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 1dm6_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.336 176.600 -0.441 0.000 0.988 69 K CA 0.000 56.051 56.287 -0.393 0.000 0.838 69 K CB 0.000 32.255 32.500 -0.408 0.000 1.064 70 F N 4.945 124.902 119.950 0.012 0.000 2.334 70 F HA 0.410 4.938 4.527 0.002 0.000 0.367 70 F C -1.974 173.902 175.800 0.127 0.000 1.115 70 F CA -1.851 56.175 58.000 0.044 0.000 1.116 70 F CB 1.158 40.172 39.000 0.024 0.000 1.230 70 F HN 0.128 nan 8.300 nan 0.000 0.484 71 P HA 0.036 nan 4.420 nan 0.000 0.271 71 P C -0.639 176.776 177.300 0.191 0.000 1.216 71 P CA -0.470 62.744 63.100 0.191 0.000 0.771 71 P CB 1.108 32.880 31.700 0.120 0.000 0.864 72 R N 2.813 123.374 120.500 0.103 0.000 2.267 72 R HA 0.329 4.670 4.340 0.002 0.000 0.319 72 R C -1.007 175.186 176.300 -0.179 0.000 1.067 72 R CA -0.411 55.553 56.100 -0.228 0.000 0.936 72 R CB 0.304 30.539 30.300 -0.108 0.000 1.006 72 R HN 0.280 nan 8.270 nan 0.000 0.452 73 V N 5.615 125.376 119.914 -0.255 0.000 2.384 73 V HA 0.322 4.443 4.120 0.002 0.000 0.287 73 V C -0.047 175.952 176.094 -0.158 0.000 1.020 73 V CA -0.668 61.564 62.300 -0.113 0.000 0.850 73 V CB 1.328 33.130 31.823 -0.035 0.000 0.987 73 V HN 0.709 nan 8.190 nan 0.000 0.436 74 K N 3.914 124.239 120.400 -0.124 0.000 2.203 74 K HA 0.414 4.735 4.320 0.002 0.000 0.251 74 K C -0.575 175.925 176.600 -0.166 0.000 0.944 74 K CA -0.720 55.417 56.287 -0.250 0.000 0.829 74 K CB 1.435 33.629 32.500 -0.511 0.000 1.125 74 K HN 0.706 nan 8.250 nan 0.000 0.430 75 N N 3.910 122.506 118.700 -0.173 0.000 2.437 75 N HA 0.091 4.832 4.740 0.002 0.000 0.259 75 N C -0.236 175.230 175.510 -0.072 0.000 0.983 75 N CA -0.335 52.720 53.050 0.009 0.000 0.937 75 N CB 0.484 38.996 38.487 0.042 0.000 1.122 75 N HN 0.658 nan 8.380 nan 0.000 0.499 76 W N 2.174 123.554 121.300 0.134 0.000 2.800 76 W HA 0.091 4.753 4.660 0.002 0.000 0.249 76 W C 2.067 178.643 176.519 0.095 0.000 1.294 76 W CA -0.037 57.381 57.345 0.121 0.000 1.402 76 W CB 0.249 29.804 29.460 0.159 0.000 1.126 76 W HN 0.671 nan 8.180 nan 0.000 0.652 77 E N 0.535 120.884 120.200 0.250 0.000 2.033 77 E HA -0.120 4.231 4.350 0.002 0.000 0.189 77 E C 1.766 178.397 176.600 0.051 0.000 0.979 77 E CA 1.077 57.529 56.400 0.086 0.000 0.802 77 E CB -0.279 29.437 29.700 0.028 0.000 0.763 77 E HN 0.239 nan 8.360 nan 0.000 0.449 78 L N -0.828 120.421 121.223 0.043 0.000 2.529 78 L HA 0.304 4.645 4.340 0.002 0.000 0.223 78 L C 1.606 178.457 176.870 -0.030 0.000 1.113 78 L CA 0.428 55.273 54.840 0.008 0.000 0.861 78 L CB 0.398 42.464 42.059 0.012 0.000 1.012 78 L HN 0.473 nan 8.230 nan 0.000 0.461 79 G N 0.439 109.195 108.800 -0.073 0.000 2.184 79 G HA2 -0.318 3.643 3.960 0.002 0.000 0.264 79 G HA3 -0.318 3.643 3.960 0.002 0.000 0.264 79 G C 0.444 175.250 174.900 -0.157 0.000 0.975 79 G CA 0.446 45.458 45.100 -0.147 0.000 0.642 79 G HN 0.466 nan 8.290 nan 0.000 0.536 80 S N -0.411 115.219 115.700 -0.116 0.000 2.593 80 S HA 0.719 5.190 4.470 0.002 0.000 0.269 80 S C 0.162 174.672 174.600 -0.149 0.000 1.334 80 S CA -0.229 57.909 58.200 -0.103 0.000 1.015 80 S CB 1.991 65.154 63.200 -0.061 0.000 0.912 80 S HN 0.632 nan 8.310 nan 0.000 0.541 81 I N 1.319 121.804 120.570 -0.142 0.000 2.647 81 I HA 0.505 4.676 4.170 0.002 0.000 0.295 81 I C -0.099 175.900 176.117 -0.197 0.000 1.078 81 I CA -0.503 60.672 61.300 -0.209 0.000 1.048 81 I CB 2.664 40.520 38.000 -0.239 0.000 1.239 81 I HN 0.990 nan 8.210 nan 0.000 0.421 82 T N 0.920 115.310 114.554 -0.272 0.000 2.865 82 T HA 0.643 4.994 4.350 0.002 0.000 0.294 82 T C -1.337 173.139 174.700 -0.373 0.000 1.119 82 T CA -0.799 61.188 62.100 -0.189 0.000 1.007 82 T CB 1.792 70.614 68.868 -0.076 0.000 1.225 82 T HN 0.302 nan 8.240 nan 0.000 0.515 83 Y N 0.123 120.419 120.300 -0.006 0.000 2.361 83 Y HA 0.436 4.987 4.550 0.002 0.000 0.337 83 Y C -0.209 175.699 175.900 0.014 0.000 0.965 83 Y CA -0.973 57.134 58.100 0.012 0.000 1.091 83 Y CB 1.796 40.249 38.460 -0.011 0.000 1.182 83 Y HN 0.720 nan 8.280 nan 0.000 0.450 84 D N 2.233 122.745 120.400 0.187 0.000 2.339 84 D HA 0.069 4.710 4.640 0.002 0.000 0.241 84 D C 0.770 177.179 176.300 0.181 0.000 1.183 84 D CA 0.226 54.317 54.000 0.152 0.000 0.859 84 D CB 1.230 42.129 40.800 0.165 0.000 1.067 84 D HN 0.790 nan 8.370 nan 0.000 0.484 85 T N 1.048 115.648 114.554 0.078 0.000 3.022 85 T HA -0.040 4.311 4.350 0.002 0.000 0.250 85 T C 1.807 176.551 174.700 0.074 0.000 1.060 85 T CA -0.261 61.862 62.100 0.040 0.000 1.013 85 T CB 0.085 68.773 68.868 -0.300 0.000 0.982 85 T HN 0.251 nan 8.240 nan 0.000 0.508 86 L N 2.408 123.648 121.223 0.029 0.000 2.201 86 L HA 0.079 4.420 4.340 0.002 0.000 0.212 86 L C 2.609 179.380 176.870 -0.165 0.000 1.105 86 L CA 1.204 56.053 54.840 0.014 0.000 0.775 86 L CB -0.894 41.233 42.059 0.114 0.000 0.913 86 L HN 0.660 nan 8.230 nan 0.000 0.440 87 C N -1.516 117.490 119.300 -0.489 0.000 2.419 87 C HA 0.050 4.511 4.460 0.002 0.000 0.283 87 C C 2.783 177.517 174.990 -0.426 0.000 1.373 87 C CA 0.192 58.552 59.018 -1.097 0.000 1.781 87 C CB -2.163 24.929 27.740 -1.079 0.000 1.886 87 C HN 0.575 nan 8.230 nan 0.000 0.520 88 A N 0.031 122.765 122.820 -0.142 0.000 2.067 88 A HA -0.095 4.226 4.320 0.002 0.000 0.219 88 A C 2.277 179.844 177.584 -0.029 0.000 1.158 88 A CA 1.345 53.355 52.037 -0.045 0.000 0.661 88 A CB -0.494 18.592 19.000 0.144 0.000 0.801 88 A HN 0.714 nan 8.150 nan 0.000 0.452 89 Q N 0.085 119.869 119.800 -0.027 0.000 2.472 89 Q HA 0.042 4.383 4.340 0.002 0.000 0.208 89 Q C 0.706 176.721 176.000 0.024 0.000 0.958 89 Q CA 0.292 56.104 55.803 0.015 0.000 0.932 89 Q CB -0.233 28.529 28.738 0.040 0.000 1.007 89 Q HN 0.519 nan 8.270 nan 0.000 0.508 90 S N 0.940 116.637 115.700 -0.004 0.000 2.516 90 S HA 0.017 4.488 4.470 0.002 0.000 0.282 90 S C 0.886 175.505 174.600 0.032 0.000 1.286 90 S CA 0.001 58.229 58.200 0.047 0.000 1.066 90 S CB 0.491 63.725 63.200 0.056 0.000 0.884 90 S HN 0.138 nan 8.310 nan 0.000 0.491 91 Q N 2.167 121.994 119.800 0.046 0.000 2.217 91 Q HA 0.204 4.545 4.340 0.002 0.000 0.217 91 Q C -0.202 175.817 176.000 0.032 0.000 0.844 91 Q CA 0.061 55.885 55.803 0.034 0.000 0.957 91 Q CB 0.623 29.385 28.738 0.039 0.000 1.127 91 Q HN 0.741 nan 8.270 nan 0.000 0.503 92 Q N 1.378 121.203 119.800 0.041 0.000 2.333 92 Q HA 0.243 4.584 4.340 0.002 0.000 0.267 92 Q C -1.382 174.643 176.000 0.040 0.000 1.012 92 Q CA -0.308 55.516 55.803 0.035 0.000 0.824 92 Q CB 1.246 30.004 28.738 0.033 0.000 1.290 92 Q HN -0.159 nan 8.270 nan 0.000 0.449 93 D N 2.360 122.778 120.400 0.030 0.000 2.345 93 D HA 0.386 5.027 4.640 0.002 0.000 0.247 93 D C 0.173 176.494 176.300 0.035 0.000 1.108 93 D CA 0.349 54.367 54.000 0.031 0.000 0.894 93 D CB 1.234 42.047 40.800 0.020 0.000 1.203 93 D HN 0.682 nan 8.370 nan 0.000 0.430 94 G N 1.176 110.001 108.800 0.041 0.000 2.532 94 G HA2 0.339 4.300 3.960 0.002 0.000 0.291 94 G HA3 0.339 4.300 3.960 0.002 0.000 0.291 94 G C -1.524 173.395 174.900 0.033 0.000 1.349 94 G CA -0.661 44.464 45.100 0.041 0.000 1.038 94 G HN 0.359 nan 8.290 nan 0.000 0.518 95 P HA 0.165 nan 4.420 nan 0.000 0.251 95 P C 0.274 177.590 177.300 0.026 0.000 1.223 95 P CA -0.060 63.056 63.100 0.028 0.000 0.796 95 P CB 0.167 31.885 31.700 0.031 0.000 1.068 96 C N 0.782 120.099 119.300 0.029 0.000 2.500 96 C HA 0.635 5.096 4.460 0.002 0.000 0.367 96 C C 1.030 176.031 174.990 0.018 0.000 1.283 96 C CA 0.173 59.206 59.018 0.025 0.000 2.456 96 C CB 0.918 28.676 27.740 0.030 0.000 2.457 96 C HN 0.379 nan 8.230 nan 0.000 0.632 97 T N -2.149 112.413 114.554 0.013 0.000 2.792 97 T HA 0.403 4.754 4.350 0.002 0.000 0.303 97 T C -2.598 172.105 174.700 0.005 0.000 1.310 97 T CA -0.965 61.140 62.100 0.008 0.000 1.007 97 T CB 1.156 70.027 68.868 0.006 0.000 1.335 97 T HN 0.258 nan 8.240 nan 0.000 0.504 98 P HA 0.070 nan 4.420 nan 0.000 0.225 98 P C 1.426 178.726 177.300 -0.000 0.000 1.148 98 P CA 0.495 63.595 63.100 -0.000 0.000 0.779 98 P CB 0.159 31.857 31.700 -0.003 0.000 0.780 99 R N -0.041 120.459 120.500 0.001 0.000 2.075 99 R HA -0.016 4.325 4.340 0.002 0.000 0.226 99 R C 0.510 176.811 176.300 0.000 0.000 1.114 99 R CA 0.856 56.956 56.100 0.000 0.000 0.972 99 R CB 0.238 30.538 30.300 0.000 0.000 0.869 99 R HN 0.058 nan 8.270 nan 0.000 0.437 100 R N -0.135 120.366 120.500 0.003 0.000 2.594 100 R HA 0.147 4.488 4.340 0.002 0.000 0.265 100 R C -1.745 174.559 176.300 0.007 0.000 1.070 100 R CA -0.721 55.381 56.100 0.003 0.000 0.909 100 R CB 0.071 30.373 30.300 0.003 0.000 1.243 100 R HN 0.096 nan 8.270 nan 0.000 0.455 101 C N 4.103 123.407 119.300 0.007 0.000 2.369 101 C HA 0.562 5.023 4.460 0.002 0.000 0.358 101 C C 0.804 175.806 174.990 0.019 0.000 1.274 101 C CA -0.637 58.389 59.018 0.013 0.000 1.935 101 C CB -0.786 26.958 27.740 0.007 0.000 2.431 101 C HN 0.775 nan 8.230 nan 0.000 0.545 102 L N 5.849 127.090 121.223 0.029 0.000 3.110 102 L HA 0.285 4.626 4.340 0.002 0.000 0.266 102 L C 2.044 178.947 176.870 0.055 0.000 1.257 102 L CA 0.215 55.077 54.840 0.037 0.000 1.038 102 L CB -0.173 41.905 42.059 0.032 0.000 1.395 102 L HN 1.025 nan 8.230 nan 0.000 0.566 103 G N 0.534 109.370 108.800 0.060 0.000 2.462 103 G HA2 -0.285 3.676 3.960 0.002 0.000 0.220 103 G HA3 -0.285 3.676 3.960 0.002 0.000 0.220 103 G C 1.630 176.608 174.900 0.131 0.000 1.121 103 G CA 1.238 46.390 45.100 0.088 0.000 0.758 103 G HN 0.523 nan 8.290 nan 0.000 0.559 104 S N -0.520 115.250 115.700 0.117 0.000 2.527 104 S HA 0.255 4.726 4.470 0.002 0.000 0.222 104 S C 0.778 175.473 174.600 0.159 0.000 0.985 104 S CA -0.364 57.926 58.200 0.149 0.000 0.921 104 S CB -0.078 63.181 63.200 0.098 0.000 0.772 104 S HN -0.005 nan 8.310 nan 0.000 0.529 105 L N 2.502 123.797 121.223 0.120 0.000 2.462 105 L HA 0.191 4.532 4.340 0.002 0.000 0.272 105 L C 1.410 178.367 176.870 0.144 0.000 1.166 105 L CA 0.205 55.107 54.840 0.103 0.000 0.880 105 L CB 0.560 42.656 42.059 0.061 0.000 1.142 105 L HN -0.005 nan 8.230 nan 0.000 0.473 106 V N 3.880 123.886 119.914 0.154 0.000 2.270 106 V HA -0.109 4.012 4.120 0.002 0.000 0.245 106 V C 0.882 176.997 176.094 0.035 0.000 1.043 106 V CA 1.251 63.670 62.300 0.198 0.000 1.014 106 V CB -0.339 31.602 31.823 0.197 0.000 0.645 106 V HN 0.493 nan 8.190 nan 0.000 0.447 107 L N -0.510 120.683 121.223 -0.049 0.000 2.322 107 L HA 0.495 4.836 4.340 0.002 0.000 0.269 107 L C -2.510 174.347 176.870 -0.022 0.000 1.012 107 L CA -1.883 52.882 54.840 -0.125 0.000 0.815 107 L CB 1.127 43.041 42.059 -0.241 0.000 1.295 107 L HN 0.041 nan 8.230 nan 0.000 0.438 108 P HA 0.241 nan 4.420 nan 0.000 0.278 108 P C -0.199 177.103 177.300 0.003 0.000 1.238 108 P CA -0.581 62.534 63.100 0.025 0.000 0.794 108 P CB 1.077 32.808 31.700 0.051 0.000 0.955 109 R N 2.404 122.907 120.500 0.005 0.000 2.127 109 R HA -0.004 4.337 4.340 0.002 0.000 0.217 109 R C 1.457 177.755 176.300 -0.003 0.000 1.074 109 R CA 1.674 57.772 56.100 -0.003 0.000 0.991 109 R CB -0.034 30.267 30.300 0.001 0.000 0.895 109 R HN 0.237 nan 8.270 nan 0.000 0.450 110 K N -1.729 118.673 120.400 0.004 0.000 2.550 110 K HA 0.206 4.527 4.320 0.002 0.000 0.205 110 K C 0.342 176.947 176.600 0.008 0.000 1.429 110 K CA 0.177 56.466 56.287 0.003 0.000 0.997 110 K CB 0.180 32.682 32.500 0.003 0.000 1.328 110 K HN 0.050 nan 8.250 nan 0.000 0.546 111 L N 2.804 124.037 121.223 0.017 0.000 2.962 111 L HA 0.090 4.431 4.340 0.002 0.000 0.263 111 L C 0.820 177.707 176.870 0.028 0.000 1.152 111 L CA 0.779 55.632 54.840 0.023 0.000 0.954 111 L CB -1.619 40.458 42.059 0.030 0.000 1.213 111 L HN 0.302 nan 8.230 nan 0.000 0.422 112 Q N -0.226 119.586 119.800 0.019 0.000 2.677 112 Q HA 0.138 4.479 4.340 0.002 0.000 0.187 112 Q C 0.131 176.137 176.000 0.011 0.000 1.146 112 Q CA 0.539 56.353 55.803 0.019 0.000 1.224 112 Q CB 0.525 29.262 28.738 -0.001 0.000 1.268 112 Q HN 0.206 nan 8.270 nan 0.000 0.674 113 T N 1.974 116.529 114.554 0.002 0.000 3.401 113 T HA 0.357 4.708 4.350 0.002 0.000 0.341 113 T C -0.661 174.027 174.700 -0.020 0.000 1.674 113 T CA -0.585 61.511 62.100 -0.008 0.000 1.600 113 T CB 0.188 69.053 68.868 -0.004 0.000 0.974 113 T HN 0.318 nan 8.240 nan 0.000 0.672 114 R N 2.280 122.769 120.500 -0.020 0.000 2.767 114 R HA 0.056 4.397 4.340 0.002 0.000 0.264 114 R C -2.089 174.195 176.300 -0.027 0.000 0.987 114 R CA -0.906 55.180 56.100 -0.024 0.000 1.114 114 R CB -0.327 29.962 30.300 -0.018 0.000 0.976 114 R HN 0.302 nan 8.270 nan 0.000 0.437 115 P HA -0.101 nan 4.420 nan 0.000 0.271 115 P C -0.107 177.178 177.300 -0.024 0.000 1.212 115 P CA 0.502 63.586 63.100 -0.026 0.000 0.788 115 P CB 0.426 32.113 31.700 -0.022 0.000 0.865 116 S N 0.823 116.510 115.700 -0.023 0.000 2.558 116 S HA 0.276 4.747 4.470 0.002 0.000 0.238 116 S C -1.571 173.019 174.600 -0.017 0.000 1.183 116 S CA -1.201 56.984 58.200 -0.025 0.000 1.185 116 S CB -0.329 62.849 63.200 -0.036 0.000 1.003 116 S HN 0.296 nan 8.310 nan 0.000 0.478 117 P HA 0.220 nan 4.420 nan 0.000 0.224 117 P C 0.793 178.091 177.300 -0.005 0.000 1.157 117 P CA 0.515 63.611 63.100 -0.007 0.000 0.799 117 P CB 0.031 31.728 31.700 -0.005 0.000 0.809 118 G N 1.234 110.030 108.800 -0.006 0.000 2.453 118 G HA2 0.526 4.487 3.960 0.002 0.000 0.323 118 G HA3 0.526 4.487 3.960 0.002 0.000 0.323 118 G C -2.883 172.014 174.900 -0.006 0.000 1.198 118 G CA -1.655 43.443 45.100 -0.003 0.000 0.959 118 G HN -0.111 nan 8.290 nan 0.000 0.482 119 P HA 0.181 nan 4.420 nan 0.000 0.267 119 P C -2.292 175.008 177.300 -0.001 0.000 1.205 119 P CA -0.741 62.358 63.100 -0.001 0.000 0.765 119 P CB 0.679 32.383 31.700 0.008 0.000 0.828 120 P HA 0.169 nan 4.420 nan 0.000 0.268 120 P C -2.451 174.854 177.300 0.009 0.000 1.205 120 P CA -1.354 61.745 63.100 -0.001 0.000 0.771 120 P CB -0.960 30.736 31.700 -0.007 0.000 0.858 121 P HA -0.095 nan 4.420 nan 0.000 0.253 121 P C 1.074 178.384 177.300 0.017 0.000 1.159 121 P CA 0.566 63.673 63.100 0.011 0.000 0.779 121 P CB -0.123 31.582 31.700 0.009 0.000 0.745 122 A N 5.314 128.145 122.820 0.018 0.000 1.915 122 A HA -0.293 4.028 4.320 0.002 0.000 0.220 122 A C 2.051 179.645 177.584 0.017 0.000 1.198 122 A CA 1.682 53.731 52.037 0.021 0.000 0.647 122 A CB -0.669 18.342 19.000 0.018 0.000 0.825 122 A HN 0.487 nan 8.150 nan 0.000 0.456 123 E N -0.856 119.351 120.200 0.012 0.000 2.038 123 E HA -0.255 4.096 4.350 0.002 0.000 0.195 123 E C 2.174 178.782 176.600 0.014 0.000 1.000 123 E CA 1.727 58.133 56.400 0.010 0.000 0.803 123 E CB -0.517 29.188 29.700 0.008 0.000 0.750 123 E HN 0.756 nan 8.360 nan 0.000 0.448 124 Q N 0.941 120.751 119.800 0.017 0.000 2.050 124 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 124 Q C 2.158 178.176 176.000 0.031 0.000 0.980 124 Q CA 1.049 56.864 55.803 0.021 0.000 0.840 124 Q CB -0.513 28.235 28.738 0.017 0.000 0.898 124 Q HN 0.249 nan 8.270 nan 0.000 0.424 125 L N -0.278 120.967 121.223 0.036 0.000 2.046 125 L HA -0.075 4.266 4.340 0.002 0.000 0.208 125 L C 2.060 178.962 176.870 0.053 0.000 1.077 125 L CA 1.577 56.454 54.840 0.062 0.000 0.747 125 L CB -0.904 41.201 42.059 0.076 0.000 0.896 125 L HN 0.435 nan 8.230 nan 0.000 0.432 126 L N -0.641 120.594 121.223 0.019 0.000 2.083 126 L HA -0.165 4.175 4.340 0.002 0.000 0.209 126 L C 2.718 179.587 176.870 -0.002 0.000 1.083 126 L CA 2.079 56.908 54.840 -0.017 0.000 0.752 126 L CB -0.816 41.233 42.059 -0.017 0.000 0.899 126 L HN 0.602 nan 8.230 nan 0.000 0.433 127 S N -1.813 113.899 115.700 0.020 0.000 2.387 127 S HA -0.214 4.257 4.470 0.002 0.000 0.226 127 S C 1.889 176.525 174.600 0.060 0.000 1.026 127 S CA 0.977 59.196 58.200 0.033 0.000 0.972 127 S CB -0.613 62.605 63.200 0.030 0.000 0.814 127 S HN 0.622 nan 8.310 nan 0.000 0.477 128 Q N 1.100 120.942 119.800 0.071 0.000 2.119 128 Q HA 0.069 4.410 4.340 0.002 0.000 0.201 128 Q C 2.585 178.682 176.000 0.162 0.000 0.972 128 Q CA 1.353 57.220 55.803 0.106 0.000 0.847 128 Q CB -0.488 28.305 28.738 0.091 0.000 0.903 128 Q HN 0.775 nan 8.270 nan 0.000 0.433 129 A N 1.203 124.097 122.820 0.123 0.000 1.873 129 A HA -0.169 4.152 4.320 0.002 0.000 0.215 129 A C 1.989 179.652 177.584 0.132 0.000 1.186 129 A CA 1.126 53.230 52.037 0.111 0.000 0.616 129 A CB -0.348 18.483 19.000 -0.281 0.000 0.823 129 A HN 0.190 nan 8.150 nan 0.000 0.442 130 R N -0.477 120.060 120.500 0.062 0.000 2.091 130 R HA -0.181 4.160 4.340 0.002 0.000 0.238 130 R C 2.022 178.403 176.300 0.135 0.000 1.136 130 R CA 1.707 57.854 56.100 0.078 0.000 0.959 130 R CB -0.477 29.845 30.300 0.037 0.000 0.856 130 R HN 0.716 nan 8.270 nan 0.000 0.437 131 D N 0.085 120.571 120.400 0.143 0.000 2.117 131 D HA -0.209 4.432 4.640 0.002 0.000 0.197 131 D C 1.653 178.076 176.300 0.205 0.000 0.987 131 D CA 0.997 55.089 54.000 0.154 0.000 0.829 131 D CB -0.071 40.814 40.800 0.142 0.000 0.961 131 D HN 0.148 nan 8.370 nan 0.000 0.460 132 F N 0.903 120.942 119.950 0.148 0.000 2.102 132 F HA -0.094 4.434 4.527 0.002 0.000 0.298 132 F C 1.982 177.930 175.800 0.246 0.000 1.105 132 F CA 1.112 59.234 58.000 0.204 0.000 1.239 132 F CB -0.318 38.804 39.000 0.203 0.000 0.991 132 F HN -0.030 nan 8.300 nan 0.000 0.474 133 I N 1.109 121.713 120.570 0.056 0.000 2.208 133 I HA -0.332 3.839 4.170 0.002 0.000 0.245 133 I C 2.061 178.213 176.117 0.058 0.000 1.097 133 I CA 1.297 62.624 61.300 0.046 0.000 1.363 133 I CB -1.698 36.446 38.000 0.239 0.000 1.051 133 I HN 0.265 nan 8.210 nan 0.000 0.413 134 N N 0.896 119.661 118.700 0.108 0.000 2.084 134 N HA -0.200 4.541 4.740 0.002 0.000 0.190 134 N C 1.863 177.332 175.510 -0.068 0.000 1.030 134 N CA 1.194 54.298 53.050 0.090 0.000 0.849 134 N CB -0.352 38.223 38.487 0.147 0.000 1.012 134 N HN 0.512 nan 8.380 nan 0.000 0.423 135 Q N -0.562 119.207 119.800 -0.051 0.000 2.050 135 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 135 Q C 1.843 177.633 176.000 -0.350 0.000 0.980 135 Q CA 1.312 57.094 55.803 -0.035 0.000 0.840 135 Q CB -0.269 28.587 28.738 0.196 0.000 0.898 135 Q HN 0.447 nan 8.270 nan 0.000 0.424 136 Y N 0.073 119.925 120.300 -0.747 0.000 2.097 136 Y HA -0.312 4.239 4.550 0.002 0.000 0.282 136 Y C 1.741 177.074 175.900 -0.945 0.000 1.152 136 Y CA 1.713 59.044 58.100 -1.281 0.000 1.136 136 Y CB -0.571 37.256 38.460 -1.055 0.000 0.975 136 Y HN 0.102 nan 8.280 nan 0.000 0.498 137 Y N -0.797 119.051 120.300 -0.755 0.000 2.333 137 Y HA -0.196 4.355 4.550 0.002 0.000 0.290 137 Y C 3.045 178.590 175.900 -0.592 0.000 1.144 137 Y CA 1.688 59.331 58.100 -0.761 0.000 1.228 137 Y CB -0.603 37.343 38.460 -0.856 0.000 0.985 137 Y HN 0.235 nan 8.280 nan 0.000 0.542 138 S N -0.671 114.808 115.700 -0.369 0.000 2.406 138 S HA -0.181 4.290 4.470 0.002 0.000 0.228 138 S C 2.351 176.783 174.600 -0.280 0.000 1.020 138 S CA 1.245 59.303 58.200 -0.236 0.000 0.965 138 S CB -0.611 62.507 63.200 -0.137 0.000 0.798 138 S HN 0.573 nan 8.310 nan 0.000 0.488 139 S N 2.139 117.566 115.700 -0.456 0.000 2.382 139 S HA -0.070 4.401 4.470 0.002 0.000 0.228 139 S C 1.649 176.018 174.600 -0.386 0.000 1.027 139 S CA 1.139 59.096 58.200 -0.405 0.000 0.991 139 S CB -0.952 61.820 63.200 -0.713 0.000 0.823 139 S HN 0.810 nan 8.310 nan 0.000 0.469 140 I N -2.353 117.885 120.570 -0.553 0.000 3.855 140 I HA 0.429 4.600 4.170 0.002 0.000 0.327 140 I C 0.126 176.092 176.117 -0.252 0.000 1.359 140 I CA -0.574 60.476 61.300 -0.416 0.000 1.142 140 I CB -0.585 37.068 38.000 -0.578 0.000 1.041 140 I HN 0.034 nan 8.210 nan 0.000 0.403 141 K N 1.629 121.904 120.400 -0.209 0.000 3.016 141 K HA -0.188 4.133 4.320 0.002 0.000 0.262 141 K C 0.216 176.766 176.600 -0.083 0.000 1.043 141 K CA 0.855 57.070 56.287 -0.121 0.000 0.761 141 K CB -1.380 31.068 32.500 -0.087 0.000 1.230 141 K HN 0.606 nan 8.250 nan 0.000 0.485 142 R N 0.324 120.776 120.500 -0.080 0.000 2.700 142 R HA 0.104 4.445 4.340 0.002 0.000 0.377 142 R C 0.111 176.433 176.300 0.037 0.000 1.130 142 R CA -0.192 55.915 56.100 0.011 0.000 1.055 142 R CB 1.154 31.506 30.300 0.088 0.000 1.387 142 R HN 0.124 nan 8.270 nan 0.000 0.580 143 S N -0.316 115.380 115.700 -0.006 0.000 2.563 143 S HA 0.185 4.656 4.470 0.002 0.000 0.284 143 S C 1.534 176.238 174.600 0.174 0.000 1.331 143 S CA 1.262 59.503 58.200 0.069 0.000 1.047 143 S CB 0.650 63.872 63.200 0.037 0.000 0.859 143 S HN 0.694 nan 8.310 nan 0.000 0.514 144 G N 2.506 111.532 108.800 0.376 0.000 2.238 144 G HA2 -0.336 3.625 3.960 0.002 0.000 0.270 144 G HA3 -0.336 3.625 3.960 0.002 0.000 0.270 144 G C 0.426 175.324 174.900 -0.004 0.000 0.977 144 G CA 0.990 46.124 45.100 0.056 0.000 0.639 144 G HN 1.718 nan 8.290 nan 0.000 0.544 145 S N -0.841 114.874 115.700 0.025 0.000 2.598 145 S HA 0.317 4.788 4.470 0.002 0.000 0.256 145 S C 1.367 175.933 174.600 -0.057 0.000 1.350 145 S CA 0.810 59.001 58.200 -0.014 0.000 0.984 145 S CB 0.988 64.192 63.200 0.007 0.000 0.930 145 S HN 0.596 nan 8.310 nan 0.000 0.577 146 Q N 0.423 120.198 119.800 -0.043 0.000 2.079 146 Q HA -0.099 4.242 4.340 0.002 0.000 0.200 146 Q C 2.264 178.223 176.000 -0.069 0.000 0.974 146 Q CA 1.422 57.195 55.803 -0.051 0.000 0.840 146 Q CB -0.766 27.957 28.738 -0.024 0.000 0.898 146 Q HN 0.915 nan 8.270 nan 0.000 0.430 147 A N 0.156 122.944 122.820 -0.053 0.000 1.902 147 A HA -0.250 4.071 4.320 0.002 0.000 0.217 147 A C 1.881 179.285 177.584 -0.300 0.000 1.181 147 A CA 1.714 53.723 52.037 -0.047 0.000 0.623 147 A CB -1.062 18.012 19.000 0.123 0.000 0.818 147 A HN 0.709 nan 8.150 nan 0.000 0.443 148 H N -1.020 117.598 119.070 -0.752 0.000 2.293 148 H HA -0.152 4.405 4.556 0.002 0.000 0.300 148 H C 2.225 177.256 175.328 -0.494 0.000 1.082 148 H CA 1.554 56.920 56.048 -1.137 0.000 1.308 148 H CB 0.011 29.300 29.762 -0.789 0.000 1.375 148 H HN 0.637 nan 8.280 nan 0.000 0.495 149 E N 0.157 120.180 120.200 -0.295 0.000 2.077 149 E HA -0.173 4.178 4.350 0.002 0.000 0.193 149 E C 2.071 178.584 176.600 -0.146 0.000 0.989 149 E CA 1.341 57.587 56.400 -0.256 0.000 0.800 149 E CB 0.151 29.738 29.700 -0.188 0.000 0.746 149 E HN 0.646 nan 8.360 nan 0.000 0.452 150 E N -0.089 120.050 120.200 -0.102 0.000 2.107 150 E HA -0.193 4.158 4.350 0.002 0.000 0.191 150 E C 2.189 178.783 176.600 -0.010 0.000 0.982 150 E CA 0.622 56.996 56.400 -0.043 0.000 0.809 150 E CB -0.055 29.634 29.700 -0.017 0.000 0.756 150 E HN -0.011 nan 8.360 nan 0.000 0.459 151 R N 1.525 122.026 120.500 0.001 0.000 2.092 151 R HA -0.071 4.270 4.340 0.002 0.000 0.231 151 R C 2.083 178.422 176.300 0.065 0.000 1.119 151 R CA 1.073 57.226 56.100 0.089 0.000 0.970 151 R CB -0.606 29.828 30.300 0.224 0.000 0.864 151 R HN 0.152 nan 8.270 nan 0.000 0.440 152 L N 0.292 121.524 121.223 0.016 0.000 2.083 152 L HA -0.197 4.144 4.340 0.002 0.000 0.209 152 L C 2.486 179.339 176.870 -0.029 0.000 1.083 152 L CA 1.619 56.453 54.840 -0.009 0.000 0.752 152 L CB -0.389 41.629 42.059 -0.067 0.000 0.899 152 L HN 0.338 nan 8.230 nan 0.000 0.433 153 Q N -0.359 119.423 119.800 -0.030 0.000 2.079 153 Q HA -0.219 4.122 4.340 0.002 0.000 0.200 153 Q C 2.066 178.064 176.000 -0.002 0.000 0.974 153 Q CA 1.390 57.180 55.803 -0.022 0.000 0.840 153 Q CB -0.127 28.598 28.738 -0.023 0.000 0.898 153 Q HN 0.542 nan 8.270 nan 0.000 0.430 154 E N 0.236 120.446 120.200 0.018 0.000 2.058 154 E HA -0.186 4.165 4.350 0.002 0.000 0.194 154 E C 2.144 178.767 176.600 0.037 0.000 0.997 154 E CA 1.528 57.954 56.400 0.043 0.000 0.801 154 E CB -0.053 29.691 29.700 0.073 0.000 0.746 154 E HN 0.126 nan 8.360 nan 0.000 0.450 155 V N 1.868 121.782 119.914 0.000 0.000 2.343 155 V HA -0.243 3.878 4.120 0.002 0.000 0.247 155 V C 2.231 178.268 176.094 -0.095 0.000 1.051 155 V CA 1.690 63.927 62.300 -0.104 0.000 1.036 155 V CB -0.483 31.179 31.823 -0.269 0.000 0.654 155 V HN 0.230 nan 8.190 nan 0.000 0.451 156 E N 0.436 120.598 120.200 -0.063 0.000 2.058 156 E HA -0.253 4.098 4.350 0.002 0.000 0.194 156 E C 2.407 179.002 176.600 -0.008 0.000 0.997 156 E CA 1.627 58.002 56.400 -0.041 0.000 0.801 156 E CB -0.473 29.208 29.700 -0.032 0.000 0.746 156 E HN 0.584 nan 8.360 nan 0.000 0.450 157 A N 1.655 124.479 122.820 0.007 0.000 1.883 157 A HA -0.248 4.073 4.320 0.002 0.000 0.217 157 A C 2.053 179.665 177.584 0.046 0.000 1.186 157 A CA 1.741 53.793 52.037 0.025 0.000 0.624 157 A CB -0.519 18.499 19.000 0.030 0.000 0.822 157 A HN 0.224 nan 8.150 nan 0.000 0.444 158 E N -0.507 119.736 120.200 0.071 0.000 2.072 158 E HA -0.109 4.242 4.350 0.002 0.000 0.191 158 E C 2.065 178.732 176.600 0.111 0.000 0.985 158 E CA 1.282 57.752 56.400 0.116 0.000 0.801 158 E CB -0.258 29.562 29.700 0.200 0.000 0.750 158 E HN 0.422 nan 8.360 nan 0.000 0.452 159 V N 1.478 121.445 119.914 0.089 0.000 2.295 159 V HA -0.258 3.863 4.120 0.002 0.000 0.246 159 V C 2.374 178.500 176.094 0.052 0.000 1.049 159 V CA 1.846 64.193 62.300 0.079 0.000 1.024 159 V CB -0.730 31.117 31.823 0.040 0.000 0.648 159 V HN 0.293 nan 8.190 nan 0.000 0.447 160 A N -0.461 122.380 122.820 0.035 0.000 1.972 160 A HA -0.177 4.144 4.320 0.002 0.000 0.219 160 A C 2.421 180.025 177.584 0.032 0.000 1.169 160 A CA 2.315 54.368 52.037 0.027 0.000 0.635 160 A CB -0.438 18.573 19.000 0.017 0.000 0.810 160 A HN 0.535 nan 8.150 nan 0.000 0.446 161 S N -1.378 114.347 115.700 0.042 0.000 2.456 161 S HA -0.026 4.445 4.470 0.002 0.000 0.224 161 S C 1.883 176.513 174.600 0.049 0.000 1.035 161 S CA 1.336 59.561 58.200 0.042 0.000 0.940 161 S CB 0.004 63.231 63.200 0.044 0.000 0.799 161 S HN 0.865 nan 8.310 nan 0.000 0.508 162 T N -2.308 112.285 114.554 0.065 0.000 3.010 162 T HA 0.458 4.809 4.350 0.002 0.000 0.257 162 T C 1.431 176.168 174.700 0.062 0.000 1.020 162 T CA 0.789 62.931 62.100 0.070 0.000 0.938 162 T CB 0.476 69.404 68.868 0.100 0.000 1.049 162 T HN 0.509 nan 8.240 nan 0.000 0.522 163 G N 0.249 109.085 108.800 0.060 0.000 2.159 163 G HA2 -0.184 3.777 3.960 0.002 0.000 0.256 163 G HA3 -0.184 3.777 3.960 0.002 0.000 0.256 163 G C 0.176 175.111 174.900 0.060 0.000 0.977 163 G CA 0.587 45.717 45.100 0.050 0.000 0.652 163 G HN 1.040 nan 8.290 nan 0.000 0.531 164 T N -1.682 112.926 114.554 0.090 0.000 2.653 164 T HA 0.684 5.035 4.350 0.002 0.000 0.306 164 T C -1.214 173.607 174.700 0.201 0.000 1.426 164 T CA 0.440 62.597 62.100 0.094 0.000 1.008 164 T CB 1.262 70.103 68.868 -0.044 0.000 1.692 164 T HN 1.588 nan 8.240 nan 0.000 0.483 165 Y N -0.829 119.406 120.300 -0.108 0.000 2.853 165 Y HA 0.834 5.385 4.550 0.002 0.000 0.326 165 Y C -1.731 174.010 175.900 -0.264 0.000 1.384 165 Y CA -1.195 56.890 58.100 -0.024 0.000 1.077 165 Y CB 0.866 39.351 38.460 0.042 0.000 1.395 165 Y HN 0.769 nan 8.280 nan 0.000 0.451 166 H N 0.541 119.619 119.070 0.012 0.000 2.717 166 H HA 0.637 5.194 4.556 0.002 0.000 0.366 166 H C -1.162 174.203 175.328 0.063 0.000 1.132 166 H CA -0.810 55.191 56.048 -0.078 0.000 1.180 166 H CB 2.018 31.785 29.762 0.007 0.000 1.678 166 H HN 0.717 nan 8.280 nan 0.000 0.537 167 L N 2.210 123.494 121.223 0.101 0.000 2.375 167 L HA 0.495 4.836 4.340 0.002 0.000 0.271 167 L C 0.541 177.480 176.870 0.115 0.000 1.107 167 L CA -0.698 54.232 54.840 0.149 0.000 0.806 167 L CB 0.832 42.939 42.059 0.081 0.000 1.146 167 L HN 0.424 nan 8.230 nan 0.000 0.447 168 R N 0.759 121.309 120.500 0.084 0.000 2.531 168 R HA 0.061 4.402 4.340 0.002 0.000 0.273 168 R C 0.949 177.243 176.300 -0.011 0.000 1.070 168 R CA -0.424 55.697 56.100 0.034 0.000 1.112 168 R CB 0.993 31.300 30.300 0.012 0.000 1.049 168 R HN 0.642 nan 8.270 nan 0.000 0.508 169 E N 1.229 121.422 120.200 -0.012 0.000 2.070 169 E HA -0.274 4.077 4.350 0.002 0.000 0.197 169 E C 1.526 178.105 176.600 -0.035 0.000 1.004 169 E CA 2.369 58.752 56.400 -0.029 0.000 0.805 169 E CB 0.066 29.756 29.700 -0.016 0.000 0.744 169 E HN 0.689 nan 8.360 nan 0.000 0.451 170 S N 0.009 115.687 115.700 -0.036 0.000 2.383 170 S HA -0.231 4.240 4.470 0.002 0.000 0.229 170 S C 1.842 176.387 174.600 -0.090 0.000 1.030 170 S CA 1.469 59.660 58.200 -0.015 0.000 1.002 170 S CB -0.368 62.851 63.200 0.032 0.000 0.829 170 S HN 0.354 nan 8.310 nan 0.000 0.467 171 E N 0.747 120.781 120.200 -0.276 0.000 2.072 171 E HA -0.017 4.334 4.350 0.002 0.000 0.191 171 E C 2.013 178.705 176.600 0.153 0.000 0.985 171 E CA 1.009 57.250 56.400 -0.266 0.000 0.801 171 E CB -0.288 29.315 29.700 -0.163 0.000 0.750 171 E HN 0.434 nan 8.360 nan 0.000 0.452 172 L N 0.538 121.773 121.223 0.020 0.000 2.083 172 L HA -0.162 4.179 4.340 0.002 0.000 0.209 172 L C 2.090 178.935 176.870 -0.041 0.000 1.083 172 L CA 1.338 56.136 54.840 -0.071 0.000 0.752 172 L CB -0.201 41.761 42.059 -0.162 0.000 0.899 172 L HN -0.036 nan 8.230 nan 0.000 0.433 173 V N -0.631 119.294 119.914 0.018 0.000 2.307 173 V HA -0.295 3.826 4.120 0.002 0.000 0.245 173 V C 2.300 178.480 176.094 0.144 0.000 1.045 173 V CA 2.053 64.380 62.300 0.044 0.000 1.024 173 V CB -0.991 30.864 31.823 0.054 0.000 0.651 173 V HN 0.544 nan 8.190 nan 0.000 0.449 174 F N 2.281 122.303 119.950 0.119 0.000 2.095 174 F HA -0.086 4.442 4.527 0.002 0.000 0.298 174 F C 2.196 178.128 175.800 0.220 0.000 1.104 174 F CA 1.808 59.932 58.000 0.206 0.000 1.232 174 F CB -1.031 38.158 39.000 0.316 0.000 0.987 174 F HN 0.126 nan 8.300 nan 0.000 0.475 175 G N -0.272 108.594 108.800 0.110 0.000 2.440 175 G HA2 -0.226 3.735 3.960 0.002 0.000 0.218 175 G HA3 -0.226 3.735 3.960 0.002 0.000 0.218 175 G C 1.831 176.609 174.900 -0.204 0.000 1.154 175 G CA 0.992 46.066 45.100 -0.043 0.000 0.767 175 G HN 0.676 nan 8.290 nan 0.000 0.552 176 A N 0.980 123.708 122.820 -0.154 0.000 1.877 176 A HA -0.039 4.282 4.320 0.002 0.000 0.216 176 A C 2.313 179.888 177.584 -0.015 0.000 1.186 176 A CA 2.058 54.009 52.037 -0.143 0.000 0.620 176 A CB -0.416 18.532 19.000 -0.086 0.000 0.822 176 A HN 0.382 nan 8.150 nan 0.000 0.443 177 K N -0.712 119.724 120.400 0.059 0.000 2.097 177 K HA -0.152 4.169 4.320 0.002 0.000 0.206 177 K C 2.299 178.947 176.600 0.080 0.000 1.049 177 K CA 1.413 57.838 56.287 0.231 0.000 0.933 177 K CB -0.144 32.546 32.500 0.317 0.000 0.717 177 K HN 0.415 nan 8.250 nan 0.000 0.442 178 Q N 0.104 119.777 119.800 -0.212 0.000 2.119 178 Q HA -0.072 4.269 4.340 0.002 0.000 0.201 178 Q C 2.211 178.057 176.000 -0.256 0.000 0.972 178 Q CA 1.436 57.017 55.803 -0.371 0.000 0.847 178 Q CB -0.243 28.174 28.738 -0.535 0.000 0.903 178 Q HN 0.336 nan 8.270 nan 0.000 0.433 179 A N 0.277 122.953 122.820 -0.240 0.000 1.902 179 A HA -0.184 4.137 4.320 0.002 0.000 0.217 179 A C 1.813 179.387 177.584 -0.017 0.000 1.181 179 A CA 1.404 53.255 52.037 -0.311 0.000 0.623 179 A CB -0.935 17.585 19.000 -0.800 0.000 0.818 179 A HN 0.538 nan 8.150 nan 0.000 0.443 180 W N 0.952 122.222 121.300 -0.049 0.000 2.381 180 W HA -0.100 4.560 4.660 0.001 0.000 0.301 180 W C 2.304 178.782 176.519 -0.069 0.000 1.205 180 W CA 1.445 58.823 57.345 0.055 0.000 1.285 180 W CB -0.660 28.837 29.460 0.062 0.000 1.133 180 W HN 0.359 nan 8.180 nan 0.000 0.521 181 R N 0.402 120.800 120.500 -0.170 0.000 2.105 181 R HA -0.188 4.153 4.340 0.002 0.000 0.239 181 R C 1.588 177.713 176.300 -0.292 0.000 1.135 181 R CA 1.861 57.646 56.100 -0.524 0.000 0.967 181 R CB -0.598 29.076 30.300 -1.043 0.000 0.861 181 R HN 0.124 nan 8.270 nan 0.000 0.442 182 N N 0.438 119.023 118.700 -0.191 0.000 2.463 182 N HA 0.001 4.742 4.740 0.002 0.000 0.181 182 N C -0.185 175.278 175.510 -0.080 0.000 1.078 182 N CA 0.664 53.632 53.050 -0.137 0.000 0.902 182 N CB 0.249 38.659 38.487 -0.128 0.000 0.970 182 N HN 0.168 nan 8.380 nan 0.000 0.451 183 A N 2.338 125.156 122.820 -0.003 0.000 2.496 183 A HA 0.178 4.499 4.320 0.002 0.000 0.278 183 A C -1.206 176.356 177.584 -0.036 0.000 1.137 183 A CA -0.852 51.188 52.037 0.005 0.000 0.805 183 A CB 0.197 19.249 19.000 0.086 0.000 1.077 183 A HN 0.019 nan 8.150 nan 0.000 0.513 184 P HA -0.138 nan 4.420 nan 0.000 0.218 184 P C 1.071 178.322 177.300 -0.081 0.000 1.148 184 P CA 1.226 64.270 63.100 -0.094 0.000 0.822 184 P CB 0.146 31.761 31.700 -0.142 0.000 0.784 185 R N -2.260 118.156 120.500 -0.140 0.000 2.317 185 R HA 0.156 4.497 4.340 0.002 0.000 0.208 185 R C 0.262 176.544 176.300 -0.030 0.000 0.914 185 R CA -0.147 55.890 56.100 -0.105 0.000 1.060 185 R CB -0.439 29.627 30.300 -0.391 0.000 1.015 185 R HN 0.170 nan 8.270 nan 0.000 0.498 186 C N 0.776 120.045 119.300 -0.053 0.000 2.303 186 C HA 0.204 4.665 4.460 0.002 0.000 0.341 186 C C 1.907 176.806 174.990 -0.151 0.000 1.244 186 C CA -0.618 58.385 59.018 -0.025 0.000 1.765 186 C CB 0.399 28.200 27.740 0.102 0.000 2.379 186 C HN 0.292 nan 8.230 nan 0.000 0.530 187 V N 6.001 125.783 119.914 -0.219 0.000 3.306 187 V HA 0.195 4.316 4.120 0.002 0.000 0.264 187 V C 1.781 177.835 176.094 -0.067 0.000 1.149 187 V CA 2.064 64.112 62.300 -0.420 0.000 1.143 187 V CB -0.105 31.534 31.823 -0.306 0.000 0.767 187 V HN 1.063 nan 8.190 nan 0.000 0.476 188 G N -0.699 108.122 108.800 0.034 0.000 3.448 188 G HA2 0.068 4.029 3.960 0.002 0.000 0.261 188 G HA3 0.068 4.029 3.960 0.002 0.000 0.261 188 G C 1.185 176.138 174.900 0.089 0.000 1.173 188 G CA -0.364 44.794 45.100 0.097 0.000 0.835 188 G HN 0.417 nan 8.290 nan 0.000 0.534 189 R N -0.207 120.267 120.500 -0.042 0.000 2.328 189 R HA 0.108 4.449 4.340 0.002 0.000 0.207 189 R C 1.992 177.921 176.300 -0.619 0.000 1.056 189 R CA 0.180 55.990 56.100 -0.484 0.000 1.016 189 R CB -0.134 29.841 30.300 -0.542 0.000 0.872 189 R HN 0.462 nan 8.270 nan 0.000 0.471 190 I N 0.913 121.288 120.570 -0.325 0.000 2.567 190 I HA -0.246 3.925 4.170 0.002 0.000 0.257 190 I C 1.336 177.388 176.117 -0.108 0.000 1.184 190 I CA 1.283 62.541 61.300 -0.069 0.000 1.451 190 I CB 0.163 38.214 38.000 0.085 0.000 1.089 190 I HN 0.205 nan 8.210 nan 0.000 0.441 191 Q N 0.498 120.185 119.800 -0.187 0.000 2.403 191 Q HA -0.105 4.236 4.340 0.002 0.000 0.203 191 Q C 1.634 177.281 176.000 -0.588 0.000 0.932 191 Q CA 0.396 56.086 55.803 -0.189 0.000 0.945 191 Q CB -0.197 28.594 28.738 0.088 0.000 1.045 191 Q HN 0.792 nan 8.270 nan 0.000 0.511 192 W N 0.250 120.885 121.300 -1.108 0.000 2.321 192 W HA -0.154 4.507 4.660 0.002 0.000 0.285 192 W C 1.069 177.278 176.519 -0.518 0.000 1.213 192 W CA 1.198 57.695 57.345 -1.413 0.000 1.205 192 W CB -1.116 27.715 29.460 -1.049 0.000 1.134 192 W HN 0.067 nan 8.180 nan 0.000 0.549 193 G N 1.101 109.247 108.800 -1.090 0.000 2.712 193 G HA2 -0.067 3.894 3.960 0.002 0.000 0.212 193 G HA3 -0.067 3.894 3.960 0.002 0.000 0.212 193 G C 0.561 175.263 174.900 -0.330 0.000 1.142 193 G CA -0.238 44.307 45.100 -0.925 0.000 0.789 193 G HN 0.187 nan 8.290 nan 0.000 0.535 194 K N 0.311 120.618 120.400 -0.155 0.000 2.419 194 K HA 0.511 4.832 4.320 0.002 0.000 0.244 194 K C -1.579 175.147 176.600 0.210 0.000 1.045 194 K CA -0.494 55.812 56.287 0.033 0.000 1.004 194 K CB 1.516 34.055 32.500 0.064 0.000 1.376 194 K HN 0.087 nan 8.250 nan 0.000 0.460 195 L N 2.048 123.368 121.223 0.161 0.000 2.476 195 L HA 0.265 4.606 4.340 0.002 0.000 0.269 195 L C -1.312 175.547 176.870 -0.018 0.000 0.965 195 L CA -0.520 54.416 54.840 0.160 0.000 0.845 195 L CB 1.913 44.145 42.059 0.290 0.000 1.259 195 L HN 0.334 nan 8.230 nan 0.000 0.403 196 Q N 3.224 122.952 119.800 -0.121 0.000 2.293 196 Q HA 0.488 4.829 4.340 0.002 0.000 0.263 196 Q C -1.493 174.135 176.000 -0.621 0.000 1.002 196 Q CA 0.071 55.620 55.803 -0.423 0.000 0.910 196 Q CB 1.101 29.460 28.738 -0.632 0.000 1.185 196 Q HN 0.525 nan 8.270 nan 0.000 0.401 197 V N 6.464 126.042 119.914 -0.560 0.000 2.347 197 V HA 0.388 4.509 4.120 0.002 0.000 0.280 197 V C -0.729 175.050 176.094 -0.525 0.000 1.021 197 V CA -0.557 61.473 62.300 -0.449 0.000 0.847 197 V CB 0.291 31.981 31.823 -0.221 0.000 0.990 197 V HN 0.622 nan 8.190 nan 0.000 0.444 198 F N 2.662 122.487 119.950 -0.209 0.000 2.405 198 F HA 0.392 4.920 4.527 0.002 0.000 0.355 198 F C 0.491 176.141 175.800 -0.251 0.000 1.121 198 F CA -1.149 56.727 58.000 -0.206 0.000 1.112 198 F CB 1.049 39.933 39.000 -0.194 0.000 1.126 198 F HN 0.413 nan 8.300 nan 0.000 0.481 199 D N 3.029 123.418 120.400 -0.018 0.000 2.365 199 D HA 0.403 5.044 4.640 0.002 0.000 0.237 199 D C 0.122 176.284 176.300 -0.230 0.000 1.190 199 D CA 0.033 53.949 54.000 -0.140 0.000 0.867 199 D CB 1.146 41.900 40.800 -0.078 0.000 1.050 199 D HN 0.612 nan 8.370 nan 0.000 0.491 200 A N 4.542 127.045 122.820 -0.528 0.000 2.574 200 A HA 0.156 4.477 4.320 0.002 0.000 0.283 200 A C 1.612 178.875 177.584 -0.535 0.000 1.270 200 A CA -0.376 51.069 52.037 -0.986 0.000 0.945 200 A CB 0.021 17.892 19.000 -1.881 0.000 1.127 200 A HN 0.547 nan 8.150 nan 0.000 0.522 201 R N 0.997 121.332 120.500 -0.275 0.000 2.285 201 R HA -0.067 4.274 4.340 0.002 0.000 0.213 201 R C -0.119 176.136 176.300 -0.075 0.000 1.068 201 R CA 1.158 57.176 56.100 -0.137 0.000 1.004 201 R CB 0.016 30.293 30.300 -0.039 0.000 0.873 201 R HN 0.637 nan 8.270 nan 0.000 0.467 202 D N -0.263 120.117 120.400 -0.034 0.000 3.163 202 D HA 0.017 4.658 4.640 0.002 0.000 0.284 202 D C -0.686 175.689 176.300 0.125 0.000 1.368 202 D CA -0.403 53.630 54.000 0.054 0.000 0.895 202 D CB -0.254 40.595 40.800 0.082 0.000 1.061 202 D HN -0.037 nan 8.370 nan 0.000 0.496 203 C N 1.178 120.523 119.300 0.074 0.000 2.351 203 C HA 0.648 5.109 4.460 0.002 0.000 0.326 203 C C 1.084 176.199 174.990 0.208 0.000 1.272 203 C CA -0.186 58.946 59.018 0.191 0.000 1.650 203 C CB 0.801 28.653 27.740 0.186 0.000 2.257 203 C HN 0.476 nan 8.230 nan 0.000 0.505 204 S N 2.501 118.369 115.700 0.280 0.000 2.819 204 S HA 0.397 4.868 4.470 0.002 0.000 0.249 204 S C -0.109 174.655 174.600 0.273 0.000 1.030 204 S CA 0.216 58.610 58.200 0.323 0.000 1.052 204 S CB -0.347 62.976 63.200 0.205 0.000 1.017 204 S HN 1.458 nan 8.310 nan 0.000 0.576 205 S N -0.643 115.223 115.700 0.276 0.000 2.567 205 S HA 0.785 5.256 4.470 0.002 0.000 0.270 205 S C 0.770 175.457 174.600 0.146 0.000 1.152 205 S CA -0.360 57.944 58.200 0.172 0.000 0.835 205 S CB 0.851 64.132 63.200 0.134 0.000 1.115 205 S HN 0.555 nan 8.310 nan 0.000 0.459 206 A N 0.881 123.758 122.820 0.095 0.000 1.933 206 A HA -0.100 4.221 4.320 0.002 0.000 0.218 206 A C 2.120 179.652 177.584 -0.086 0.000 1.175 206 A CA 1.986 54.041 52.037 0.030 0.000 0.628 206 A CB -1.182 17.907 19.000 0.148 0.000 0.814 206 A HN 0.941 nan 8.150 nan 0.000 0.444 207 Q N -0.335 119.529 119.800 0.107 0.000 2.135 207 Q HA -0.236 4.105 4.340 0.002 0.000 0.204 207 Q C 1.858 177.887 176.000 0.049 0.000 0.981 207 Q CA 1.956 57.822 55.803 0.104 0.000 0.856 207 Q CB -0.160 28.719 28.738 0.234 0.000 0.902 207 Q HN 0.782 nan 8.270 nan 0.000 0.425 208 E N -0.310 119.949 120.200 0.098 0.000 2.152 208 E HA -0.151 4.200 4.350 0.002 0.000 0.192 208 E C 2.026 178.778 176.600 0.253 0.000 0.983 208 E CA 1.101 57.593 56.400 0.153 0.000 0.818 208 E CB -0.013 29.821 29.700 0.223 0.000 0.758 208 E HN 0.480 nan 8.360 nan 0.000 0.467 209 M N -0.128 119.551 119.600 0.132 0.000 2.117 209 M HA -0.138 4.343 4.480 0.002 0.000 0.262 209 M C 2.130 178.478 176.300 0.080 0.000 1.065 209 M CA 1.361 56.686 55.300 0.042 0.000 1.114 209 M CB -0.299 32.067 32.600 -0.390 0.000 1.361 209 M HN 0.139 nan 8.290 nan 0.000 0.408 210 F N 1.067 120.818 119.950 -0.332 0.000 2.095 210 F HA -0.263 4.265 4.527 0.002 0.000 0.298 210 F C 2.279 177.995 175.800 -0.140 0.000 1.104 210 F CA 1.730 59.496 58.000 -0.391 0.000 1.232 210 F CB -0.127 38.381 39.000 -0.820 0.000 0.987 210 F HN 0.056 nan 8.300 nan 0.000 0.475 211 T N -0.471 113.985 114.554 -0.163 0.000 2.746 211 T HA -0.236 4.115 4.350 0.002 0.000 0.267 211 T C 1.505 176.066 174.700 -0.233 0.000 1.039 211 T CA 1.828 63.769 62.100 -0.265 0.000 1.142 211 T CB -0.696 68.048 68.868 -0.207 0.000 0.866 211 T HN 0.357 nan 8.240 nan 0.000 0.444 212 Y N 0.899 121.161 120.300 -0.062 0.000 2.163 212 Y HA -0.005 4.546 4.550 0.002 0.000 0.288 212 Y C 2.342 178.206 175.900 -0.061 0.000 1.136 212 Y CA 0.841 58.911 58.100 -0.049 0.000 1.147 212 Y CB -0.340 38.190 38.460 0.117 0.000 0.987 212 Y HN 0.128 nan 8.280 nan 0.000 0.509 213 I N -1.296 119.388 120.570 0.191 0.000 2.264 213 I HA -0.388 3.783 4.170 0.002 0.000 0.248 213 I C 2.253 178.328 176.117 -0.069 0.000 1.111 213 I CA 1.033 62.377 61.300 0.073 0.000 1.382 213 I CB -0.490 37.543 38.000 0.055 0.000 1.060 213 I HN 0.368 nan 8.210 nan 0.000 0.418 214 C N 0.613 119.763 119.300 -0.250 0.000 2.446 214 C HA -0.113 4.348 4.460 0.002 0.000 0.277 214 C C 2.603 177.503 174.990 -0.151 0.000 1.275 214 C CA 0.728 59.577 59.018 -0.282 0.000 1.727 214 C CB -1.332 26.111 27.740 -0.496 0.000 2.010 214 C HN 0.548 nan 8.230 nan 0.000 0.486 215 N N -0.113 118.484 118.700 -0.171 0.000 2.188 215 N HA -0.133 4.608 4.740 0.002 0.000 0.184 215 N C 1.445 176.872 175.510 -0.139 0.000 1.018 215 N CA 1.278 54.216 53.050 -0.186 0.000 0.858 215 N CB -0.713 37.586 38.487 -0.313 0.000 0.989 215 N HN 0.746 nan 8.380 nan 0.000 0.426 216 H N 0.899 119.844 119.070 -0.207 0.000 2.321 216 H HA 0.051 4.608 4.556 0.002 0.000 0.300 216 H C 2.167 177.554 175.328 0.098 0.000 1.087 216 H CA 1.521 57.541 56.048 -0.045 0.000 1.319 216 H CB -0.011 29.766 29.762 0.025 0.000 1.379 216 H HN 0.075 nan 8.280 nan 0.000 0.501 217 I N 0.663 121.392 120.570 0.266 0.000 2.226 217 I HA -0.270 3.901 4.170 0.002 0.000 0.245 217 I C 2.310 178.510 176.117 0.139 0.000 1.100 217 I CA 1.447 62.859 61.300 0.187 0.000 1.374 217 I CB -0.269 37.764 38.000 0.056 0.000 1.057 217 I HN 0.342 nan 8.210 nan 0.000 0.413 218 K N 0.034 120.484 120.400 0.084 0.000 2.026 218 K HA -0.237 4.084 4.320 0.002 0.000 0.208 218 K C 2.235 178.893 176.600 0.097 0.000 1.048 218 K CA 1.763 58.086 56.287 0.061 0.000 0.929 218 K CB -0.482 32.031 32.500 0.021 0.000 0.713 218 K HN 0.252 nan 8.250 nan 0.000 0.439 219 Y N 1.652 121.973 120.300 0.035 0.000 2.114 219 Y HA -0.242 4.308 4.550 0.002 0.000 0.284 219 Y C 2.347 178.308 175.900 0.102 0.000 1.143 219 Y CA 1.554 59.704 58.100 0.082 0.000 1.135 219 Y CB -0.478 38.078 38.460 0.160 0.000 0.980 219 Y HN 0.051 nan 8.280 nan 0.000 0.499 220 A N -0.503 122.512 122.820 0.325 0.000 1.883 220 A HA -0.209 4.112 4.320 0.002 0.000 0.217 220 A C 2.214 179.873 177.584 0.125 0.000 1.186 220 A CA 2.480 54.664 52.037 0.245 0.000 0.624 220 A CB -1.419 17.781 19.000 0.333 0.000 0.822 220 A HN 0.548 nan 8.150 nan 0.000 0.444 221 T N -0.487 114.139 114.554 0.119 0.000 2.708 221 T HA -0.148 4.203 4.350 0.002 0.000 0.266 221 T C 1.050 175.764 174.700 0.023 0.000 1.037 221 T CA 1.153 63.307 62.100 0.090 0.000 1.146 221 T CB -0.567 68.351 68.868 0.083 0.000 0.865 221 T HN 0.750 nan 8.240 nan 0.000 0.435 222 N N 0.752 119.433 118.700 -0.032 0.000 2.716 222 N HA -0.272 4.469 4.740 0.002 0.000 0.250 222 N C -0.680 174.805 175.510 -0.042 0.000 1.033 222 N CA 0.142 53.145 53.050 -0.078 0.000 0.727 222 N CB -0.584 37.818 38.487 -0.142 0.000 0.950 222 N HN 0.413 nan 8.380 nan 0.000 0.541 223 R N -2.037 118.452 120.500 -0.019 0.000 3.516 223 R HA -0.244 4.097 4.340 0.002 0.000 0.271 223 R C 1.215 177.504 176.300 -0.018 0.000 1.098 223 R CA 1.084 57.174 56.100 -0.016 0.000 0.732 223 R CB -2.062 28.224 30.300 -0.024 0.000 1.152 223 R HN 0.821 nan 8.270 nan 0.000 0.455 224 G N -0.338 108.461 108.800 -0.001 0.000 2.232 224 G HA2 -0.358 3.603 3.960 0.002 0.000 0.226 224 G HA3 -0.358 3.603 3.960 0.002 0.000 0.226 224 G C -0.014 174.883 174.900 -0.004 0.000 0.996 224 G CA 0.133 45.234 45.100 0.001 0.000 0.626 224 G HN 0.519 nan 8.290 nan 0.000 0.509 225 N N 1.120 119.805 118.700 -0.026 0.000 3.322 225 N HA 0.432 5.173 4.740 0.002 0.000 0.290 225 N C 0.281 175.770 175.510 -0.036 0.000 1.297 225 N CA -0.762 52.255 53.050 -0.055 0.000 1.167 225 N CB -0.118 38.329 38.487 -0.067 0.000 1.434 225 N HN 0.135 nan 8.380 nan 0.000 0.526 226 L N 2.047 123.282 121.223 0.020 0.000 2.573 226 L HA -0.033 4.308 4.340 0.002 0.000 0.290 226 L C 0.684 177.665 176.870 0.187 0.000 1.247 226 L CA 1.218 56.139 54.840 0.136 0.000 0.876 226 L CB 0.028 42.258 42.059 0.284 0.000 1.123 226 L HN 0.369 nan 8.230 nan 0.000 0.505 227 R N 1.374 122.001 120.500 0.211 0.000 2.575 227 R HA 0.434 4.775 4.340 0.002 0.000 0.293 227 R C -0.611 175.875 176.300 0.309 0.000 0.983 227 R CA -0.691 55.560 56.100 0.251 0.000 0.887 227 R CB 1.753 32.079 30.300 0.043 0.000 1.184 227 R HN 0.580 nan 8.270 nan 0.000 0.445 228 S N 1.510 117.392 115.700 0.303 0.000 2.533 228 S HA 0.455 4.926 4.470 0.002 0.000 0.282 228 S C -0.290 174.363 174.600 0.088 0.000 1.304 228 S CA -0.163 58.107 58.200 0.116 0.000 1.063 228 S CB 1.149 64.365 63.200 0.027 0.000 0.881 228 S HN 0.687 nan 8.310 nan 0.000 0.493 229 A N 2.872 125.701 122.820 0.014 0.000 2.610 229 A HA 0.843 5.164 4.320 0.002 0.000 0.291 229 A C -1.278 176.322 177.584 0.026 0.000 1.086 229 A CA -0.661 51.309 52.037 -0.111 0.000 0.677 229 A CB 1.214 20.051 19.000 -0.271 0.000 1.278 229 A HN 0.789 nan 8.150 nan 0.000 0.414 230 I N 0.217 120.787 120.570 -0.001 0.000 2.752 230 I HA 0.638 4.809 4.170 0.002 0.000 0.295 230 I C -1.228 174.988 176.117 0.165 0.000 1.219 230 I CA -0.124 61.310 61.300 0.223 0.000 1.030 230 I CB 2.456 40.545 38.000 0.149 0.000 1.259 230 I HN 0.628 nan 8.210 nan 0.000 0.423 231 T N 5.961 120.648 114.554 0.222 0.000 2.824 231 T HA 0.506 4.857 4.350 0.002 0.000 0.282 231 T C -0.920 173.598 174.700 -0.304 0.000 0.993 231 T CA -0.385 61.703 62.100 -0.019 0.000 0.967 231 T CB 1.748 70.600 68.868 -0.026 0.000 0.960 231 T HN 0.258 nan 8.240 nan 0.000 0.441 232 V N 4.753 124.399 119.914 -0.446 0.000 2.357 232 V HA 0.508 4.629 4.120 0.002 0.000 0.284 232 V C -0.553 175.208 176.094 -0.556 0.000 1.018 232 V CA -0.830 61.211 62.300 -0.432 0.000 0.841 232 V CB 0.283 31.830 31.823 -0.461 0.000 0.991 232 V HN 0.726 nan 8.190 nan 0.000 0.437 233 F N 4.851 124.708 119.950 -0.154 0.000 2.375 233 F HA 0.526 5.054 4.527 0.002 0.000 0.317 233 F C -1.831 173.847 175.800 -0.203 0.000 1.124 233 F CA -2.493 55.340 58.000 -0.279 0.000 1.050 233 F CB 0.207 39.043 39.000 -0.272 0.000 1.314 233 F HN 0.288 nan 8.300 nan 0.000 0.511 234 P HA -0.040 nan 4.420 nan 0.000 0.263 234 P C -0.933 176.365 177.300 -0.004 0.000 1.175 234 P CA 0.006 62.979 63.100 -0.212 0.000 0.761 234 P CB 0.172 31.525 31.700 -0.578 0.000 0.794 235 Q N 3.627 123.401 119.800 -0.043 0.000 2.492 235 Q HA 0.155 4.496 4.340 0.002 0.000 0.238 235 Q C -0.231 175.663 176.000 -0.177 0.000 1.045 235 Q CA -0.324 55.235 55.803 -0.407 0.000 0.934 235 Q CB 0.569 28.823 28.738 -0.806 0.000 1.276 235 Q HN 0.347 nan 8.270 nan 0.000 0.521 236 R N -0.058 120.304 120.500 -0.230 0.000 2.594 236 R HA 0.450 4.791 4.340 0.002 0.000 0.272 236 R C -0.698 175.540 176.300 -0.102 0.000 1.074 236 R CA 0.237 56.280 56.100 -0.096 0.000 1.105 236 R CB 0.708 30.943 30.300 -0.108 0.000 1.008 236 R HN 0.713 nan 8.270 nan 0.000 0.472 237 A N 4.027 126.829 122.820 -0.031 0.000 2.393 237 A HA 0.512 4.833 4.320 0.002 0.000 0.306 237 A C -2.505 175.069 177.584 -0.016 0.000 1.050 237 A CA -2.065 49.957 52.037 -0.025 0.000 0.724 237 A CB 1.456 20.469 19.000 0.023 0.000 1.248 237 A HN 0.400 nan 8.150 nan 0.000 0.424 238 P HA 0.226 nan 4.420 nan 0.000 0.262 238 P C 1.134 178.434 177.300 -0.001 0.000 1.182 238 P CA 2.193 65.287 63.100 -0.011 0.000 0.761 238 P CB 0.607 32.303 31.700 -0.007 0.000 0.795 239 G N 1.952 110.751 108.800 -0.002 0.000 2.196 239 G HA2 -0.299 3.662 3.960 0.002 0.000 0.268 239 G HA3 -0.299 3.662 3.960 0.002 0.000 0.268 239 G C 0.304 175.205 174.900 0.002 0.000 0.975 239 G CA 0.009 45.110 45.100 0.001 0.000 0.648 239 G HN 0.716 nan 8.290 nan 0.000 0.538 240 R N 0.356 120.856 120.500 0.001 0.000 2.670 240 R HA 0.572 4.913 4.340 0.002 0.000 0.289 240 R C 0.901 177.195 176.300 -0.010 0.000 0.965 240 R CA -0.044 56.055 56.100 -0.003 0.000 0.899 240 R CB 0.974 31.279 30.300 0.008 0.000 1.173 240 R HN 0.344 nan 8.270 nan 0.000 0.456 241 G N 1.873 110.657 108.800 -0.026 0.000 2.690 241 G HA2 0.004 3.965 3.960 0.002 0.000 0.239 241 G HA3 0.004 3.965 3.960 0.002 0.000 0.239 241 G C -0.530 174.346 174.900 -0.039 0.000 1.233 241 G CA -0.309 44.774 45.100 -0.029 0.000 0.847 241 G HN 0.603 nan 8.290 nan 0.000 0.588 242 D N -0.557 119.839 120.400 -0.007 0.000 2.294 242 D HA 0.364 5.005 4.640 0.002 0.000 0.250 242 D C -0.163 176.155 176.300 0.030 0.000 1.058 242 D CA -0.035 53.995 54.000 0.050 0.000 0.950 242 D CB 1.069 41.912 40.800 0.071 0.000 1.158 242 D HN 0.103 nan 8.370 nan 0.000 0.453 243 F N 1.165 121.138 119.950 0.039 0.000 2.412 243 F HA 0.346 4.873 4.527 0.002 0.000 0.348 243 F C 1.058 176.883 175.800 0.042 0.000 1.102 243 F CA 0.059 58.071 58.000 0.020 0.000 1.196 243 F CB 0.681 39.683 39.000 0.004 0.000 1.144 243 F HN -0.187 nan 8.300 nan 0.000 0.541 244 R N 3.406 124.028 120.500 0.204 0.000 2.604 244 R HA 0.475 4.816 4.340 0.002 0.000 0.270 244 R C -1.411 175.026 176.300 0.229 0.000 1.052 244 R CA -0.793 55.436 56.100 0.215 0.000 0.902 244 R CB 2.150 32.605 30.300 0.259 0.000 1.233 244 R HN 0.617 nan 8.270 nan 0.000 0.455 245 I N 1.956 122.644 120.570 0.196 0.000 2.312 245 I HA 0.169 4.340 4.170 0.002 0.000 0.290 245 I C 0.526 176.838 176.117 0.325 0.000 1.008 245 I CA -0.414 60.994 61.300 0.180 0.000 1.226 245 I CB 1.114 39.162 38.000 0.079 0.000 1.371 245 I HN 0.530 nan 8.210 nan 0.000 0.468 246 W N 3.607 124.944 121.300 0.061 0.000 2.402 246 W HA -0.066 4.595 4.660 0.002 0.000 0.286 246 W C 0.923 177.543 176.519 0.168 0.000 1.221 246 W CA 0.067 57.519 57.345 0.178 0.000 1.257 246 W CB -0.796 28.762 29.460 0.164 0.000 1.120 246 W HN 0.408 nan 8.180 nan 0.000 0.551 247 N N -0.132 118.727 118.700 0.265 0.000 2.508 247 N HA 0.022 4.763 4.740 0.002 0.000 0.264 247 N C 1.274 176.841 175.510 0.094 0.000 1.216 247 N CA 0.798 53.928 53.050 0.133 0.000 0.943 247 N CB 0.770 39.274 38.487 0.029 0.000 1.113 247 N HN -0.115 nan 8.380 nan 0.000 0.447 248 S N 0.276 116.023 115.700 0.077 0.000 2.470 248 S HA 0.020 4.491 4.470 0.002 0.000 0.225 248 S C 0.299 174.888 174.600 -0.018 0.000 1.006 248 S CA 0.505 58.735 58.200 0.050 0.000 0.934 248 S CB 0.080 63.333 63.200 0.088 0.000 0.778 248 S HN 0.633 nan 8.310 nan 0.000 0.517 249 Q N -0.641 119.135 119.800 -0.039 0.000 2.416 249 Q HA 0.468 4.809 4.340 0.002 0.000 0.281 249 Q C 0.034 175.945 176.000 -0.148 0.000 1.067 249 Q CA -0.538 55.203 55.803 -0.103 0.000 0.809 249 Q CB 1.958 30.666 28.738 -0.050 0.000 1.418 249 Q HN 0.112 nan 8.270 nan 0.000 0.411 250 L N 0.253 121.364 121.223 -0.187 0.000 2.191 250 L HA 0.014 4.355 4.340 0.002 0.000 0.212 250 L C 0.352 177.069 176.870 -0.255 0.000 1.103 250 L CA 0.863 55.594 54.840 -0.182 0.000 0.769 250 L CB 0.128 42.080 42.059 -0.179 0.000 0.908 250 L HN 0.256 nan 8.230 nan 0.000 0.438 251 V N 0.940 120.602 119.914 -0.420 0.000 2.443 251 V HA 0.493 4.614 4.120 0.002 0.000 0.293 251 V C -0.462 175.126 176.094 -0.844 0.000 1.021 251 V CA -0.718 61.158 62.300 -0.707 0.000 0.848 251 V CB 1.727 32.912 31.823 -1.063 0.000 0.998 251 V HN 0.139 nan 8.190 nan 0.000 0.424 252 R N 2.947 123.093 120.500 -0.589 0.000 2.651 252 R HA 0.517 4.858 4.340 0.002 0.000 0.278 252 R C -1.709 174.393 176.300 -0.330 0.000 1.010 252 R CA -0.816 55.056 56.100 -0.379 0.000 0.896 252 R CB 1.994 32.200 30.300 -0.156 0.000 1.211 252 R HN 0.553 nan 8.270 nan 0.000 0.456 253 Y N 0.410 120.695 120.300 -0.025 0.000 2.308 253 Y HA 0.488 5.039 4.550 0.002 0.000 0.329 253 Y C 1.040 176.890 175.900 -0.083 0.000 1.111 253 Y CA -0.667 57.425 58.100 -0.013 0.000 1.179 253 Y CB 1.163 39.671 38.460 0.080 0.000 1.201 253 Y HN 0.707 nan 8.280 nan 0.000 0.483 254 A N 1.818 124.652 122.820 0.024 0.000 2.466 254 A HA 0.500 4.821 4.320 0.002 0.000 0.238 254 A C 0.655 177.987 177.584 -0.419 0.000 1.074 254 A CA 0.367 52.261 52.037 -0.238 0.000 0.774 254 A CB -0.282 18.525 19.000 -0.321 0.000 1.015 254 A HN 0.965 nan 8.150 nan 0.000 0.498 255 G N 0.699 109.251 108.800 -0.413 0.000 2.728 255 G HA2 0.540 4.501 3.960 0.002 0.000 0.296 255 G HA3 0.540 4.501 3.960 0.002 0.000 0.296 255 G C -0.959 173.799 174.900 -0.236 0.000 1.401 255 G CA -0.285 44.627 45.100 -0.313 0.000 1.007 255 G HN 0.570 nan 8.290 nan 0.000 0.527 256 Y N 2.057 122.374 120.300 0.028 0.000 2.341 256 Y HA 0.426 4.977 4.550 0.002 0.000 0.340 256 Y C 1.099 177.003 175.900 0.007 0.000 0.997 256 Y CA -1.090 57.028 58.100 0.030 0.000 1.149 256 Y CB 1.434 39.911 38.460 0.029 0.000 1.171 256 Y HN 0.178 nan 8.280 nan 0.000 0.494 257 R N 3.967 124.563 120.500 0.161 0.000 2.298 257 R HA 0.260 4.601 4.340 0.002 0.000 0.310 257 R C -0.473 175.873 176.300 0.077 0.000 1.068 257 R CA -0.182 55.971 56.100 0.088 0.000 0.957 257 R CB 0.948 31.286 30.300 0.063 0.000 1.003 257 R HN 0.800 nan 8.270 nan 0.000 0.454 258 Q N 1.141 120.973 119.800 0.053 0.000 2.873 258 Q HA 0.210 4.551 4.340 0.002 0.000 0.297 258 Q C 0.606 176.617 176.000 0.019 0.000 1.064 258 Q CA -1.038 54.784 55.803 0.031 0.000 0.816 258 Q CB 1.227 29.982 28.738 0.029 0.000 1.481 258 Q HN 0.427 nan 8.270 nan 0.000 0.488 259 Q N 1.260 121.065 119.800 0.008 0.000 2.576 259 Q HA -0.281 4.060 4.340 0.002 0.000 0.496 259 Q C 0.472 176.476 176.000 0.008 0.000 0.617 259 Q CA 2.367 58.173 55.803 0.005 0.000 0.986 259 Q CB -0.951 27.788 28.738 0.002 0.000 1.433 259 Q HN 0.937 nan 8.270 nan 0.000 0.999 260 D N 0.486 120.890 120.400 0.008 0.000 2.977 260 D HA 0.156 4.797 4.640 0.002 0.000 0.241 260 D C 0.858 177.165 176.300 0.012 0.000 1.206 260 D CA 0.776 54.781 54.000 0.008 0.000 0.902 260 D CB -0.669 40.135 40.800 0.007 0.000 1.131 260 D HN 0.752 nan 8.370 nan 0.000 0.447 261 G N -0.173 108.636 108.800 0.014 0.000 2.166 261 G HA2 -0.336 3.625 3.960 0.002 0.000 0.260 261 G HA3 -0.336 3.625 3.960 0.002 0.000 0.260 261 G C 0.449 175.360 174.900 0.018 0.000 0.986 261 G CA 0.618 45.728 45.100 0.017 0.000 0.683 261 G HN 0.655 nan 8.290 nan 0.000 0.527 262 S N -1.857 113.854 115.700 0.017 0.000 2.596 262 S HA 0.736 5.207 4.470 0.002 0.000 0.262 262 S C 0.207 174.816 174.600 0.015 0.000 1.218 262 S CA 0.382 58.591 58.200 0.014 0.000 0.998 262 S CB 1.309 64.517 63.200 0.013 0.000 1.060 262 S HN 1.027 nan 8.310 nan 0.000 0.552 263 V N 1.489 121.404 119.914 0.003 0.000 2.752 263 V HA 0.432 4.553 4.120 0.002 0.000 0.302 263 V C -0.558 175.518 176.094 -0.030 0.000 1.133 263 V CA -0.728 61.568 62.300 -0.007 0.000 0.919 263 V CB 1.778 33.577 31.823 -0.040 0.000 1.026 263 V HN 0.843 nan 8.190 nan 0.000 0.429 264 R N 2.886 123.396 120.500 0.018 0.000 2.255 264 R HA 0.701 5.042 4.340 0.002 0.000 0.326 264 R C 0.583 176.830 176.300 -0.088 0.000 0.986 264 R CA 0.928 57.038 56.100 0.016 0.000 0.847 264 R CB 1.146 31.532 30.300 0.143 0.000 1.111 264 R HN 1.288 nan 8.270 nan 0.000 0.452 265 G N 3.008 111.667 108.800 -0.234 0.000 2.443 265 G HA2 -0.239 3.722 3.960 0.002 0.000 0.209 265 G HA3 -0.239 3.722 3.960 0.002 0.000 0.209 265 G C -1.362 173.128 174.900 -0.684 0.000 1.176 265 G CA -0.192 44.677 45.100 -0.385 0.000 1.074 265 G HN 0.609 nan 8.290 nan 0.000 0.577 266 D N 1.635 121.759 120.400 -0.461 0.000 2.396 266 D HA 0.571 5.212 4.640 0.002 0.000 0.225 266 D C -1.031 175.151 176.300 -0.197 0.000 1.121 266 D CA -2.006 51.759 54.000 -0.392 0.000 0.853 266 D CB 1.482 42.349 40.800 0.112 0.000 1.043 266 D HN -0.019 nan 8.370 nan 0.000 0.500 267 P HA -0.119 nan 4.420 nan 0.000 0.218 267 P C 0.898 178.196 177.300 -0.003 0.000 1.146 267 P CA 1.018 64.070 63.100 -0.079 0.000 0.813 267 P CB 0.280 31.943 31.700 -0.061 0.000 0.778 268 A N -0.566 122.269 122.820 0.025 0.000 2.067 268 A HA -0.123 4.198 4.320 0.002 0.000 0.219 268 A C 1.615 179.245 177.584 0.077 0.000 1.158 268 A CA 1.345 53.431 52.037 0.081 0.000 0.661 268 A CB -0.847 18.226 19.000 0.122 0.000 0.801 268 A HN 0.161 nan 8.150 nan 0.000 0.452 269 N N -0.297 118.429 118.700 0.044 0.000 2.238 269 N HA 0.142 4.883 4.740 0.002 0.000 0.222 269 N C 1.114 176.621 175.510 -0.004 0.000 1.133 269 N CA 0.191 53.258 53.050 0.027 0.000 0.854 269 N CB 0.604 39.101 38.487 0.016 0.000 1.041 269 N HN 0.202 nan 8.380 nan 0.000 0.510 270 V N 1.080 120.996 119.914 0.003 0.000 2.255 270 V HA -0.257 3.864 4.120 0.002 0.000 0.247 270 V C 2.447 178.551 176.094 0.017 0.000 1.051 270 V CA 1.848 64.153 62.300 0.008 0.000 1.018 270 V CB -0.306 31.530 31.823 0.021 0.000 0.641 270 V HN 0.386 nan 8.190 nan 0.000 0.445 271 E N -0.325 119.885 120.200 0.017 0.000 2.031 271 E HA -0.270 4.080 4.350 0.002 0.000 0.193 271 E C 2.162 178.709 176.600 -0.089 0.000 0.994 271 E CA 1.825 58.212 56.400 -0.022 0.000 0.800 271 E CB -0.205 29.507 29.700 0.020 0.000 0.752 271 E HN 0.477 nan 8.360 nan 0.000 0.447 272 I N 0.890 121.422 120.570 -0.063 0.000 2.361 272 I HA -0.225 3.946 4.170 0.002 0.000 0.251 272 I C 2.040 178.122 176.117 -0.058 0.000 1.133 272 I CA 1.563 62.812 61.300 -0.086 0.000 1.413 272 I CB -0.359 37.635 38.000 -0.011 0.000 1.073 272 I HN 0.104 nan 8.210 nan 0.000 0.424 273 T N 0.487 115.029 114.554 -0.020 0.000 2.708 273 T HA -0.158 4.193 4.350 0.002 0.000 0.266 273 T C 1.724 176.518 174.700 0.157 0.000 1.037 273 T CA 1.783 63.914 62.100 0.052 0.000 1.146 273 T CB -0.267 68.643 68.868 0.069 0.000 0.865 273 T HN 0.492 nan 8.240 nan 0.000 0.435 274 E N 0.897 121.159 120.200 0.103 0.000 2.106 274 E HA -0.022 4.329 4.350 0.002 0.000 0.192 274 E C 2.288 178.939 176.600 0.085 0.000 0.984 274 E CA 0.705 57.168 56.400 0.106 0.000 0.806 274 E CB -0.318 29.415 29.700 0.055 0.000 0.750 274 E HN 0.410 nan 8.360 nan 0.000 0.458 275 L N 0.564 121.800 121.223 0.022 0.000 2.042 275 L HA -0.235 4.106 4.340 0.002 0.000 0.210 275 L C 2.630 179.600 176.870 0.167 0.000 1.076 275 L CA 0.871 55.749 54.840 0.064 0.000 0.749 275 L CB -0.432 41.590 42.059 -0.062 0.000 0.893 275 L HN 0.306 nan 8.230 nan 0.000 0.432 276 C N -0.161 119.197 119.300 0.098 0.000 2.429 276 C HA -0.143 4.318 4.460 0.002 0.000 0.277 276 C C 2.706 177.875 174.990 0.298 0.000 1.262 276 C CA 0.452 59.538 59.018 0.113 0.000 1.733 276 C CB -0.634 27.063 27.740 -0.071 0.000 2.010 276 C HN 0.428 nan 8.230 nan 0.000 0.483 277 I N 0.423 121.195 120.570 0.337 0.000 2.252 277 I HA -0.250 3.921 4.170 0.002 0.000 0.245 277 I C 2.652 178.844 176.117 0.126 0.000 1.102 277 I CA 1.505 62.967 61.300 0.269 0.000 1.385 277 I CB -0.674 37.450 38.000 0.206 0.000 1.064 277 I HN 0.442 nan 8.210 nan 0.000 0.414 278 Q N -0.112 119.739 119.800 0.085 0.000 2.234 278 Q HA -0.184 4.157 4.340 0.002 0.000 0.206 278 Q C 1.305 177.220 176.000 -0.141 0.000 0.980 278 Q CA 1.029 56.810 55.803 -0.036 0.000 0.869 278 Q CB -0.098 28.603 28.738 -0.062 0.000 0.912 278 Q HN 0.614 nan 8.270 nan 0.000 0.436 279 H N -1.437 117.627 119.070 -0.010 0.000 2.567 279 H HA 0.174 4.731 4.556 0.002 0.000 0.294 279 H C 0.850 176.159 175.328 -0.033 0.000 1.050 279 H CA 0.690 56.706 56.048 -0.053 0.000 1.168 279 H CB 0.745 30.437 29.762 -0.117 0.000 1.422 279 H HN 0.470 nan 8.280 nan 0.000 0.562 280 G N 0.778 109.618 108.800 0.066 0.000 2.176 280 G HA2 -0.240 3.721 3.960 0.002 0.000 0.232 280 G HA3 -0.240 3.721 3.960 0.002 0.000 0.232 280 G C -0.098 174.869 174.900 0.112 0.000 0.986 280 G CA -0.035 45.093 45.100 0.047 0.000 0.643 280 G HN 0.410 nan 8.290 nan 0.000 0.522 281 W N 2.483 123.767 121.300 -0.028 0.000 2.238 281 W HA 0.641 5.302 4.660 0.002 0.000 0.321 281 W C 0.245 176.758 176.519 -0.010 0.000 1.293 281 W CA 0.174 57.507 57.345 -0.020 0.000 1.204 281 W CB 0.863 30.323 29.460 0.000 0.000 1.167 281 W HN 0.036 nan 8.180 nan 0.000 0.553 282 T N 9.722 123.922 114.554 -0.590 0.000 2.782 282 T HA 0.179 4.530 4.350 0.002 0.000 0.298 282 T C -2.044 171.879 174.700 -1.296 0.000 0.944 282 T CA -0.891 60.818 62.100 -0.652 0.000 1.001 282 T CB 0.214 68.862 68.868 -0.365 0.000 0.932 282 T HN 0.242 nan 8.240 nan 0.000 0.524 283 P HA 0.279 nan 4.420 nan 0.000 0.272 283 P C 0.431 177.308 177.300 -0.704 0.000 1.230 283 P CA -0.225 62.040 63.100 -1.392 0.000 0.788 283 P CB 0.926 32.223 31.700 -0.671 0.000 0.949 284 G N 0.926 109.506 108.800 -0.367 0.000 2.641 284 G HA2 0.297 4.258 3.960 0.002 0.000 0.239 284 G HA3 0.297 4.258 3.960 0.002 0.000 0.239 284 G C 0.273 174.980 174.900 -0.322 0.000 1.402 284 G CA -0.506 44.501 45.100 -0.155 0.000 1.046 284 G HN 0.717 nan 8.290 nan 0.000 0.565 285 N N -0.680 117.968 118.700 -0.087 0.000 2.381 285 N HA 0.180 4.921 4.740 0.002 0.000 0.257 285 N C 0.321 175.910 175.510 0.131 0.000 1.409 285 N CA 0.070 53.055 53.050 -0.108 0.000 0.836 285 N CB 0.514 38.917 38.487 -0.139 0.000 1.384 285 N HN 0.658 nan 8.380 nan 0.000 0.490 286 G N 0.438 109.397 108.800 0.266 0.000 2.531 286 G HA2 0.382 4.343 3.960 0.002 0.000 0.313 286 G HA3 0.382 4.343 3.960 0.002 0.000 0.313 286 G C 0.526 175.532 174.900 0.177 0.000 1.238 286 G CA -0.632 44.593 45.100 0.209 0.000 0.994 286 G HN 0.114 nan 8.290 nan 0.000 0.493 287 R N -1.254 119.282 120.500 0.060 0.000 2.210 287 R HA 0.127 4.468 4.340 0.002 0.000 0.203 287 R C -0.118 175.816 176.300 -0.609 0.000 1.010 287 R CA 0.683 56.648 56.100 -0.226 0.000 1.008 287 R CB 0.160 30.297 30.300 -0.273 0.000 0.923 287 R HN 0.396 nan 8.270 nan 0.000 0.469 288 F N 0.965 120.861 119.950 -0.089 0.000 2.623 288 F HA 0.254 4.782 4.527 0.002 0.000 0.361 288 F C -0.721 175.081 175.800 0.004 0.000 1.469 288 F CA -1.093 56.629 58.000 -0.463 0.000 1.126 288 F CB 0.638 39.148 39.000 -0.817 0.000 1.221 288 F HN -0.291 nan 8.300 nan 0.000 0.536 289 D N 1.718 122.300 120.400 0.302 0.000 2.316 289 D HA 0.172 4.813 4.640 0.002 0.000 0.245 289 D C 0.226 176.770 176.300 0.407 0.000 1.171 289 D CA 0.117 54.346 54.000 0.383 0.000 0.856 289 D CB 2.195 43.264 40.800 0.449 0.000 1.090 289 D HN -0.045 nan 8.370 nan 0.000 0.476 290 V N 4.001 124.120 119.914 0.341 0.000 2.485 290 V HA -0.025 4.096 4.120 0.002 0.000 0.287 290 V C 1.072 177.167 176.094 0.003 0.000 1.022 290 V CA -0.168 62.207 62.300 0.125 0.000 1.067 290 V CB 0.124 31.983 31.823 0.060 0.000 0.967 290 V HN 0.339 nan 8.190 nan 0.000 0.479 291 L N 8.277 129.397 121.223 -0.171 0.000 2.464 291 L HA 0.342 4.683 4.340 0.002 0.000 0.264 291 L C -1.616 175.003 176.870 -0.418 0.000 1.199 291 L CA -1.308 53.273 54.840 -0.432 0.000 0.818 291 L CB 0.829 42.649 42.059 -0.398 0.000 1.102 291 L HN 0.490 nan 8.230 nan 0.000 0.473 292 P HA 0.278 nan 4.420 nan 0.000 0.278 292 P C -1.207 175.934 177.300 -0.265 0.000 1.266 292 P CA -0.556 62.305 63.100 -0.398 0.000 0.807 292 P CB 1.121 32.495 31.700 -0.544 0.000 1.094 293 L N 0.686 121.839 121.223 -0.117 0.000 2.309 293 L HA 0.424 4.765 4.340 0.002 0.000 0.282 293 L C 0.336 177.182 176.870 -0.040 0.000 1.036 293 L CA -0.829 53.982 54.840 -0.048 0.000 0.806 293 L CB 0.857 42.944 42.059 0.046 0.000 1.220 293 L HN 0.194 nan 8.230 nan 0.000 0.429 294 L N 5.092 126.272 121.223 -0.070 0.000 2.283 294 L HA 0.464 4.805 4.340 0.002 0.000 0.281 294 L C -0.629 176.147 176.870 -0.157 0.000 1.033 294 L CA -0.248 54.474 54.840 -0.197 0.000 0.848 294 L CB 0.948 42.804 42.059 -0.339 0.000 1.226 294 L HN 0.436 nan 8.230 nan 0.000 0.429 295 L N 3.870 125.041 121.223 -0.086 0.000 2.317 295 L HA 0.522 4.863 4.340 0.002 0.000 0.281 295 L C -0.263 176.528 176.870 -0.132 0.000 1.024 295 L CA -0.410 54.380 54.840 -0.082 0.000 0.810 295 L CB 1.821 43.811 42.059 -0.115 0.000 1.240 295 L HN 0.570 nan 8.230 nan 0.000 0.427 296 Q N 2.415 122.157 119.800 -0.096 0.000 2.310 296 Q HA 0.678 5.019 4.340 0.002 0.000 0.270 296 Q C -1.214 174.730 176.000 -0.093 0.000 1.025 296 Q CA -0.585 55.160 55.803 -0.096 0.000 0.772 296 Q CB 2.251 30.974 28.738 -0.026 0.000 1.253 296 Q HN 0.786 nan 8.270 nan 0.000 0.450 297 A N 4.912 127.637 122.820 -0.158 0.000 2.293 297 A HA 0.639 4.960 4.320 0.002 0.000 0.302 297 A C -2.406 174.936 177.584 -0.403 0.000 1.119 297 A CA -1.664 50.152 52.037 -0.368 0.000 0.823 297 A CB 0.158 19.038 19.000 -0.201 0.000 1.097 297 A HN 0.644 nan 8.150 nan 0.000 0.491 298 P HA -0.055 nan 4.420 nan 0.000 0.259 298 P C -0.537 176.658 177.300 -0.176 0.000 1.155 298 P CA 1.016 63.889 63.100 -0.378 0.000 0.759 298 P CB 0.079 31.534 31.700 -0.407 0.000 0.753 299 D N 0.148 120.492 120.400 -0.092 0.000 2.792 299 D HA -0.190 4.451 4.640 0.002 0.000 0.231 299 D C -0.008 176.275 176.300 -0.029 0.000 1.160 299 D CA 1.330 55.309 54.000 -0.036 0.000 0.697 299 D CB -0.455 40.326 40.800 -0.031 0.000 1.070 299 D HN 0.455 nan 8.370 nan 0.000 0.426 300 E N -0.697 119.478 120.200 -0.042 0.000 2.312 300 E HA 0.671 5.022 4.350 0.002 0.000 0.267 300 E C 0.050 176.632 176.600 -0.030 0.000 0.894 300 E CA -0.793 55.585 56.400 -0.038 0.000 0.773 300 E CB 1.637 31.300 29.700 -0.062 0.000 1.241 300 E HN 0.127 nan 8.360 nan 0.000 0.432 301 A N 3.195 125.999 122.820 -0.027 0.000 2.445 301 A HA 0.363 4.684 4.320 0.002 0.000 0.242 301 A C -1.968 175.512 177.584 -0.173 0.000 1.075 301 A CA -0.802 51.208 52.037 -0.046 0.000 0.777 301 A CB -0.523 18.481 19.000 0.007 0.000 1.013 301 A HN 0.298 nan 8.150 nan 0.000 0.493 302 P HA 0.204 nan 4.420 nan 0.000 0.272 302 P C -0.621 176.431 177.300 -0.414 0.000 1.223 302 P CA 0.050 62.797 63.100 -0.588 0.000 0.784 302 P CB 0.749 31.637 31.700 -1.354 0.000 0.923 303 E N 0.459 120.508 120.200 -0.252 0.000 2.221 303 E HA 0.441 4.792 4.350 0.002 0.000 0.268 303 E C -0.814 175.603 176.600 -0.305 0.000 0.933 303 E CA -1.060 55.201 56.400 -0.233 0.000 0.809 303 E CB 1.403 31.039 29.700 -0.108 0.000 1.190 303 E HN 0.252 nan 8.360 nan 0.000 0.406 304 L N 2.798 123.718 121.223 -0.505 0.000 2.289 304 L HA 0.435 4.776 4.340 0.002 0.000 0.285 304 L C -1.604 174.782 176.870 -0.808 0.000 1.049 304 L CA 0.054 54.630 54.840 -0.439 0.000 0.804 304 L CB 0.162 42.067 42.059 -0.256 0.000 1.195 304 L HN 0.396 nan 8.230 nan 0.000 0.428 305 F N 4.267 123.993 119.950 -0.375 0.000 2.562 305 F HA 0.450 4.978 4.527 0.002 0.000 0.319 305 F C -0.260 175.294 175.800 -0.411 0.000 1.154 305 F CA -0.896 56.728 58.000 -0.627 0.000 0.931 305 F CB 1.776 39.993 39.000 -1.305 0.000 1.198 305 F HN 0.017 nan 8.300 nan 0.000 0.444 306 V N 4.851 124.694 119.914 -0.119 0.000 2.461 306 V HA 0.259 4.380 4.120 0.002 0.000 0.275 306 V C 0.244 176.462 176.094 0.207 0.000 1.047 306 V CA -0.623 61.702 62.300 0.042 0.000 0.955 306 V CB 1.222 33.097 31.823 0.087 0.000 0.988 306 V HN 0.547 nan 8.190 nan 0.000 0.471 307 L N 7.371 128.726 121.223 0.220 0.000 2.380 307 L HA 0.306 4.647 4.340 0.002 0.000 0.273 307 L C -2.088 174.891 176.870 0.182 0.000 1.138 307 L CA -1.539 53.465 54.840 0.274 0.000 0.832 307 L CB 0.720 42.868 42.059 0.149 0.000 1.124 307 L HN 0.443 nan 8.230 nan 0.000 0.454 308 P HA 0.050 nan 4.420 nan 0.000 0.261 308 P C -2.025 175.320 177.300 0.076 0.000 1.203 308 P CA -0.849 62.316 63.100 0.109 0.000 0.767 308 P CB 0.378 32.124 31.700 0.076 0.000 0.785 309 P HA -0.240 nan 4.420 nan 0.000 0.217 309 P C 1.263 178.593 177.300 0.050 0.000 1.148 309 P CA 1.371 64.511 63.100 0.067 0.000 0.834 309 P CB -0.125 31.618 31.700 0.072 0.000 0.783 310 E N -0.861 119.364 120.200 0.042 0.000 2.482 310 E HA -0.079 4.272 4.350 0.002 0.000 0.196 310 E C 1.375 177.990 176.600 0.024 0.000 1.047 310 E CA 0.768 57.186 56.400 0.030 0.000 0.869 310 E CB -0.775 28.940 29.700 0.024 0.000 0.836 310 E HN 0.239 nan 8.360 nan 0.000 0.520 311 L N 0.700 121.938 121.223 0.025 0.000 2.416 311 L HA 0.088 4.429 4.340 0.002 0.000 0.216 311 L C 0.715 177.599 176.870 0.023 0.000 1.098 311 L CA 0.448 55.298 54.840 0.017 0.000 0.840 311 L CB 0.554 42.614 42.059 0.002 0.000 0.981 311 L HN -0.119 nan 8.230 nan 0.000 0.462 312 V N 1.720 121.650 119.914 0.026 0.000 2.284 312 V HA 0.182 4.303 4.120 0.002 0.000 0.260 312 V C 0.000 176.122 176.094 0.046 0.000 1.084 312 V CA -0.744 61.571 62.300 0.025 0.000 0.894 312 V CB 0.741 32.569 31.823 0.008 0.000 1.119 312 V HN 0.002 nan 8.190 nan 0.000 0.484 313 L N 5.394 126.651 121.223 0.057 0.000 2.410 313 L HA 0.405 4.746 4.340 0.002 0.000 0.273 313 L C 0.224 177.135 176.870 0.069 0.000 1.152 313 L CA 0.836 55.705 54.840 0.049 0.000 0.855 313 L CB 0.348 42.433 42.059 0.043 0.000 1.129 313 L HN 0.643 nan 8.230 nan 0.000 0.463 314 E N 3.322 123.539 120.200 0.028 0.000 2.336 314 E HA 0.594 4.945 4.350 0.002 0.000 0.267 314 E C -1.481 175.063 176.600 -0.093 0.000 0.906 314 E CA -1.039 55.375 56.400 0.024 0.000 0.781 314 E CB 2.449 32.190 29.700 0.069 0.000 1.261 314 E HN 0.354 nan 8.360 nan 0.000 0.436 315 V N 2.597 122.422 119.914 -0.150 0.000 2.376 315 V HA 0.287 4.408 4.120 0.002 0.000 0.287 315 V C -2.446 173.568 176.094 -0.133 0.000 1.015 315 V CA -2.034 60.109 62.300 -0.262 0.000 0.834 315 V CB 1.247 32.651 31.823 -0.699 0.000 1.001 315 V HN 0.522 nan 8.190 nan 0.000 0.428 316 P HA 0.212 nan 4.420 nan 0.000 0.267 316 P C -0.538 176.756 177.300 -0.010 0.000 1.205 316 P CA 0.052 63.111 63.100 -0.068 0.000 0.765 316 P CB 0.491 32.160 31.700 -0.052 0.000 0.828 317 L N 4.348 125.598 121.223 0.045 0.000 2.276 317 L HA 0.403 4.744 4.340 0.002 0.000 0.286 317 L C 1.007 178.040 176.870 0.273 0.000 1.061 317 L CA -0.079 54.863 54.840 0.169 0.000 0.807 317 L CB 0.413 42.635 42.059 0.271 0.000 1.177 317 L HN 0.480 nan 8.230 nan 0.000 0.429 318 E N 1.940 122.276 120.200 0.228 0.000 2.416 318 E HA 0.426 4.777 4.350 0.002 0.000 0.273 318 E C -1.297 175.340 176.600 0.062 0.000 0.935 318 E CA -0.969 55.577 56.400 0.244 0.000 0.784 318 E CB 2.343 32.148 29.700 0.177 0.000 1.301 318 E HN 0.430 nan 8.360 nan 0.000 0.454 319 H N 1.042 119.986 119.070 -0.209 0.000 2.472 319 H HA 0.262 4.819 4.556 0.002 0.000 0.338 319 H C -2.010 173.007 175.328 -0.518 0.000 1.133 319 H CA -2.179 53.576 56.048 -0.488 0.000 1.216 319 H CB 1.967 31.325 29.762 -0.674 0.000 1.497 319 H HN 0.318 nan 8.280 nan 0.000 0.500 320 P HA -0.135 nan 4.420 nan 0.000 0.216 320 P C 1.015 178.179 177.300 -0.227 0.000 1.153 320 P CA 2.487 65.103 63.100 -0.806 0.000 0.858 320 P CB 0.364 31.612 31.700 -0.753 0.000 0.789 321 T N -5.625 109.000 114.554 0.118 0.000 2.955 321 T HA 0.203 4.554 4.350 0.002 0.000 0.251 321 T C 0.628 175.258 174.700 -0.118 0.000 1.002 321 T CA -0.138 61.973 62.100 0.017 0.000 0.970 321 T CB -0.545 68.340 68.868 0.029 0.000 1.091 321 T HN -0.100 nan 8.240 nan 0.000 0.495 322 L N 4.052 125.058 121.223 -0.361 0.000 2.334 322 L HA 0.335 4.676 4.340 0.002 0.000 0.286 322 L C 1.963 178.437 176.870 -0.660 0.000 1.108 322 L CA -0.645 53.730 54.840 -0.775 0.000 0.875 322 L CB 0.764 41.937 42.059 -1.477 0.000 1.246 322 L HN 0.304 nan 8.230 nan 0.000 0.439 323 E N 4.721 124.706 120.200 -0.357 0.000 2.118 323 E HA -0.247 4.104 4.350 0.002 0.000 0.195 323 E C 1.630 178.175 176.600 -0.092 0.000 0.992 323 E CA 1.577 57.891 56.400 -0.144 0.000 0.804 323 E CB -0.286 29.411 29.700 -0.005 0.000 0.741 323 E HN 0.833 nan 8.360 nan 0.000 0.458 324 W N -0.222 121.119 121.300 0.068 0.000 2.699 324 W HA 0.061 4.722 4.660 0.002 0.000 0.249 324 W C 1.592 178.157 176.519 0.078 0.000 1.280 324 W CA -0.152 57.226 57.345 0.055 0.000 1.345 324 W CB -1.164 28.310 29.460 0.023 0.000 1.128 324 W HN -0.115 nan 8.180 nan 0.000 0.642 325 F N 2.931 122.633 119.950 -0.413 0.000 2.171 325 F HA -0.104 4.424 4.527 0.001 0.000 0.300 325 F C 2.665 178.475 175.800 0.017 0.000 1.090 325 F CA 2.802 60.675 58.000 -0.212 0.000 1.293 325 F CB -0.487 38.271 39.000 -0.404 0.000 1.013 325 F HN -0.080 nan 8.300 nan 0.000 0.486 326 A N -0.024 122.902 122.820 0.177 0.000 2.019 326 A HA -0.061 4.260 4.320 0.002 0.000 0.219 326 A C 2.257 179.884 177.584 0.072 0.000 1.164 326 A CA 1.393 53.510 52.037 0.132 0.000 0.644 326 A CB -1.348 17.715 19.000 0.105 0.000 0.805 326 A HN 0.410 nan 8.150 nan 0.000 0.449 327 A N -0.540 122.334 122.820 0.090 0.000 2.172 327 A HA 0.158 4.479 4.320 0.002 0.000 0.216 327 A C 1.847 179.458 177.584 0.045 0.000 1.154 327 A CA 0.856 52.941 52.037 0.080 0.000 0.701 327 A CB -0.503 18.569 19.000 0.120 0.000 0.789 327 A HN 0.485 nan 8.150 nan 0.000 0.465 328 L N -1.159 120.057 121.223 -0.011 0.000 2.478 328 L HA 0.062 4.403 4.340 0.002 0.000 0.223 328 L C 1.807 178.674 176.870 -0.006 0.000 1.140 328 L CA 0.559 55.366 54.840 -0.054 0.000 0.842 328 L CB -0.469 41.441 42.059 -0.248 0.000 0.953 328 L HN 0.554 nan 8.230 nan 0.000 0.452 329 G N 0.950 109.748 108.800 -0.004 0.000 2.225 329 G HA2 -0.297 3.664 3.960 0.002 0.000 0.267 329 G HA3 -0.297 3.664 3.960 0.002 0.000 0.267 329 G C 0.226 175.084 174.900 -0.071 0.000 1.024 329 G CA 0.101 45.200 45.100 -0.001 0.000 0.784 329 G HN 0.263 nan 8.290 nan 0.000 0.507 330 L N -0.522 120.644 121.223 -0.094 0.000 2.439 330 L HA 0.787 5.128 4.340 0.002 0.000 0.261 330 L C 1.113 177.761 176.870 -0.370 0.000 1.153 330 L CA -0.515 54.207 54.840 -0.196 0.000 0.808 330 L CB 0.928 42.986 42.059 -0.002 0.000 1.126 330 L HN 0.596 nan 8.230 nan 0.000 0.460 331 R N 1.119 121.222 120.500 -0.662 0.000 2.728 331 R HA 0.465 4.806 4.340 0.002 0.000 0.274 331 R C -2.174 174.065 176.300 -0.101 0.000 1.032 331 R CA -1.053 54.813 56.100 -0.390 0.000 0.866 331 R CB 1.479 31.475 30.300 -0.506 0.000 1.263 331 R HN 0.637 nan 8.270 nan 0.000 0.475 332 W N 1.741 122.997 121.300 -0.073 0.000 3.213 332 W HA 0.348 5.009 4.660 0.002 0.000 0.318 332 W C -1.225 175.379 176.519 0.143 0.000 1.248 332 W CA -0.999 56.403 57.345 0.095 0.000 1.187 332 W CB 1.923 31.341 29.460 -0.069 0.000 1.403 332 W HN 0.702 nan 8.180 nan 0.000 0.556 333 Y N 1.147 121.378 120.300 -0.116 0.000 2.314 333 Y HA 0.544 5.095 4.550 0.002 0.000 0.334 333 Y C 0.812 176.961 175.900 0.414 0.000 1.266 333 Y CA 0.174 58.301 58.100 0.045 0.000 1.391 333 Y CB 0.223 38.583 38.460 -0.167 0.000 1.306 333 Y HN 0.346 nan 8.280 nan 0.000 0.558 334 A N 2.157 125.270 122.820 0.488 0.000 1.970 334 A HA 0.057 4.378 4.320 0.002 0.000 0.216 334 A C 0.550 178.522 177.584 0.647 0.000 1.170 334 A CA 0.391 52.771 52.037 0.572 0.000 0.645 334 A CB -0.335 18.835 19.000 0.284 0.000 0.816 334 A HN 0.679 nan 8.150 nan 0.000 0.447 335 L N 1.919 123.479 121.223 0.563 0.000 2.255 335 L HA 0.406 4.747 4.340 0.002 0.000 0.289 335 L C -2.530 174.565 176.870 0.376 0.000 1.046 335 L CA -2.122 52.954 54.840 0.394 0.000 0.816 335 L CB 1.503 43.702 42.059 0.234 0.000 1.197 335 L HN -0.019 nan 8.230 nan 0.000 0.427 336 P HA 0.304 nan 4.420 nan 0.000 0.273 336 P C -1.359 175.873 177.300 -0.113 0.000 1.531 336 P CA -0.324 62.698 63.100 -0.131 0.000 1.027 336 P CB 1.150 32.322 31.700 -0.880 0.000 1.387 337 A N 4.560 127.320 122.820 -0.100 0.000 2.399 337 A HA 0.422 4.743 4.320 0.002 0.000 0.327 337 A C 0.033 177.407 177.584 -0.350 0.000 1.367 337 A CA -0.658 51.243 52.037 -0.228 0.000 0.842 337 A CB 0.569 19.445 19.000 -0.207 0.000 1.142 337 A HN 0.289 nan 8.150 nan 0.000 0.495 338 V N 2.880 122.431 119.914 -0.605 0.000 2.521 338 V HA 0.228 4.349 4.120 0.002 0.000 0.286 338 V C 1.192 176.866 176.094 -0.701 0.000 1.034 338 V CA 1.130 63.018 62.300 -0.687 0.000 1.045 338 V CB 1.003 32.222 31.823 -1.007 0.000 0.974 338 V HN 1.057 nan 8.190 nan 0.000 0.480 339 S N 1.532 117.024 115.700 -0.346 0.000 2.780 339 S HA 0.063 4.534 4.470 0.002 0.000 0.248 339 S C 0.746 175.309 174.600 -0.062 0.000 1.036 339 S CA 0.046 58.131 58.200 -0.192 0.000 1.061 339 S CB -0.451 62.681 63.200 -0.113 0.000 1.037 339 S HN 0.916 nan 8.310 nan 0.000 0.584 340 N N 0.421 119.087 118.700 -0.056 0.000 2.203 340 N HA 0.296 5.037 4.740 0.002 0.000 0.207 340 N C 0.180 175.722 175.510 0.053 0.000 1.130 340 N CA -0.497 52.564 53.050 0.018 0.000 0.861 340 N CB 0.116 38.622 38.487 0.032 0.000 1.005 340 N HN 0.269 nan 8.380 nan 0.000 0.507 341 M N 1.371 121.002 119.600 0.053 0.000 2.342 341 M HA 0.317 4.798 4.480 0.002 0.000 0.332 341 M C -0.632 175.788 176.300 0.199 0.000 1.166 341 M CA -0.829 54.543 55.300 0.120 0.000 1.086 341 M CB 2.439 35.122 32.600 0.139 0.000 1.541 341 M HN 0.121 nan 8.290 nan 0.000 0.462 342 L N 2.917 124.248 121.223 0.179 0.000 2.295 342 L HA 0.513 4.854 4.340 0.002 0.000 0.285 342 L C -1.306 175.685 176.870 0.201 0.000 1.035 342 L CA -0.876 54.068 54.840 0.173 0.000 0.806 342 L CB 1.126 43.236 42.059 0.086 0.000 1.214 342 L HN 0.584 nan 8.230 nan 0.000 0.426 343 L N 5.278 126.619 121.223 0.197 0.000 2.272 343 L HA 0.452 4.793 4.340 0.002 0.000 0.289 343 L C -0.528 176.375 176.870 0.056 0.000 1.032 343 L CA 0.232 55.078 54.840 0.010 0.000 0.810 343 L CB 1.146 43.201 42.059 -0.006 0.000 1.205 343 L HN 0.622 nan 8.230 nan 0.000 0.422 344 E N 6.561 126.706 120.200 -0.093 0.000 2.145 344 E HA 0.407 4.758 4.350 0.002 0.000 0.270 344 E C -1.582 174.940 176.600 -0.130 0.000 0.906 344 E CA -0.442 55.915 56.400 -0.072 0.000 0.761 344 E CB 1.155 30.806 29.700 -0.082 0.000 1.116 344 E HN 0.724 nan 8.360 nan 0.000 0.408 345 I N 2.533 123.033 120.570 -0.117 0.000 2.478 345 I HA 0.267 4.438 4.170 0.002 0.000 0.287 345 I C 0.773 176.670 176.117 -0.367 0.000 1.042 345 I CA -0.730 60.378 61.300 -0.321 0.000 1.067 345 I CB 2.017 39.767 38.000 -0.418 0.000 1.233 345 I HN 0.787 nan 8.210 nan 0.000 0.431 346 G N 4.238 112.857 108.800 -0.302 0.000 2.379 346 G HA2 -0.123 3.838 3.960 0.002 0.000 0.297 346 G HA3 -0.123 3.838 3.960 0.002 0.000 0.297 346 G C 1.049 176.010 174.900 0.101 0.000 1.004 346 G CA 0.840 45.942 45.100 0.003 0.000 0.921 346 G HN 1.561 nan 8.290 nan 0.000 0.511 347 G N -1.974 106.833 108.800 0.012 0.000 2.234 347 G HA2 -0.265 3.696 3.960 0.002 0.000 0.260 347 G HA3 -0.265 3.696 3.960 0.002 0.000 0.260 347 G C 0.550 175.394 174.900 -0.095 0.000 0.987 347 G CA 0.567 45.671 45.100 0.007 0.000 0.625 347 G HN 1.297 nan 8.290 nan 0.000 0.532 348 L N 0.746 121.852 121.223 -0.196 0.000 2.350 348 L HA 0.581 4.922 4.340 0.002 0.000 0.275 348 L C 0.343 176.950 176.870 -0.439 0.000 1.099 348 L CA -0.348 54.249 54.840 -0.405 0.000 0.808 348 L CB 1.102 42.820 42.059 -0.567 0.000 1.149 348 L HN 0.191 nan 8.230 nan 0.000 0.442 349 E N 2.439 122.295 120.200 -0.573 0.000 2.176 349 E HA 0.374 4.725 4.350 0.002 0.000 0.267 349 E C -1.507 174.711 176.600 -0.637 0.000 0.893 349 E CA -0.444 55.694 56.400 -0.436 0.000 0.761 349 E CB 1.748 31.317 29.700 -0.219 0.000 1.133 349 E HN 0.264 nan 8.360 nan 0.000 0.409 350 F N 2.008 121.922 119.950 -0.060 0.000 2.293 350 F HA 0.104 4.632 4.527 0.002 0.000 0.370 350 F C 1.525 177.354 175.800 0.049 0.000 1.090 350 F CA -0.532 57.460 58.000 -0.015 0.000 1.133 350 F CB 1.086 40.061 39.000 -0.042 0.000 1.360 350 F HN 0.430 nan 8.300 nan 0.000 0.489 351 S N 1.335 117.123 115.700 0.146 0.000 2.469 351 S HA 0.130 4.601 4.470 0.002 0.000 0.238 351 S C 0.815 175.533 174.600 0.197 0.000 0.998 351 S CA 0.456 58.743 58.200 0.146 0.000 0.957 351 S CB -0.030 63.239 63.200 0.115 0.000 0.764 351 S HN 0.514 nan 8.310 nan 0.000 0.514 352 A N 0.332 123.314 122.820 0.271 0.000 2.457 352 A HA 0.822 5.143 4.320 0.002 0.000 0.283 352 A C -0.257 177.569 177.584 0.403 0.000 1.166 352 A CA -0.164 52.061 52.037 0.314 0.000 0.740 352 A CB 1.058 20.230 19.000 0.286 0.000 1.181 352 A HN 1.041 nan 8.150 nan 0.000 0.446 353 A N 4.140 127.142 122.820 0.302 0.000 3.399 353 A HA 0.633 4.954 4.320 0.002 0.000 0.262 353 A C -3.014 174.691 177.584 0.202 0.000 1.145 353 A CA -0.933 51.240 52.037 0.228 0.000 0.916 353 A CB 0.396 19.538 19.000 0.237 0.000 1.360 353 A HN 0.516 nan 8.150 nan 0.000 0.628 354 P HA 0.379 nan 4.420 nan 0.000 0.265 354 P C -0.745 176.538 177.300 -0.027 0.000 1.193 354 P CA 0.504 63.541 63.100 -0.105 0.000 0.765 354 P CB 0.230 31.838 31.700 -0.153 0.000 0.823 355 F N 0.040 119.924 119.950 -0.110 0.000 2.588 355 F HA 0.796 5.324 4.527 0.002 0.000 0.314 355 F C -0.631 175.081 175.800 -0.148 0.000 1.069 355 F CA -1.275 56.664 58.000 -0.102 0.000 0.931 355 F CB 1.630 40.458 39.000 -0.286 0.000 1.260 355 F HN 0.434 nan 8.300 nan 0.000 0.465 356 S N 0.232 116.045 115.700 0.189 0.000 2.570 356 S HA 0.936 5.407 4.470 0.002 0.000 0.270 356 S C -0.763 173.809 174.600 -0.046 0.000 1.149 356 S CA -0.172 58.069 58.200 0.068 0.000 0.837 356 S CB 1.460 64.764 63.200 0.172 0.000 1.124 356 S HN 1.535 nan 8.310 nan 0.000 0.465 357 G N -0.077 108.652 108.800 -0.119 0.000 3.341 357 G HA2 0.702 4.663 3.960 0.002 0.000 0.186 357 G HA3 0.702 4.663 3.960 0.002 0.000 0.186 357 G C -1.514 173.416 174.900 0.050 0.000 1.430 357 G CA -0.083 44.880 45.100 -0.228 0.000 0.961 357 G HN 1.246 nan 8.290 nan 0.000 0.767 358 W N -1.442 119.862 121.300 0.007 0.000 3.075 358 W HA 0.812 5.473 4.660 0.002 0.000 0.334 358 W C -1.690 174.824 176.519 -0.008 0.000 1.243 358 W CA -2.095 55.273 57.345 0.037 0.000 1.170 358 W CB 0.404 29.927 29.460 0.105 0.000 1.452 358 W HN 0.390 nan 8.180 nan 0.000 0.572 359 Y N 2.513 122.991 120.300 0.297 0.000 2.379 359 Y HA 0.316 4.867 4.550 0.002 0.000 0.337 359 Y C 0.814 176.771 175.900 0.096 0.000 1.238 359 Y CA -0.489 57.669 58.100 0.097 0.000 1.405 359 Y CB 1.129 39.550 38.460 -0.064 0.000 1.310 359 Y HN 0.453 nan 8.280 nan 0.000 0.569 360 M N 1.950 121.693 119.600 0.239 0.000 2.205 360 M HA 0.207 4.688 4.480 0.002 0.000 0.344 360 M C 1.015 177.327 176.300 0.020 0.000 1.085 360 M CA -0.322 55.056 55.300 0.130 0.000 1.001 360 M CB 1.196 33.849 32.600 0.088 0.000 1.626 360 M HN 0.839 nan 8.290 nan 0.000 0.442 361 S N 1.352 117.024 115.700 -0.047 0.000 2.400 361 S HA -0.228 4.243 4.470 0.002 0.000 0.234 361 S C 1.493 175.984 174.600 -0.182 0.000 1.049 361 S CA 2.334 60.438 58.200 -0.161 0.000 1.039 361 S CB -1.498 61.646 63.200 -0.093 0.000 0.856 361 S HN 0.933 nan 8.310 nan 0.000 0.465 362 T N 0.237 114.712 114.554 -0.130 0.000 2.881 362 T HA -0.052 4.299 4.350 0.002 0.000 0.270 362 T C 1.566 176.136 174.700 -0.217 0.000 1.068 362 T CA 1.267 63.240 62.100 -0.211 0.000 1.131 362 T CB -0.620 68.077 68.868 -0.286 0.000 0.871 362 T HN 0.623 nan 8.240 nan 0.000 0.479 363 E N 0.904 121.005 120.200 -0.165 0.000 2.085 363 E HA -0.051 4.300 4.350 0.002 0.000 0.194 363 E C 2.053 178.427 176.600 -0.377 0.000 0.994 363 E CA 1.381 57.693 56.400 -0.146 0.000 0.801 363 E CB -0.298 29.469 29.700 0.112 0.000 0.743 363 E HN 0.595 nan 8.360 nan 0.000 0.453 364 I N 0.172 120.388 120.570 -0.590 0.000 2.368 364 I HA -0.056 4.115 4.170 0.002 0.000 0.238 364 I C 2.620 178.410 176.117 -0.545 0.000 1.076 364 I CA 0.884 61.656 61.300 -0.881 0.000 1.397 364 I CB -0.624 36.769 38.000 -1.012 0.000 1.141 364 I HN 0.112 nan 8.210 nan 0.000 0.430 365 G N 0.289 108.869 108.800 -0.367 0.000 2.440 365 G HA2 -0.197 3.764 3.960 0.002 0.000 0.218 365 G HA3 -0.197 3.764 3.960 0.002 0.000 0.218 365 G C 1.618 176.416 174.900 -0.170 0.000 1.154 365 G CA 1.657 46.631 45.100 -0.211 0.000 0.767 365 G HN 0.306 nan 8.290 nan 0.000 0.552 366 T N -0.027 114.406 114.554 -0.202 0.000 2.898 366 T HA 0.093 4.444 4.350 0.002 0.000 0.241 366 T C 2.547 177.148 174.700 -0.164 0.000 1.024 366 T CA 0.376 62.373 62.100 -0.171 0.000 1.174 366 T CB 0.032 68.780 68.868 -0.200 0.000 0.873 366 T HN 0.016 nan 8.240 nan 0.000 0.422 367 R N 1.977 122.362 120.500 -0.192 0.000 2.056 367 R HA 0.128 4.469 4.340 0.002 0.000 0.227 367 R C 2.209 178.402 176.300 -0.177 0.000 1.149 367 R CA 1.129 57.126 56.100 -0.171 0.000 0.937 367 R CB -1.256 28.951 30.300 -0.156 0.000 0.835 367 R HN 0.320 nan 8.270 nan 0.000 0.430 368 N N 0.979 119.522 118.700 -0.261 0.000 2.120 368 N HA -0.097 4.644 4.740 0.002 0.000 0.188 368 N C 1.950 177.382 175.510 -0.130 0.000 1.024 368 N CA 1.111 53.994 53.050 -0.278 0.000 0.852 368 N CB -0.229 37.758 38.487 -0.833 0.000 1.003 368 N HN 0.197 nan 8.380 nan 0.000 0.424 369 L N -0.954 120.154 121.223 -0.191 0.000 2.354 369 L HA 0.089 4.430 4.340 0.002 0.000 0.212 369 L C 1.409 178.306 176.870 0.044 0.000 1.091 369 L CA 0.371 55.194 54.840 -0.029 0.000 0.828 369 L CB 0.184 42.204 42.059 -0.066 0.000 0.973 369 L HN 0.154 nan 8.230 nan 0.000 0.461 370 C N -1.433 117.855 119.300 -0.020 0.000 3.065 370 C HA 0.160 4.621 4.460 0.002 0.000 0.285 370 C C 0.722 175.703 174.990 -0.015 0.000 1.257 370 C CA -0.876 58.142 59.018 -0.001 0.000 1.691 370 C CB -0.349 27.376 27.740 -0.026 0.000 2.089 370 C HN 0.298 nan 8.230 nan 0.000 0.630 371 D N 2.868 123.232 120.400 -0.061 0.000 2.472 371 D HA 0.046 4.687 4.640 0.002 0.000 0.237 371 D C -1.040 175.247 176.300 -0.022 0.000 1.141 371 D CA -1.327 52.620 54.000 -0.088 0.000 0.875 371 D CB 0.661 41.267 40.800 -0.324 0.000 1.192 371 D HN 0.195 nan 8.370 nan 0.000 0.450 372 P HA -0.161 nan 4.420 nan 0.000 0.218 372 P C 0.635 178.036 177.300 0.168 0.000 1.149 372 P CA 1.338 64.525 63.100 0.146 0.000 0.817 372 P CB 0.024 31.822 31.700 0.164 0.000 0.785 373 H N -2.277 116.804 119.070 0.019 0.000 2.519 373 H HA 0.375 4.932 4.556 0.002 0.000 0.289 373 H C 0.952 176.289 175.328 0.015 0.000 1.040 373 H CA -0.349 55.707 56.048 0.014 0.000 1.165 373 H CB -0.133 29.638 29.762 0.014 0.000 1.462 373 H HN -0.022 nan 8.280 nan 0.000 0.555 374 R N -0.250 120.159 120.500 -0.152 0.000 3.066 374 R HA 0.192 4.533 4.340 0.002 0.000 0.143 374 R C 1.029 177.299 176.300 -0.050 0.000 1.187 374 R CA -0.761 55.280 56.100 -0.099 0.000 0.722 374 R CB -0.807 29.450 30.300 -0.071 0.000 1.366 374 R HN 0.084 nan 8.270 nan 0.000 0.421 375 Y N 1.589 121.898 120.300 0.015 0.000 2.421 375 Y HA -0.125 4.426 4.550 0.002 0.000 0.292 375 Y C 0.757 176.679 175.900 0.037 0.000 1.136 375 Y CA 1.203 59.326 58.100 0.038 0.000 1.255 375 Y CB -0.341 38.174 38.460 0.092 0.000 0.991 375 Y HN 0.502 nan 8.280 nan 0.000 0.552 376 N N 0.657 119.445 118.700 0.148 0.000 2.686 376 N HA -0.233 4.508 4.740 0.002 0.000 0.261 376 N C 0.355 175.948 175.510 0.138 0.000 1.001 376 N CA 0.825 53.942 53.050 0.113 0.000 0.764 376 N CB -1.332 37.205 38.487 0.083 0.000 0.898 376 N HN 0.666 nan 8.380 nan 0.000 0.544 377 I N -3.503 117.161 120.570 0.158 0.000 3.793 377 I HA 0.071 4.242 4.170 0.002 0.000 0.315 377 I C 1.561 177.778 176.117 0.167 0.000 1.275 377 I CA -0.386 61.007 61.300 0.155 0.000 1.214 377 I CB -0.087 38.008 38.000 0.157 0.000 1.018 377 I HN 0.091 nan 8.210 nan 0.000 0.439 378 L N 1.855 123.183 121.223 0.176 0.000 1.997 378 L HA -0.255 4.086 4.340 0.002 0.000 0.216 378 L C 2.596 179.689 176.870 0.371 0.000 1.074 378 L CA 2.163 57.141 54.840 0.230 0.000 0.763 378 L CB -1.023 41.129 42.059 0.155 0.000 0.890 378 L HN 0.490 nan 8.230 nan 0.000 0.434 379 E N -1.102 119.315 120.200 0.362 0.000 2.077 379 E HA -0.228 4.123 4.350 0.002 0.000 0.193 379 E C 1.795 178.452 176.600 0.095 0.000 0.989 379 E CA 1.283 57.832 56.400 0.248 0.000 0.800 379 E CB 0.033 29.805 29.700 0.120 0.000 0.746 379 E HN 0.508 nan 8.360 nan 0.000 0.452 380 D N -0.016 120.437 120.400 0.088 0.000 2.104 380 D HA -0.160 4.481 4.640 0.002 0.000 0.194 380 D C 2.058 178.376 176.300 0.030 0.000 0.994 380 D CA 1.191 55.211 54.000 0.033 0.000 0.830 380 D CB -0.141 40.685 40.800 0.044 0.000 0.959 380 D HN 0.132 nan 8.370 nan 0.000 0.452 381 V N 1.541 121.530 119.914 0.125 0.000 2.427 381 V HA -0.208 3.913 4.120 0.002 0.000 0.248 381 V C 2.562 178.755 176.094 0.165 0.000 1.051 381 V CA 1.641 64.067 62.300 0.211 0.000 1.048 381 V CB -0.734 31.293 31.823 0.339 0.000 0.666 381 V HN 0.163 nan 8.190 nan 0.000 0.456 382 A N -0.054 122.877 122.820 0.185 0.000 1.877 382 A HA -0.159 4.162 4.320 0.002 0.000 0.216 382 A C 2.394 179.958 177.584 -0.033 0.000 1.186 382 A CA 2.098 54.234 52.037 0.164 0.000 0.620 382 A CB -0.716 18.456 19.000 0.287 0.000 0.822 382 A HN 0.330 nan 8.150 nan 0.000 0.443 383 V N -0.834 119.013 119.914 -0.111 0.000 2.407 383 V HA -0.312 3.809 4.120 0.002 0.000 0.248 383 V C 2.634 178.569 176.094 -0.266 0.000 1.055 383 V CA 1.972 64.164 62.300 -0.181 0.000 1.049 383 V CB -1.068 30.655 31.823 -0.167 0.000 0.662 383 V HN 0.716 nan 8.190 nan 0.000 0.455 384 C N -0.435 118.642 119.300 -0.372 0.000 2.425 384 C HA -0.147 4.314 4.460 0.002 0.000 0.277 384 C C 2.647 177.112 174.990 -0.876 0.000 1.280 384 C CA 1.052 59.584 59.018 -0.811 0.000 1.744 384 C CB -0.941 26.044 27.740 -1.258 0.000 1.989 384 C HN 0.526 nan 8.230 nan 0.000 0.491 385 M N 0.163 119.514 119.600 -0.415 0.000 2.659 385 M HA 0.021 4.502 4.480 0.002 0.000 0.243 385 M C 0.454 176.706 176.300 -0.079 0.000 1.111 385 M CA 0.782 56.031 55.300 -0.085 0.000 1.070 385 M CB -0.380 32.316 32.600 0.159 0.000 1.525 385 M HN 0.253 nan 8.290 nan 0.000 0.517 386 D N 1.918 122.225 120.400 -0.155 0.000 2.737 386 D HA -0.163 4.477 4.640 0.002 0.000 0.238 386 D C -1.070 175.195 176.300 -0.059 0.000 1.157 386 D CA 0.572 54.503 54.000 -0.115 0.000 0.694 386 D CB -0.937 39.802 40.800 -0.102 0.000 1.021 386 D HN 0.310 nan 8.370 nan 0.000 0.420 387 L N 0.042 121.235 121.223 -0.050 0.000 2.387 387 L HA 0.375 4.716 4.340 0.002 0.000 0.266 387 L C 1.042 177.863 176.870 -0.080 0.000 1.059 387 L CA -0.969 53.869 54.840 -0.004 0.000 0.801 387 L CB 0.806 42.927 42.059 0.104 0.000 1.223 387 L HN -0.029 nan 8.230 nan 0.000 0.456 388 D N 0.819 121.197 120.400 -0.037 0.000 2.455 388 D HA -0.007 4.634 4.640 0.002 0.000 0.234 388 D C 0.990 177.164 176.300 -0.211 0.000 1.224 388 D CA -0.095 53.856 54.000 -0.082 0.000 0.999 388 D CB 0.623 41.421 40.800 -0.004 0.000 1.072 388 D HN 0.608 nan 8.370 nan 0.000 0.514 389 T N 0.384 114.665 114.554 -0.454 0.000 3.194 389 T HA 0.077 4.428 4.350 0.002 0.000 0.251 389 T C 1.532 175.956 174.700 -0.462 0.000 1.132 389 T CA -0.042 61.495 62.100 -0.939 0.000 1.028 389 T CB 0.015 68.232 68.868 -1.084 0.000 0.976 389 T HN 0.248 nan 8.240 nan 0.000 0.535 390 R N 0.486 120.857 120.500 -0.215 0.000 2.189 390 R HA 0.138 4.479 4.340 0.002 0.000 0.218 390 R C 0.938 177.235 176.300 -0.006 0.000 1.074 390 R CA 0.751 56.794 56.100 -0.095 0.000 0.991 390 R CB 0.014 30.276 30.300 -0.063 0.000 0.883 390 R HN 0.377 nan 8.270 nan 0.000 0.457 391 T N -1.535 113.053 114.554 0.057 0.000 2.894 391 T HA 0.111 4.462 4.350 0.002 0.000 0.309 391 T C 1.051 175.911 174.700 0.266 0.000 1.208 391 T CA -0.472 61.707 62.100 0.132 0.000 1.016 391 T CB 1.852 70.771 68.868 0.085 0.000 1.192 391 T HN 0.192 nan 8.240 nan 0.000 0.491 392 T N 0.581 115.267 114.554 0.220 0.000 2.777 392 T HA -0.102 4.249 4.350 0.002 0.000 0.266 392 T C 2.151 176.923 174.700 0.120 0.000 1.040 392 T CA 1.854 64.065 62.100 0.184 0.000 1.141 392 T CB -0.910 68.012 68.868 0.090 0.000 0.868 392 T HN 0.731 nan 8.240 nan 0.000 0.444 393 S N 2.382 118.141 115.700 0.098 0.000 2.493 393 S HA -0.135 4.336 4.470 0.002 0.000 0.243 393 S C 2.154 176.804 174.600 0.083 0.000 0.991 393 S CA 1.151 59.392 58.200 0.069 0.000 0.957 393 S CB -1.051 62.182 63.200 0.055 0.000 0.756 393 S HN 0.817 nan 8.310 nan 0.000 0.521 394 S N 1.627 117.411 115.700 0.140 0.000 2.522 394 S HA 0.216 4.687 4.470 0.002 0.000 0.227 394 S C 0.997 175.682 174.600 0.142 0.000 0.986 394 S CA 0.320 58.610 58.200 0.150 0.000 0.929 394 S CB -0.932 62.390 63.200 0.202 0.000 0.769 394 S HN 0.634 nan 8.310 nan 0.000 0.529 395 L N 0.646 121.925 121.223 0.094 0.000 3.865 395 L HA -0.171 4.170 4.340 0.002 0.000 0.408 395 L C 1.632 178.500 176.870 -0.003 0.000 1.209 395 L CA 0.724 55.556 54.840 -0.013 0.000 0.940 395 L CB -2.557 39.503 42.059 0.001 0.000 1.971 395 L HN 0.744 nan 8.230 nan 0.000 0.899 396 W N 0.172 121.486 121.300 0.023 0.000 2.363 396 W HA -0.150 4.510 4.660 0.001 0.000 0.296 396 W C 1.727 178.268 176.519 0.036 0.000 1.212 396 W CA 1.349 58.711 57.345 0.029 0.000 1.260 396 W CB -0.748 28.725 29.460 0.022 0.000 1.131 396 W HN 0.273 nan 8.180 nan 0.000 0.530 397 K N 1.070 120.905 120.400 -0.941 0.000 2.057 397 K HA -0.167 4.154 4.320 0.002 0.000 0.207 397 K C 1.537 177.953 176.600 -0.308 0.000 1.049 397 K CA 2.388 58.177 56.287 -0.830 0.000 0.931 397 K CB -0.362 31.542 32.500 -0.993 0.000 0.714 397 K HN 0.079 nan 8.250 nan 0.000 0.440 398 D N 0.619 120.878 120.400 -0.234 0.000 2.117 398 D HA -0.117 4.524 4.640 0.002 0.000 0.198 398 D C 1.684 177.966 176.300 -0.030 0.000 0.982 398 D CA 1.161 55.095 54.000 -0.111 0.000 0.828 398 D CB 0.049 40.797 40.800 -0.088 0.000 0.967 398 D HN 0.107 nan 8.370 nan 0.000 0.464 399 K N 0.504 120.913 120.400 0.014 0.000 2.057 399 K HA -0.024 4.297 4.320 0.002 0.000 0.207 399 K C 2.211 178.877 176.600 0.109 0.000 1.049 399 K CA 1.111 57.442 56.287 0.074 0.000 0.931 399 K CB -0.146 32.422 32.500 0.113 0.000 0.714 399 K HN 0.087 nan 8.250 nan 0.000 0.440 400 A N 1.591 124.493 122.820 0.137 0.000 1.877 400 A HA -0.113 4.208 4.320 0.002 0.000 0.216 400 A C 2.397 180.066 177.584 0.141 0.000 1.186 400 A CA 1.816 53.968 52.037 0.192 0.000 0.620 400 A CB -0.752 18.398 19.000 0.251 0.000 0.822 400 A HN 0.329 nan 8.150 nan 0.000 0.443 401 A N -0.472 122.384 122.820 0.059 0.000 1.908 401 A HA -0.072 4.249 4.320 0.002 0.000 0.218 401 A C 2.242 179.840 177.584 0.023 0.000 1.181 401 A CA 1.994 54.042 52.037 0.020 0.000 0.627 401 A CB -1.046 17.926 19.000 -0.047 0.000 0.818 401 A HN 0.429 nan 8.150 nan 0.000 0.445 402 V N 0.333 120.265 119.914 0.031 0.000 2.343 402 V HA -0.220 3.901 4.120 0.002 0.000 0.247 402 V C 2.541 178.661 176.094 0.045 0.000 1.051 402 V CA 2.143 64.465 62.300 0.037 0.000 1.036 402 V CB -0.739 31.113 31.823 0.048 0.000 0.654 402 V HN 0.533 nan 8.190 nan 0.000 0.451 403 E N -0.058 120.195 120.200 0.088 0.000 2.150 403 E HA -0.133 4.218 4.350 0.002 0.000 0.193 403 E C 2.128 178.737 176.600 0.015 0.000 0.985 403 E CA 1.189 57.656 56.400 0.112 0.000 0.814 403 E CB -0.278 29.543 29.700 0.202 0.000 0.752 403 E HN 0.594 nan 8.360 nan 0.000 0.466 404 I N 1.271 121.885 120.570 0.073 0.000 2.252 404 I HA -0.268 3.903 4.170 0.002 0.000 0.245 404 I C 1.709 177.800 176.117 -0.043 0.000 1.102 404 I CA 1.020 62.361 61.300 0.068 0.000 1.385 404 I CB -0.302 37.803 38.000 0.175 0.000 1.064 404 I HN 0.028 nan 8.210 nan 0.000 0.414 405 N N 0.649 119.324 118.700 -0.041 0.000 2.244 405 N HA -0.164 4.577 4.740 0.002 0.000 0.183 405 N C 1.664 177.128 175.510 -0.077 0.000 1.016 405 N CA 0.825 53.838 53.050 -0.061 0.000 0.866 405 N CB -0.193 38.277 38.487 -0.029 0.000 0.980 405 N HN 0.154 nan 8.380 nan 0.000 0.430 406 L N 0.557 121.717 121.223 -0.104 0.000 2.093 406 L HA 0.026 4.367 4.340 0.002 0.000 0.208 406 L C 1.976 178.691 176.870 -0.259 0.000 1.085 406 L CA 1.278 56.013 54.840 -0.174 0.000 0.755 406 L CB -0.785 41.135 42.059 -0.233 0.000 0.904 406 L HN 0.154 nan 8.230 nan 0.000 0.435 407 A N -1.287 121.320 122.820 -0.355 0.000 1.902 407 A HA -0.142 4.179 4.320 0.002 0.000 0.217 407 A C 2.259 179.773 177.584 -0.116 0.000 1.181 407 A CA 1.924 53.721 52.037 -0.401 0.000 0.623 407 A CB -1.057 17.438 19.000 -0.842 0.000 0.818 407 A HN 0.269 nan 8.150 nan 0.000 0.443 408 V N 0.081 119.951 119.914 -0.074 0.000 2.295 408 V HA -0.268 3.853 4.120 0.002 0.000 0.246 408 V C 2.586 178.708 176.094 0.048 0.000 1.049 408 V CA 2.017 64.324 62.300 0.012 0.000 1.024 408 V CB -0.771 30.982 31.823 -0.116 0.000 0.648 408 V HN 0.562 nan 8.190 nan 0.000 0.447 409 L N -0.686 120.524 121.223 -0.022 0.000 2.017 409 L HA -0.216 4.125 4.340 0.002 0.000 0.208 409 L C 2.620 179.520 176.870 0.050 0.000 1.073 409 L CA 2.141 56.982 54.840 0.001 0.000 0.745 409 L CB -0.822 41.226 42.059 -0.019 0.000 0.894 409 L HN 0.461 nan 8.230 nan 0.000 0.432 410 H N -0.144 118.879 119.070 -0.078 0.000 2.289 410 H HA -0.176 4.381 4.556 0.002 0.000 0.296 410 H C 2.372 177.686 175.328 -0.024 0.000 1.091 410 H CA 2.121 58.116 56.048 -0.089 0.000 1.274 410 H CB -0.127 29.519 29.762 -0.194 0.000 1.364 410 H HN 0.154 nan 8.280 nan 0.000 0.490 411 S N -0.390 115.260 115.700 -0.083 0.000 2.359 411 S HA -0.164 4.307 4.470 0.002 0.000 0.224 411 S C 2.102 176.663 174.600 -0.066 0.000 1.035 411 S CA 1.465 59.602 58.200 -0.104 0.000 1.018 411 S CB -0.639 62.590 63.200 0.047 0.000 0.876 411 S HN 0.399 nan 8.310 nan 0.000 0.448 412 F N 1.924 121.814 119.950 -0.100 0.000 2.171 412 F HA -0.141 4.387 4.527 0.002 0.000 0.300 412 F C 2.781 178.527 175.800 -0.090 0.000 1.090 412 F CA 1.134 59.097 58.000 -0.063 0.000 1.293 412 F CB -0.296 38.691 39.000 -0.022 0.000 1.013 412 F HN 0.236 nan 8.300 nan 0.000 0.486 413 Q N -0.410 119.421 119.800 0.053 0.000 2.119 413 Q HA -0.198 4.143 4.340 0.002 0.000 0.201 413 Q C 2.170 178.108 176.000 -0.103 0.000 0.972 413 Q CA 1.289 57.076 55.803 -0.027 0.000 0.847 413 Q CB -0.399 28.317 28.738 -0.036 0.000 0.903 413 Q HN 0.378 nan 8.270 nan 0.000 0.433 414 L N 0.664 121.765 121.223 -0.203 0.000 2.046 414 L HA -0.063 4.278 4.340 0.002 0.000 0.208 414 L C 1.996 178.776 176.870 -0.151 0.000 1.077 414 L CA 1.920 56.626 54.840 -0.223 0.000 0.747 414 L CB -0.530 41.306 42.059 -0.371 0.000 0.896 414 L HN 0.105 nan 8.230 nan 0.000 0.432 415 A N -1.442 121.283 122.820 -0.159 0.000 2.235 415 A HA 0.007 4.328 4.320 0.002 0.000 0.208 415 A C 0.797 178.313 177.584 -0.113 0.000 1.172 415 A CA 0.190 52.138 52.037 -0.149 0.000 0.786 415 A CB -0.358 18.508 19.000 -0.223 0.000 0.804 415 A HN 0.419 nan 8.150 nan 0.000 0.479 416 K N -1.105 119.243 120.400 -0.086 0.000 3.162 416 K HA -0.124 4.197 4.320 0.002 0.000 0.268 416 K C -0.719 175.855 176.600 -0.044 0.000 1.062 416 K CA 0.790 57.042 56.287 -0.058 0.000 0.769 416 K CB -2.550 29.916 32.500 -0.057 0.000 1.274 416 K HN 0.295 nan 8.250 nan 0.000 0.478 417 V N 1.094 120.997 119.914 -0.017 0.000 2.448 417 V HA 0.191 4.312 4.120 0.002 0.000 0.295 417 V C 0.761 176.961 176.094 0.178 0.000 1.025 417 V CA -0.751 61.580 62.300 0.051 0.000 0.859 417 V CB 2.040 33.833 31.823 -0.050 0.000 0.988 417 V HN 0.292 nan 8.190 nan 0.000 0.431 418 T N 6.174 120.778 114.554 0.083 0.000 2.905 418 T HA 0.355 4.706 4.350 0.002 0.000 0.299 418 T C -0.264 174.488 174.700 0.087 0.000 1.024 418 T CA 1.011 63.077 62.100 -0.057 0.000 1.151 418 T CB -0.019 68.672 68.868 -0.295 0.000 0.987 418 T HN 0.571 nan 8.240 nan 0.000 0.535 419 I N 2.598 123.151 120.570 -0.029 0.000 2.882 419 I HA 0.605 4.776 4.170 0.002 0.000 0.298 419 I C -1.655 174.475 176.117 0.020 0.000 1.462 419 I CA -0.829 60.487 61.300 0.026 0.000 1.000 419 I CB 1.916 39.847 38.000 -0.114 0.000 1.340 419 I HN 0.452 nan 8.210 nan 0.000 0.462 420 V N 5.298 125.287 119.914 0.124 0.000 2.638 420 V HA 0.543 4.664 4.120 0.002 0.000 0.306 420 V C -1.225 174.921 176.094 0.087 0.000 1.052 420 V CA -0.267 62.111 62.300 0.131 0.000 0.885 420 V CB 2.102 34.096 31.823 0.284 0.000 0.999 420 V HN 0.891 nan 8.190 nan 0.000 0.424 421 D N 4.119 124.547 120.400 0.046 0.000 2.358 421 D HA 0.176 4.817 4.640 0.002 0.000 0.244 421 D C 1.266 177.565 176.300 -0.001 0.000 1.163 421 D CA 0.210 54.219 54.000 0.015 0.000 0.945 421 D CB 0.443 41.215 40.800 -0.047 0.000 1.152 421 D HN 0.722 nan 8.370 nan 0.000 0.451 422 H N -0.339 118.667 119.070 -0.106 0.000 2.457 422 H HA -0.119 4.438 4.556 0.002 0.000 0.294 422 H C 1.047 176.276 175.328 -0.166 0.000 1.064 422 H CA 1.249 57.196 56.048 -0.167 0.000 1.330 422 H CB -0.575 29.029 29.762 -0.263 0.000 1.395 422 H HN 0.510 nan 8.280 nan 0.000 0.541 423 H N 1.245 120.145 119.070 -0.284 0.000 2.307 423 H HA 0.122 4.679 4.556 0.002 0.000 0.303 423 H C 2.549 177.858 175.328 -0.031 0.000 1.073 423 H CA 1.340 57.303 56.048 -0.142 0.000 1.338 423 H CB -0.342 29.300 29.762 -0.200 0.000 1.389 423 H HN 0.485 nan 8.280 nan 0.000 0.503 424 A N 1.566 124.441 122.820 0.092 0.000 1.883 424 A HA -0.144 4.177 4.320 0.002 0.000 0.217 424 A C 2.728 180.382 177.584 0.116 0.000 1.186 424 A CA 2.073 54.165 52.037 0.093 0.000 0.624 424 A CB -1.005 18.040 19.000 0.076 0.000 0.822 424 A HN 0.442 nan 8.150 nan 0.000 0.444 425 A N -0.261 122.627 122.820 0.113 0.000 1.892 425 A HA -0.180 4.141 4.320 0.002 0.000 0.218 425 A C 2.479 180.155 177.584 0.153 0.000 1.188 425 A CA 2.984 55.103 52.037 0.138 0.000 0.631 425 A CB -1.585 17.482 19.000 0.112 0.000 0.822 425 A HN 0.835 nan 8.150 nan 0.000 0.447 426 T N -2.623 112.007 114.554 0.126 0.000 2.821 426 T HA -0.085 4.266 4.350 0.002 0.000 0.267 426 T C 1.692 176.516 174.700 0.207 0.000 1.046 426 T CA 1.398 63.596 62.100 0.163 0.000 1.139 426 T CB -0.810 68.126 68.868 0.113 0.000 0.871 426 T HN 0.076 nan 8.240 nan 0.000 0.454 427 V N 2.853 122.865 119.914 0.163 0.000 2.343 427 V HA -0.184 3.937 4.120 0.002 0.000 0.247 427 V C 3.227 179.411 176.094 0.149 0.000 1.051 427 V CA 2.140 64.526 62.300 0.144 0.000 1.036 427 V CB -1.049 30.841 31.823 0.111 0.000 0.654 427 V HN 0.807 nan 8.190 nan 0.000 0.451 428 S N -0.282 115.517 115.700 0.165 0.000 2.402 428 S HA -0.214 4.257 4.470 0.002 0.000 0.229 428 S C 1.959 176.686 174.600 0.211 0.000 1.021 428 S CA 1.486 59.786 58.200 0.167 0.000 0.974 428 S CB -0.702 62.601 63.200 0.173 0.000 0.800 428 S HN 0.501 nan 8.310 nan 0.000 0.484 429 F N 2.099 122.112 119.950 0.105 0.000 2.234 429 F HA 0.143 4.671 4.527 0.002 0.000 0.299 429 F C 2.226 178.116 175.800 0.150 0.000 1.087 429 F CA 1.017 59.094 58.000 0.128 0.000 1.340 429 F CB -0.336 38.717 39.000 0.089 0.000 1.031 429 F HN 0.113 nan 8.300 nan 0.000 0.500 430 M N -0.015 119.645 119.600 0.101 0.000 2.159 430 M HA -0.170 4.311 4.480 0.002 0.000 0.263 430 M C 2.191 178.465 176.300 -0.044 0.000 1.063 430 M CA 1.436 56.744 55.300 0.013 0.000 1.110 430 M CB -1.172 31.483 32.600 0.092 0.000 1.374 430 M HN 0.054 nan 8.290 nan 0.000 0.411 431 K N -0.280 120.125 120.400 0.009 0.000 2.057 431 K HA -0.191 4.130 4.320 0.002 0.000 0.206 431 K C 1.963 178.545 176.600 -0.031 0.000 1.050 431 K CA 1.693 57.982 56.287 0.004 0.000 0.935 431 K CB -0.631 31.895 32.500 0.045 0.000 0.715 431 K HN 0.376 nan 8.250 nan 0.000 0.439 432 H N 0.063 119.050 119.070 -0.138 0.000 2.353 432 H HA -0.000 4.557 4.556 0.002 0.000 0.300 432 H C 1.697 176.863 175.328 -0.269 0.000 1.090 432 H CA 2.133 58.074 56.048 -0.178 0.000 1.327 432 H CB -0.155 29.478 29.762 -0.216 0.000 1.383 432 H HN 0.158 nan 8.280 nan 0.000 0.508 433 L N -0.269 120.668 121.223 -0.476 0.000 2.042 433 L HA -0.180 4.161 4.340 0.002 0.000 0.210 433 L C 2.296 179.006 176.870 -0.267 0.000 1.076 433 L CA 1.940 56.522 54.840 -0.429 0.000 0.749 433 L CB -0.496 41.367 42.059 -0.325 0.000 0.893 433 L HN 0.397 nan 8.230 nan 0.000 0.432 434 D N -0.161 120.130 120.400 -0.181 0.000 2.117 434 D HA -0.184 4.457 4.640 0.002 0.000 0.198 434 D C 1.929 178.157 176.300 -0.120 0.000 0.982 434 D CA 1.099 55.031 54.000 -0.113 0.000 0.828 434 D CB 0.119 40.879 40.800 -0.066 0.000 0.967 434 D HN 0.148 nan 8.370 nan 0.000 0.464 435 N N 0.443 119.059 118.700 -0.140 0.000 2.104 435 N HA -0.131 4.610 4.740 0.002 0.000 0.190 435 N C 1.557 176.983 175.510 -0.141 0.000 1.024 435 N CA 0.823 53.809 53.050 -0.106 0.000 0.853 435 N CB -0.217 38.233 38.487 -0.062 0.000 1.008 435 N HN 0.326 nan 8.380 nan 0.000 0.424 436 E N 0.515 120.547 120.200 -0.280 0.000 2.152 436 E HA -0.122 4.229 4.350 0.002 0.000 0.192 436 E C 1.861 178.375 176.600 -0.144 0.000 0.983 436 E CA 0.439 56.684 56.400 -0.258 0.000 0.818 436 E CB -0.094 29.348 29.700 -0.431 0.000 0.758 436 E HN 0.324 nan 8.360 nan 0.000 0.467 437 Q N 1.586 121.309 119.800 -0.128 0.000 2.084 437 Q HA -0.132 4.209 4.340 0.002 0.000 0.202 437 Q C 1.762 177.732 176.000 -0.051 0.000 0.978 437 Q CA 1.766 57.527 55.803 -0.071 0.000 0.844 437 Q CB 0.037 28.738 28.738 -0.062 0.000 0.898 437 Q HN 0.133 nan 8.270 nan 0.000 0.426 438 K N -0.697 119.671 120.400 -0.053 0.000 2.062 438 K HA 0.029 4.350 4.320 0.002 0.000 0.205 438 K C 2.072 178.655 176.600 -0.029 0.000 1.051 438 K CA 0.993 57.258 56.287 -0.036 0.000 0.941 438 K CB -0.214 32.267 32.500 -0.031 0.000 0.719 438 K HN 0.230 nan 8.250 nan 0.000 0.440 439 A N 1.592 124.393 122.820 -0.030 0.000 1.855 439 A HA -0.096 4.225 4.320 0.002 0.000 0.215 439 A C 1.877 179.451 177.584 -0.016 0.000 1.191 439 A CA 1.289 53.319 52.037 -0.011 0.000 0.613 439 A CB -0.126 18.880 19.000 0.009 0.000 0.829 439 A HN 0.171 nan 8.150 nan 0.000 0.442 440 R N -2.401 118.079 120.500 -0.032 0.000 2.476 440 R HA 0.281 4.622 4.340 0.002 0.000 0.276 440 R C 0.842 177.133 176.300 -0.015 0.000 0.941 440 R CA 0.526 56.613 56.100 -0.022 0.000 1.088 440 R CB 0.648 30.931 30.300 -0.028 0.000 1.216 440 R HN 0.723 nan 8.270 nan 0.000 0.533 441 G N 0.811 109.598 108.800 -0.023 0.000 2.137 441 G HA2 -0.175 3.786 3.960 0.002 0.000 0.237 441 G HA3 -0.175 3.786 3.960 0.002 0.000 0.237 441 G C 0.197 175.106 174.900 0.016 0.000 1.002 441 G CA -0.033 45.057 45.100 -0.016 0.000 0.702 441 G HN 0.720 nan 8.290 nan 0.000 0.515 442 G N -2.382 106.429 108.800 0.018 0.000 2.337 442 G HA2 0.549 4.510 3.960 0.002 0.000 0.298 442 G HA3 0.549 4.510 3.960 0.002 0.000 0.298 442 G C -0.838 174.092 174.900 0.049 0.000 1.335 442 G CA 0.426 45.568 45.100 0.070 0.000 0.875 442 G HN 1.968 nan 8.290 nan 0.000 0.579 443 C N 1.967 121.322 119.300 0.092 0.000 2.833 443 C HA 0.689 5.150 4.460 0.002 0.000 0.383 443 C C -2.578 172.400 174.990 -0.021 0.000 1.058 443 C CA -1.118 57.904 59.018 0.007 0.000 1.259 443 C CB 1.217 28.901 27.740 -0.093 0.000 1.726 443 C HN 0.718 nan 8.230 nan 0.000 0.484 444 P HA 0.400 nan 4.420 nan 0.000 0.267 444 P C -0.594 176.596 177.300 -0.183 0.000 1.209 444 P CA 0.644 63.355 63.100 -0.648 0.000 0.763 444 P CB 1.046 32.127 31.700 -1.033 0.000 0.816 445 A N 2.726 125.509 122.820 -0.061 0.000 2.520 445 A HA 0.438 4.759 4.320 0.002 0.000 0.298 445 A C -1.192 176.451 177.584 0.099 0.000 1.051 445 A CA -0.549 51.547 52.037 0.097 0.000 0.690 445 A CB 1.407 20.582 19.000 0.291 0.000 1.281 445 A HN 0.434 nan 8.150 nan 0.000 0.402 446 D N 1.749 122.203 120.400 0.091 0.000 2.473 446 D HA 0.168 4.809 4.640 0.002 0.000 0.226 446 D C 0.826 177.277 176.300 0.252 0.000 1.089 446 D CA -0.526 53.566 54.000 0.153 0.000 0.883 446 D CB 0.362 41.198 40.800 0.061 0.000 1.029 446 D HN 0.582 nan 8.370 nan 0.000 0.517 447 W N 4.248 125.604 121.300 0.093 0.000 2.290 447 W HA -0.360 4.301 4.660 0.002 0.000 0.318 447 W C 1.963 178.528 176.519 0.078 0.000 1.248 447 W CA 2.703 60.089 57.345 0.067 0.000 1.263 447 W CB -0.030 29.442 29.460 0.020 0.000 1.147 447 W HN 0.561 nan 8.180 nan 0.000 0.494 448 A N -1.343 121.785 122.820 0.513 0.000 1.978 448 A HA -0.209 4.112 4.320 0.002 0.000 0.220 448 A C 1.484 179.115 177.584 0.078 0.000 1.170 448 A CA 1.750 53.995 52.037 0.346 0.000 0.636 448 A CB -1.270 17.951 19.000 0.367 0.000 0.810 448 A HN 0.548 nan 8.150 nan 0.000 0.448 449 W N -0.982 120.304 121.300 -0.023 0.000 2.683 449 W HA 0.207 4.868 4.660 0.002 0.000 0.267 449 W C 1.851 178.267 176.519 -0.173 0.000 1.243 449 W CA -0.152 57.148 57.345 -0.074 0.000 1.380 449 W CB -0.128 29.310 29.460 -0.038 0.000 1.063 449 W HN 0.117 nan 8.180 nan 0.000 0.599 450 I N 0.031 120.579 120.570 -0.035 0.000 2.353 450 I HA -0.083 4.088 4.170 0.002 0.000 0.248 450 I C 0.710 176.653 176.117 -0.291 0.000 1.119 450 I CA 0.811 61.961 61.300 -0.250 0.000 1.417 450 I CB -1.525 36.277 38.000 -0.330 0.000 1.078 450 I HN -0.389 nan 8.210 nan 0.000 0.421 451 V N 4.555 124.227 119.914 -0.404 0.000 2.572 451 V HA 0.099 4.220 4.120 0.002 0.000 0.291 451 V C -1.719 174.212 176.094 -0.271 0.000 1.039 451 V CA -1.074 60.971 62.300 -0.425 0.000 1.055 451 V CB 0.397 31.765 31.823 -0.760 0.000 0.969 451 V HN 0.150 nan 8.190 nan 0.000 0.482 452 P HA 0.165 nan 4.420 nan 0.000 0.272 452 P C -2.045 175.122 177.300 -0.222 0.000 1.230 452 P CA -1.452 61.521 63.100 -0.211 0.000 0.788 452 P CB 0.136 31.706 31.700 -0.216 0.000 0.949 453 P HA -0.003 nan 4.420 nan 0.000 0.230 453 P C 0.445 177.627 177.300 -0.197 0.000 1.158 453 P CA 1.183 64.158 63.100 -0.208 0.000 0.769 453 P CB 0.044 31.617 31.700 -0.211 0.000 0.807 454 I N -6.943 113.474 120.570 -0.255 0.000 2.865 454 I HA 0.454 4.625 4.170 0.002 0.000 0.302 454 I C -0.182 175.809 176.117 -0.209 0.000 1.140 454 I CA -1.241 59.924 61.300 -0.224 0.000 1.021 454 I CB 2.044 39.889 38.000 -0.259 0.000 1.233 454 I HN -0.397 nan 8.210 nan 0.000 0.427 455 S N 2.106 117.736 115.700 -0.117 0.000 3.587 455 S HA -0.193 4.278 4.470 0.002 0.000 0.337 455 S C 1.352 175.900 174.600 -0.085 0.000 1.119 455 S CA 0.814 58.981 58.200 -0.055 0.000 0.976 455 S CB -1.783 61.454 63.200 0.061 0.000 0.922 455 S HN 1.299 nan 8.310 nan 0.000 0.503 456 G N 2.465 111.186 108.800 -0.132 0.000 2.631 456 G HA2 -0.338 3.623 3.960 0.002 0.000 0.219 456 G HA3 -0.338 3.623 3.960 0.002 0.000 0.219 456 G C 1.475 176.180 174.900 -0.325 0.000 1.214 456 G CA 1.647 46.664 45.100 -0.138 0.000 0.785 456 G HN 1.336 nan 8.290 nan 0.000 0.596 457 S N 0.426 115.640 115.700 -0.809 0.000 2.547 457 S HA 0.135 4.606 4.470 0.002 0.000 0.235 457 S C 2.087 176.591 174.600 -0.160 0.000 0.980 457 S CA 0.760 58.333 58.200 -1.045 0.000 0.941 457 S CB -0.228 62.243 63.200 -1.216 0.000 0.763 457 S HN 0.336 nan 8.310 nan 0.000 0.532 458 L N 1.962 123.147 121.223 -0.063 0.000 2.554 458 L HA 0.139 4.480 4.340 0.002 0.000 0.226 458 L C 1.206 178.188 176.870 0.187 0.000 1.137 458 L CA 0.473 55.371 54.840 0.097 0.000 0.863 458 L CB -1.019 41.126 42.059 0.143 0.000 0.985 458 L HN 0.480 nan 8.230 nan 0.000 0.451 459 T N -4.385 110.263 114.554 0.157 0.000 2.925 459 T HA 0.330 4.681 4.350 0.002 0.000 0.285 459 T C -1.718 173.145 174.700 0.271 0.000 1.021 459 T CA -2.022 60.194 62.100 0.195 0.000 1.042 459 T CB 2.092 71.026 68.868 0.110 0.000 1.037 459 T HN -0.210 nan 8.240 nan 0.000 0.481 460 P HA -0.090 nan 4.420 nan 0.000 0.220 460 P C 1.793 179.283 177.300 0.316 0.000 1.148 460 P CA 1.060 64.352 63.100 0.320 0.000 0.803 460 P CB -0.329 31.503 31.700 0.220 0.000 0.782 461 V N -3.677 116.368 119.914 0.220 0.000 2.594 461 V HA -0.189 3.932 4.120 0.002 0.000 0.253 461 V C 2.391 178.527 176.094 0.071 0.000 1.069 461 V CA 1.214 63.607 62.300 0.155 0.000 1.082 461 V CB -2.258 29.606 31.823 0.068 0.000 0.680 461 V HN -0.107 nan 8.190 nan 0.000 0.469 462 F N 1.691 121.567 119.950 -0.123 0.000 2.171 462 F HA -0.136 4.392 4.527 0.001 0.000 0.300 462 F C 2.407 178.252 175.800 0.076 0.000 1.090 462 F CA 2.096 59.982 58.000 -0.190 0.000 1.293 462 F CB -0.205 38.588 39.000 -0.345 0.000 1.013 462 F HN 0.274 nan 8.300 nan 0.000 0.486 463 H N -0.925 118.456 119.070 0.518 0.000 2.526 463 H HA 0.127 4.684 4.556 0.001 0.000 0.274 463 H C 0.164 175.739 175.328 0.413 0.000 0.999 463 H CA 0.139 56.462 56.048 0.459 0.000 1.157 463 H CB -0.135 29.883 29.762 0.427 0.000 1.407 463 H HN 0.253 nan 8.280 nan 0.000 0.568 464 Q N 1.937 121.999 119.800 0.437 0.000 2.325 464 Q HA 0.174 4.515 4.340 0.002 0.000 0.262 464 Q C -0.585 175.651 176.000 0.392 0.000 0.968 464 Q CA -0.445 55.572 55.803 0.357 0.000 0.877 464 Q CB 0.902 29.808 28.738 0.279 0.000 1.253 464 Q HN 0.228 nan 8.270 nan 0.000 0.448 465 E N 3.410 123.799 120.200 0.316 0.000 2.383 465 E HA 0.302 4.653 4.350 0.002 0.000 0.264 465 E C -0.447 176.300 176.600 0.244 0.000 1.050 465 E CA 0.206 56.760 56.400 0.257 0.000 0.896 465 E CB 0.857 30.679 29.700 0.204 0.000 0.982 465 E HN 0.602 nan 8.360 nan 0.000 0.424 466 M N 1.159 120.906 119.600 0.245 0.000 2.593 466 M HA 0.424 4.905 4.480 0.002 0.000 0.290 466 M C -1.166 175.249 176.300 0.191 0.000 1.244 466 M CA -1.079 54.361 55.300 0.235 0.000 0.857 466 M CB 2.320 35.104 32.600 0.305 0.000 1.738 466 M HN 0.143 nan 8.290 nan 0.000 0.461 467 V N 1.776 121.810 119.914 0.201 0.000 2.448 467 V HA 0.463 4.584 4.120 0.002 0.000 0.295 467 V C -0.785 175.440 176.094 0.219 0.000 1.025 467 V CA -0.686 61.763 62.300 0.247 0.000 0.859 467 V CB 1.691 33.715 31.823 0.333 0.000 0.988 467 V HN 0.811 nan 8.190 nan 0.000 0.431 468 N N 3.950 122.768 118.700 0.197 0.000 2.372 468 N HA 0.692 5.433 4.740 0.002 0.000 0.291 468 N C -1.221 174.390 175.510 0.169 0.000 1.024 468 N CA -0.408 52.672 53.050 0.049 0.000 0.873 468 N CB 1.405 39.925 38.487 0.055 0.000 1.206 468 N HN 0.663 nan 8.380 nan 0.000 0.486 469 Y N 0.167 120.489 120.300 0.036 0.000 2.677 469 Y HA 0.543 5.093 4.550 0.002 0.000 0.334 469 Y C -1.195 174.712 175.900 0.011 0.000 1.196 469 Y CA -1.250 56.864 58.100 0.023 0.000 1.059 469 Y CB 0.728 39.205 38.460 0.027 0.000 1.315 469 Y HN 0.207 nan 8.280 nan 0.000 0.455 470 I N 3.408 124.083 120.570 0.176 0.000 2.315 470 I HA 0.411 4.582 4.170 0.002 0.000 0.291 470 I C -0.644 175.549 176.117 0.127 0.000 1.006 470 I CA -0.418 60.929 61.300 0.079 0.000 1.265 470 I CB 0.971 39.001 38.000 0.049 0.000 1.387 470 I HN 0.420 nan 8.210 nan 0.000 0.475 471 L N 4.897 126.160 121.223 0.068 0.000 2.330 471 L HA 0.582 4.923 4.340 0.002 0.000 0.271 471 L C -0.033 176.844 176.870 0.011 0.000 1.013 471 L CA -0.550 54.334 54.840 0.073 0.000 0.816 471 L CB 2.076 44.175 42.059 0.067 0.000 1.287 471 L HN 0.519 nan 8.230 nan 0.000 0.435 472 S N 1.306 117.020 115.700 0.023 0.000 2.513 472 S HA 0.626 5.097 4.470 0.002 0.000 0.299 472 S C -2.590 172.026 174.600 0.026 0.000 1.087 472 S CA -1.424 56.777 58.200 0.000 0.000 1.012 472 S CB 1.856 65.070 63.200 0.024 0.000 1.044 472 S HN 0.241 nan 8.310 nan 0.000 0.485 473 P HA 0.356 nan 4.420 nan 0.000 0.266 473 P C -1.314 175.874 177.300 -0.187 0.000 1.193 473 P CA 0.036 63.059 63.100 -0.129 0.000 0.770 473 P CB 0.504 32.094 31.700 -0.184 0.000 0.836 474 A N 2.142 124.819 122.820 -0.238 0.000 2.587 474 A HA 0.712 5.033 4.320 0.002 0.000 0.293 474 A C -1.474 175.914 177.584 -0.327 0.000 1.087 474 A CA -0.535 51.362 52.037 -0.233 0.000 0.692 474 A CB 0.893 19.827 19.000 -0.110 0.000 1.291 474 A HN 0.361 nan 8.150 nan 0.000 0.407 475 F N 0.840 120.711 119.950 -0.132 0.000 2.422 475 F HA 0.721 5.249 4.527 0.002 0.000 0.333 475 F C 1.020 176.710 175.800 -0.184 0.000 1.095 475 F CA 0.097 58.011 58.000 -0.143 0.000 1.038 475 F CB 1.761 40.638 39.000 -0.205 0.000 1.156 475 F HN 0.554 nan 8.300 nan 0.000 0.483 476 R N 1.513 122.026 120.500 0.022 0.000 2.764 476 R HA 0.371 4.712 4.340 0.002 0.000 0.270 476 R C -1.677 174.549 176.300 -0.123 0.000 1.014 476 R CA -1.227 54.810 56.100 -0.106 0.000 0.904 476 R CB 2.009 32.294 30.300 -0.025 0.000 1.236 476 R HN 0.538 nan 8.270 nan 0.000 0.466 477 Y N 1.244 121.560 120.300 0.028 0.000 2.300 477 Y HA 0.175 4.726 4.550 0.002 0.000 0.328 477 Y C 0.710 176.602 175.900 -0.012 0.000 1.270 477 Y CA 0.052 58.156 58.100 0.007 0.000 1.352 477 Y CB 1.147 39.598 38.460 -0.014 0.000 1.286 477 Y HN 0.414 nan 8.280 nan 0.000 0.536 478 Q N 1.126 121.016 119.800 0.149 0.000 2.456 478 Q HA 0.592 4.933 4.340 0.002 0.000 0.284 478 Q C -3.134 172.834 176.000 -0.053 0.000 1.061 478 Q CA -2.552 53.270 55.803 0.031 0.000 0.799 478 Q CB 1.960 30.706 28.738 0.012 0.000 1.445 478 Q HN 0.275 nan 8.270 nan 0.000 0.411 479 P HA 0.058 nan 4.420 nan 0.000 0.268 479 P C -1.027 176.060 177.300 -0.356 0.000 1.208 479 P CA 0.051 63.025 63.100 -0.210 0.000 0.777 479 P CB 0.358 31.949 31.700 -0.182 0.000 0.875 480 D N 3.168 123.224 120.400 -0.573 0.000 2.390 480 D HA 0.038 4.679 4.640 0.002 0.000 0.249 480 D C -1.181 174.474 176.300 -1.074 0.000 1.144 480 D CA -1.355 52.007 54.000 -1.064 0.000 0.880 480 D CB 0.278 40.086 40.800 -1.653 0.000 1.182 480 D HN 0.279 nan 8.370 nan 0.000 0.451 481 P HA -0.063 nan 4.420 nan 0.000 0.249 481 P C -0.444 176.577 177.300 -0.465 0.000 1.227 481 P CA 0.559 63.293 63.100 -0.610 0.000 0.753 481 P CB -0.314 31.073 31.700 -0.523 0.000 0.966 482 W N 0.000 121.010 121.300 -0.483 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.175 57.345 -0.283 0.000 1.226 482 W CB 0.000 29.240 29.460 -0.366 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535