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 1gpl_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEVcYSHLGc FSDEKPWAGT SQRPIKSLPD PKKINTRFLL YTNENQNSYQ DATA SEQUENCE LITTDIATIK ASNFNLNRKT RFIIHGFTDS GENSWLSDMc KNMFQVEKVN DATA SEQUENCE cICVDWKGGS KAQYSQASQN IRVVGAEVAY LVQVLSTSLN YAPENVHIIG DATA SEQUENCE HSLGAHTAGE AGKRLNGLVG RITGLDPAEP YFQDTPEEVR LDPSDAKFVD DATA SEQUENCE VIHTDISPIL PSLGFGMSQK VGHMDFFPNG GKDMPGcKTX XXXXXXXXXX DATA SEQUENCE XXXXXXXGIS cNHHRSIEYY HSSILNPEGF LGYPcASYDE FQESGcFPcP DATA SEQUENCE AKGcPKMGHF ADQYPGKTNA VEQTFFLNTG ASDNFTRWRY KVSVTLSGKK DATA SEQUENCE VTGHILVSLF GNKGNSKQYE IFKGTLKPDS THSNEFDSDV DVGDLQMVKF DATA SEQUENCE IWYNXNVINP TLPRVGASKI IVETNVGKQF NFcSPETVRE EVLLTLTPc 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.571 177.584 -0.022 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 2 E N -0.556 119.619 120.200 -0.042 0.000 2.369 2 E HA 0.734 nan 4.350 nan 0.000 0.270 2 E C -1.417 175.124 176.600 -0.098 0.000 0.909 2 E CA -1.501 54.860 56.400 -0.064 0.000 0.775 2 E CB 3.557 33.210 29.700 -0.078 0.000 1.270 2 E HN -0.137 8.197 8.360 -0.043 0.000 0.445 3 V N -4.494 115.333 119.914 -0.144 0.000 2.925 3 V HA 0.578 nan 4.120 nan 0.000 0.311 3 V C -2.268 173.590 176.094 -0.394 0.000 1.104 3 V CA -1.986 60.137 62.300 -0.295 0.000 0.954 3 V CB 3.234 34.831 31.823 -0.377 0.000 1.022 3 V HN 0.245 8.375 8.190 -0.100 0.000 0.427 4 c N 1.684 119.975 118.600 -0.515 0.000 2.547 4 c HA 0.757 nan 4.570 nan 0.000 0.313 4 c C -1.126 172.677 174.090 -0.479 0.000 1.191 4 c CA -1.033 55.061 56.329 -0.391 0.000 1.474 4 c CB 1.788 44.171 42.510 -0.212 0.000 2.081 4 c HN 0.045 7.982 8.230 -0.488 0.000 0.476 5 Y N 3.411 123.726 120.300 0.025 0.000 2.363 5 Y HA 0.264 nan 4.550 nan 0.000 0.325 5 Y C -0.065 175.729 175.900 -0.175 0.000 0.984 5 Y CA -1.660 56.403 58.100 -0.061 0.000 1.248 5 Y CB 0.289 38.724 38.460 -0.042 0.000 1.116 5 Y HN 0.512 8.784 8.280 -0.014 0.000 0.470 6 S N 4.392 120.040 115.700 -0.087 0.000 4.101 6 S HA -0.528 nan 4.470 nan 0.000 0.538 6 S C 0.865 175.295 174.600 -0.284 0.000 1.093 6 S CA 2.476 60.531 58.200 -0.242 0.000 3.504 6 S CB -0.541 62.399 63.200 -0.433 0.000 2.218 6 S HN 0.732 9.027 8.310 -0.024 0.000 0.541 7 H N -0.394 118.602 119.070 -0.123 0.000 2.553 7 H HA 0.047 nan 4.556 nan 0.000 0.269 7 H C 0.086 175.310 175.328 -0.173 0.000 1.011 7 H CA 1.020 56.946 56.048 -0.203 0.000 1.150 7 H CB -0.574 28.936 29.762 -0.421 0.000 1.339 7 H HN 0.222 7.540 8.280 -1.602 0.000 0.604 8 L N -2.052 119.103 121.223 -0.113 0.000 2.585 8 L HA 0.046 nan 4.340 nan 0.000 0.226 8 L C -0.332 176.517 176.870 -0.034 0.000 1.113 8 L CA 0.166 55.039 54.840 0.054 0.000 0.876 8 L CB 0.364 42.565 42.059 0.236 0.000 1.072 8 L HN -0.009 8.017 8.230 -0.199 0.085 0.468 9 G N -2.279 106.465 108.800 -0.094 0.000 2.593 9 G HA2 -0.390 nan 3.960 nan 0.000 0.237 9 G HA3 -0.390 nan 3.960 nan 0.000 0.237 9 G C -2.323 172.387 174.900 -0.316 0.000 1.312 9 G CA -0.589 44.386 45.100 -0.208 0.000 0.896 9 G HN -0.716 7.486 8.290 -0.078 0.041 0.574 10 c N 0.696 119.029 118.600 -0.445 0.000 2.401 10 c HA 0.935 nan 4.570 nan 0.000 0.356 10 c C -0.601 173.015 174.090 -0.790 0.000 1.192 10 c CA -0.544 55.527 56.329 -0.429 0.000 2.028 10 c CB 1.265 43.623 42.510 -0.253 0.000 2.344 10 c HN -0.189 7.803 8.230 -0.395 0.000 0.525 11 F N -0.215 119.591 119.950 -0.241 0.000 2.561 11 F HA 0.345 nan 4.527 nan 0.000 0.313 11 F C -1.335 174.319 175.800 -0.244 0.000 1.126 11 F CA -1.261 56.569 58.000 -0.283 0.000 0.918 11 F CB 3.583 42.420 39.000 -0.271 0.000 1.199 11 F HN 0.722 8.998 8.300 -0.039 0.000 0.444 12 S N 1.022 116.654 115.700 -0.112 0.000 2.681 12 S HA 0.593 nan 4.470 nan 0.000 0.299 12 S C -0.290 174.303 174.600 -0.012 0.000 1.113 12 S CA -2.685 55.486 58.200 -0.047 0.000 1.013 12 S CB 1.666 64.864 63.200 -0.003 0.000 1.076 12 S HN 0.331 8.494 8.310 -0.244 0.000 0.534 13 D N 0.603 121.028 120.400 0.042 0.000 2.424 13 D HA 0.279 nan 4.640 nan 0.000 0.220 13 D C 0.115 176.485 176.300 0.117 0.000 1.150 13 D CA -1.488 52.562 54.000 0.083 0.000 0.831 13 D CB -0.038 40.792 40.800 0.049 0.000 0.981 13 D HN -0.083 8.303 8.370 0.028 0.000 0.500 14 E N 1.115 121.399 120.200 0.140 0.000 2.314 14 E HA 0.086 nan 4.350 nan 0.000 0.262 14 E C -0.536 176.166 176.600 0.169 0.000 1.093 14 E CA -0.553 55.920 56.400 0.122 0.000 0.908 14 E CB 1.531 31.288 29.700 0.096 0.000 1.091 14 E HN -0.221 8.129 8.360 0.141 0.095 0.425 15 K N -0.718 119.723 120.400 0.068 0.000 2.380 15 K HA -0.020 nan 4.320 nan 0.000 0.267 15 K C -0.865 175.701 176.600 -0.057 0.000 0.990 15 K CA -0.818 55.463 56.287 -0.009 0.000 0.946 15 K CB -0.733 31.737 32.500 -0.050 0.000 0.937 15 K HN 0.228 8.504 8.250 0.043 0.000 0.491 16 P HA 0.122 nan 4.420 nan 0.000 0.255 16 P C -0.609 176.460 177.300 -0.385 0.000 1.301 16 P CA 0.013 62.898 63.100 -0.360 0.000 0.817 16 P CB 0.251 31.670 31.700 -0.469 0.000 1.259 17 W N 0.065 121.330 121.300 -0.058 0.000 2.678 17 W HA -0.272 nan 4.660 nan 0.000 0.256 17 W C -0.975 175.507 176.519 -0.062 0.000 1.280 17 W CA 1.300 58.614 57.345 -0.052 0.000 1.345 17 W CB 0.223 29.680 29.460 -0.005 0.000 1.118 17 W HN -0.275 7.834 8.180 0.031 0.089 0.629 18 A N -5.674 117.219 122.820 0.123 0.000 2.544 18 A HA 0.336 nan 4.320 nan 0.000 0.291 18 A C -1.123 176.458 177.584 -0.005 0.000 1.055 18 A CA -0.250 51.814 52.037 0.046 0.000 0.651 18 A CB 1.820 20.881 19.000 0.102 0.000 1.296 18 A HN -0.969 7.199 8.150 0.088 0.036 0.431 19 G N -2.939 105.845 108.800 -0.026 0.000 2.153 19 G HA2 -0.433 nan 3.960 nan 0.000 0.252 19 G HA3 -0.433 nan 3.960 nan 0.000 0.252 19 G C -0.993 173.868 174.900 -0.065 0.000 0.994 19 G CA 0.728 45.809 45.100 -0.032 0.000 0.698 19 G HN 0.028 8.305 8.290 -0.022 0.000 0.521 20 T N -4.076 110.409 114.554 -0.114 0.000 2.919 20 T HA 0.395 nan 4.350 nan 0.000 0.282 20 T C -0.580 174.029 174.700 -0.151 0.000 1.020 20 T CA -1.905 60.118 62.100 -0.129 0.000 0.994 20 T CB 2.265 71.036 68.868 -0.162 0.000 1.180 20 T HN -0.576 7.436 8.240 -0.144 0.142 0.566 21 S N -0.749 114.871 115.700 -0.133 0.000 2.406 21 S HA -0.232 nan 4.470 nan 0.000 0.228 21 S C 0.635 175.127 174.600 -0.180 0.000 1.020 21 S CA 2.827 60.953 58.200 -0.124 0.000 0.965 21 S CB 0.005 63.153 63.200 -0.086 0.000 0.798 21 S HN 0.327 8.566 8.310 -0.118 0.000 0.488 22 Q N 0.682 120.344 119.800 -0.231 0.000 2.096 22 Q HA -0.101 nan 4.340 nan 0.000 0.197 22 Q C -0.402 175.220 176.000 -0.630 0.000 0.964 22 Q CA 2.364 57.980 55.803 -0.311 0.000 0.838 22 Q CB 0.379 28.957 28.738 -0.267 0.000 0.906 22 Q HN -0.151 7.973 8.270 -0.208 0.021 0.444 23 R N -2.654 117.441 120.500 -0.676 0.000 2.629 23 R HA 0.425 nan 4.340 nan 0.000 0.277 23 R C -1.541 174.465 176.300 -0.489 0.000 1.637 23 R CA -2.482 52.966 56.100 -1.087 0.000 1.663 23 R CB -0.226 29.667 30.300 -0.678 0.000 1.228 23 R HN -0.391 7.615 8.270 -0.440 0.000 0.632 24 P HA -0.175 nan 4.420 nan 0.000 0.215 24 P C -0.387 176.912 177.300 -0.003 0.000 1.157 24 P CA 1.969 65.001 63.100 -0.113 0.000 0.863 24 P CB 0.385 32.046 31.700 -0.066 0.000 0.787 25 I N 0.849 121.482 120.570 0.104 0.000 2.505 25 I HA -0.217 nan 4.170 nan 0.000 0.287 25 I C -0.656 175.527 176.117 0.110 0.000 1.104 25 I CA 0.215 61.590 61.300 0.125 0.000 1.387 25 I CB -0.154 37.946 38.000 0.165 0.000 1.404 25 I HN -0.698 7.626 8.210 0.191 0.000 0.528 26 K N 8.247 128.686 120.400 0.065 0.000 2.349 26 K HA -0.042 nan 4.320 nan 0.000 0.289 26 K C -1.302 175.329 176.600 0.052 0.000 1.064 26 K CA 0.645 56.966 56.287 0.056 0.000 0.947 26 K CB 0.473 32.995 32.500 0.037 0.000 1.007 26 K HN 0.355 8.635 8.250 0.051 0.000 0.478 27 S N 2.284 118.017 115.700 0.055 0.000 2.588 27 S HA 0.203 nan 4.470 nan 0.000 0.269 27 S C -2.324 172.288 174.600 0.021 0.000 1.157 27 S CA -0.839 57.380 58.200 0.032 0.000 0.824 27 S CB 1.341 64.556 63.200 0.025 0.000 1.126 27 S HN 0.190 8.542 8.310 0.071 0.000 0.464 28 L N 0.905 122.129 121.223 0.001 0.000 2.333 28 L HA 0.563 nan 4.340 nan 0.000 0.269 28 L C -1.417 175.425 176.870 -0.046 0.000 1.010 28 L CA -3.449 51.380 54.840 -0.020 0.000 0.818 28 L CB 2.008 44.062 42.059 -0.009 0.000 1.306 28 L HN 0.362 8.593 8.230 0.001 0.000 0.430 29 P HA -0.029 nan 4.420 nan 0.000 0.317 29 P C -0.859 176.390 177.300 -0.086 0.000 1.316 29 P CA -0.461 62.539 63.100 -0.167 0.000 0.744 29 P CB 0.809 32.265 31.700 -0.407 0.000 1.521 30 D N -1.120 119.115 120.400 -0.276 0.000 2.225 30 D HA 0.395 nan 4.640 nan 0.000 0.248 30 D C -0.148 175.838 176.300 -0.523 0.000 1.096 30 D CA -2.724 50.947 54.000 -0.547 0.000 0.863 30 D CB 1.743 42.408 40.800 -0.225 0.000 1.156 30 D HN -0.343 7.946 8.370 -0.136 0.000 0.450 31 P HA -0.273 nan 4.420 nan 0.000 0.217 31 P C 0.859 178.026 177.300 -0.222 0.000 1.148 31 P CA 2.200 65.058 63.100 -0.404 0.000 0.834 31 P CB 0.354 31.826 31.700 -0.382 0.000 0.783 32 K N -3.251 117.030 120.400 -0.199 0.000 2.217 32 K HA -0.200 nan 4.320 nan 0.000 0.202 32 K C 1.533 178.079 176.600 -0.089 0.000 1.051 32 K CA 2.486 58.706 56.287 -0.112 0.000 0.952 32 K CB -0.113 32.336 32.500 -0.086 0.000 0.736 32 K HN -0.424 7.903 8.250 -0.256 -0.230 0.453 33 K N -0.527 119.809 120.400 -0.106 0.000 2.137 33 K HA -0.119 nan 4.320 nan 0.000 0.202 33 K C 1.492 178.059 176.600 -0.054 0.000 1.052 33 K CA 1.873 58.118 56.287 -0.071 0.000 0.961 33 K CB 0.304 32.762 32.500 -0.070 0.000 0.741 33 K HN -0.485 7.564 8.250 -0.150 0.111 0.452 34 I N -2.581 117.946 120.570 -0.072 0.000 2.353 34 I HA -0.363 nan 4.170 nan 0.000 0.248 34 I C -0.119 175.997 176.117 -0.001 0.000 1.119 34 I CA 1.681 62.974 61.300 -0.011 0.000 1.417 34 I CB 0.477 38.455 38.000 -0.037 0.000 1.078 34 I HN -0.326 7.809 8.210 -0.125 0.000 0.421 35 N N -1.004 117.667 118.700 -0.048 0.000 2.688 35 N HA -0.450 nan 4.740 nan 0.000 0.258 35 N C -0.932 174.544 175.510 -0.057 0.000 1.016 35 N CA 0.127 53.147 53.050 -0.049 0.000 0.747 35 N CB -0.507 37.956 38.487 -0.040 0.000 0.895 35 N HN -0.133 8.089 8.380 -0.078 0.111 0.543 36 T N 0.567 115.070 114.554 -0.085 0.000 2.829 36 T HA -0.064 nan 4.350 nan 0.000 0.293 36 T C 0.006 174.501 174.700 -0.342 0.000 0.970 36 T CA 1.647 63.640 62.100 -0.179 0.000 1.168 36 T CB -0.309 68.427 68.868 -0.222 0.000 0.911 36 T HN -0.053 8.139 8.240 -0.080 0.000 0.535 37 R N 5.625 125.893 120.500 -0.387 0.000 2.711 37 R HA 0.531 nan 4.340 nan 0.000 0.284 37 R C -1.068 174.885 176.300 -0.578 0.000 0.968 37 R CA -1.880 53.983 56.100 -0.395 0.000 0.924 37 R CB 3.514 33.690 30.300 -0.207 0.000 1.162 37 R HN 0.794 8.780 8.270 -0.278 0.117 0.465 38 F N 1.113 121.044 119.950 -0.032 0.000 2.347 38 F HA 0.458 nan 4.527 nan 0.000 0.366 38 F C -1.095 174.623 175.800 -0.136 0.000 1.107 38 F CA -1.581 56.404 58.000 -0.025 0.000 1.058 38 F CB 0.488 39.512 39.000 0.039 0.000 1.236 38 F HN 0.413 8.695 8.300 -0.031 0.000 0.456 39 L N 3.408 124.586 121.223 -0.074 0.000 2.259 39 L HA 0.496 nan 4.340 nan 0.000 0.288 39 L C -1.344 175.429 176.870 -0.163 0.000 1.051 39 L CA -1.157 53.482 54.840 -0.334 0.000 0.824 39 L CB -0.284 41.392 42.059 -0.638 0.000 1.206 39 L HN 0.942 9.167 8.230 -0.009 0.000 0.429 40 L N 6.349 127.494 121.223 -0.130 0.000 2.292 40 L HA 0.473 nan 4.340 nan 0.000 0.284 40 L C -2.080 174.691 176.870 -0.166 0.000 1.065 40 L CA -0.922 53.885 54.840 -0.054 0.000 0.806 40 L CB 2.068 44.146 42.059 0.032 0.000 1.175 40 L HN 0.708 8.777 8.230 -0.096 0.103 0.431 41 Y N 5.298 125.708 120.300 0.184 0.000 2.425 41 Y HA 0.528 nan 4.550 nan 0.000 0.344 41 Y C -1.601 174.443 175.900 0.241 0.000 0.969 41 Y CA -1.471 56.783 58.100 0.256 0.000 1.052 41 Y CB 3.789 42.502 38.460 0.423 0.000 1.215 41 Y HN 0.834 9.291 8.280 0.295 0.000 0.451 42 T N -2.519 112.067 114.554 0.054 0.000 2.864 42 T HA 0.491 nan 4.350 nan 0.000 0.289 42 T C 0.761 174.906 174.700 -0.925 0.000 1.082 42 T CA -2.555 59.384 62.100 -0.269 0.000 1.009 42 T CB 3.068 71.845 68.868 -0.152 0.000 1.234 42 T HN 0.114 8.369 8.240 0.025 0.000 0.526 43 N N 0.974 119.183 118.700 -0.819 0.000 2.289 43 N HA -0.247 nan 4.740 nan 0.000 0.184 43 N C 0.925 176.193 175.510 -0.403 0.000 1.016 43 N CA 3.206 55.824 53.050 -0.721 0.000 0.872 43 N CB -0.009 38.299 38.487 -0.300 0.000 0.973 43 N HN 0.560 8.655 8.380 -0.476 0.000 0.433 44 E N -2.428 117.605 120.200 -0.278 0.000 2.442 44 E HA -0.007 nan 4.350 nan 0.000 0.195 44 E C -0.537 175.991 176.600 -0.121 0.000 1.030 44 E CA 0.479 56.786 56.400 -0.155 0.000 0.869 44 E CB 0.232 29.871 29.700 -0.102 0.000 0.857 44 E HN -0.397 7.756 8.360 -0.281 0.038 0.505 45 N N -2.415 116.202 118.700 -0.138 0.000 2.710 45 N HA 0.215 nan 4.740 nan 0.000 0.244 45 N C -0.245 175.288 175.510 0.039 0.000 1.321 45 N CA -0.362 52.664 53.050 -0.039 0.000 0.758 45 N CB 0.784 39.261 38.487 -0.017 0.000 1.284 45 N HN -0.558 7.560 8.380 -0.224 0.127 0.530 46 Q N 1.994 121.807 119.800 0.021 0.000 2.376 46 Q HA -0.096 nan 4.340 nan 0.000 0.206 46 Q C 0.021 176.175 176.000 0.256 0.000 0.921 46 Q CA 2.278 58.172 55.803 0.152 0.000 0.911 46 Q CB -0.005 28.775 28.738 0.070 0.000 1.032 46 Q HN 0.604 8.860 8.270 -0.022 0.000 0.510 47 N N -2.860 115.950 118.700 0.185 0.000 2.387 47 N HA 0.025 nan 4.740 nan 0.000 0.176 47 N C -0.332 175.312 175.510 0.223 0.000 1.022 47 N CA 0.944 54.090 53.050 0.160 0.000 0.883 47 N CB 0.616 39.148 38.487 0.075 0.000 1.019 47 N HN -0.017 8.438 8.380 0.125 0.000 0.435 48 S N -0.952 114.852 115.700 0.173 0.000 2.521 48 S HA 0.165 nan 4.470 nan 0.000 0.295 48 S C -1.404 173.134 174.600 -0.102 0.000 1.098 48 S CA -1.097 57.108 58.200 0.008 0.000 0.999 48 S CB 1.648 64.772 63.200 -0.127 0.000 1.034 48 S HN -0.519 7.874 8.310 0.138 0.000 0.483 49 Y N -0.596 119.542 120.300 -0.271 0.000 2.299 49 Y HA 0.177 nan 4.550 nan 0.000 0.335 49 Y C -0.472 175.261 175.900 -0.279 0.000 1.287 49 Y CA -1.757 55.959 58.100 -0.640 0.000 1.424 49 Y CB 0.442 38.371 38.460 -0.885 0.000 1.326 49 Y HN 0.011 7.902 8.280 -0.648 0.000 0.567 50 Q N -0.079 119.760 119.800 0.065 0.000 2.331 50 Q HA 0.319 nan 4.340 nan 0.000 0.267 50 Q C -1.188 174.880 176.000 0.113 0.000 1.006 50 Q CA -1.629 54.224 55.803 0.084 0.000 0.818 50 Q CB 3.051 31.802 28.738 0.020 0.000 1.276 50 Q HN 0.349 8.470 8.270 -0.059 0.114 0.450 51 L N 3.682 124.987 121.223 0.138 0.000 2.367 51 L HA 0.373 nan 4.340 nan 0.000 0.275 51 L C -0.239 176.665 176.870 0.056 0.000 1.129 51 L CA 0.103 54.989 54.840 0.075 0.000 0.839 51 L CB 0.478 42.590 42.059 0.088 0.000 1.133 51 L HN 0.458 8.776 8.230 0.147 0.000 0.453 52 I N 0.341 120.954 120.570 0.072 0.000 2.689 52 I HA 0.732 nan 4.170 nan 0.000 0.299 52 I C -1.881 174.306 176.117 0.117 0.000 1.059 52 I CA -1.909 59.419 61.300 0.048 0.000 1.055 52 I CB 3.564 41.548 38.000 -0.026 0.000 1.243 52 I HN 0.174 8.444 8.210 0.101 0.000 0.425 53 T N -1.347 113.246 114.554 0.065 0.000 2.538 53 T HA 0.450 nan 4.350 nan 0.000 0.237 53 T C 1.249 175.959 174.700 0.018 0.000 0.818 53 T CA -0.819 61.352 62.100 0.118 0.000 1.193 53 T CB 1.390 70.322 68.868 0.106 0.000 1.497 53 T HN 0.249 8.493 8.240 0.008 0.000 0.503 54 T N -2.194 112.409 114.554 0.083 0.000 7.178 54 T HA -0.389 nan 4.350 nan 0.000 0.357 54 T C -0.092 174.627 174.700 0.033 0.000 1.049 54 T CA 1.934 64.087 62.100 0.089 0.000 2.323 54 T CB -1.138 67.808 68.868 0.131 0.000 2.774 54 T HN 0.440 8.759 8.240 0.131 0.000 1.213 55 D N 0.965 121.364 120.400 -0.002 0.000 2.411 55 D HA 0.233 nan 4.640 nan 0.000 0.239 55 D C -0.276 175.998 176.300 -0.045 0.000 1.307 55 D CA -0.974 53.019 54.000 -0.011 0.000 0.930 55 D CB 1.331 42.135 40.800 0.007 0.000 1.395 55 D HN -0.546 7.813 8.370 -0.018 0.000 0.536 56 I N 4.031 124.562 120.570 -0.066 0.000 2.502 56 I HA -0.434 nan 4.170 nan 0.000 0.258 56 I C 0.282 176.354 176.117 -0.075 0.000 1.172 56 I CA 1.910 63.153 61.300 -0.095 0.000 1.430 56 I CB 0.332 38.275 38.000 -0.095 0.000 1.086 56 I HN 0.321 8.497 8.210 -0.057 0.000 0.440 57 A N -1.452 121.340 122.820 -0.046 0.000 1.940 57 A HA -0.393 nan 4.320 nan 0.000 0.219 57 A C 1.599 179.163 177.584 -0.034 0.000 1.176 57 A CA 3.325 55.342 52.037 -0.033 0.000 0.631 57 A CB -1.012 17.977 19.000 -0.018 0.000 0.814 57 A HN -0.288 7.930 8.150 -0.038 -0.091 0.446 58 T N -2.807 111.726 114.554 -0.035 0.000 2.746 58 T HA -0.319 nan 4.350 nan 0.000 0.267 58 T C 2.008 176.677 174.700 -0.051 0.000 1.039 58 T CA 3.274 65.357 62.100 -0.028 0.000 1.142 58 T CB -0.551 68.308 68.868 -0.015 0.000 0.866 58 T HN -0.284 7.925 8.240 -0.035 0.010 0.444 59 I N 0.869 121.378 120.570 -0.101 0.000 2.394 59 I HA -0.436 nan 4.170 nan 0.000 0.251 59 I C 2.234 178.289 176.117 -0.104 0.000 1.136 59 I CA 3.259 64.457 61.300 -0.169 0.000 1.425 59 I CB -0.364 37.444 38.000 -0.320 0.000 1.079 59 I HN -0.653 7.418 8.210 -0.106 0.076 0.425 60 K N -0.226 120.133 120.400 -0.069 0.000 2.243 60 K HA -0.157 nan 4.320 nan 0.000 0.201 60 K C 1.212 177.809 176.600 -0.005 0.000 1.051 60 K CA 2.584 58.854 56.287 -0.029 0.000 0.970 60 K CB -0.079 32.403 32.500 -0.030 0.000 0.755 60 K HN -0.119 7.975 8.250 -0.074 0.111 0.465 61 A N -1.052 121.763 122.820 -0.009 0.000 2.208 61 A HA 0.030 nan 4.320 nan 0.000 0.209 61 A C -0.147 177.440 177.584 0.006 0.000 1.161 61 A CA 0.830 52.867 52.037 -0.001 0.000 0.782 61 A CB 0.134 19.131 19.000 -0.004 0.000 0.816 61 A HN -0.245 7.894 8.150 -0.020 0.000 0.477 62 S N -0.392 115.316 115.700 0.014 0.000 2.713 62 S HA 0.080 nan 4.470 nan 0.000 0.277 62 S C 0.119 174.745 174.600 0.043 0.000 1.168 62 S CA -0.926 57.291 58.200 0.028 0.000 0.994 62 S CB 1.821 65.045 63.200 0.040 0.000 1.054 62 S HN -0.585 7.667 8.310 0.008 0.063 0.555 63 N N 0.476 119.198 118.700 0.036 0.000 2.449 63 N HA 0.010 nan 4.740 nan 0.000 0.191 63 N C -0.928 174.596 175.510 0.023 0.000 1.161 63 N CA 0.385 53.442 53.050 0.012 0.000 0.863 63 N CB 0.294 38.765 38.487 -0.026 0.000 0.980 63 N HN 0.229 9.062 8.380 0.031 -0.435 0.458 64 F N 1.382 121.285 119.950 -0.078 0.000 2.623 64 F HA -0.270 nan 4.527 nan 0.000 0.383 64 F C -1.784 173.957 175.800 -0.098 0.000 1.077 64 F CA 1.404 59.337 58.000 -0.112 0.000 1.268 64 F CB 0.544 39.450 39.000 -0.156 0.000 1.053 64 F HN -0.817 7.518 8.300 0.196 0.082 0.571 65 N N 6.134 124.516 118.700 -0.530 0.000 2.407 65 N HA 0.085 nan 4.740 nan 0.000 0.277 65 N C -0.019 175.309 175.510 -0.304 0.000 0.995 65 N CA -0.929 51.964 53.050 -0.262 0.000 0.903 65 N CB 1.853 40.225 38.487 -0.192 0.000 1.218 65 N HN 0.013 7.897 8.380 -1.091 -0.158 0.487 66 L N 3.924 125.143 121.223 -0.006 0.000 2.551 66 L HA -0.218 nan 4.340 nan 0.000 0.228 66 L C 0.411 177.419 176.870 0.231 0.000 1.153 66 L CA 1.520 56.479 54.840 0.199 0.000 0.851 66 L CB -0.131 42.088 42.059 0.267 0.000 0.959 66 L HN 0.619 8.880 8.230 0.052 0.000 0.451 67 N N -3.381 115.374 118.700 0.092 0.000 2.280 67 N HA 0.041 nan 4.740 nan 0.000 0.192 67 N C -0.552 174.992 175.510 0.058 0.000 1.109 67 N CA 0.297 53.392 53.050 0.076 0.000 0.855 67 N CB 1.134 39.647 38.487 0.043 0.000 0.974 67 N HN -0.377 8.279 8.380 0.030 -0.258 0.482 68 R N -1.417 119.106 120.500 0.037 0.000 2.732 68 R HA 0.249 nan 4.340 nan 0.000 0.278 68 R C -1.207 175.141 176.300 0.079 0.000 0.976 68 R CA -1.515 54.597 56.100 0.020 0.000 0.963 68 R CB 2.341 32.611 30.300 -0.051 0.000 1.150 68 R HN -0.751 7.465 8.270 0.007 0.059 0.478 69 K N 1.156 121.609 120.400 0.089 0.000 2.219 69 K HA 0.288 nan 4.320 nan 0.000 0.258 69 K C -0.989 175.683 176.600 0.120 0.000 1.008 69 K CA 0.347 56.718 56.287 0.140 0.000 0.928 69 K CB 1.144 33.706 32.500 0.102 0.000 0.983 69 K HN 0.456 8.747 8.250 0.069 0.000 0.484 70 T N 4.062 118.732 114.554 0.194 0.000 2.812 70 T HA 0.639 nan 4.350 nan 0.000 0.282 70 T C -1.634 173.137 174.700 0.118 0.000 0.990 70 T CA -0.294 61.860 62.100 0.089 0.000 0.960 70 T CB 1.517 70.478 68.868 0.156 0.000 0.948 70 T HN 0.310 8.713 8.240 0.273 0.000 0.438 71 R N 3.956 124.461 120.500 0.008 0.000 2.439 71 R HA 0.846 nan 4.340 nan 0.000 0.310 71 R C -1.183 175.072 176.300 -0.076 0.000 0.955 71 R CA -1.749 54.377 56.100 0.043 0.000 0.853 71 R CB 3.166 33.506 30.300 0.066 0.000 1.171 71 R HN 0.790 9.026 8.270 -0.056 0.000 0.449 72 F N 3.804 123.751 119.950 -0.004 0.000 2.397 72 F HA 0.777 nan 4.527 nan 0.000 0.331 72 F C -0.903 174.871 175.800 -0.043 0.000 1.090 72 F CA -0.680 57.333 58.000 0.022 0.000 1.065 72 F CB 2.846 41.875 39.000 0.048 0.000 1.184 72 F HN 0.855 9.362 8.300 0.346 0.000 0.499 73 I N 1.793 122.466 120.570 0.172 0.000 2.439 73 I HA 0.583 nan 4.170 nan 0.000 0.285 73 I C -1.492 174.695 176.117 0.116 0.000 1.021 73 I CA -0.560 60.789 61.300 0.081 0.000 1.091 73 I CB 1.776 39.771 38.000 -0.007 0.000 1.242 73 I HN 1.024 9.359 8.210 0.208 0.000 0.439 74 I N 6.370 127.026 120.570 0.143 0.000 2.362 74 I HA 0.509 nan 4.170 nan 0.000 0.289 74 I C -0.941 175.346 176.117 0.283 0.000 0.994 74 I CA -1.525 59.864 61.300 0.149 0.000 1.158 74 I CB 0.868 38.914 38.000 0.077 0.000 1.315 74 I HN 0.958 9.248 8.210 0.133 0.000 0.451 75 H N 5.662 124.951 119.070 0.365 0.000 2.548 75 H HA 0.194 nan 4.556 nan 0.000 0.366 75 H C -0.607 175.029 175.328 0.514 0.000 1.433 75 H CA -1.277 55.060 56.048 0.481 0.000 1.443 75 H CB 0.813 30.708 29.762 0.223 0.000 1.594 75 H HN -0.107 8.214 8.280 0.067 0.000 0.608 76 G N -3.300 105.898 108.800 0.663 0.000 3.211 76 G HA2 0.163 nan 3.960 nan 0.000 0.167 76 G HA3 0.163 nan 3.960 nan 0.000 0.167 76 G C -2.080 173.103 174.900 0.471 0.000 1.212 76 G CA -1.843 43.593 45.100 0.561 0.000 0.928 76 G HN -0.116 8.616 8.290 0.737 0.000 0.607 77 F N 1.767 121.871 119.950 0.256 0.000 2.623 77 F HA -0.337 nan 4.527 nan 0.000 0.383 77 F C 0.621 176.449 175.800 0.046 0.000 1.077 77 F CA 0.501 58.581 58.000 0.133 0.000 1.268 77 F CB 0.359 39.482 39.000 0.204 0.000 1.053 77 F HN -0.529 8.122 8.300 0.585 0.000 0.571 78 T N 2.719 116.954 114.554 -0.532 0.000 8.089 78 T HA -0.514 nan 4.350 nan 0.000 0.315 78 T C -0.797 173.710 174.700 -0.322 0.000 2.025 78 T CA 1.467 63.238 62.100 -0.549 0.000 3.021 78 T CB -1.286 67.185 68.868 -0.660 0.000 2.356 78 T HN 0.334 8.325 8.240 -0.415 0.000 1.220 79 D N 2.006 122.256 120.400 -0.249 0.000 2.506 79 D HA 0.271 nan 4.640 nan 0.000 0.272 79 D C -1.509 174.291 176.300 -0.834 0.000 1.214 79 D CA -0.984 52.828 54.000 -0.314 0.000 1.067 79 D CB 2.822 43.627 40.800 0.009 0.000 1.117 79 D HN -0.519 7.649 8.370 -0.150 0.113 0.578 80 S N -2.518 112.620 115.700 -0.936 0.000 2.540 80 S HA 0.296 nan 4.470 nan 0.000 0.275 80 S C 0.781 174.945 174.600 -0.726 0.000 1.123 80 S CA -2.508 55.138 58.200 -0.924 0.000 0.907 80 S CB 2.431 65.380 63.200 -0.420 0.000 1.081 80 S HN -0.136 7.814 8.310 -0.601 0.000 0.476 81 G N 3.266 111.874 108.800 -0.320 0.000 2.625 81 G HA2 -0.023 nan 3.960 nan 0.000 0.214 81 G HA3 -0.023 nan 3.960 nan 0.000 0.214 81 G C -0.139 174.668 174.900 -0.156 0.000 1.132 81 G CA 1.276 46.353 45.100 -0.038 0.000 0.782 81 G HN 0.589 9.036 8.290 -0.242 -0.302 0.538 82 E N -2.343 117.753 120.200 -0.174 0.000 2.476 82 E HA 0.098 nan 4.350 nan 0.000 0.196 82 E C -0.628 175.899 176.600 -0.122 0.000 1.029 82 E CA -0.764 55.584 56.400 -0.087 0.000 0.896 82 E CB 0.499 30.186 29.700 -0.023 0.000 1.012 82 E HN -0.803 7.353 8.360 -0.218 0.073 0.475 83 N N 0.997 119.555 118.700 -0.237 0.000 2.492 83 N HA -0.043 nan 4.740 nan 0.000 0.262 83 N C 1.590 176.953 175.510 -0.246 0.000 1.202 83 N CA 0.412 53.331 53.050 -0.218 0.000 0.926 83 N CB 1.168 39.518 38.487 -0.228 0.000 1.078 83 N HN -0.582 7.441 8.380 -0.313 0.170 0.454 84 S N 7.041 122.679 115.700 -0.103 0.000 2.407 84 S HA -0.304 nan 4.470 nan 0.000 0.235 84 S C 1.801 176.367 174.600 -0.056 0.000 1.036 84 S CA 3.046 61.207 58.200 -0.065 0.000 1.013 84 S CB -0.474 62.721 63.200 -0.008 0.000 0.820 84 S HN 0.374 8.649 8.310 -0.058 0.000 0.476 85 W N 0.310 121.564 121.300 -0.076 0.000 2.350 85 W HA -0.291 nan 4.660 nan 0.000 0.289 85 W C 1.064 177.519 176.519 -0.108 0.000 1.215 85 W CA 1.458 58.736 57.345 -0.112 0.000 1.236 85 W CB -0.641 28.785 29.460 -0.058 0.000 1.130 85 W HN -0.687 7.723 8.180 0.129 -0.153 0.541 86 L N 0.720 121.544 121.223 -0.666 0.000 2.007 86 L HA -0.454 nan 4.340 nan 0.000 0.205 86 L C 2.353 179.052 176.870 -0.285 0.000 1.073 86 L CA 3.802 58.266 54.840 -0.626 0.000 0.744 86 L CB -0.298 41.322 42.059 -0.732 0.000 0.898 86 L HN -0.302 7.399 8.230 -0.842 0.023 0.435 87 S N -1.037 114.495 115.700 -0.280 0.000 2.399 87 S HA -0.407 nan 4.470 nan 0.000 0.231 87 S C 2.421 176.846 174.600 -0.291 0.000 1.022 87 S CA 3.550 61.500 58.200 -0.416 0.000 0.983 87 S CB -0.716 62.221 63.200 -0.439 0.000 0.803 87 S HN -0.534 7.617 8.310 -0.264 0.000 0.480 88 D N 3.366 123.683 120.400 -0.139 0.000 2.144 88 D HA -0.209 nan 4.640 nan 0.000 0.200 88 D C 1.895 178.245 176.300 0.083 0.000 0.978 88 D CA 3.071 57.058 54.000 -0.022 0.000 0.833 88 D CB -0.564 40.223 40.800 -0.022 0.000 0.961 88 D HN 0.183 8.459 8.370 -0.133 0.015 0.470 89 M N 0.556 120.204 119.600 0.079 0.000 2.175 89 M HA -0.336 nan 4.480 nan 0.000 0.264 89 M C 1.868 178.104 176.300 -0.106 0.000 1.063 89 M CA 3.810 59.215 55.300 0.175 0.000 1.119 89 M CB 0.081 32.812 32.600 0.219 0.000 1.377 89 M HN -0.477 7.740 8.290 0.023 0.086 0.415 90 c N -0.564 117.875 118.600 -0.268 0.000 2.432 90 c HA -0.460 nan 4.570 nan 0.000 0.277 90 c C 1.938 175.471 174.090 -0.928 0.000 1.249 90 c CA 4.210 60.166 56.329 -0.622 0.000 1.725 90 c CB -1.980 40.183 42.510 -0.578 0.000 2.028 90 c HN -0.245 7.771 8.230 -0.222 0.080 0.477 91 K N -0.680 119.451 120.400 -0.448 0.000 2.063 91 K HA -0.455 nan 4.320 nan 0.000 0.208 91 K C 2.477 179.000 176.600 -0.128 0.000 1.048 91 K CA 3.627 59.818 56.287 -0.161 0.000 0.928 91 K CB -0.387 32.112 32.500 -0.002 0.000 0.713 91 K HN 0.145 8.135 8.250 -0.315 0.071 0.442 92 N N -0.387 118.224 118.700 -0.148 0.000 2.120 92 N HA -0.248 nan 4.740 nan 0.000 0.188 92 N C 2.175 177.566 175.510 -0.198 0.000 1.024 92 N CA 2.648 55.593 53.050 -0.176 0.000 0.852 92 N CB -0.160 38.132 38.487 -0.327 0.000 1.003 92 N HN -0.353 7.964 8.380 -0.104 0.000 0.424 93 M N -0.057 119.357 119.600 -0.310 0.000 2.080 93 M HA -0.474 nan 4.480 nan 0.000 0.260 93 M C 2.067 178.326 176.300 -0.068 0.000 1.068 93 M CA 4.348 59.484 55.300 -0.273 0.000 1.109 93 M CB 0.095 32.493 32.600 -0.336 0.000 1.342 93 M HN -0.403 7.598 8.290 -0.361 0.072 0.405 94 F N -5.369 114.582 119.950 0.001 0.000 2.307 94 F HA -0.300 nan 4.527 nan 0.000 0.301 94 F C 1.019 176.830 175.800 0.019 0.000 1.076 94 F CA 1.182 59.191 58.000 0.016 0.000 1.383 94 F CB -1.289 37.719 39.000 0.013 0.000 1.055 94 F HN -0.297 7.698 8.300 -0.507 0.000 0.526 95 Q N -2.745 117.147 119.800 0.152 0.000 2.172 95 Q HA -0.113 nan 4.340 nan 0.000 0.200 95 Q C 1.401 177.460 176.000 0.098 0.000 0.964 95 Q CA 1.798 57.662 55.803 0.101 0.000 0.855 95 Q CB 0.766 29.535 28.738 0.052 0.000 0.918 95 Q HN -0.463 7.694 8.270 0.082 0.162 0.444 96 V N -8.174 111.802 119.914 0.103 0.000 3.643 96 V HA 0.301 nan 4.120 nan 0.000 0.280 96 V C -0.662 175.536 176.094 0.173 0.000 1.351 96 V CA -0.298 62.087 62.300 0.142 0.000 1.073 96 V CB 0.837 32.781 31.823 0.201 0.000 0.863 96 V HN -0.447 7.678 8.190 0.076 0.111 0.436 97 E N -1.916 118.386 120.200 0.170 0.000 2.422 97 E HA 0.166 nan 4.350 nan 0.000 0.280 97 E C -2.230 174.480 176.600 0.184 0.000 1.091 97 E CA -1.545 54.958 56.400 0.172 0.000 0.849 97 E CB 2.549 32.364 29.700 0.192 0.000 1.353 97 E HN -0.205 8.259 8.360 0.172 0.000 0.449 98 K N -0.226 120.259 120.400 0.141 0.000 2.253 98 K HA 0.391 nan 4.320 nan 0.000 0.277 98 K C -1.739 174.936 176.600 0.126 0.000 1.053 98 K CA -1.211 55.146 56.287 0.116 0.000 0.892 98 K CB -0.145 32.389 32.500 0.056 0.000 1.102 98 K HN 0.153 8.474 8.250 0.119 0.000 0.469 99 V N 3.242 123.264 119.914 0.179 0.000 3.178 99 V HA 0.430 nan 4.120 nan 0.000 0.302 99 V C -2.066 174.108 176.094 0.133 0.000 1.262 99 V CA -1.966 60.422 62.300 0.147 0.000 1.030 99 V CB 4.426 36.355 31.823 0.178 0.000 1.074 99 V HN 0.243 8.859 8.190 0.240 -0.282 0.438 100 N N 4.742 123.424 118.700 -0.028 0.000 2.426 100 N HA 0.267 nan 4.740 nan 0.000 0.257 100 N C -2.077 173.437 175.510 0.008 0.000 1.002 100 N CA -0.139 52.845 53.050 -0.109 0.000 0.942 100 N CB 1.769 39.961 38.487 -0.492 0.000 1.112 100 N HN 0.222 8.563 8.380 -0.065 0.000 0.499 101 c N 5.967 124.663 118.600 0.161 0.000 2.271 101 c HA 0.688 nan 4.570 nan 0.000 0.323 101 c C -1.597 172.553 174.090 0.100 0.000 1.245 101 c CA -1.981 54.411 56.329 0.105 0.000 1.548 101 c CB 0.175 42.748 42.510 0.106 0.000 2.214 101 c HN 1.001 9.404 8.230 0.289 0.000 0.477 102 I N 8.713 129.235 120.570 -0.080 0.000 2.339 102 I HA 0.483 nan 4.170 nan 0.000 0.290 102 I C -1.528 174.646 176.117 0.096 0.000 0.994 102 I CA -1.270 59.999 61.300 -0.051 0.000 1.191 102 I CB 2.450 40.230 38.000 -0.366 0.000 1.343 102 I HN 1.044 9.031 8.210 -0.193 0.108 0.458 103 C N 8.694 128.084 119.300 0.149 0.000 2.285 103 C HA 0.464 nan 4.460 nan 0.000 0.335 103 C C -0.276 174.790 174.990 0.127 0.000 1.267 103 C CA -0.766 58.320 59.018 0.113 0.000 1.762 103 C CB -0.927 26.869 27.740 0.094 0.000 2.365 103 C HN 0.738 8.958 8.230 0.151 0.101 0.527 104 V N 6.239 126.252 119.914 0.164 0.000 2.368 104 V HA 0.111 nan 4.120 nan 0.000 0.266 104 V C -1.193 174.957 176.094 0.094 0.000 1.045 104 V CA -0.268 62.095 62.300 0.106 0.000 0.899 104 V CB -0.091 31.835 31.823 0.172 0.000 1.006 104 V HN 0.746 9.033 8.190 0.162 0.000 0.470 105 D N 8.449 128.847 120.400 -0.003 0.000 2.396 105 D HA 0.230 nan 4.640 nan 0.000 0.225 105 D C -0.759 175.639 176.300 0.164 0.000 1.121 105 D CA -1.354 52.703 54.000 0.096 0.000 0.853 105 D CB 0.849 41.613 40.800 -0.061 0.000 1.043 105 D HN 0.548 8.729 8.370 -0.144 0.102 0.500 106 W N 3.588 124.970 121.300 0.137 0.000 1.658 106 W HA 0.553 nan 4.660 nan 0.000 0.325 106 W C -0.598 175.999 176.519 0.130 0.000 0.833 106 W CA -2.521 54.832 57.345 0.013 0.000 2.665 106 W CB -0.654 28.738 29.460 -0.113 0.000 1.615 106 W HN 0.170 8.682 8.180 0.554 0.000 0.589 107 K N 1.796 122.158 120.400 -0.063 0.000 2.280 107 K HA -0.252 nan 4.320 nan 0.000 0.202 107 K C 1.508 178.037 176.600 -0.119 0.000 1.047 107 K CA 3.149 59.305 56.287 -0.218 0.000 0.942 107 K CB -1.220 31.140 32.500 -0.233 0.000 0.739 107 K HN -0.680 7.754 8.250 -0.003 -0.185 0.457 108 G N -1.860 106.925 108.800 -0.025 0.000 2.448 108 G HA2 -0.179 nan 3.960 nan 0.000 0.219 108 G HA3 -0.179 nan 3.960 nan 0.000 0.219 108 G C 0.099 175.019 174.900 0.033 0.000 1.127 108 G CA 1.268 46.365 45.100 -0.005 0.000 0.766 108 G HN -0.331 7.929 8.290 0.005 0.032 0.552 109 G N -2.493 106.384 108.800 0.129 0.000 3.079 109 G HA2 0.302 nan 3.960 nan 0.000 0.233 109 G HA3 0.302 nan 3.960 nan 0.000 0.233 109 G C 0.729 175.769 174.900 0.233 0.000 1.062 109 G CA -0.360 44.878 45.100 0.230 0.000 0.809 109 G HN -0.404 7.847 8.290 0.172 0.142 0.535 110 S N 1.330 116.934 115.700 -0.162 0.000 2.470 110 S HA -0.120 nan 4.470 nan 0.000 0.225 110 S C 1.346 175.891 174.600 -0.092 0.000 1.006 110 S CA 2.596 60.547 58.200 -0.414 0.000 0.934 110 S CB 0.273 62.882 63.200 -0.984 0.000 0.778 110 S HN -0.459 7.597 8.310 -0.232 0.115 0.517 111 K N 0.283 120.620 120.400 -0.106 0.000 2.417 111 K HA -0.009 nan 4.320 nan 0.000 0.196 111 K C -0.337 176.273 176.600 0.016 0.000 1.023 111 K CA -0.412 55.811 56.287 -0.107 0.000 1.122 111 K CB -0.150 32.266 32.500 -0.140 0.000 0.850 111 K HN -0.569 7.614 8.250 -0.112 0.000 0.521 112 A N -0.061 122.824 122.820 0.109 0.000 2.292 112 A HA 0.001 nan 4.320 nan 0.000 0.265 112 A C -1.066 176.652 177.584 0.223 0.000 1.133 112 A CA -0.555 51.553 52.037 0.118 0.000 0.807 112 A CB 1.126 20.183 19.000 0.094 0.000 1.102 112 A HN -0.840 7.304 8.150 0.125 0.082 0.502 113 Q N -2.087 117.799 119.800 0.143 0.000 2.417 113 Q HA 0.022 nan 4.340 nan 0.000 0.241 113 Q C 0.989 177.024 176.000 0.060 0.000 1.008 113 Q CA -0.475 55.427 55.803 0.164 0.000 0.901 113 Q CB 0.905 29.687 28.738 0.074 0.000 1.259 113 Q HN 0.008 8.328 8.270 0.083 0.000 0.489 114 Y N 3.534 123.726 120.300 -0.179 0.000 2.069 114 Y HA -0.531 nan 4.550 nan 0.000 0.278 114 Y C 1.321 176.880 175.900 -0.568 0.000 1.175 114 Y CA 3.913 61.626 58.100 -0.645 0.000 1.134 114 Y CB -0.135 37.917 38.460 -0.679 0.000 0.965 114 Y HN 0.525 8.914 8.280 0.182 0.000 0.498 115 S N -3.695 111.702 115.700 -0.505 0.000 2.419 115 S HA -0.479 nan 4.470 nan 0.000 0.235 115 S C 2.050 176.435 174.600 -0.359 0.000 1.019 115 S CA 2.483 60.301 58.200 -0.638 0.000 0.982 115 S CB -0.745 62.319 63.200 -0.228 0.000 0.789 115 S HN 0.006 8.176 8.310 -0.234 0.000 0.490 116 Q N 2.127 121.794 119.800 -0.222 0.000 2.089 116 Q HA -0.127 nan 4.340 nan 0.000 0.195 116 Q C 1.780 177.716 176.000 -0.106 0.000 0.963 116 Q CA 1.976 57.712 55.803 -0.110 0.000 0.834 116 Q CB -0.189 28.529 28.738 -0.033 0.000 0.906 116 Q HN -0.470 7.553 8.270 -0.193 0.130 0.452 117 A N -0.566 122.190 122.820 -0.107 0.000 1.978 117 A HA -0.313 nan 4.320 nan 0.000 0.220 117 A C 2.345 179.876 177.584 -0.088 0.000 1.170 117 A CA 3.025 55.083 52.037 0.036 0.000 0.636 117 A CB -0.863 18.216 19.000 0.132 0.000 0.810 117 A HN 0.476 8.552 8.150 -0.124 0.000 0.448 118 S N -2.847 112.633 115.700 -0.366 0.000 2.423 118 S HA -0.230 nan 4.470 nan 0.000 0.231 118 S C 2.498 177.070 174.600 -0.047 0.000 1.014 118 S CA 3.703 61.761 58.200 -0.236 0.000 0.965 118 S CB -0.285 62.598 63.200 -0.527 0.000 0.785 118 S HN 0.011 7.958 8.310 -0.576 0.017 0.495 119 Q N 1.446 121.193 119.800 -0.089 0.000 2.163 119 Q HA -0.078 nan 4.340 nan 0.000 0.198 119 Q C 2.361 178.276 176.000 -0.142 0.000 0.954 119 Q CA 2.152 57.912 55.803 -0.071 0.000 0.851 119 Q CB -0.202 28.496 28.738 -0.067 0.000 0.928 119 Q HN -0.453 7.598 8.270 -0.139 0.135 0.459 120 N N 1.523 120.150 118.700 -0.122 0.000 2.205 120 N HA -0.276 nan 4.740 nan 0.000 0.186 120 N C 2.195 177.521 175.510 -0.307 0.000 1.015 120 N CA 3.041 55.997 53.050 -0.157 0.000 0.862 120 N CB -0.441 38.063 38.487 0.029 0.000 0.986 120 N HN 0.121 8.454 8.380 -0.079 0.000 0.429 121 I N -3.601 116.760 120.570 -0.349 0.000 2.614 121 I HA -0.327 nan 4.170 nan 0.000 0.258 121 I C 0.991 176.938 176.117 -0.283 0.000 1.189 121 I CA 2.953 63.950 61.300 -0.505 0.000 1.462 121 I CB -0.742 37.021 38.000 -0.395 0.000 1.092 121 I HN -0.591 7.466 8.210 -0.212 0.026 0.442 122 R N -0.143 120.244 120.500 -0.187 0.000 2.081 122 R HA -0.334 nan 4.340 nan 0.000 0.235 122 R C 2.490 178.720 176.300 -0.116 0.000 1.131 122 R CA 3.616 59.657 56.100 -0.098 0.000 0.960 122 R CB -0.632 29.573 30.300 -0.157 0.000 0.856 122 R HN -0.344 7.670 8.270 -0.187 0.144 0.436 123 V N 0.117 119.820 119.914 -0.351 0.000 2.323 123 V HA -0.225 nan 4.120 nan 0.000 0.244 123 V C 1.991 177.975 176.094 -0.183 0.000 1.041 123 V CA 4.076 66.185 62.300 -0.317 0.000 1.025 123 V CB -0.541 31.021 31.823 -0.434 0.000 0.656 123 V HN -0.637 7.308 8.190 -0.408 0.000 0.451 124 V N -0.582 119.160 119.914 -0.287 0.000 2.295 124 V HA -0.418 nan 4.120 nan 0.000 0.246 124 V C 1.876 177.854 176.094 -0.193 0.000 1.049 124 V CA 4.686 66.796 62.300 -0.317 0.000 1.024 124 V CB -1.285 30.112 31.823 -0.711 0.000 0.648 124 V HN -0.144 7.828 8.190 -0.363 0.000 0.447 125 G N -1.769 106.922 108.800 -0.182 0.000 2.440 125 G HA2 -0.393 nan 3.960 nan 0.000 0.218 125 G HA3 -0.393 nan 3.960 nan 0.000 0.218 125 G C 0.544 175.444 174.900 0.000 0.000 1.154 125 G CA 2.252 47.299 45.100 -0.088 0.000 0.767 125 G HN 0.486 8.520 8.290 -0.233 0.117 0.552 126 A N 1.269 124.124 122.820 0.058 0.000 1.930 126 A HA -0.219 nan 4.320 nan 0.000 0.217 126 A C 2.278 179.953 177.584 0.152 0.000 1.175 126 A CA 2.887 55.000 52.037 0.127 0.000 0.627 126 A CB -0.750 18.388 19.000 0.230 0.000 0.815 126 A HN -0.286 7.893 8.150 0.049 0.000 0.443 127 E N -1.526 118.754 120.200 0.132 0.000 2.077 127 E HA -0.325 nan 4.350 nan 0.000 0.193 127 E C 2.582 179.362 176.600 0.300 0.000 0.989 127 E CA 3.360 59.896 56.400 0.227 0.000 0.800 127 E CB -0.143 29.647 29.700 0.149 0.000 0.746 127 E HN -0.134 8.076 8.360 0.065 0.189 0.452 128 V N -0.055 119.973 119.914 0.190 0.000 2.295 128 V HA -0.341 nan 4.120 nan 0.000 0.246 128 V C 1.864 177.892 176.094 -0.111 0.000 1.049 128 V CA 4.276 66.593 62.300 0.030 0.000 1.024 128 V CB -0.935 30.811 31.823 -0.129 0.000 0.648 128 V HN 0.130 8.308 8.190 0.105 0.075 0.447 129 A N -0.237 122.567 122.820 -0.027 0.000 1.908 129 A HA -0.320 nan 4.320 nan 0.000 0.218 129 A C 1.461 179.074 177.584 0.050 0.000 1.181 129 A CA 3.290 55.324 52.037 -0.005 0.000 0.627 129 A CB -0.719 18.305 19.000 0.040 0.000 0.818 129 A HN 0.135 8.288 8.150 0.005 0.000 0.445 130 Y N -0.240 120.053 120.300 -0.011 0.000 2.181 130 Y HA -0.332 nan 4.550 nan 0.000 0.288 130 Y C 1.508 177.364 175.900 -0.072 0.000 1.146 130 Y CA 2.777 60.869 58.100 -0.014 0.000 1.164 130 Y CB 0.189 38.676 38.460 0.045 0.000 0.982 130 Y HN -0.211 8.214 8.280 0.242 0.000 0.515 131 L N -1.008 120.110 121.223 -0.175 0.000 2.046 131 L HA -0.368 nan 4.340 nan 0.000 0.208 131 L C 1.960 178.667 176.870 -0.271 0.000 1.077 131 L CA 3.180 57.809 54.840 -0.352 0.000 0.747 131 L CB -0.494 41.228 42.059 -0.560 0.000 0.896 131 L HN -0.414 7.801 8.230 -0.025 0.000 0.432 132 V N -0.807 119.002 119.914 -0.174 0.000 2.343 132 V HA -0.566 nan 4.120 nan 0.000 0.247 132 V C 2.237 178.292 176.094 -0.064 0.000 1.051 132 V CA 4.480 66.746 62.300 -0.057 0.000 1.036 132 V CB -0.998 30.798 31.823 -0.044 0.000 0.654 132 V HN -0.182 7.893 8.190 -0.191 0.000 0.451 133 Q N -0.591 119.145 119.800 -0.105 0.000 2.061 133 Q HA -0.399 nan 4.340 nan 0.000 0.204 133 Q C 2.160 178.056 176.000 -0.174 0.000 0.984 133 Q CA 3.909 59.653 55.803 -0.098 0.000 0.846 133 Q CB -0.159 28.548 28.738 -0.052 0.000 0.902 133 Q HN 0.122 8.328 8.270 -0.107 0.000 0.421 134 V N 0.423 120.134 119.914 -0.339 0.000 2.515 134 V HA -0.352 nan 4.120 nan 0.000 0.250 134 V C 2.119 178.089 176.094 -0.207 0.000 1.058 134 V CA 4.422 66.520 62.300 -0.337 0.000 1.064 134 V CB -0.837 30.684 31.823 -0.503 0.000 0.675 134 V HN 0.050 7.970 8.190 -0.450 0.000 0.461 135 L N -1.699 119.419 121.223 -0.175 0.000 2.056 135 L HA -0.455 nan 4.340 nan 0.000 0.207 135 L C 1.980 178.875 176.870 0.042 0.000 1.078 135 L CA 3.620 58.403 54.840 -0.097 0.000 0.749 135 L CB -0.598 41.426 42.059 -0.057 0.000 0.901 135 L HN -0.108 7.907 8.230 -0.195 0.098 0.433 136 S N -1.084 114.641 115.700 0.041 0.000 2.344 136 S HA -0.392 nan 4.470 nan 0.000 0.217 136 S C 2.268 176.879 174.600 0.018 0.000 1.033 136 S CA 3.950 62.181 58.200 0.052 0.000 1.017 136 S CB 0.079 63.295 63.200 0.026 0.000 0.941 136 S HN 0.195 8.507 8.310 0.004 0.000 0.430 137 T N 3.143 117.686 114.554 -0.018 0.000 2.684 137 T HA -0.233 nan 4.350 nan 0.000 0.267 137 T C 2.046 176.729 174.700 -0.027 0.000 1.036 137 T CA 3.660 65.745 62.100 -0.025 0.000 1.148 137 T CB -0.055 68.788 68.868 -0.042 0.000 0.863 137 T HN -0.006 8.212 8.240 -0.036 0.000 0.436 138 S N -1.469 114.200 115.700 -0.052 0.000 2.492 138 S HA 0.110 nan 4.470 nan 0.000 0.218 138 S C 0.351 174.931 174.600 -0.033 0.000 1.016 138 S CA 2.792 60.962 58.200 -0.050 0.000 0.916 138 S CB 1.275 64.425 63.200 -0.082 0.000 0.791 138 S HN 0.081 8.228 8.310 -0.078 0.116 0.513 139 L N -1.583 119.628 121.223 -0.021 0.000 2.766 139 L HA 0.090 nan 4.340 nan 0.000 0.242 139 L C -0.795 176.129 176.870 0.091 0.000 1.136 139 L CA -0.435 54.415 54.840 0.017 0.000 0.933 139 L CB 0.380 42.422 42.059 -0.029 0.000 1.241 139 L HN -0.724 7.491 8.230 -0.025 0.000 0.522 140 N N -4.909 113.835 118.700 0.074 0.000 2.693 140 N HA -0.425 nan 4.740 nan 0.000 0.249 140 N C -1.178 174.414 175.510 0.136 0.000 1.119 140 N CA 1.410 54.508 53.050 0.080 0.000 0.717 140 N CB -1.240 37.283 38.487 0.060 0.000 1.071 140 N HN -0.451 7.901 8.380 0.041 0.053 0.555 141 Y N 0.084 120.406 120.300 0.036 0.000 2.425 141 Y HA -0.110 nan 4.550 nan 0.000 0.347 141 Y C -1.659 174.278 175.900 0.062 0.000 0.976 141 Y CA -0.631 57.514 58.100 0.076 0.000 1.190 141 Y CB 0.603 39.142 38.460 0.132 0.000 1.136 141 Y HN -0.534 7.861 8.280 0.242 0.031 0.517 142 A N 9.089 131.752 122.820 -0.262 0.000 2.477 142 A HA 0.225 nan 4.320 nan 0.000 0.246 142 A C -0.644 176.831 177.584 -0.182 0.000 1.078 142 A CA -2.147 49.783 52.037 -0.179 0.000 0.770 142 A CB -0.557 18.350 19.000 -0.155 0.000 1.011 142 A HN 0.445 8.403 8.150 -0.320 0.000 0.494 143 P HA -0.151 nan 4.420 nan 0.000 0.222 143 P C 0.518 177.838 177.300 0.034 0.000 1.147 143 P CA 2.040 65.165 63.100 0.041 0.000 0.790 143 P CB -0.151 31.577 31.700 0.047 0.000 0.780 144 E N -3.215 116.978 120.200 -0.012 0.000 2.333 144 E HA -0.239 nan 4.350 nan 0.000 0.198 144 E C 0.699 177.298 176.600 -0.002 0.000 1.007 144 E CA 2.150 58.551 56.400 0.003 0.000 0.845 144 E CB -1.754 27.937 29.700 -0.015 0.000 0.766 144 E HN 0.484 8.787 8.360 -0.035 0.037 0.507 145 N N -1.928 116.735 118.700 -0.062 0.000 2.370 145 N HA 0.077 nan 4.740 nan 0.000 0.198 145 N C -1.539 174.058 175.510 0.145 0.000 1.156 145 N CA 0.083 53.107 53.050 -0.044 0.000 0.839 145 N CB 0.850 39.147 38.487 -0.316 0.000 0.989 145 N HN -0.542 7.709 8.380 -0.134 0.048 0.468 146 V N -0.596 119.435 119.914 0.196 0.000 2.513 146 V HA 0.478 nan 4.120 nan 0.000 0.299 146 V C -2.132 174.149 176.094 0.311 0.000 1.035 146 V CA -1.211 61.284 62.300 0.326 0.000 0.889 146 V CB 2.286 34.334 31.823 0.375 0.000 0.988 146 V HN -0.208 7.870 8.190 0.134 0.191 0.440 147 H N 6.722 125.928 119.070 0.225 0.000 2.600 147 H HA 0.741 nan 4.556 nan 0.000 0.357 147 H C -1.986 173.472 175.328 0.217 0.000 1.106 147 H CA -2.740 53.403 56.048 0.158 0.000 1.193 147 H CB 3.674 33.499 29.762 0.105 0.000 1.594 147 H HN 0.478 9.018 8.280 0.433 0.000 0.526 148 I N 6.178 126.825 120.570 0.128 0.000 2.436 148 I HA 0.490 nan 4.170 nan 0.000 0.289 148 I C -1.595 174.413 176.117 -0.182 0.000 1.010 148 I CA -1.099 60.202 61.300 0.003 0.000 1.098 148 I CB 2.709 40.708 38.000 -0.002 0.000 1.266 148 I HN 0.740 9.118 8.210 0.280 0.000 0.434 149 I N 6.683 127.106 120.570 -0.244 0.000 2.354 149 I HA 0.647 nan 4.170 nan 0.000 0.292 149 I C -1.343 174.715 176.117 -0.099 0.000 0.989 149 I CA -1.121 60.012 61.300 -0.278 0.000 1.188 149 I CB 1.771 39.523 38.000 -0.414 0.000 1.342 149 I HN 1.094 9.104 8.210 -0.141 0.115 0.457 150 G N 5.213 113.957 108.800 -0.094 0.000 2.662 150 G HA2 0.622 nan 3.960 nan 0.000 0.302 150 G HA3 0.622 nan 3.960 nan 0.000 0.302 150 G C -2.995 171.915 174.900 0.016 0.000 1.389 150 G CA -0.826 44.273 45.100 -0.002 0.000 0.998 150 G HN 0.635 8.834 8.290 -0.152 0.000 0.502 151 H N 4.989 124.073 119.070 0.024 0.000 2.459 151 H HA 0.605 nan 4.556 nan 0.000 0.332 151 H C -0.464 174.895 175.328 0.053 0.000 1.094 151 H CA -1.638 54.377 56.048 -0.056 0.000 1.224 151 H CB 2.976 32.662 29.762 -0.126 0.000 1.449 151 H HN 0.307 8.781 8.280 0.324 0.000 0.484 152 S N 5.833 121.282 115.700 -0.418 0.000 4.116 152 S HA -0.457 nan 4.470 nan 0.000 0.623 152 S C 1.126 175.710 174.600 -0.028 0.000 1.933 152 S CA 2.167 60.285 58.200 -0.137 0.000 4.224 152 S CB -0.730 62.473 63.200 0.005 0.000 0.208 152 S HN 0.522 8.574 8.310 -0.430 0.000 0.527 153 L N 3.687 125.005 121.223 0.158 0.000 2.187 153 L HA -0.202 nan 4.340 nan 0.000 0.213 153 L C 1.618 178.517 176.870 0.048 0.000 1.100 153 L CA 2.343 57.270 54.840 0.145 0.000 0.765 153 L CB -0.474 41.799 42.059 0.357 0.000 0.904 153 L HN 0.355 8.750 8.230 0.276 0.000 0.437 154 G N -2.602 106.275 108.800 0.129 0.000 2.470 154 G HA2 -0.345 nan 3.960 nan 0.000 0.220 154 G HA3 -0.345 nan 3.960 nan 0.000 0.220 154 G C 0.283 175.133 174.900 -0.083 0.000 1.121 154 G CA 1.838 46.976 45.100 0.063 0.000 0.766 154 G HN 0.128 8.461 8.290 0.216 0.086 0.553 155 A N 1.689 124.390 122.820 -0.199 0.000 1.873 155 A HA -0.242 nan 4.320 nan 0.000 0.215 155 A C 1.607 178.978 177.584 -0.356 0.000 1.186 155 A CA 3.108 54.947 52.037 -0.330 0.000 0.616 155 A CB -0.687 18.003 19.000 -0.516 0.000 0.823 155 A HN -0.124 7.749 8.150 -0.196 0.160 0.442 156 H N -2.711 116.193 119.070 -0.276 0.000 2.462 156 H HA -0.171 nan 4.556 nan 0.000 0.292 156 H C 2.672 177.891 175.328 -0.181 0.000 1.049 156 H CA 3.247 59.110 56.048 -0.308 0.000 1.334 156 H CB -0.435 28.880 29.762 -0.745 0.000 1.404 156 H HN -0.399 7.555 8.280 -0.544 0.000 0.544 157 T N 2.317 116.809 114.554 -0.104 0.000 2.708 157 T HA -0.308 nan 4.350 nan 0.000 0.266 157 T C 1.569 176.203 174.700 -0.111 0.000 1.037 157 T CA 5.137 67.142 62.100 -0.158 0.000 1.146 157 T CB -0.600 68.091 68.868 -0.295 0.000 0.865 157 T HN 0.318 8.398 8.240 -0.133 0.080 0.435 158 A N 0.471 123.227 122.820 -0.107 0.000 1.940 158 A HA -0.266 nan 4.320 nan 0.000 0.219 158 A C 1.846 179.399 177.584 -0.053 0.000 1.176 158 A CA 3.023 55.006 52.037 -0.089 0.000 0.631 158 A CB -0.847 18.100 19.000 -0.088 0.000 0.814 158 A HN -0.068 8.010 8.150 -0.119 0.000 0.446 159 G N -1.847 106.932 108.800 -0.034 0.000 2.418 159 G HA2 -0.379 nan 3.960 nan 0.000 0.217 159 G HA3 -0.379 nan 3.960 nan 0.000 0.217 159 G C 1.536 176.465 174.900 0.048 0.000 1.158 159 G CA 2.116 47.226 45.100 0.017 0.000 0.771 159 G HN -0.264 7.904 8.290 -0.059 0.086 0.545 160 E N 2.330 122.563 120.200 0.056 0.000 2.051 160 E HA -0.338 nan 4.350 nan 0.000 0.192 160 E C 2.360 178.985 176.600 0.041 0.000 0.991 160 E CA 3.002 59.450 56.400 0.081 0.000 0.799 160 E CB -0.272 29.472 29.700 0.073 0.000 0.748 160 E HN 0.049 8.345 8.360 0.038 0.086 0.449 161 A N -1.525 121.291 122.820 -0.007 0.000 1.933 161 A HA -0.189 nan 4.320 nan 0.000 0.218 161 A C 2.462 180.037 177.584 -0.014 0.000 1.175 161 A CA 2.816 54.835 52.037 -0.030 0.000 0.628 161 A CB -0.600 18.341 19.000 -0.098 0.000 0.814 161 A HN 0.181 8.314 8.150 -0.029 0.000 0.444 162 G N -2.103 106.694 108.800 -0.004 0.000 2.404 162 G HA2 -0.377 nan 3.960 nan 0.000 0.215 162 G HA3 -0.377 nan 3.960 nan 0.000 0.215 162 G C 1.130 176.049 174.900 0.032 0.000 1.174 162 G CA 1.464 46.573 45.100 0.015 0.000 0.780 162 G HN 0.117 8.217 8.290 -0.009 0.184 0.537 163 K N 2.258 122.685 120.400 0.045 0.000 2.063 163 K HA -0.341 nan 4.320 nan 0.000 0.208 163 K C 2.839 179.468 176.600 0.049 0.000 1.048 163 K CA 3.039 59.360 56.287 0.056 0.000 0.928 163 K CB -0.073 32.477 32.500 0.083 0.000 0.713 163 K HN 0.066 8.344 8.250 0.046 0.000 0.442 164 R N -2.208 118.320 120.500 0.046 0.000 2.285 164 R HA -0.194 nan 4.340 nan 0.000 0.213 164 R C 0.895 177.216 176.300 0.035 0.000 1.068 164 R CA 2.233 58.357 56.100 0.040 0.000 1.004 164 R CB -0.012 30.315 30.300 0.044 0.000 0.873 164 R HN -0.232 8.066 8.270 0.048 0.000 0.467 165 L N -2.159 119.082 121.223 0.030 0.000 2.769 165 L HA 0.154 nan 4.340 nan 0.000 0.240 165 L C -1.063 175.826 176.870 0.031 0.000 1.163 165 L CA -1.205 53.651 54.840 0.027 0.000 0.962 165 L CB -0.836 41.234 42.059 0.018 0.000 1.258 165 L HN -0.786 7.275 8.230 0.030 0.187 0.513 166 N N -0.910 117.811 118.700 0.034 0.000 2.735 166 N HA -0.352 nan 4.740 nan 0.000 0.248 166 N C 0.537 176.072 175.510 0.041 0.000 1.083 166 N CA 1.070 54.142 53.050 0.036 0.000 0.703 166 N CB -1.932 36.574 38.487 0.031 0.000 1.005 166 N HN 0.019 8.222 8.380 0.035 0.199 0.550 167 G N -6.222 102.605 108.800 0.046 0.000 2.168 167 G HA2 -0.444 nan 3.960 nan 0.000 0.257 167 G HA3 -0.444 nan 3.960 nan 0.000 0.257 167 G C 0.024 174.960 174.900 0.061 0.000 0.997 167 G CA 0.811 45.946 45.100 0.057 0.000 0.708 167 G HN 0.365 8.681 8.290 0.043 0.000 0.520 168 L N -1.289 119.964 121.223 0.049 0.000 2.492 168 L HA 0.007 nan 4.340 nan 0.000 0.223 168 L C 0.277 177.179 176.870 0.053 0.000 1.132 168 L CA 0.306 55.174 54.840 0.046 0.000 0.850 168 L CB 0.400 42.479 42.059 0.034 0.000 0.966 168 L HN -0.752 7.452 8.230 0.043 0.052 0.454 169 V N -1.129 118.821 119.914 0.060 0.000 2.763 169 V HA -0.279 nan 4.120 nan 0.000 0.306 169 V C 1.368 177.519 176.094 0.094 0.000 1.059 169 V CA 1.680 64.026 62.300 0.076 0.000 1.138 169 V CB -0.436 31.427 31.823 0.067 0.000 0.940 169 V HN -0.702 7.473 8.190 0.054 0.048 0.489 170 G N 5.263 114.127 108.800 0.106 0.000 2.480 170 G HA2 -0.230 nan 3.960 nan 0.000 0.216 170 G HA3 -0.230 nan 3.960 nan 0.000 0.216 170 G C -1.486 173.493 174.900 0.131 0.000 1.200 170 G CA 1.925 47.087 45.100 0.103 0.000 0.782 170 G HN 0.108 8.467 8.290 0.116 0.000 0.554 171 R N -2.235 118.353 120.500 0.148 0.000 2.680 171 R HA 0.588 nan 4.340 nan 0.000 0.269 171 R C -2.489 173.933 176.300 0.204 0.000 1.026 171 R CA -0.736 55.443 56.100 0.131 0.000 0.889 171 R CB 3.659 33.952 30.300 -0.011 0.000 1.241 171 R HN -0.595 7.783 8.270 0.181 0.000 0.463 172 I N 3.620 124.241 120.570 0.085 0.000 2.466 172 I HA 0.463 nan 4.170 nan 0.000 0.289 172 I C -2.192 173.913 176.117 -0.019 0.000 1.026 172 I CA -1.211 60.125 61.300 0.060 0.000 1.078 172 I CB 3.671 41.663 38.000 -0.013 0.000 1.249 172 I HN 0.395 8.593 8.210 -0.019 0.000 0.429 173 T N 9.294 123.855 114.554 0.012 0.000 2.770 173 T HA 0.509 nan 4.350 nan 0.000 0.283 173 T C -0.983 173.620 174.700 -0.162 0.000 0.988 173 T CA -1.014 61.047 62.100 -0.066 0.000 0.957 173 T CB 1.187 70.052 68.868 -0.005 0.000 0.930 173 T HN 0.759 9.004 8.240 0.009 0.000 0.443 174 G N 4.510 113.194 108.800 -0.193 0.000 2.319 174 G HA2 0.721 nan 3.960 nan 0.000 0.308 174 G HA3 0.721 nan 3.960 nan 0.000 0.308 174 G C -2.442 172.303 174.900 -0.260 0.000 1.117 174 G CA -1.194 43.761 45.100 -0.242 0.000 0.903 174 G HN 0.290 8.469 8.290 -0.185 0.000 0.436 175 L N 5.829 126.917 121.223 -0.224 0.000 2.288 175 L HA 0.168 nan 4.340 nan 0.000 0.283 175 L C -0.956 175.824 176.870 -0.149 0.000 1.072 175 L CA -1.004 53.722 54.840 -0.190 0.000 0.862 175 L CB 0.028 41.980 42.059 -0.178 0.000 1.245 175 L HN 0.872 8.984 8.230 -0.197 0.000 0.432 176 D N 3.465 123.729 120.400 -0.226 0.000 2.803 176 D HA -0.306 nan 4.640 nan 0.000 0.233 176 D C -2.266 173.957 176.300 -0.128 0.000 1.182 176 D CA 0.430 54.333 54.000 -0.161 0.000 0.726 176 D CB -0.475 40.312 40.800 -0.020 0.000 0.987 176 D HN 0.043 8.235 8.370 -0.295 0.000 0.412 177 P HA -0.124 nan 4.420 nan 0.000 0.262 177 P C -1.166 176.135 177.300 0.002 0.000 1.182 177 P CA -0.228 62.710 63.100 -0.270 0.000 0.761 177 P CB 0.331 31.777 31.700 -0.424 0.000 0.795 178 A N 3.702 126.574 122.820 0.088 0.000 2.561 178 A HA -0.221 nan 4.320 nan 0.000 0.234 178 A C 1.137 178.973 177.584 0.419 0.000 1.055 178 A CA 0.650 52.858 52.037 0.284 0.000 0.756 178 A CB 0.459 19.679 19.000 0.367 0.000 0.986 178 A HN -0.055 7.956 8.150 -0.054 0.107 0.505 179 E N 3.571 123.964 120.200 0.321 0.000 2.057 179 E HA 0.146 nan 4.350 nan 0.000 0.190 179 E C -1.983 174.805 176.600 0.313 0.000 0.969 179 E CA 2.443 59.020 56.400 0.295 0.000 0.812 179 E CB -0.629 29.190 29.700 0.198 0.000 0.777 179 E HN 0.299 8.804 8.360 0.242 0.000 0.455 180 P HA -0.037 nan 4.420 nan 0.000 0.268 180 P C -0.730 176.891 177.300 0.536 0.000 1.204 180 P CA 1.386 64.658 63.100 0.286 0.000 0.768 180 P CB -0.362 31.345 31.700 0.012 0.000 0.842 181 Y N -3.311 116.978 120.300 -0.018 0.000 4.936 181 Y HA -0.488 nan 4.550 nan 0.000 0.260 181 Y C -0.361 175.046 175.900 -0.821 0.000 0.928 181 Y CA 2.907 60.775 58.100 -0.387 0.000 1.869 181 Y CB -2.027 36.134 38.460 -0.498 0.000 1.344 181 Y HN 0.527 8.916 8.280 0.182 0.000 0.521 182 F N -3.551 116.420 119.950 0.035 0.000 2.784 182 F HA 0.161 nan 4.527 nan 0.000 0.316 182 F C -0.099 175.676 175.800 -0.042 0.000 1.026 182 F CA 0.174 58.101 58.000 -0.122 0.000 1.188 182 F CB 2.384 41.137 39.000 -0.412 0.000 0.999 182 F HN -0.543 7.769 8.300 0.159 0.083 0.605 183 Q N 1.801 121.706 119.800 0.175 0.000 2.297 183 Q HA -0.204 nan 4.340 nan 0.000 0.267 183 Q C -0.186 175.837 176.000 0.039 0.000 1.006 183 Q CA 2.066 57.946 55.803 0.128 0.000 0.896 183 Q CB 0.265 29.081 28.738 0.129 0.000 1.186 183 Q HN -0.205 8.180 8.270 0.192 0.000 0.392 184 D N 0.827 121.246 120.400 0.032 0.000 3.068 184 D HA -0.240 nan 4.640 nan 0.000 0.218 184 D C -0.840 175.424 176.300 -0.059 0.000 1.145 184 D CA 1.135 55.128 54.000 -0.011 0.000 0.896 184 D CB -0.819 39.970 40.800 -0.018 0.000 1.105 184 D HN 0.355 8.763 8.370 0.062 0.000 0.423 185 T N -4.262 110.252 114.554 -0.067 0.000 2.944 185 T HA 0.512 nan 4.350 nan 0.000 0.284 185 T C -2.418 172.212 174.700 -0.116 0.000 1.010 185 T CA -2.492 59.525 62.100 -0.139 0.000 1.025 185 T CB 1.277 70.025 68.868 -0.200 0.000 1.079 185 T HN -0.712 7.492 8.240 -0.021 0.024 0.516 186 P HA 0.139 nan 4.420 nan 0.000 0.271 186 P C 0.711 177.950 177.300 -0.102 0.000 1.233 186 P CA -0.579 62.440 63.100 -0.134 0.000 0.789 186 P CB 0.620 32.210 31.700 -0.183 0.000 0.951 187 E N 0.937 121.105 120.200 -0.053 0.000 2.171 187 E HA -0.335 nan 4.350 nan 0.000 0.197 187 E C 0.240 176.840 176.600 0.001 0.000 0.997 187 E CA 2.671 59.063 56.400 -0.012 0.000 0.810 187 E CB -0.151 29.550 29.700 0.001 0.000 0.738 187 E HN 0.520 8.850 8.360 -0.050 0.000 0.467 188 E N -3.115 117.063 120.200 -0.037 0.000 2.204 188 E HA -0.147 nan 4.350 nan 0.000 0.194 188 E C 1.193 177.814 176.600 0.036 0.000 0.989 188 E CA 1.734 58.147 56.400 0.021 0.000 0.824 188 E CB -0.619 29.093 29.700 0.020 0.000 0.756 188 E HN 0.067 8.348 8.360 -0.077 0.033 0.477 189 V N -3.352 116.449 119.914 -0.188 0.000 2.446 189 V HA -0.119 nan 4.120 nan 0.000 0.244 189 V C 0.207 176.424 176.094 0.204 0.000 1.039 189 V CA 2.284 64.480 62.300 -0.174 0.000 1.045 189 V CB 0.021 31.557 31.823 -0.479 0.000 0.681 189 V HN -0.477 7.545 8.190 -0.237 0.026 0.459 190 R N -3.122 117.472 120.500 0.155 0.000 2.856 190 R HA 0.227 nan 4.340 nan 0.000 0.258 190 R C -1.348 175.089 176.300 0.228 0.000 1.066 190 R CA -2.606 53.638 56.100 0.240 0.000 1.045 190 R CB 2.226 32.654 30.300 0.213 0.000 1.178 190 R HN -0.729 7.574 8.270 0.054 0.000 0.499 191 L N 1.555 122.976 121.223 0.331 0.000 2.453 191 L HA 0.039 nan 4.340 nan 0.000 0.272 191 L C -1.305 175.610 176.870 0.076 0.000 1.182 191 L CA 1.060 55.970 54.840 0.117 0.000 0.858 191 L CB 0.539 42.578 42.059 -0.035 0.000 1.120 191 L HN 0.035 8.674 8.230 0.681 0.000 0.474 192 D N 3.124 123.537 120.400 0.022 0.000 2.622 192 D HA 0.230 nan 4.640 nan 0.000 0.255 192 D C -1.901 174.360 176.300 -0.065 0.000 1.246 192 D CA -1.900 52.096 54.000 -0.007 0.000 0.795 192 D CB 0.698 41.506 40.800 0.014 0.000 1.369 192 D HN -0.092 8.462 8.370 0.009 -0.179 0.425 193 P HA -0.204 nan 4.420 nan 0.000 0.217 193 P C 0.842 178.064 177.300 -0.130 0.000 1.148 193 P CA 2.509 65.419 63.100 -0.316 0.000 0.828 193 P CB 0.164 31.615 31.700 -0.415 0.000 0.783 194 S N -3.198 112.482 115.700 -0.032 0.000 2.481 194 S HA -0.224 nan 4.470 nan 0.000 0.231 194 S C 0.917 175.546 174.600 0.048 0.000 0.996 194 S CA 2.404 60.624 58.200 0.033 0.000 0.942 194 S CB -0.394 62.826 63.200 0.033 0.000 0.768 194 S HN -0.364 8.137 8.310 -0.038 -0.213 0.520 195 D N 1.332 121.751 120.400 0.032 0.000 2.312 195 D HA -0.073 nan 4.640 nan 0.000 0.211 195 D C -1.467 174.865 176.300 0.053 0.000 0.964 195 D CA 1.499 55.523 54.000 0.039 0.000 0.877 195 D CB 0.229 41.045 40.800 0.026 0.000 0.924 195 D HN -0.319 7.997 8.370 0.007 0.058 0.515 196 A N -4.358 118.511 122.820 0.081 0.000 2.599 196 A HA 0.264 nan 4.320 nan 0.000 0.290 196 A C -1.223 176.472 177.584 0.186 0.000 1.101 196 A CA -0.616 51.487 52.037 0.110 0.000 0.674 196 A CB 2.430 21.486 19.000 0.092 0.000 1.277 196 A HN -0.878 7.283 8.150 0.088 0.042 0.419 197 K N -2.662 117.842 120.400 0.174 0.000 2.063 197 K HA -0.194 nan 4.320 nan 0.000 0.208 197 K C 0.130 176.897 176.600 0.279 0.000 1.048 197 K CA 1.859 58.256 56.287 0.184 0.000 0.928 197 K CB 0.749 33.320 32.500 0.119 0.000 0.713 197 K HN 0.242 8.575 8.250 0.138 0.000 0.442 198 F N -2.049 117.978 119.950 0.128 0.000 2.557 198 F HA 0.255 nan 4.527 nan 0.000 0.316 198 F C -2.702 173.264 175.800 0.277 0.000 1.141 198 F CA -1.571 56.529 58.000 0.166 0.000 0.922 198 F CB 3.435 42.446 39.000 0.018 0.000 1.194 198 F HN -0.700 7.767 8.300 0.292 0.008 0.443 199 V N 7.897 127.760 119.914 -0.086 0.000 2.443 199 V HA 0.495 nan 4.120 nan 0.000 0.293 199 V C -2.231 173.546 176.094 -0.529 0.000 1.021 199 V CA -1.473 60.619 62.300 -0.346 0.000 0.848 199 V CB 2.286 34.020 31.823 -0.147 0.000 0.998 199 V HN 0.241 8.749 8.190 0.531 0.000 0.424 200 D N 6.172 126.208 120.400 -0.607 0.000 2.391 200 D HA 0.540 nan 4.640 nan 0.000 0.245 200 D C -1.266 174.973 176.300 -0.101 0.000 1.069 200 D CA -1.990 51.861 54.000 -0.249 0.000 0.831 200 D CB 2.117 42.823 40.800 -0.157 0.000 1.204 200 D HN -0.139 7.888 8.370 -0.571 0.000 0.503 201 V N 1.740 121.658 119.914 0.006 0.000 2.495 201 V HA 0.692 nan 4.120 nan 0.000 0.298 201 V C -1.318 174.706 176.094 -0.118 0.000 1.031 201 V CA -1.227 60.992 62.300 -0.135 0.000 0.871 201 V CB 2.467 34.168 31.823 -0.204 0.000 0.988 201 V HN 0.682 8.957 8.190 0.140 0.000 0.432 202 I N 5.334 125.749 120.570 -0.259 0.000 2.359 202 I HA 0.429 nan 4.170 nan 0.000 0.284 202 I C -1.092 174.826 176.117 -0.333 0.000 1.018 202 I CA -0.913 60.266 61.300 -0.203 0.000 1.173 202 I CB 0.629 38.532 38.000 -0.160 0.000 1.326 202 I HN 0.465 8.496 8.210 -0.298 0.000 0.462 203 H N 9.618 128.504 119.070 -0.306 0.000 2.604 203 H HA 0.099 nan 4.556 nan 0.000 0.306 203 H C -0.238 175.032 175.328 -0.096 0.000 1.075 203 H CA 0.702 56.594 56.048 -0.261 0.000 1.357 203 H CB 0.283 29.725 29.762 -0.534 0.000 1.426 203 H HN 0.611 8.769 8.280 -0.202 0.000 0.470 204 T N -1.351 113.233 114.554 0.051 0.000 3.058 204 T HA 0.174 nan 4.350 nan 0.000 0.278 204 T C -0.618 174.116 174.700 0.057 0.000 0.974 204 T CA -0.692 61.441 62.100 0.056 0.000 0.893 204 T CB 1.325 70.159 68.868 -0.056 0.000 1.138 204 T HN 0.096 8.595 8.240 0.020 -0.248 0.529 205 D N 0.112 120.565 120.400 0.088 0.000 3.118 205 D HA 0.238 nan 4.640 nan 0.000 0.352 205 D C 0.461 176.815 176.300 0.090 0.000 1.498 205 D CA -0.374 53.654 54.000 0.046 0.000 0.759 205 D CB 0.705 41.502 40.800 -0.004 0.000 1.251 205 D HN -0.630 7.960 8.370 0.122 -0.148 0.504 206 I N -5.060 115.595 120.570 0.142 0.000 3.528 206 I HA -0.057 nan 4.170 nan 0.000 0.298 206 I C -0.724 175.467 176.117 0.123 0.000 1.281 206 I CA 0.656 62.057 61.300 0.169 0.000 1.269 206 I CB -1.126 37.014 38.000 0.233 0.000 1.013 206 I HN -0.197 8.105 8.210 0.154 0.000 0.512 207 S N 2.462 118.211 115.700 0.082 0.000 2.573 207 S HA 0.008 nan 4.470 nan 0.000 0.277 207 S C -1.904 172.740 174.600 0.072 0.000 1.346 207 S CA -0.538 57.699 58.200 0.062 0.000 1.034 207 S CB -0.261 62.956 63.200 0.028 0.000 0.879 207 S HN -0.534 7.704 8.310 0.062 0.108 0.528 208 P HA -0.004 nan 4.420 nan 0.000 0.276 208 P C -0.550 176.791 177.300 0.068 0.000 1.264 208 P CA -0.077 63.062 63.100 0.065 0.000 0.769 208 P CB 0.410 32.142 31.700 0.052 0.000 0.840 209 I N 2.145 122.764 120.570 0.081 0.000 2.113 209 I HA -0.402 nan 4.170 nan 0.000 0.242 209 I C 0.000 176.158 176.117 0.068 0.000 1.057 209 I CA 2.944 64.299 61.300 0.091 0.000 1.314 209 I CB -0.162 37.875 38.000 0.062 0.000 1.022 209 I HN 0.220 8.481 8.210 0.084 0.000 0.408 210 L N -4.882 116.370 121.223 0.048 0.000 2.276 210 L HA 0.444 nan 4.340 nan 0.000 0.286 210 L C -1.448 175.444 176.870 0.036 0.000 1.024 210 L CA -1.450 53.413 54.840 0.039 0.000 0.826 210 L CB -0.042 42.034 42.059 0.029 0.000 1.211 210 L HN -0.587 7.670 8.230 0.045 0.000 0.422 211 P HA 0.218 nan 4.420 nan 0.000 0.264 211 P C -0.393 176.933 177.300 0.044 0.000 1.259 211 P CA 0.215 63.338 63.100 0.038 0.000 0.841 211 P CB 0.967 32.685 31.700 0.031 0.000 1.232 212 S N 0.003 115.730 115.700 0.045 0.000 2.743 212 S HA 0.054 nan 4.470 nan 0.000 0.230 212 S C -0.299 174.326 174.600 0.041 0.000 0.950 212 S CA 0.372 58.595 58.200 0.039 0.000 0.976 212 S CB -0.327 62.894 63.200 0.033 0.000 0.779 212 S HN -0.362 7.975 8.310 0.044 0.000 0.487 213 L N -0.464 120.810 121.223 0.085 0.000 4.054 213 L HA -0.352 nan 4.340 nan 0.000 0.475 213 L C -0.629 176.282 176.870 0.068 0.000 1.166 213 L CA 0.620 55.562 54.840 0.170 0.000 0.688 213 L CB -1.662 40.538 42.059 0.236 0.000 1.512 213 L HN -0.057 8.070 8.230 0.085 0.154 0.799 214 G N -2.700 106.156 108.800 0.093 0.000 2.663 214 G HA2 0.031 nan 3.960 nan 0.000 0.320 214 G HA3 0.031 nan 3.960 nan 0.000 0.320 214 G C 0.172 175.184 174.900 0.187 0.000 0.937 214 G CA -1.236 43.891 45.100 0.044 0.000 1.332 214 G HN -0.621 7.714 8.290 0.109 0.020 0.461 215 F N 4.353 124.264 119.950 -0.065 0.000 2.192 215 F HA -0.357 nan 4.527 nan 0.000 0.301 215 F C 0.619 176.391 175.800 -0.046 0.000 1.079 215 F CA 0.355 58.252 58.000 -0.172 0.000 1.303 215 F CB -0.398 38.260 39.000 -0.569 0.000 1.024 215 F HN -0.347 8.074 8.300 -0.236 -0.262 0.494 216 G N -4.711 104.224 108.800 0.225 0.000 2.522 216 G HA2 0.357 nan 3.960 nan 0.000 0.304 216 G HA3 0.357 nan 3.960 nan 0.000 0.304 216 G C -1.687 173.344 174.900 0.218 0.000 1.210 216 G CA -1.333 43.894 45.100 0.212 0.000 0.960 216 G HN -0.740 7.638 8.290 0.192 0.027 0.497 217 M N -3.428 116.320 119.600 0.247 0.000 2.318 217 M HA 0.410 nan 4.480 nan 0.000 0.347 217 M C 0.443 176.920 176.300 0.295 0.000 1.175 217 M CA -0.110 55.347 55.300 0.261 0.000 1.075 217 M CB 2.019 34.779 32.600 0.267 0.000 1.614 217 M HN -0.033 8.390 8.290 0.222 0.000 0.456 218 S N 1.465 117.287 115.700 0.204 0.000 2.395 218 S HA -0.235 nan 4.470 nan 0.000 0.225 218 S C 0.732 175.404 174.600 0.121 0.000 1.027 218 S CA 1.528 59.828 58.200 0.167 0.000 0.965 218 S CB 0.084 63.361 63.200 0.128 0.000 0.812 218 S HN 0.052 8.646 8.310 0.177 -0.178 0.482 219 Q N 1.434 121.310 119.800 0.126 0.000 2.394 219 Q HA -0.025 nan 4.340 nan 0.000 0.248 219 Q C -0.348 175.736 176.000 0.140 0.000 0.992 219 Q CA 0.381 56.251 55.803 0.112 0.000 0.888 219 Q CB 0.960 29.757 28.738 0.099 0.000 1.257 219 Q HN -0.130 8.222 8.270 0.136 0.000 0.462 220 K N 1.168 121.644 120.400 0.127 0.000 2.379 220 K HA -0.099 nan 4.320 nan 0.000 0.284 220 K C 0.176 176.856 176.600 0.132 0.000 1.044 220 K CA 0.580 56.958 56.287 0.151 0.000 0.974 220 K CB 0.049 32.623 32.500 0.124 0.000 0.962 220 K HN 0.352 8.664 8.250 0.103 0.000 0.474 221 V N -1.825 118.176 119.914 0.144 0.000 3.432 221 V HA 0.409 nan 4.120 nan 0.000 0.298 221 V C -0.645 175.447 176.094 -0.004 0.000 1.464 221 V CA -1.500 60.843 62.300 0.071 0.000 1.046 221 V CB 1.024 32.894 31.823 0.079 0.000 0.887 221 V HN -0.025 8.577 8.190 0.209 -0.287 0.441 222 G N -1.430 107.372 108.800 0.004 0.000 3.042 222 G HA2 0.619 nan 3.960 nan 0.000 0.278 222 G HA3 0.619 nan 3.960 nan 0.000 0.278 222 G C -1.208 173.676 174.900 -0.027 0.000 1.371 222 G CA -0.819 44.242 45.100 -0.065 0.000 1.009 222 G HN -0.731 7.969 8.290 0.066 -0.370 0.523 223 H N 0.471 119.605 119.070 0.108 0.000 2.395 223 H HA -0.079 nan 4.556 nan 0.000 0.299 223 H C 0.076 175.566 175.328 0.269 0.000 1.070 223 H CA 4.218 60.400 56.048 0.222 0.000 1.356 223 H CB 1.384 31.380 29.762 0.390 0.000 1.401 223 H HN 0.573 8.746 8.280 0.003 0.108 0.524 224 M N -4.128 115.717 119.600 0.409 0.000 2.165 224 M HA 0.417 nan 4.480 nan 0.000 0.283 224 M C -2.430 174.036 176.300 0.278 0.000 0.978 224 M CA -1.360 54.171 55.300 0.385 0.000 0.948 224 M CB 2.579 35.524 32.600 0.575 0.000 1.599 224 M HN -0.606 7.884 8.290 0.333 0.000 0.450 225 D N 5.587 126.082 120.400 0.159 0.000 2.280 225 D HA 0.652 nan 4.640 nan 0.000 0.236 225 D C -1.534 174.778 176.300 0.020 0.000 1.082 225 D CA 0.534 54.622 54.000 0.148 0.000 0.834 225 D CB 1.911 42.811 40.800 0.166 0.000 1.100 225 D HN 0.639 9.070 8.370 0.102 0.000 0.486 226 F N 2.239 122.157 119.950 -0.053 0.000 2.421 226 F HA 0.582 nan 4.527 nan 0.000 0.337 226 F C -0.686 174.912 175.800 -0.337 0.000 1.105 226 F CA -0.877 57.076 58.000 -0.079 0.000 1.049 226 F CB 2.350 41.316 39.000 -0.056 0.000 1.139 226 F HN 0.915 9.333 8.300 0.376 0.108 0.479 227 F N 1.680 121.582 119.950 -0.079 0.000 2.371 227 F HA 0.506 nan 4.527 nan 0.000 0.343 227 F C -2.109 173.693 175.800 0.005 0.000 1.150 227 F CA -2.940 55.017 58.000 -0.072 0.000 1.220 227 F CB 0.095 38.938 39.000 -0.262 0.000 1.475 227 F HN 0.755 9.083 8.300 0.047 0.000 0.521 228 P HA -0.100 nan 4.420 nan 0.000 0.267 228 P C -0.206 177.167 177.300 0.123 0.000 1.205 228 P CA 0.427 63.607 63.100 0.133 0.000 0.765 228 P CB -0.119 31.625 31.700 0.074 0.000 0.828 229 N N 2.938 121.696 118.700 0.096 0.000 2.741 229 N HA -0.518 nan 4.740 nan 0.000 0.250 229 N C 0.234 175.498 175.510 -0.409 0.000 1.115 229 N CA 1.641 54.708 53.050 0.028 0.000 0.724 229 N CB -1.777 36.799 38.487 0.147 0.000 1.090 229 N HN 1.079 9.558 8.380 0.166 0.000 0.558 230 G N -3.502 104.890 108.800 -0.679 0.000 2.195 230 G HA2 -0.329 nan 3.960 nan 0.000 0.246 230 G HA3 -0.329 nan 3.960 nan 0.000 0.246 230 G C -0.103 174.804 174.900 0.012 0.000 0.984 230 G CA 0.313 44.979 45.100 -0.724 0.000 0.633 230 G HN 0.220 8.294 8.290 -0.297 0.037 0.525 231 G N -0.447 108.429 108.800 0.126 0.000 2.148 231 G HA2 -0.433 nan 3.960 nan 0.000 0.254 231 G HA3 -0.433 nan 3.960 nan 0.000 0.254 231 G C -0.590 174.409 174.900 0.165 0.000 0.981 231 G CA 0.547 45.797 45.100 0.251 0.000 0.670 231 G HN 0.311 8.432 8.290 0.053 0.201 0.528 232 K N 0.055 120.510 120.400 0.092 0.000 2.494 232 K HA 0.188 nan 4.320 nan 0.000 0.244 232 K C -0.750 175.887 176.600 0.061 0.000 1.137 232 K CA 0.674 57.006 56.287 0.074 0.000 0.872 232 K CB 1.512 34.052 32.500 0.066 0.000 1.456 232 K HN -0.728 7.496 8.250 0.045 0.053 0.435 233 D N 0.608 121.050 120.400 0.069 0.000 2.485 233 D HA 0.104 nan 4.640 nan 0.000 0.221 233 D C -0.224 176.140 176.300 0.107 0.000 1.112 233 D CA -0.480 53.564 54.000 0.074 0.000 0.911 233 D CB -0.323 40.523 40.800 0.075 0.000 1.019 233 D HN 0.021 8.433 8.370 0.071 0.000 0.516 234 M N 3.749 123.418 119.600 0.115 0.000 2.248 234 M HA 0.111 nan 4.480 nan 0.000 0.345 234 M C -1.591 174.818 176.300 0.182 0.000 1.243 234 M CA -3.193 52.216 55.300 0.181 0.000 1.090 234 M CB -1.183 31.528 32.600 0.185 0.000 1.683 234 M HN -0.467 8.081 8.290 0.082 -0.209 0.450 235 P HA -0.179 nan 4.420 nan 0.000 0.265 235 P C 0.357 177.778 177.300 0.201 0.000 1.193 235 P CA 1.231 64.448 63.100 0.195 0.000 0.765 235 P CB 0.212 32.040 31.700 0.213 0.000 0.823 236 G N 1.806 110.693 108.800 0.146 0.000 2.176 236 G HA2 -0.317 nan 3.960 nan 0.000 0.253 236 G HA3 -0.317 nan 3.960 nan 0.000 0.253 236 G C -0.324 174.643 174.900 0.110 0.000 0.979 236 G CA 0.615 45.794 45.100 0.132 0.000 0.641 236 G HN 0.352 8.715 8.290 0.122 0.000 0.530 237 c N 0.520 119.178 118.600 0.097 0.000 2.683 237 c HA 0.181 nan 4.570 nan 0.000 0.371 237 c C -0.063 174.055 174.090 0.046 0.000 1.330 237 c CA -1.036 55.332 56.329 0.065 0.000 1.664 237 c CB -1.633 40.907 42.510 0.050 0.000 2.051 237 c HN -0.459 7.779 8.230 0.107 0.056 0.544 238 K N -0.373 120.054 120.400 0.046 0.000 2.323 238 K HA 0.063 nan 4.320 nan 0.000 0.197 238 K C -0.023 176.594 176.600 0.027 0.000 1.043 238 K CA 0.870 57.178 56.287 0.036 0.000 0.997 238 K CB 0.368 32.890 32.500 0.037 0.000 0.807 238 K HN 0.290 8.572 8.250 0.052 0.000 0.497 259 I N 2.076 122.675 120.570 0.048 0.000 2.226 259 I HA -0.350 nan 4.170 nan 0.000 0.245 259 I C 0.558 176.725 176.117 0.084 0.000 1.100 259 I CA 1.662 63.009 61.300 0.078 0.000 1.374 259 I CB 0.444 38.526 38.000 0.136 0.000 1.057 259 I HN 0.238 8.477 8.210 0.048 0.000 0.413 260 S N -2.531 113.251 115.700 0.135 0.000 2.575 260 S HA 0.100 nan 4.470 nan 0.000 0.215 260 S C 1.106 175.775 174.600 0.114 0.000 0.966 260 S CA -0.306 58.023 58.200 0.216 0.000 0.911 260 S CB -0.230 63.144 63.200 0.290 0.000 0.780 260 S HN -0.261 8.114 8.310 0.107 0.000 0.514 261 c N 2.894 121.516 118.600 0.036 0.000 2.367 261 c HA -0.429 nan 4.570 nan 0.000 0.276 261 c C 1.579 175.665 174.090 -0.007 0.000 1.195 261 c CA 4.532 60.877 56.329 0.027 0.000 1.756 261 c CB -1.199 41.325 42.510 0.023 0.000 2.046 261 c HN -0.223 7.947 8.230 0.024 0.075 0.453 262 N N -1.599 117.071 118.700 -0.050 0.000 2.166 262 N HA -0.318 nan 4.740 nan 0.000 0.186 262 N C 2.086 177.565 175.510 -0.051 0.000 1.019 262 N CA 3.629 56.639 53.050 -0.067 0.000 0.856 262 N CB -0.809 37.626 38.487 -0.087 0.000 0.993 262 N HN 0.375 8.709 8.380 -0.078 0.000 0.426 263 H N 1.548 120.536 119.070 -0.137 0.000 2.321 263 H HA -0.186 nan 4.556 nan 0.000 0.300 263 H C 2.408 177.783 175.328 0.078 0.000 1.087 263 H CA 3.387 59.440 56.048 0.008 0.000 1.319 263 H CB 0.048 29.902 29.762 0.154 0.000 1.379 263 H HN -0.021 8.235 8.280 -0.014 0.016 0.501 264 H N 0.156 119.125 119.070 -0.169 0.000 2.547 264 H HA -0.038 nan 4.556 nan 0.000 0.272 264 H C 2.162 177.162 175.328 -0.547 0.000 0.989 264 H CA 2.314 58.098 56.048 -0.440 0.000 1.214 264 H CB -0.074 29.501 29.762 -0.311 0.000 1.389 264 H HN 0.333 8.698 8.280 0.142 0.000 0.577 265 R N -1.311 118.869 120.500 -0.534 0.000 2.105 265 R HA -0.347 nan 4.340 nan 0.000 0.239 265 R C 1.987 177.583 176.300 -1.174 0.000 1.135 265 R CA 2.457 58.016 56.100 -0.901 0.000 0.967 265 R CB -1.125 28.706 30.300 -0.783 0.000 0.861 265 R HN -0.164 7.766 8.270 -0.306 0.157 0.442 266 S N -0.585 114.655 115.700 -0.767 0.000 2.400 266 S HA -0.240 nan 4.470 nan 0.000 0.232 266 S C 2.287 176.517 174.600 -0.616 0.000 1.025 266 S CA 3.030 60.884 58.200 -0.577 0.000 0.993 266 S CB -0.664 62.332 63.200 -0.340 0.000 0.808 266 S HN -0.394 7.569 8.310 -0.564 0.008 0.478 267 I N 2.893 122.937 120.570 -0.876 0.000 2.286 267 I HA -0.433 nan 4.170 nan 0.000 0.245 267 I C 1.646 177.386 176.117 -0.628 0.000 1.104 267 I CA 3.473 64.243 61.300 -0.882 0.000 1.397 267 I CB -0.205 36.929 38.000 -1.444 0.000 1.072 267 I HN -0.686 6.799 8.210 -1.019 0.113 0.417 268 E N 0.578 120.278 120.200 -0.833 0.000 2.085 268 E HA -0.394 nan 4.350 nan 0.000 0.194 268 E C 2.846 179.178 176.600 -0.447 0.000 0.994 268 E CA 3.560 59.587 56.400 -0.621 0.000 0.801 268 E CB -0.170 29.033 29.700 -0.828 0.000 0.743 268 E HN -0.585 7.047 8.360 -1.095 0.072 0.453 269 Y N -2.097 117.838 120.300 -0.608 0.000 2.242 269 Y HA -0.264 nan 4.550 nan 0.000 0.291 269 Y C 2.348 177.888 175.900 -0.600 0.000 1.137 269 Y CA 0.657 58.375 58.100 -0.636 0.000 1.181 269 Y CB -0.916 37.200 38.460 -0.573 0.000 0.989 269 Y HN 0.270 8.020 8.280 -0.883 0.000 0.527 270 Y N 0.467 120.559 120.300 -0.346 0.000 2.163 270 Y HA -0.485 nan 4.550 nan 0.000 0.288 270 Y C 2.462 178.244 175.900 -0.196 0.000 1.136 270 Y CA 3.848 61.775 58.100 -0.288 0.000 1.147 270 Y CB 0.098 38.417 38.460 -0.234 0.000 0.987 270 Y HN -0.447 7.733 8.280 -0.168 0.000 0.509 271 H N 0.171 119.206 119.070 -0.059 0.000 2.319 271 H HA -0.395 nan 4.556 nan 0.000 0.297 271 H C 2.894 178.171 175.328 -0.086 0.000 1.097 271 H CA 3.583 59.600 56.048 -0.051 0.000 1.285 271 H CB 0.028 29.768 29.762 -0.035 0.000 1.368 271 H HN 0.404 8.645 8.280 0.112 0.107 0.495 272 S N -2.052 113.624 115.700 -0.039 0.000 2.383 272 S HA -0.269 nan 4.470 nan 0.000 0.227 272 S C 1.913 176.511 174.600 -0.004 0.000 1.026 272 S CA 2.680 60.910 58.200 0.049 0.000 0.981 272 S CB -0.121 63.311 63.200 0.387 0.000 0.818 272 S HN 0.053 8.382 8.310 0.033 0.000 0.472 273 S N 1.621 117.150 115.700 -0.285 0.000 2.469 273 S HA -0.204 nan 4.470 nan 0.000 0.238 273 S C 1.266 175.796 174.600 -0.117 0.000 0.998 273 S CA 3.014 61.047 58.200 -0.277 0.000 0.957 273 S CB -0.380 62.430 63.200 -0.649 0.000 0.764 273 S HN -0.158 7.803 8.310 -0.454 0.077 0.514 274 I N -0.442 119.976 120.570 -0.254 0.000 2.500 274 I HA -0.250 nan 4.170 nan 0.000 0.252 274 I C 1.090 177.227 176.117 0.033 0.000 1.142 274 I CA 2.431 63.580 61.300 -0.251 0.000 1.451 274 I CB 0.288 37.959 38.000 -0.549 0.000 1.093 274 I HN -0.749 7.102 8.210 -0.333 0.160 0.430 275 L N -2.391 118.826 121.223 -0.010 0.000 2.408 275 L HA 0.009 nan 4.340 nan 0.000 0.215 275 L C 0.505 177.436 176.870 0.100 0.000 1.081 275 L CA 0.986 55.850 54.840 0.041 0.000 0.840 275 L CB 0.914 42.971 42.059 -0.003 0.000 1.002 275 L HN -0.636 7.533 8.230 -0.073 0.017 0.468 276 N N -2.100 116.692 118.700 0.153 0.000 2.818 276 N HA 0.455 nan 4.740 nan 0.000 0.301 276 N C -1.602 174.052 175.510 0.239 0.000 1.821 276 N CA -2.315 50.849 53.050 0.189 0.000 0.930 276 N CB 0.534 39.151 38.487 0.217 0.000 1.263 276 N HN -0.285 8.184 8.380 0.149 0.000 0.487 277 P HA -0.184 nan 4.420 nan 0.000 0.215 277 P C 0.838 178.198 177.300 0.100 0.000 1.157 277 P CA 2.486 65.682 63.100 0.160 0.000 0.868 277 P CB 0.183 31.878 31.700 -0.008 0.000 0.788 278 E N -1.056 119.174 120.200 0.050 0.000 2.219 278 E HA -0.284 nan 4.350 nan 0.000 0.198 278 E C 1.767 178.261 176.600 -0.176 0.000 0.998 278 E CA 2.397 58.832 56.400 0.057 0.000 0.818 278 E CB -1.607 28.225 29.700 0.220 0.000 0.741 278 E HN 0.473 8.863 8.360 0.051 0.000 0.477 279 G N -3.993 104.567 108.800 -0.400 0.000 2.920 279 G HA2 -0.055 nan 3.960 nan 0.000 0.208 279 G HA3 -0.055 nan 3.960 nan 0.000 0.208 279 G C -0.965 173.173 174.900 -1.270 0.000 1.159 279 G CA 0.348 44.719 45.100 -1.215 0.000 0.784 279 G HN -0.358 7.682 8.290 -0.156 0.156 0.535 280 F N -1.664 118.091 119.950 -0.326 0.000 2.541 280 F HA 0.288 nan 4.527 nan 0.000 0.368 280 F C -1.706 173.997 175.800 -0.162 0.000 1.530 280 F CA -1.966 55.896 58.000 -0.230 0.000 1.102 280 F CB 0.167 39.033 39.000 -0.222 0.000 1.382 280 F HN -0.438 7.706 8.300 -0.133 0.076 0.541 281 L N 1.706 122.903 121.223 -0.044 0.000 2.456 281 L HA 0.074 nan 4.340 nan 0.000 0.272 281 L C 0.350 177.140 176.870 -0.133 0.000 1.189 281 L CA -0.047 54.717 54.840 -0.127 0.000 0.846 281 L CB -0.011 41.925 42.059 -0.206 0.000 1.111 281 L HN -0.221 7.938 8.230 -0.117 0.000 0.475 282 G N 1.684 110.368 108.800 -0.193 0.000 2.379 282 G HA2 0.207 nan 3.960 nan 0.000 0.327 282 G HA3 0.207 nan 3.960 nan 0.000 0.327 282 G C -1.687 173.073 174.900 -0.233 0.000 1.145 282 G CA -0.658 44.401 45.100 -0.068 0.000 0.905 282 G HN 0.321 8.464 8.290 -0.244 0.000 0.466 283 Y N 1.996 122.429 120.300 0.222 0.000 2.331 283 Y HA 0.205 nan 4.550 nan 0.000 0.338 283 Y C -1.550 174.569 175.900 0.365 0.000 0.976 283 Y CA -2.757 55.535 58.100 0.319 0.000 1.137 283 Y CB 1.586 40.314 38.460 0.447 0.000 1.172 283 Y HN 0.736 9.095 8.280 0.318 0.112 0.478 284 P HA -0.079 nan 4.420 nan 0.000 0.263 284 P C -1.605 175.834 177.300 0.231 0.000 1.195 284 P CA 0.760 63.963 63.100 0.172 0.000 0.762 284 P CB -0.337 31.458 31.700 0.157 0.000 0.799 285 c N 4.513 123.238 118.600 0.209 0.000 3.181 285 c HA 0.110 nan 4.570 nan 0.000 0.362 285 c C -0.478 173.750 174.090 0.230 0.000 1.125 285 c CA -0.968 55.518 56.329 0.261 0.000 1.265 285 c CB 2.627 45.362 42.510 0.375 0.000 1.632 285 c HN -0.316 7.966 8.230 0.087 0.000 0.525 286 A N 4.357 127.232 122.820 0.093 0.000 1.972 286 A HA -0.001 nan 4.320 nan 0.000 0.219 286 A C -0.989 176.590 177.584 -0.007 0.000 1.169 286 A CA 2.150 54.214 52.037 0.046 0.000 0.635 286 A CB 0.496 19.499 19.000 0.006 0.000 0.810 286 A HN 0.548 8.742 8.150 0.073 0.000 0.446 287 S N -4.575 110.989 115.700 -0.225 0.000 2.615 287 S HA 0.158 nan 4.470 nan 0.000 0.269 287 S C -0.449 173.535 174.600 -1.027 0.000 1.161 287 S CA -0.651 57.196 58.200 -0.588 0.000 0.817 287 S CB 1.635 64.681 63.200 -0.257 0.000 1.131 287 S HN -0.887 7.295 8.310 -0.183 0.018 0.467 288 Y N 2.317 121.850 120.300 -1.279 0.000 2.293 288 Y HA -0.323 nan 4.550 nan 0.000 0.291 288 Y C 0.959 176.716 175.900 -0.238 0.000 1.137 288 Y CA 2.978 60.621 58.100 -0.761 0.000 1.202 288 Y CB -0.214 38.048 38.460 -0.330 0.000 0.990 288 Y HN 0.376 8.191 8.280 -0.775 0.000 0.537 289 D N -2.191 118.095 120.400 -0.190 0.000 2.103 289 D HA -0.340 nan 4.640 nan 0.000 0.190 289 D C 2.515 178.720 176.300 -0.158 0.000 0.997 289 D CA 4.110 58.014 54.000 -0.161 0.000 0.833 289 D CB -0.533 40.210 40.800 -0.096 0.000 0.961 289 D HN 0.314 8.571 8.370 -0.162 0.015 0.447 290 E N -1.123 119.000 120.200 -0.128 0.000 2.153 290 E HA -0.348 nan 4.350 nan 0.000 0.194 290 E C 2.220 178.801 176.600 -0.031 0.000 0.988 290 E CA 2.357 58.715 56.400 -0.069 0.000 0.811 290 E CB -0.018 29.657 29.700 -0.042 0.000 0.746 290 E HN -0.789 7.478 8.360 -0.154 0.000 0.466 291 F N 0.353 120.180 119.950 -0.205 0.000 2.113 291 F HA -0.333 nan 4.527 nan 0.000 0.297 291 F C 2.055 177.734 175.800 -0.202 0.000 1.103 291 F CA 3.053 60.967 58.000 -0.142 0.000 1.248 291 F CB 0.350 39.307 39.000 -0.072 0.000 0.999 291 F HN -0.695 7.488 8.300 -0.022 0.103 0.475 292 Q N -2.582 117.028 119.800 -0.317 0.000 2.291 292 Q HA -0.281 nan 4.340 nan 0.000 0.206 292 Q C 1.914 177.739 176.000 -0.292 0.000 0.976 292 Q CA 2.117 57.673 55.803 -0.412 0.000 0.875 292 Q CB -0.472 28.009 28.738 -0.430 0.000 0.927 292 Q HN 0.113 8.232 8.270 -0.251 0.000 0.450 293 E N -2.376 117.698 120.200 -0.211 0.000 2.419 293 E HA 0.058 nan 4.350 nan 0.000 0.190 293 E C -0.897 175.634 176.600 -0.115 0.000 1.040 293 E CA -0.569 55.750 56.400 -0.135 0.000 0.900 293 E CB 0.034 29.681 29.700 -0.089 0.000 1.054 293 E HN -0.675 7.428 8.360 -0.195 0.140 0.462 294 S N -1.026 114.570 115.700 -0.174 0.000 3.625 294 S HA -0.309 nan 4.470 nan 0.000 0.426 294 S C 0.060 174.645 174.600 -0.026 0.000 0.884 294 S CA 1.086 59.213 58.200 -0.121 0.000 1.322 294 S CB -1.593 61.556 63.200 -0.086 0.000 0.905 294 S HN -0.115 7.947 8.310 -0.272 0.085 0.586 295 G N -4.346 104.457 108.800 0.004 0.000 3.314 295 G HA2 0.218 nan 3.960 nan 0.000 0.230 295 G HA3 0.218 nan 3.960 nan 0.000 0.230 295 G C -0.957 174.013 174.900 0.118 0.000 1.058 295 G CA 0.582 45.714 45.100 0.054 0.000 0.926 295 G HN -0.254 8.024 8.290 -0.020 0.000 0.564 296 c N 0.259 118.966 118.600 0.179 0.000 2.975 296 c HA 0.428 nan 4.570 nan 0.000 0.234 296 c C -1.646 172.678 174.090 0.390 0.000 1.666 296 c CA -1.125 55.387 56.329 0.305 0.000 1.534 296 c CB -0.587 42.179 42.510 0.426 0.000 2.642 296 c HN -0.093 8.214 8.230 0.128 0.000 0.516 297 F N 2.100 122.106 119.950 0.092 0.000 2.628 297 F HA 0.298 nan 4.527 nan 0.000 0.309 297 F C -2.383 173.461 175.800 0.073 0.000 1.108 297 F CA -3.182 54.848 58.000 0.050 0.000 0.971 297 F CB 2.712 41.610 39.000 -0.170 0.000 1.279 297 F HN -0.493 7.953 8.300 0.243 0.000 0.441 298 P HA 0.364 nan 4.420 nan 0.000 0.323 298 P C -1.048 176.128 177.300 -0.206 0.000 1.309 298 P CA -1.040 61.400 63.100 -1.099 0.000 0.739 298 P CB 1.299 32.442 31.700 -0.928 0.000 1.454 299 c N 0.417 118.957 118.600 -0.099 0.000 2.679 299 c HA 0.066 nan 4.570 nan 0.000 0.417 299 c C -0.781 173.328 174.090 0.031 0.000 1.302 299 c CA -0.344 56.003 56.329 0.030 0.000 1.973 299 c CB -1.483 41.008 42.510 -0.031 0.000 2.715 299 c HN 0.119 8.217 8.230 -0.220 0.000 0.628 300 P HA 0.048 nan 4.420 nan 0.000 0.274 300 P C 0.005 177.339 177.300 0.056 0.000 1.260 300 P CA -0.436 62.715 63.100 0.085 0.000 0.793 300 P CB 0.731 32.514 31.700 0.139 0.000 1.048 301 A N 1.717 124.561 122.820 0.040 0.000 1.927 301 A HA -0.297 nan 4.320 nan 0.000 0.220 301 A C 1.412 179.010 177.584 0.023 0.000 1.185 301 A CA 2.940 54.989 52.037 0.021 0.000 0.639 301 A CB -0.481 18.526 19.000 0.011 0.000 0.820 301 A HN 0.439 8.615 8.150 0.042 0.000 0.451 302 K N -1.853 118.568 120.400 0.035 0.000 2.555 302 K HA -0.046 nan 4.320 nan 0.000 0.193 302 K C 0.035 176.686 176.600 0.085 0.000 1.032 302 K CA -0.639 55.662 56.287 0.022 0.000 1.004 302 K CB -0.035 32.435 32.500 -0.049 0.000 0.804 302 K HN -0.259 8.009 8.250 0.046 0.009 0.496 303 G N -2.549 106.312 108.800 0.102 0.000 2.661 303 G HA2 -0.314 nan 3.960 nan 0.000 0.685 303 G HA3 -0.314 nan 3.960 nan 0.000 0.685 303 G C -2.344 172.636 174.900 0.134 0.000 1.298 303 G CA -0.827 44.328 45.100 0.091 0.000 0.855 303 G HN -0.258 7.889 8.290 0.085 0.194 0.560 304 c N 1.794 120.380 118.600 -0.024 0.000 2.370 304 c HA 0.476 nan 4.570 nan 0.000 0.354 304 c C -1.445 172.449 174.090 -0.327 0.000 1.218 304 c CA -2.938 53.260 56.329 -0.218 0.000 2.154 304 c CB 0.832 43.102 42.510 -0.400 0.000 2.391 304 c HN 0.437 8.641 8.230 -0.044 0.000 0.540 305 P HA 0.046 nan 4.420 nan 0.000 0.277 305 P C -1.746 175.377 177.300 -0.296 0.000 1.240 305 P CA -0.795 61.859 63.100 -0.744 0.000 0.798 305 P CB 0.797 31.648 31.700 -1.414 0.000 0.979 306 K N -0.100 120.224 120.400 -0.126 0.000 2.234 306 K HA 0.327 nan 4.320 nan 0.000 0.277 306 K C -0.206 176.284 176.600 -0.183 0.000 1.038 306 K CA -1.191 55.053 56.287 -0.072 0.000 0.888 306 K CB 0.581 33.085 32.500 0.007 0.000 1.091 306 K HN 0.258 8.460 8.250 -0.080 0.000 0.467 307 M N 6.847 126.246 119.600 -0.336 0.000 2.249 307 M HA -0.120 nan 4.480 nan 0.000 0.340 307 M C 0.043 175.986 176.300 -0.594 0.000 1.166 307 M CA 2.202 56.949 55.300 -0.923 0.000 1.115 307 M CB 0.780 32.945 32.600 -0.725 0.000 1.606 307 M HN -0.007 8.198 8.290 -0.141 0.000 0.448 308 G N 4.153 112.584 108.800 -0.615 0.000 2.466 308 G HA2 -0.396 nan 3.960 nan 0.000 0.218 308 G HA3 -0.396 nan 3.960 nan 0.000 0.218 308 G C 0.049 174.715 174.900 -0.390 0.000 1.237 308 G CA 0.073 44.874 45.100 -0.498 0.000 0.954 308 G HN -0.457 7.348 8.290 -0.808 0.000 0.580 309 H N 4.317 122.855 119.070 -0.886 0.000 2.437 309 H HA -0.283 nan 4.556 nan 0.000 0.296 309 H C 1.678 176.643 175.328 -0.605 0.000 1.121 309 H CA 4.059 59.662 56.048 -0.742 0.000 1.255 309 H CB 0.416 29.602 29.762 -0.959 0.000 1.366 309 H HN -0.069 7.634 8.280 -0.961 0.000 0.512 310 F N -4.228 115.662 119.950 -0.100 0.000 2.647 310 F HA 0.176 nan 4.527 nan 0.000 0.300 310 F C 0.037 175.805 175.800 -0.053 0.000 1.106 310 F CA -1.226 56.727 58.000 -0.078 0.000 1.313 310 F CB -1.051 37.931 39.000 -0.031 0.000 1.007 310 F HN -0.394 7.890 8.300 0.018 0.026 0.536 311 A N 0.901 123.757 122.820 0.061 0.000 2.070 311 A HA -0.315 nan 4.320 nan 0.000 0.220 311 A C 0.784 178.477 177.584 0.182 0.000 1.159 311 A CA 3.356 55.470 52.037 0.128 0.000 0.656 311 A CB -0.864 18.228 19.000 0.154 0.000 0.800 311 A HN 0.244 8.212 8.150 -0.027 0.166 0.453 312 D N -3.584 116.902 120.400 0.143 0.000 2.348 312 D HA -0.240 nan 4.640 nan 0.000 0.216 312 D C 1.387 177.622 176.300 -0.110 0.000 0.970 312 D CA 2.039 55.998 54.000 -0.069 0.000 0.889 312 D CB -1.187 39.616 40.800 0.005 0.000 0.912 312 D HN 0.082 8.474 8.370 0.111 0.045 0.524 313 Q N -1.585 118.230 119.800 0.025 0.000 2.472 313 Q HA -0.156 nan 4.340 nan 0.000 0.208 313 Q C -0.183 175.847 176.000 0.051 0.000 0.958 313 Q CA -0.077 55.751 55.803 0.041 0.000 0.932 313 Q CB -0.014 28.784 28.738 0.100 0.000 1.007 313 Q HN -0.467 7.685 8.270 0.088 0.171 0.508 314 Y N 1.776 122.005 120.300 -0.118 0.000 2.569 314 Y HA -0.031 nan 4.550 nan 0.000 0.332 314 Y C -1.542 174.277 175.900 -0.135 0.000 1.120 314 Y CA -2.175 55.856 58.100 -0.115 0.000 1.416 314 Y CB 0.275 38.668 38.460 -0.111 0.000 1.210 314 Y HN -0.911 7.362 8.280 0.104 0.070 0.528 315 P HA -0.229 nan 4.420 nan 0.000 0.216 315 P C 0.142 177.206 177.300 -0.393 0.000 1.157 315 P CA 2.034 64.918 63.100 -0.360 0.000 0.880 315 P CB 0.194 31.697 31.700 -0.328 0.000 0.791 316 G N -5.323 103.112 108.800 -0.609 0.000 3.814 316 G HA2 0.191 nan 3.960 nan 0.000 0.293 316 G HA3 0.191 nan 3.960 nan 0.000 0.293 316 G C 0.404 175.221 174.900 -0.138 0.000 1.243 316 G CA -0.894 44.014 45.100 -0.320 0.000 1.053 316 G HN -0.036 7.580 8.290 -1.122 0.000 0.562 317 K N -0.287 120.029 120.400 -0.141 0.000 2.113 317 K HA -0.317 nan 4.320 nan 0.000 0.208 317 K C 0.022 176.627 176.600 0.009 0.000 1.047 317 K CA 2.627 58.888 56.287 -0.044 0.000 0.928 317 K CB -0.323 31.843 32.500 -0.556 0.000 0.716 317 K HN -0.541 7.480 8.250 -0.252 0.079 0.446 318 T N -9.297 105.175 114.554 -0.137 0.000 3.044 318 T HA 0.325 nan 4.350 nan 0.000 0.260 318 T C 0.534 175.209 174.700 -0.041 0.000 1.019 318 T CA -1.278 60.692 62.100 -0.216 0.000 0.921 318 T CB -0.281 68.314 68.868 -0.454 0.000 1.053 318 T HN -0.070 8.060 8.240 -0.183 0.000 0.533 319 N N 2.438 121.136 118.700 -0.004 0.000 2.585 319 N HA -0.171 nan 4.740 nan 0.000 0.188 319 N C -0.914 174.638 175.510 0.070 0.000 1.102 319 N CA 1.404 54.466 53.050 0.019 0.000 0.920 319 N CB 0.102 38.585 38.487 -0.007 0.000 0.963 319 N HN -0.233 8.135 8.380 -0.019 0.000 0.447 320 A N -3.539 119.357 122.820 0.127 0.000 2.612 320 A HA 0.131 nan 4.320 nan 0.000 0.293 320 A C -2.010 175.711 177.584 0.228 0.000 1.075 320 A CA -0.558 51.565 52.037 0.144 0.000 0.680 320 A CB 2.503 21.563 19.000 0.101 0.000 1.279 320 A HN -0.929 7.241 8.150 0.151 0.070 0.411 321 V N -4.425 115.596 119.914 0.179 0.000 2.975 321 V HA 0.517 nan 4.120 nan 0.000 0.318 321 V C -0.278 175.876 176.094 0.100 0.000 1.077 321 V CA -1.800 60.599 62.300 0.165 0.000 1.000 321 V CB 1.054 32.922 31.823 0.077 0.000 1.066 321 V HN -0.107 8.159 8.190 0.128 0.000 0.452 322 E N -1.291 118.961 120.200 0.086 0.000 2.637 322 E HA -0.511 nan 4.350 nan 0.000 0.265 322 E C 0.031 176.639 176.600 0.014 0.000 1.073 322 E CA 1.080 57.517 56.400 0.061 0.000 0.778 322 E CB -2.452 27.276 29.700 0.047 0.000 1.362 322 E HN 0.434 8.847 8.360 0.088 0.000 0.413 323 Q N -1.498 118.308 119.800 0.009 0.000 2.271 323 Q HA -0.086 nan 4.340 nan 0.000 0.273 323 Q C -0.562 175.192 176.000 -0.410 0.000 1.051 323 Q CA 0.459 56.148 55.803 -0.190 0.000 0.901 323 Q CB 0.533 29.227 28.738 -0.072 0.000 1.174 323 Q HN -0.472 7.834 8.270 0.103 0.026 0.385 324 T N 5.656 119.913 114.554 -0.495 0.000 2.882 324 T HA 0.660 nan 4.350 nan 0.000 0.287 324 T C -0.939 173.254 174.700 -0.846 0.000 0.992 324 T CA -0.158 61.672 62.100 -0.449 0.000 1.076 324 T CB 0.933 69.681 68.868 -0.200 0.000 0.961 324 T HN 0.285 8.282 8.240 -0.404 0.000 0.490 325 F N 2.905 122.561 119.950 -0.489 0.000 2.561 325 F HA 0.573 nan 4.527 nan 0.000 0.313 325 F C -1.937 173.511 175.800 -0.588 0.000 1.126 325 F CA -1.497 56.219 58.000 -0.473 0.000 0.918 325 F CB 4.107 42.651 39.000 -0.759 0.000 1.199 325 F HN 0.249 8.315 8.300 -0.390 0.000 0.444 326 F N 1.169 121.153 119.950 0.055 0.000 2.538 326 F HA 0.890 nan 4.527 nan 0.000 0.325 326 F C -1.651 173.897 175.800 -0.419 0.000 1.066 326 F CA -1.204 56.678 58.000 -0.196 0.000 0.946 326 F CB 3.341 42.120 39.000 -0.369 0.000 1.199 326 F HN 0.685 9.024 8.300 0.243 0.106 0.473 327 L N -6.110 115.049 121.223 -0.107 0.000 3.075 327 L HA 0.398 nan 4.340 nan 0.000 0.274 327 L C -2.901 174.163 176.870 0.323 0.000 1.006 327 L CA -0.023 54.913 54.840 0.160 0.000 0.972 327 L CB 2.676 44.901 42.059 0.276 0.000 1.515 327 L HN -0.095 8.196 8.230 0.102 0.000 0.402 328 N N -0.699 118.230 118.700 0.382 0.000 2.381 328 N HA 0.726 nan 4.740 nan 0.000 0.294 328 N C -1.259 174.331 175.510 0.134 0.000 1.216 328 N CA -0.660 52.569 53.050 0.298 0.000 0.803 328 N CB 3.860 42.560 38.487 0.355 0.000 1.372 328 N HN 0.094 8.718 8.380 0.408 0.000 0.500 329 T N -4.535 110.073 114.554 0.090 0.000 2.838 329 T HA 0.408 nan 4.350 nan 0.000 0.292 329 T C -0.195 174.586 174.700 0.136 0.000 1.113 329 T CA -2.173 59.947 62.100 0.033 0.000 1.008 329 T CB 3.627 72.417 68.868 -0.129 0.000 1.259 329 T HN 0.104 8.740 8.240 0.139 -0.312 0.520 330 G N -1.324 107.571 108.800 0.159 0.000 2.535 330 G HA2 0.081 nan 3.960 nan 0.000 0.282 330 G HA3 0.081 nan 3.960 nan 0.000 0.282 330 G C -1.276 173.787 174.900 0.272 0.000 1.350 330 G CA -1.217 43.974 45.100 0.152 0.000 1.039 330 G HN 0.378 8.613 8.290 0.153 0.147 0.509 331 A N -4.067 118.843 122.820 0.150 0.000 2.169 331 A HA 0.240 nan 4.320 nan 0.000 0.210 331 A C -0.416 177.207 177.584 0.065 0.000 1.168 331 A CA 1.181 53.330 52.037 0.188 0.000 0.813 331 A CB 0.733 19.810 19.000 0.130 0.000 0.861 331 A HN 0.357 8.546 8.150 0.066 0.000 0.481 332 S N -3.656 111.853 115.700 -0.318 0.000 2.669 332 S HA 0.039 nan 4.470 nan 0.000 0.266 332 S C -1.813 172.344 174.600 -0.738 0.000 1.149 332 S CA -0.639 57.170 58.200 -0.651 0.000 0.842 332 S CB 1.295 64.385 63.200 -0.182 0.000 1.160 332 S HN -0.760 7.386 8.310 -0.273 0.000 0.487 333 D N 0.596 120.682 120.400 -0.524 0.000 3.729 333 D HA -0.255 nan 4.640 nan 0.000 0.242 333 D C -0.141 175.987 176.300 -0.287 0.000 1.091 333 D CA 0.586 54.421 54.000 -0.276 0.000 1.096 333 D CB -0.114 40.597 40.800 -0.149 0.000 0.901 333 D HN 0.391 8.525 8.370 -0.394 0.000 0.416 334 N N -0.492 118.120 118.700 -0.148 0.000 2.805 334 N HA -0.516 nan 4.740 nan 0.000 0.241 334 N C -0.049 175.675 175.510 0.357 0.000 1.007 334 N CA 1.583 54.738 53.050 0.175 0.000 0.961 334 N CB -0.631 37.947 38.487 0.151 0.000 1.121 334 N HN 0.447 8.774 8.380 -0.088 0.000 0.600 335 F N -7.585 112.455 119.950 0.150 0.000 2.896 335 F HA -0.456 nan 4.527 nan 0.000 0.368 335 F C 0.183 175.880 175.800 -0.171 0.000 0.642 335 F CA 1.421 59.490 58.000 0.116 0.000 0.998 335 F CB -2.403 36.801 39.000 0.341 0.000 1.517 335 F HN 0.346 8.214 8.300 -0.531 0.112 0.302 336 T N 2.122 116.517 114.554 -0.265 0.000 2.946 336 T HA -0.037 nan 4.350 nan 0.000 0.311 336 T C -0.279 174.007 174.700 -0.690 0.000 1.063 336 T CA 1.718 63.291 62.100 -0.879 0.000 1.139 336 T CB 0.277 68.634 68.868 -0.851 0.000 0.994 336 T HN -0.810 7.250 8.240 -0.089 0.127 0.547 337 R N 3.697 123.614 120.500 -0.972 0.000 2.707 337 R HA 0.505 nan 4.340 nan 0.000 0.272 337 R C -1.538 174.431 176.300 -0.552 0.000 1.011 337 R CA -1.717 54.129 56.100 -0.424 0.000 0.893 337 R CB 4.860 35.092 30.300 -0.113 0.000 1.233 337 R HN 0.362 7.882 8.270 -1.249 0.000 0.464 338 W N -0.460 120.840 121.300 -0.000 0.000 2.781 338 W HA 0.192 nan 4.660 nan 0.000 0.333 338 W C -1.903 174.539 176.519 -0.128 0.000 1.047 338 W CA -1.133 56.186 57.345 -0.045 0.000 1.236 338 W CB 3.368 32.796 29.460 -0.052 0.000 1.394 338 W HN 0.867 9.300 8.180 0.601 0.107 0.466 339 R N 3.221 123.743 120.500 0.037 0.000 2.357 339 R HA 0.468 nan 4.340 nan 0.000 0.296 339 R C -1.530 174.441 176.300 -0.548 0.000 1.052 339 R CA -0.160 55.794 56.100 -0.243 0.000 0.988 339 R CB 1.755 31.909 30.300 -0.242 0.000 1.025 339 R HN 0.624 9.000 8.270 0.176 0.000 0.469 340 Y N 2.293 122.183 120.300 -0.684 0.000 2.553 340 Y HA 0.349 nan 4.550 nan 0.000 0.347 340 Y C -1.941 173.391 175.900 -0.946 0.000 1.019 340 Y CA -1.484 56.237 58.100 -0.632 0.000 1.032 340 Y CB 4.506 42.575 38.460 -0.651 0.000 1.284 340 Y HN 0.435 8.263 8.280 -0.753 0.000 0.466 341 K N 1.193 121.428 120.400 -0.276 0.000 2.323 341 K HA 0.710 nan 4.320 nan 0.000 0.259 341 K C -2.149 174.465 176.600 0.023 0.000 0.947 341 K CA -1.392 54.778 56.287 -0.195 0.000 0.819 341 K CB 2.946 35.476 32.500 0.050 0.000 1.109 341 K HN 0.297 8.613 8.250 0.111 0.000 0.429 342 V N 6.984 126.938 119.914 0.066 0.000 2.495 342 V HA 0.638 nan 4.120 nan 0.000 0.298 342 V C -1.593 174.618 176.094 0.196 0.000 1.031 342 V CA -1.492 60.929 62.300 0.201 0.000 0.871 342 V CB 2.815 34.850 31.823 0.353 0.000 0.988 342 V HN 0.638 8.848 8.190 0.034 0.000 0.432 343 S N 6.910 122.722 115.700 0.186 0.000 2.498 343 S HA 0.539 nan 4.470 nan 0.000 0.317 343 S C -1.893 172.799 174.600 0.153 0.000 1.090 343 S CA -0.888 57.404 58.200 0.154 0.000 1.089 343 S CB 1.425 64.696 63.200 0.118 0.000 0.997 343 S HN 0.808 9.128 8.310 0.197 0.109 0.470 344 V N 6.708 126.713 119.914 0.151 0.000 2.398 344 V HA 0.544 nan 4.120 nan 0.000 0.286 344 V C -0.889 175.212 176.094 0.012 0.000 1.026 344 V CA -0.940 61.443 62.300 0.139 0.000 0.868 344 V CB 1.393 33.372 31.823 0.261 0.000 0.982 344 V HN 0.605 8.781 8.190 0.161 0.110 0.443 345 T N 9.742 124.279 114.554 -0.028 0.000 2.756 345 T HA 0.508 nan 4.350 nan 0.000 0.290 345 T C -0.591 174.023 174.700 -0.143 0.000 0.985 345 T CA -0.656 61.379 62.100 -0.107 0.000 0.955 345 T CB -0.283 68.535 68.868 -0.083 0.000 0.930 345 T HN 0.560 8.800 8.240 0.000 0.000 0.451 346 L N 5.989 127.101 121.223 -0.185 0.000 2.436 346 L HA 0.437 nan 4.340 nan 0.000 0.265 346 L C -0.639 176.113 176.870 -0.197 0.000 1.168 346 L CA 0.098 54.824 54.840 -0.189 0.000 0.815 346 L CB 0.525 42.483 42.059 -0.167 0.000 1.109 346 L HN 0.074 8.159 8.230 -0.242 0.000 0.462 347 S N -0.962 114.601 115.700 -0.230 0.000 2.607 347 S HA 0.395 nan 4.470 nan 0.000 0.273 347 S C -0.827 173.645 174.600 -0.213 0.000 1.148 347 S CA -0.969 57.113 58.200 -0.196 0.000 0.833 347 S CB 2.751 65.839 63.200 -0.187 0.000 1.130 347 S HN 0.660 8.728 8.310 -0.283 0.072 0.470 348 G N 0.095 108.797 108.800 -0.164 0.000 2.445 348 G HA2 -0.329 nan 3.960 nan 0.000 0.212 348 G HA3 -0.329 nan 3.960 nan 0.000 0.212 348 G C -1.641 173.173 174.900 -0.142 0.000 1.217 348 G CA -0.310 44.695 45.100 -0.159 0.000 1.002 348 G HN 0.111 8.321 8.290 -0.134 0.000 0.574 349 K N 2.842 123.149 120.400 -0.155 0.000 2.110 349 K HA 0.221 nan 4.320 nan 0.000 0.263 349 K C -0.276 176.242 176.600 -0.137 0.000 0.975 349 K CA -1.675 54.545 56.287 -0.112 0.000 0.895 349 K CB 1.148 33.610 32.500 -0.064 0.000 1.060 349 K HN 0.200 8.335 8.250 -0.192 0.000 0.448 350 K N 1.425 121.780 120.400 -0.075 0.000 2.363 350 K HA 0.004 nan 4.320 nan 0.000 0.289 350 K C -0.253 176.339 176.600 -0.015 0.000 1.063 350 K CA 0.013 56.273 56.287 -0.046 0.000 0.967 350 K CB -0.776 31.717 32.500 -0.012 0.000 0.987 350 K HN 0.080 8.298 8.250 -0.054 0.000 0.473 351 V N -2.979 116.928 119.914 -0.012 0.000 3.139 351 V HA 0.577 nan 4.120 nan 0.000 0.310 351 V C -1.232 174.942 176.094 0.133 0.000 1.260 351 V CA -3.009 59.335 62.300 0.073 0.000 1.064 351 V CB 3.258 35.149 31.823 0.113 0.000 1.160 351 V HN -0.360 7.806 8.190 -0.041 0.000 0.470 352 T N -2.918 111.751 114.554 0.192 0.000 2.815 352 T HA 0.725 nan 4.350 nan 0.000 0.289 352 T C -0.281 174.582 174.700 0.272 0.000 1.000 352 T CA -1.953 60.266 62.100 0.199 0.000 0.958 352 T CB 1.372 70.324 68.868 0.141 0.000 0.944 352 T HN 0.395 8.764 8.240 0.215 0.000 0.442 353 G N 4.083 113.070 108.800 0.311 0.000 2.340 353 G HA2 0.517 nan 3.960 nan 0.000 0.299 353 G HA3 0.517 nan 3.960 nan 0.000 0.299 353 G C -3.218 171.929 174.900 0.413 0.000 1.291 353 G CA 1.019 46.354 45.100 0.392 0.000 0.841 353 G HN 0.762 9.139 8.290 0.296 0.091 0.500 354 H N -2.460 116.771 119.070 0.268 0.000 2.524 354 H HA 0.854 nan 4.556 nan 0.000 0.353 354 H C -0.577 174.907 175.328 0.259 0.000 1.136 354 H CA -3.000 53.176 56.048 0.214 0.000 1.193 354 H CB 2.442 32.252 29.762 0.080 0.000 1.558 354 H HN 0.224 8.770 8.280 0.443 0.000 0.515 355 I N -2.053 118.647 120.570 0.216 0.000 2.412 355 I HA 0.848 nan 4.170 nan 0.000 0.296 355 I C -2.148 173.947 176.117 -0.036 0.000 0.987 355 I CA -1.748 59.530 61.300 -0.036 0.000 1.180 355 I CB 1.761 39.781 38.000 0.033 0.000 1.340 355 I HN 0.507 8.912 8.210 0.326 0.000 0.455 356 L N 5.394 126.498 121.223 -0.198 0.000 2.354 356 L HA 0.693 nan 4.340 nan 0.000 0.264 356 L C -1.921 174.882 176.870 -0.111 0.000 1.008 356 L CA -1.177 53.611 54.840 -0.086 0.000 0.819 356 L CB 3.469 45.508 42.059 -0.033 0.000 1.339 356 L HN 0.509 8.479 8.230 -0.432 0.000 0.420 357 V N 0.006 119.903 119.914 -0.028 0.000 2.876 357 V HA 0.554 nan 4.120 nan 0.000 0.312 357 V C -1.575 174.525 176.094 0.010 0.000 1.085 357 V CA -1.663 60.663 62.300 0.043 0.000 0.945 357 V CB 3.575 35.482 31.823 0.141 0.000 1.017 357 V HN -0.093 8.069 8.190 -0.046 0.000 0.428 358 S N 2.445 118.187 115.700 0.070 0.000 2.542 358 S HA 0.821 nan 4.470 nan 0.000 0.293 358 S C -1.729 172.941 174.600 0.116 0.000 1.089 358 S CA -1.566 56.679 58.200 0.074 0.000 0.961 358 S CB 2.512 65.830 63.200 0.197 0.000 1.062 358 S HN 0.202 8.574 8.310 0.104 0.000 0.483 359 L N 1.380 122.581 121.223 -0.035 0.000 2.329 359 L HA 0.835 nan 4.340 nan 0.000 0.279 359 L C -1.498 175.232 176.870 -0.233 0.000 1.014 359 L CA -0.635 54.147 54.840 -0.097 0.000 0.814 359 L CB 2.048 43.961 42.059 -0.243 0.000 1.257 359 L HN 0.219 8.379 8.230 -0.116 0.000 0.424 360 F N 1.683 121.496 119.950 -0.229 0.000 2.518 360 F HA 0.676 nan 4.527 nan 0.000 0.323 360 F C -0.794 174.900 175.800 -0.177 0.000 1.129 360 F CA -1.546 56.351 58.000 -0.173 0.000 0.920 360 F CB 3.179 42.093 39.000 -0.143 0.000 1.160 360 F HN 0.561 8.912 8.300 0.085 0.000 0.440 361 G N 2.540 111.315 108.800 -0.041 0.000 2.921 361 G HA2 0.365 nan 3.960 nan 0.000 0.291 361 G HA3 0.365 nan 3.960 nan 0.000 0.291 361 G C -1.518 173.363 174.900 -0.033 0.000 1.370 361 G CA -0.590 44.474 45.100 -0.060 0.000 0.847 361 G HN 0.175 8.405 8.290 -0.099 0.000 0.532 362 N N -1.086 117.596 118.700 -0.031 0.000 2.381 362 N HA -0.166 nan 4.740 nan 0.000 0.182 362 N C 1.177 176.668 175.510 -0.032 0.000 1.025 362 N CA 1.409 54.449 53.050 -0.016 0.000 0.888 362 N CB 0.420 38.906 38.487 -0.002 0.000 0.965 362 N HN -0.228 8.128 8.380 -0.040 0.000 0.438 363 K N -1.866 118.499 120.400 -0.059 0.000 2.128 363 K HA 0.049 nan 4.320 nan 0.000 0.202 363 K C 0.191 176.733 176.600 -0.097 0.000 1.050 363 K CA 1.393 57.634 56.287 -0.078 0.000 0.966 363 K CB 1.179 33.614 32.500 -0.108 0.000 0.759 363 K HN 0.216 8.398 8.250 -0.067 0.027 0.454 364 G N -3.153 105.570 108.800 -0.127 0.000 2.341 364 G HA2 -0.024 nan 3.960 nan 0.000 0.299 364 G HA3 -0.024 nan 3.960 nan 0.000 0.299 364 G C -3.178 171.570 174.900 -0.254 0.000 1.274 364 G CA 0.006 45.011 45.100 -0.159 0.000 0.853 364 G HN -0.651 7.560 8.290 -0.132 0.000 0.493 365 N N -2.529 115.958 118.700 -0.354 0.000 2.249 365 N HA 0.524 nan 4.740 nan 0.000 0.296 365 N C -0.896 174.355 175.510 -0.431 0.000 1.051 365 N CA -1.266 51.407 53.050 -0.629 0.000 0.815 365 N CB 3.157 40.864 38.487 -1.300 0.000 1.487 365 N HN 0.014 8.224 8.380 -0.283 0.000 0.475 366 S N 1.996 117.487 115.700 -0.348 0.000 2.640 366 S HA 0.175 nan 4.470 nan 0.000 0.262 366 S C -0.097 174.406 174.600 -0.161 0.000 1.232 366 S CA -0.024 58.110 58.200 -0.110 0.000 0.988 366 S CB 1.640 64.898 63.200 0.096 0.000 1.034 366 S HN 0.210 8.273 8.310 -0.411 0.000 0.569 367 K N -1.397 118.942 120.400 -0.102 0.000 2.488 367 K HA 0.059 nan 4.320 nan 0.000 0.255 367 K C -0.980 175.353 176.600 -0.445 0.000 1.036 367 K CA -0.527 55.568 56.287 -0.319 0.000 0.990 367 K CB 0.952 33.179 32.500 -0.455 0.000 1.304 367 K HN 0.244 8.555 8.250 0.100 0.000 0.505 368 Q N -2.323 117.179 119.800 -0.498 0.000 2.278 368 Q HA 0.237 nan 4.340 nan 0.000 0.257 368 Q C -0.329 175.279 176.000 -0.653 0.000 0.928 368 Q CA -0.521 55.048 55.803 -0.391 0.000 0.932 368 Q CB 0.977 29.602 28.738 -0.190 0.000 1.221 368 Q HN -0.004 8.000 8.270 -0.443 0.000 0.434 369 Y N 3.306 123.384 120.300 -0.369 0.000 2.328 369 Y HA 0.092 nan 4.550 nan 0.000 0.336 369 Y C -0.840 174.917 175.900 -0.238 0.000 0.960 369 Y CA -1.626 56.218 58.100 -0.427 0.000 1.134 369 Y CB 1.996 39.851 38.460 -1.009 0.000 1.166 369 Y HN 0.750 8.874 8.280 -0.259 0.000 0.464 370 E N 6.026 126.234 120.200 0.013 0.000 2.480 370 E HA -0.217 nan 4.350 nan 0.000 0.258 370 E C -0.688 175.983 176.600 0.117 0.000 0.984 370 E CA 0.902 57.349 56.400 0.080 0.000 0.930 370 E CB -0.010 29.733 29.700 0.072 0.000 0.936 370 E HN 0.527 8.878 8.360 -0.014 0.000 0.466 371 I N 6.902 127.573 120.570 0.169 0.000 2.927 371 I HA 0.010 nan 4.170 nan 0.000 0.268 371 I C -0.379 175.920 176.117 0.304 0.000 1.153 371 I CA 0.784 62.226 61.300 0.238 0.000 1.459 371 I CB 1.423 39.585 38.000 0.270 0.000 1.149 371 I HN 0.776 9.085 8.210 0.164 0.000 0.443 372 F N -0.749 119.252 119.950 0.085 0.000 2.665 372 F HA 0.213 nan 4.527 nan 0.000 0.308 372 F C -2.497 173.349 175.800 0.077 0.000 1.112 372 F CA -0.361 57.652 58.000 0.022 0.000 0.972 372 F CB 3.759 42.730 39.000 -0.049 0.000 1.295 372 F HN -0.804 7.677 8.300 0.300 0.000 0.440 373 K N 5.422 125.462 120.400 -0.599 0.000 2.705 373 K HA 0.465 nan 4.320 nan 0.000 0.238 373 K C -2.047 174.237 176.600 -0.527 0.000 0.996 373 K CA -0.824 55.281 56.287 -0.303 0.000 1.007 373 K CB 1.658 34.027 32.500 -0.219 0.000 1.206 373 K HN 0.132 7.615 8.250 -1.279 0.000 0.488 374 G N 3.393 112.058 108.800 -0.224 0.000 2.600 374 G HA2 -0.104 nan 3.960 nan 0.000 0.103 374 G HA3 -0.104 nan 3.960 nan 0.000 0.103 374 G C -2.845 172.200 174.900 0.241 0.000 1.090 374 G CA 1.098 46.152 45.100 -0.077 0.000 1.090 374 G HN 0.204 8.449 8.290 0.064 0.084 0.500 375 T N 4.295 119.053 114.554 0.340 0.000 2.738 375 T HA 0.190 nan 4.350 nan 0.000 0.294 375 T C -0.107 174.820 174.700 0.377 0.000 0.914 375 T CA 1.018 63.301 62.100 0.305 0.000 1.052 375 T CB -0.671 68.321 68.868 0.207 0.000 0.897 375 T HN -0.109 8.316 8.240 0.309 0.000 0.522 376 L N 8.749 130.140 121.223 0.280 0.000 2.356 376 L HA 0.129 nan 4.340 nan 0.000 0.282 376 L C -0.718 176.182 176.870 0.051 0.000 1.132 376 L CA -0.759 54.196 54.840 0.192 0.000 0.923 376 L CB -1.082 41.058 42.059 0.135 0.000 1.278 376 L HN 0.152 8.522 8.230 0.235 0.000 0.436 377 K N 3.991 124.411 120.400 0.033 0.000 2.201 377 K HA 0.318 nan 4.320 nan 0.000 0.278 377 K C -2.262 174.282 176.600 -0.093 0.000 1.027 377 K CA -3.718 52.553 56.287 -0.026 0.000 0.909 377 K CB -0.535 31.960 32.500 -0.008 0.000 1.062 377 K HN -0.592 7.705 8.250 0.079 0.000 0.465 378 P HA -0.165 nan 4.420 nan 0.000 0.264 378 P C -0.396 176.834 177.300 -0.116 0.000 1.193 378 P CA 0.620 63.648 63.100 -0.119 0.000 0.763 378 P CB 0.171 31.810 31.700 -0.102 0.000 0.810 379 D N 2.353 122.671 120.400 -0.136 0.000 3.017 379 D HA -0.404 nan 4.640 nan 0.000 0.220 379 D C -1.419 174.791 176.300 -0.151 0.000 1.141 379 D CA 1.527 55.452 54.000 -0.126 0.000 0.848 379 D CB -0.132 40.614 40.800 -0.091 0.000 1.102 379 D HN 0.738 8.879 8.370 -0.149 0.139 0.427 380 S N -0.987 114.578 115.700 -0.225 0.000 2.437 380 S HA 0.257 nan 4.470 nan 0.000 0.305 380 S C -0.728 173.562 174.600 -0.515 0.000 1.109 380 S CA -0.471 57.536 58.200 -0.322 0.000 1.099 380 S CB 2.255 65.254 63.200 -0.336 0.000 1.004 380 S HN -0.671 7.457 8.310 -0.234 0.042 0.475 381 T N 7.696 122.027 114.554 -0.372 0.000 2.869 381 T HA 0.231 nan 4.350 nan 0.000 0.295 381 T C -0.833 173.686 174.700 -0.302 0.000 0.987 381 T CA 0.254 62.183 62.100 -0.284 0.000 1.109 381 T CB 0.370 69.177 68.868 -0.101 0.000 0.932 381 T HN 0.469 8.562 8.240 -0.245 0.000 0.518 382 H N 6.418 125.439 119.070 -0.081 0.000 3.013 382 H HA 0.362 nan 4.556 nan 0.000 0.326 382 H C -1.071 174.282 175.328 0.043 0.000 0.973 382 H CA -1.789 54.205 56.048 -0.089 0.000 1.369 382 H CB 2.130 31.748 29.762 -0.241 0.000 1.598 382 H HN 0.671 8.799 8.280 -0.076 0.106 0.518 383 S N 4.354 120.165 115.700 0.184 0.000 2.608 383 S HA 0.534 nan 4.470 nan 0.000 0.291 383 S C -1.036 173.653 174.600 0.149 0.000 1.146 383 S CA -0.526 57.765 58.200 0.152 0.000 1.043 383 S CB 1.841 65.105 63.200 0.107 0.000 1.037 383 S HN 0.315 8.726 8.310 0.169 0.000 0.520 384 N N 1.800 120.580 118.700 0.133 0.000 2.516 384 N HA 0.284 nan 4.740 nan 0.000 0.268 384 N C -2.575 172.954 175.510 0.032 0.000 1.096 384 N CA 0.156 53.270 53.050 0.106 0.000 0.954 384 N CB 3.816 42.415 38.487 0.186 0.000 1.676 384 N HN 0.149 8.611 8.380 0.137 0.000 0.490 385 E N 3.221 123.351 120.200 -0.117 0.000 2.204 385 E HA 0.782 nan 4.350 nan 0.000 0.276 385 E C -0.936 175.518 176.600 -0.244 0.000 0.974 385 E CA -0.555 55.617 56.400 -0.380 0.000 0.815 385 E CB 2.660 32.019 29.700 -0.569 0.000 1.119 385 E HN 0.300 8.597 8.360 -0.105 0.000 0.393 386 F N 0.318 120.071 119.950 -0.328 0.000 2.662 386 F HA 0.356 nan 4.527 nan 0.000 0.312 386 F C -2.840 172.766 175.800 -0.323 0.000 1.113 386 F CA -2.217 55.588 58.000 -0.324 0.000 0.951 386 F CB 2.652 41.412 39.000 -0.401 0.000 1.344 386 F HN 0.536 8.287 8.300 -0.915 0.000 0.462 387 D N 0.975 121.372 120.400 -0.006 0.000 2.414 387 D HA 0.253 nan 4.640 nan 0.000 0.232 387 D C -1.552 174.808 176.300 0.101 0.000 1.070 387 D CA -0.245 53.778 54.000 0.040 0.000 0.839 387 D CB 0.792 41.638 40.800 0.076 0.000 1.079 387 D HN -0.028 8.355 8.370 0.023 0.000 0.521 388 S N 1.986 117.837 115.700 0.251 0.000 2.545 388 S HA 0.074 nan 4.470 nan 0.000 0.275 388 S C 0.845 175.734 174.600 0.481 0.000 1.299 388 S CA -0.631 57.786 58.200 0.361 0.000 1.048 388 S CB 1.118 64.619 63.200 0.502 0.000 0.938 388 S HN 0.613 9.015 8.310 0.305 0.091 0.496 389 D N 6.003 126.654 120.400 0.419 0.000 2.336 389 D HA 0.026 nan 4.640 nan 0.000 0.229 389 D C -1.092 175.446 176.300 0.396 0.000 1.061 389 D CA 0.393 54.630 54.000 0.395 0.000 0.875 389 D CB -0.177 40.772 40.800 0.248 0.000 0.904 389 D HN -0.156 8.476 8.370 0.437 0.000 0.525 390 V N -0.220 119.827 119.914 0.222 0.000 2.888 390 V HA 0.137 nan 4.120 nan 0.000 0.309 390 V C -2.585 173.198 176.094 -0.519 0.000 1.114 390 V CA -1.134 61.049 62.300 -0.195 0.000 0.940 390 V CB 4.638 36.391 31.823 -0.117 0.000 1.021 390 V HN -0.641 7.631 8.190 0.303 0.100 0.426 391 D N 5.045 124.769 120.400 -1.128 0.000 2.313 391 D HA 0.090 nan 4.640 nan 0.000 0.239 391 D C 0.016 176.083 176.300 -0.388 0.000 1.142 391 D CA -0.012 53.416 54.000 -0.954 0.000 0.847 391 D CB 0.635 40.653 40.800 -1.303 0.000 1.082 391 D HN -0.278 7.355 8.370 -1.228 0.000 0.480 392 V N 1.837 121.654 119.914 -0.162 0.000 2.719 392 V HA 0.206 nan 4.120 nan 0.000 0.252 392 V C 0.267 176.294 176.094 -0.113 0.000 1.065 392 V CA 0.059 62.259 62.300 -0.166 0.000 1.086 392 V CB 0.150 31.841 31.823 -0.220 0.000 0.700 392 V HN 0.094 8.290 8.190 0.011 0.000 0.467 393 G N -0.077 108.692 108.800 -0.051 0.000 2.481 393 G HA2 -0.407 nan 3.960 nan 0.000 0.230 393 G HA3 -0.407 nan 3.960 nan 0.000 0.230 393 G C -1.797 173.099 174.900 -0.008 0.000 1.210 393 G CA -0.690 44.398 45.100 -0.020 0.000 0.936 393 G HN -0.706 7.749 8.290 0.001 -0.164 0.583 394 D N 5.132 125.522 120.400 -0.016 0.000 2.371 394 D HA -0.006 nan 4.640 nan 0.000 0.256 394 D C 0.006 176.170 176.300 -0.228 0.000 1.193 394 D CA 0.965 54.926 54.000 -0.065 0.000 0.881 394 D CB 0.282 41.106 40.800 0.041 0.000 1.143 394 D HN -0.009 8.665 8.370 -0.002 -0.306 0.473 395 L N 4.150 125.014 121.223 -0.598 0.000 2.462 395 L HA -0.206 nan 4.340 nan 0.000 0.272 395 L C -0.027 176.775 176.870 -0.114 0.000 1.166 395 L CA 1.343 55.931 54.840 -0.419 0.000 0.880 395 L CB 0.091 41.821 42.059 -0.547 0.000 1.142 395 L HN 0.331 7.882 8.230 -1.132 0.000 0.473 396 Q N 6.804 126.607 119.800 0.005 0.000 2.304 396 Q HA 0.149 nan 4.340 nan 0.000 0.204 396 Q C -0.913 175.207 176.000 0.201 0.000 0.936 396 Q CA 1.410 57.280 55.803 0.112 0.000 0.878 396 Q CB 1.874 30.655 28.738 0.070 0.000 0.983 396 Q HN 0.785 8.909 8.270 -0.037 0.125 0.516 397 M N -7.657 111.919 119.600 -0.040 0.000 2.833 397 M HA 0.396 nan 4.480 nan 0.000 0.270 397 M C -2.551 173.412 176.300 -0.561 0.000 1.209 397 M CA -0.222 54.914 55.300 -0.273 0.000 0.826 397 M CB 4.564 37.071 32.600 -0.155 0.000 1.657 397 M HN -0.403 7.848 8.290 -0.065 0.000 0.492 398 V N -1.144 118.409 119.914 -0.602 0.000 2.925 398 V HA 0.647 nan 4.120 nan 0.000 0.311 398 V C -1.854 174.157 176.094 -0.140 0.000 1.104 398 V CA -1.041 61.045 62.300 -0.357 0.000 0.954 398 V CB 3.638 35.157 31.823 -0.507 0.000 1.022 398 V HN 0.093 8.002 8.190 -0.468 0.000 0.427 399 K N 2.552 122.953 120.400 0.002 0.000 2.324 399 K HA 0.852 nan 4.320 nan 0.000 0.253 399 K C -1.917 174.771 176.600 0.146 0.000 0.932 399 K CA -1.709 54.601 56.287 0.039 0.000 0.799 399 K CB 3.332 35.824 32.500 -0.012 0.000 1.154 399 K HN 0.244 8.543 8.250 0.082 0.000 0.425 400 F N 4.115 124.067 119.950 0.004 0.000 2.523 400 F HA 0.844 nan 4.527 nan 0.000 0.329 400 F C -2.152 173.664 175.800 0.026 0.000 1.061 400 F CA -1.829 56.195 58.000 0.040 0.000 0.967 400 F CB 4.171 43.204 39.000 0.054 0.000 1.218 400 F HN 0.783 9.124 8.300 0.251 0.110 0.480 401 I N -0.148 120.129 120.570 -0.488 0.000 2.714 401 I HA 0.296 nan 4.170 nan 0.000 0.290 401 I C -3.443 172.298 176.117 -0.626 0.000 1.663 401 I CA -0.138 60.947 61.300 -0.359 0.000 1.011 401 I CB 3.209 41.020 38.000 -0.315 0.000 1.462 401 I HN -0.136 7.336 8.210 -1.230 0.000 0.476 402 W N 3.605 124.516 121.300 -0.649 0.000 2.975 402 W HA 0.880 nan 4.660 nan 0.000 0.342 402 W C -2.970 173.195 176.519 -0.591 0.000 1.168 402 W CA -2.591 54.443 57.345 -0.518 0.000 1.141 402 W CB 3.051 32.389 29.460 -0.203 0.000 1.445 402 W HN 0.066 7.869 8.180 -0.629 0.000 0.560 403 Y N -1.921 118.115 120.300 -0.440 0.000 2.545 403 Y HA 0.202 nan 4.550 nan 0.000 0.348 403 Y C -1.571 174.286 175.900 -0.071 0.000 1.002 403 Y CA -1.309 56.498 58.100 -0.490 0.000 1.039 403 Y CB 3.585 41.761 38.460 -0.473 0.000 1.271 403 Y HN 0.437 8.708 8.280 -0.015 0.000 0.467 407 V N -3.993 115.978 119.914 0.095 0.000 2.674 407 V HA 0.092 nan 4.120 nan 0.000 0.279 407 V C -1.383 174.763 176.094 0.085 0.000 1.051 407 V CA -0.403 61.942 62.300 0.076 0.000 0.912 407 V CB 1.512 33.380 31.823 0.075 0.000 1.044 407 V HN -0.617 7.530 8.190 0.121 0.116 0.464 408 I N 4.231 124.836 120.570 0.059 0.000 2.483 408 I HA -0.027 nan 4.170 nan 0.000 0.291 408 I C -0.156 175.999 176.117 0.064 0.000 1.112 408 I CA -0.847 60.487 61.300 0.057 0.000 1.350 408 I CB -1.206 36.808 38.000 0.024 0.000 1.419 408 I HN -0.145 8.091 8.210 0.045 0.000 0.523 409 N N 10.715 129.470 118.700 0.091 0.000 2.497 409 N HA 0.116 nan 4.740 nan 0.000 0.268 409 N C -0.572 174.979 175.510 0.069 0.000 1.171 409 N CA -2.041 51.059 53.050 0.083 0.000 0.948 409 N CB 0.770 39.320 38.487 0.106 0.000 1.069 409 N HN -0.151 8.301 8.380 0.121 0.000 0.460 410 P HA -0.023 nan 4.420 nan 0.000 0.231 410 P C -0.763 176.563 177.300 0.044 0.000 1.158 410 P CA 1.446 64.570 63.100 0.041 0.000 0.763 410 P CB -0.208 31.511 31.700 0.031 0.000 0.805 411 T N -5.394 109.192 114.554 0.054 0.000 3.160 411 T HA -0.089 nan 4.350 nan 0.000 0.257 411 T C 0.225 174.963 174.700 0.064 0.000 1.147 411 T CA -0.555 61.576 62.100 0.052 0.000 1.064 411 T CB -0.480 68.418 68.868 0.050 0.000 0.949 411 T HN -0.491 7.717 8.240 0.060 0.068 0.526 412 L N -0.539 120.731 121.223 0.077 0.000 3.677 412 L HA -0.275 nan 4.340 nan 0.000 0.464 412 L C -1.553 175.398 176.870 0.135 0.000 1.278 412 L CA -1.165 53.731 54.840 0.093 0.000 0.806 412 L CB -2.480 39.617 42.059 0.063 0.000 1.610 412 L HN -0.507 7.686 8.230 0.073 0.081 0.867 413 P HA 0.071 nan 4.420 nan 0.000 0.269 413 P C -1.193 176.291 177.300 0.306 0.000 1.209 413 P CA -0.234 62.979 63.100 0.188 0.000 0.776 413 P CB 0.605 32.413 31.700 0.180 0.000 0.876 414 R N -1.351 119.235 120.500 0.143 0.000 2.534 414 R HA 0.696 nan 4.340 nan 0.000 0.301 414 R C -1.264 174.954 176.300 -0.136 0.000 0.961 414 R CA -1.035 55.169 56.100 0.172 0.000 0.871 414 R CB 2.812 33.178 30.300 0.110 0.000 1.170 414 R HN 0.059 8.358 8.270 0.048 0.000 0.446 415 V N 2.664 122.376 119.914 -0.337 0.000 2.864 415 V HA 0.832 nan 4.120 nan 0.000 0.314 415 V C -1.309 174.593 176.094 -0.320 0.000 1.073 415 V CA -2.252 59.663 62.300 -0.642 0.000 0.956 415 V CB 3.628 34.551 31.823 -1.501 0.000 1.023 415 V HN 0.811 9.044 8.190 0.073 0.000 0.435 416 G N 1.779 110.337 108.800 -0.403 0.000 2.727 416 G HA2 0.679 nan 3.960 nan 0.000 0.289 416 G HA3 0.679 nan 3.960 nan 0.000 0.289 416 G C -3.167 171.247 174.900 -0.810 0.000 1.418 416 G CA -1.058 43.715 45.100 -0.545 0.000 0.818 416 G HN 0.753 8.704 8.290 -0.392 0.104 0.486 417 A N -2.136 120.190 122.820 -0.824 0.000 2.310 417 A HA 0.568 nan 4.320 nan 0.000 0.304 417 A C -0.769 176.641 177.584 -0.289 0.000 1.231 417 A CA -1.371 50.315 52.037 -0.586 0.000 0.799 417 A CB 0.992 19.622 19.000 -0.615 0.000 1.162 417 A HN 0.215 7.956 8.150 -0.682 0.000 0.486 418 S N 2.457 118.039 115.700 -0.195 0.000 2.406 418 S HA -0.163 nan 4.470 nan 0.000 0.228 418 S C 0.531 175.092 174.600 -0.066 0.000 1.020 418 S CA 1.929 60.057 58.200 -0.119 0.000 0.965 418 S CB 0.833 63.971 63.200 -0.102 0.000 0.798 418 S HN 0.119 8.309 8.310 -0.199 0.000 0.488 419 K N 0.237 120.608 120.400 -0.049 0.000 2.527 419 K HA 0.596 nan 4.320 nan 0.000 0.260 419 K C -2.782 173.855 176.600 0.061 0.000 0.937 419 K CA -0.069 56.227 56.287 0.014 0.000 0.826 419 K CB 3.742 36.245 32.500 0.004 0.000 1.359 419 K HN -0.980 7.204 8.250 -0.079 0.019 0.434 420 I N 4.067 124.725 120.570 0.148 0.000 2.548 420 I HA 0.548 nan 4.170 nan 0.000 0.287 420 I C -1.788 174.504 176.117 0.292 0.000 1.103 420 I CA -0.695 60.734 61.300 0.214 0.000 1.049 420 I CB 3.801 41.945 38.000 0.239 0.000 1.232 420 I HN 0.662 8.975 8.210 0.172 0.000 0.429 421 I N 6.723 127.438 120.570 0.241 0.000 2.378 421 I HA 0.527 nan 4.170 nan 0.000 0.291 421 I C -1.385 174.908 176.117 0.292 0.000 0.992 421 I CA -1.095 60.357 61.300 0.253 0.000 1.154 421 I CB 1.507 39.601 38.000 0.156 0.000 1.315 421 I HN 0.660 8.989 8.210 0.198 0.000 0.448 422 V N 7.332 127.478 119.914 0.385 0.000 2.448 422 V HA 0.498 nan 4.120 nan 0.000 0.295 422 V C -1.815 174.524 176.094 0.408 0.000 1.025 422 V CA -1.700 60.827 62.300 0.379 0.000 0.859 422 V CB 1.165 33.226 31.823 0.396 0.000 0.988 422 V HN 0.840 9.309 8.190 0.464 0.000 0.431 423 E N 7.336 127.749 120.200 0.355 0.000 2.158 423 E HA 0.668 nan 4.350 nan 0.000 0.271 423 E C -0.836 176.036 176.600 0.453 0.000 0.911 423 E CA -2.029 54.575 56.400 0.340 0.000 0.767 423 E CB 3.948 33.812 29.700 0.273 0.000 1.120 423 E HN 0.797 9.346 8.360 0.315 0.000 0.405 424 T N 2.580 117.365 114.554 0.385 0.000 2.824 424 T HA 0.458 nan 4.350 nan 0.000 0.277 424 T C 1.708 176.529 174.700 0.202 0.000 0.975 424 T CA -1.718 60.581 62.100 0.333 0.000 0.966 424 T CB 1.030 70.093 68.868 0.325 0.000 1.054 424 T HN 0.378 8.806 8.240 0.313 0.000 0.533 425 N N 0.118 118.926 118.700 0.180 0.000 2.364 425 N HA -0.338 nan 4.740 nan 0.000 0.183 425 N C 1.706 177.180 175.510 -0.060 0.000 1.022 425 N CA 2.797 55.897 53.050 0.084 0.000 0.883 425 N CB -0.655 38.019 38.487 0.310 0.000 0.965 425 N HN 0.605 9.050 8.380 0.109 0.000 0.438 426 V N -7.981 111.935 119.914 0.005 0.000 3.623 426 V HA 0.244 nan 4.120 nan 0.000 0.271 426 V C 0.658 176.729 176.094 -0.038 0.000 1.248 426 V CA 0.087 62.383 62.300 -0.005 0.000 1.156 426 V CB -1.652 30.193 31.823 0.038 0.000 0.870 426 V HN -0.647 7.542 8.190 0.062 0.039 0.453 427 G N -0.002 108.754 108.800 -0.072 0.000 2.176 427 G HA2 -0.429 nan 3.960 nan 0.000 0.253 427 G HA3 -0.429 nan 3.960 nan 0.000 0.253 427 G C -1.219 173.659 174.900 -0.037 0.000 0.979 427 G CA -0.068 44.991 45.100 -0.070 0.000 0.641 427 G HN -0.052 7.999 8.290 -0.094 0.183 0.530 428 K N 1.719 122.103 120.400 -0.026 0.000 2.339 428 K HA -0.006 nan 4.320 nan 0.000 0.286 428 K C -1.044 175.473 176.600 -0.138 0.000 1.050 428 K CA -0.082 56.133 56.287 -0.120 0.000 0.956 428 K CB 0.653 33.066 32.500 -0.146 0.000 0.990 428 K HN -0.594 7.597 8.250 0.010 0.065 0.475 429 Q N 4.134 123.808 119.800 -0.210 0.000 2.271 429 Q HA 0.383 nan 4.340 nan 0.000 0.258 429 Q C -0.484 175.352 176.000 -0.273 0.000 0.936 429 Q CA -0.812 54.930 55.803 -0.103 0.000 0.909 429 Q CB 2.119 30.841 28.738 -0.026 0.000 1.253 429 Q HN 0.283 8.417 8.270 -0.226 0.000 0.440 430 F N 4.529 124.547 119.950 0.112 0.000 2.449 430 F HA 0.272 nan 4.527 nan 0.000 0.342 430 F C -1.342 174.426 175.800 -0.055 0.000 1.127 430 F CA -1.211 56.807 58.000 0.031 0.000 0.975 430 F CB 2.606 41.746 39.000 0.233 0.000 1.146 430 F HN 0.940 9.469 8.300 0.382 0.000 0.444 431 N N 2.968 121.583 118.700 -0.141 0.000 2.473 431 N HA 0.636 nan 4.740 nan 0.000 0.291 431 N C -1.375 173.768 175.510 -0.612 0.000 1.083 431 N CA 0.050 52.992 53.050 -0.180 0.000 0.951 431 N CB 1.801 40.221 38.487 -0.112 0.000 1.164 431 N HN 0.356 8.634 8.380 -0.169 0.000 0.480 432 F N 1.756 121.759 119.950 0.088 0.000 2.556 432 F HA 0.590 nan 4.527 nan 0.000 0.314 432 F C -1.411 174.405 175.800 0.026 0.000 1.106 432 F CA -1.278 56.758 58.000 0.060 0.000 0.911 432 F CB 4.002 43.043 39.000 0.068 0.000 1.190 432 F HN 0.441 8.848 8.300 0.178 0.000 0.448 433 c N 2.810 121.487 118.600 0.128 0.000 2.707 433 c HA 0.830 nan 4.570 nan 0.000 0.313 433 c C -1.985 172.128 174.090 0.037 0.000 1.209 433 c CA -1.626 54.735 56.329 0.053 0.000 1.635 433 c CB 3.778 46.294 42.510 0.009 0.000 2.206 433 c HN 1.134 9.441 8.230 0.129 0.000 0.485 434 S N 0.187 115.881 115.700 -0.010 0.000 2.566 434 S HA 0.456 nan 4.470 nan 0.000 0.273 434 S C -2.289 172.278 174.600 -0.055 0.000 1.157 434 S CA -2.646 55.535 58.200 -0.032 0.000 0.938 434 S CB 1.959 65.126 63.200 -0.055 0.000 1.087 434 S HN 0.150 8.445 8.310 -0.026 0.000 0.474 435 P HA 0.272 nan 4.420 nan 0.000 0.252 435 P C -0.343 176.924 177.300 -0.054 0.000 1.218 435 P CA 0.307 63.379 63.100 -0.047 0.000 0.807 435 P CB 0.521 32.201 31.700 -0.032 0.000 1.072 436 E N 0.179 120.347 120.200 -0.054 0.000 2.312 436 E HA 0.236 nan 4.350 nan 0.000 0.259 436 E C -1.377 175.178 176.600 -0.076 0.000 1.122 436 E CA -0.388 55.982 56.400 -0.050 0.000 0.922 436 E CB 1.615 31.297 29.700 -0.030 0.000 1.109 436 E HN -0.526 7.748 8.360 -0.052 0.054 0.442 437 T N -4.638 109.887 114.554 -0.049 0.000 2.912 437 T HA 0.592 nan 4.350 nan 0.000 0.299 437 T C -1.753 172.971 174.700 0.040 0.000 1.052 437 T CA -1.806 60.265 62.100 -0.049 0.000 0.996 437 T CB 2.027 70.855 68.868 -0.067 0.000 1.070 437 T HN -0.324 7.901 8.240 -0.025 0.000 0.465 438 V N -4.192 115.807 119.914 0.141 0.000 2.960 438 V HA 0.736 nan 4.120 nan 0.000 0.315 438 V C -1.414 174.931 176.094 0.418 0.000 1.087 438 V CA -3.488 58.943 62.300 0.219 0.000 0.982 438 V CB 3.447 35.393 31.823 0.204 0.000 1.039 438 V HN 0.977 9.161 8.190 0.159 0.102 0.437 439 R N 1.174 121.837 120.500 0.271 0.000 2.580 439 R HA 0.343 nan 4.340 nan 0.000 0.267 439 R C -0.405 175.876 176.300 -0.031 0.000 1.125 439 R CA -0.312 55.971 56.100 0.306 0.000 1.188 439 R CB 1.626 31.997 30.300 0.118 0.000 1.155 439 R HN 0.422 8.781 8.270 0.148 0.000 0.586 440 E N 0.573 120.461 120.200 -0.521 0.000 2.534 440 E HA -0.339 nan 4.350 nan 0.000 0.264 440 E C -0.128 176.002 176.600 -0.783 0.000 0.981 440 E CA 0.985 56.598 56.400 -1.311 0.000 0.948 440 E CB -0.395 28.710 29.700 -0.992 0.000 0.934 440 E HN -0.034 8.216 8.360 -0.183 0.000 0.459 441 E N -3.387 116.211 120.200 -1.004 0.000 2.586 441 E HA -0.583 nan 4.350 nan 0.000 0.259 441 E C -1.454 174.898 176.600 -0.414 0.000 1.107 441 E CA 1.043 56.993 56.400 -0.750 0.000 0.754 441 E CB -1.817 27.627 29.700 -0.427 0.000 1.335 441 E HN 0.325 7.825 8.360 -1.432 0.000 0.411 442 V N -2.344 117.365 119.914 -0.340 0.000 2.448 442 V HA 0.164 nan 4.120 nan 0.000 0.295 442 V C -0.770 175.276 176.094 -0.080 0.000 1.025 442 V CA -1.614 60.597 62.300 -0.147 0.000 0.859 442 V CB 1.700 33.487 31.823 -0.061 0.000 0.988 442 V HN -0.599 7.301 8.190 -0.439 0.027 0.431 443 L N 4.726 125.914 121.223 -0.059 0.000 2.361 443 L HA 0.068 nan 4.340 nan 0.000 0.278 443 L C -0.691 176.194 176.870 0.025 0.000 1.113 443 L CA -0.380 54.450 54.840 -0.017 0.000 0.849 443 L CB 0.288 42.326 42.059 -0.035 0.000 1.155 443 L HN 0.200 8.389 8.230 -0.069 0.000 0.452 444 L N 7.173 128.456 121.223 0.100 0.000 2.272 444 L HA 0.377 nan 4.340 nan 0.000 0.289 444 L C -1.524 175.371 176.870 0.041 0.000 1.032 444 L CA -1.033 53.859 54.840 0.087 0.000 0.810 444 L CB 2.516 44.664 42.059 0.150 0.000 1.205 444 L HN 0.719 8.937 8.230 0.160 0.109 0.422 445 T N 7.806 122.346 114.554 -0.023 0.000 2.733 445 T HA 0.390 nan 4.350 nan 0.000 0.294 445 T C -0.591 174.090 174.700 -0.031 0.000 0.956 445 T CA 0.070 62.125 62.100 -0.074 0.000 0.987 445 T CB 0.177 68.967 68.868 -0.130 0.000 0.920 445 T HN 0.398 8.624 8.240 -0.025 0.000 0.470 446 L N 7.510 128.728 121.223 -0.009 0.000 2.379 446 L HA 0.596 nan 4.340 nan 0.000 0.269 446 L C -0.335 176.627 176.870 0.155 0.000 1.084 446 L CA -0.657 54.226 54.840 0.072 0.000 0.802 446 L CB 1.394 43.532 42.059 0.132 0.000 1.175 446 L HN 0.767 8.974 8.230 -0.039 0.000 0.448 447 T N -1.448 113.224 114.554 0.197 0.000 2.942 447 T HA 0.613 nan 4.350 nan 0.000 0.289 447 T C -2.539 172.294 174.700 0.222 0.000 1.044 447 T CA -3.318 58.917 62.100 0.224 0.000 1.023 447 T CB 0.474 69.397 68.868 0.092 0.000 1.123 447 T HN 0.344 8.671 8.240 0.145 0.000 0.512 448 P HA 0.094 nan 4.420 nan 0.000 0.267 448 P C -1.322 175.905 177.300 -0.122 0.000 1.200 448 P CA 0.325 63.310 63.100 -0.191 0.000 0.772 448 P CB 0.149 31.795 31.700 -0.089 0.000 0.855 449 c N 0.000 118.494 118.600 -0.176 0.000 2.653 449 c HA 0.000 nan 4.570 nan 0.000 0.325 449 c CA 0.000 56.271 56.329 -0.096 0.000 1.963 449 c CB 0.000 42.473 42.510 -0.062 0.000 2.134 449 c HN 0.000 8.058 8.230 -0.286 0.000 0.568