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 3ghg_1_K DATA FIRST_RESID 58 DATA SEQUENCE KAPDAGGCLH ADPDLGVLCP TGCQLQEALL QQERPIRNSV DELNNNVEAV DATA SEQUENCE SQTSSSSFQY MYLLKDLWQK RQKQVKDNEN VVNEYSSELE KHQLYIDETV DATA SEQUENCE NSNIPTNLRV LRSILENLRS KIQKLESDVS AQMEYCRTPC TVScNIPVVS DATA SEQUENCE GKEcEEIIRK GGETSEMYLI QPDSSVKPYR VYcDMNTENG GWTVIQNRQD DATA SEQUENCE GSVDFGRKWD PYKQGFGNVA TNTDGKNYcG LPGEYWLGND KISQLTRMGP DATA SEQUENCE TELLIEMEDW KGDKVKAHYG GFTVQNEANK YQISVNKYRG TAGNALMDGA DATA SEQUENCE SQLMGENRTM TIHNGMFFST YDRDNDGWLT SDPRKQcSKE DGGGWWYNRc DATA SEQUENCE HAANPNGRYY WGGQYTWDMA KHGTDDGVVW MNWKGSWYSM RKMSMKIRPF DATA SEQUENCE F 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 58 K HA 0.000 nan 4.320 nan 0.000 0.191 58 K C 0.000 176.600 176.600 0.000 0.000 0.988 58 K CA 0.000 56.287 56.287 0.000 0.000 0.838 58 K CB 0.000 32.500 32.500 0.000 0.000 1.064 59 A N 3.280 126.100 122.820 0.001 0.000 2.304 59 A HA 0.680 5.000 4.320 -0.000 0.000 0.314 59 A C -2.390 175.194 177.584 0.001 0.000 1.187 59 A CA -1.102 50.935 52.037 0.001 0.000 0.810 59 A CB 0.701 19.701 19.000 0.001 0.000 1.183 59 A HN 0.411 nan 8.150 nan 0.000 0.487 60 P HA 0.741 nan 4.420 nan 0.000 0.283 60 P C -1.547 175.754 177.300 0.002 0.000 1.271 60 P CA -0.249 62.851 63.100 0.001 0.000 0.841 60 P CB 1.648 33.349 31.700 0.001 0.000 1.122 61 D N -0.888 119.513 120.400 0.002 0.000 2.484 61 D HA 0.576 5.216 4.640 -0.000 0.000 0.206 61 D C -1.825 174.477 176.300 0.003 0.000 1.322 61 D CA -0.040 53.961 54.000 0.003 0.000 0.913 61 D CB 0.787 41.589 40.800 0.003 0.000 1.559 61 D HN 0.602 nan 8.370 nan 0.000 0.565 62 A N 1.874 124.696 122.820 0.003 0.000 2.608 62 A HA 0.881 5.201 4.320 -0.000 0.000 0.292 62 A C -0.176 177.411 177.584 0.005 0.000 1.066 62 A CA -0.163 51.876 52.037 0.004 0.000 0.676 62 A CB 1.517 20.519 19.000 0.003 0.000 1.277 62 A HN 1.448 nan 8.150 nan 0.000 0.413 63 G N -0.359 108.445 108.800 0.006 0.000 3.017 63 G HA2 0.663 4.623 3.960 -0.000 0.000 0.680 63 G HA3 0.663 4.623 3.960 -0.000 0.000 0.680 63 G C 0.627 175.532 174.900 0.009 0.000 1.179 63 G CA 0.555 45.658 45.100 0.006 0.000 1.142 63 G HN 3.022 nan 8.290 nan 0.000 0.489 64 G N -0.626 108.180 108.800 0.011 0.000 2.361 64 G HA2 0.673 4.633 3.960 -0.000 0.000 0.305 64 G HA3 0.673 4.633 3.960 -0.000 0.000 0.305 64 G C 0.161 175.071 174.900 0.018 0.000 1.367 64 G CA 0.426 45.536 45.100 0.015 0.000 0.951 64 G HN 2.299 nan 8.290 nan 0.000 0.615 65 C N -1.370 117.945 119.300 0.027 0.000 3.017 65 C HA 0.956 5.416 4.460 -0.000 0.000 0.380 65 C C -0.337 174.676 174.990 0.039 0.000 1.583 65 C CA -1.012 58.023 59.018 0.027 0.000 1.616 65 C CB 0.838 28.594 27.740 0.027 0.000 2.145 65 C HN 1.775 nan 8.230 nan 0.000 0.466 66 L N 0.285 121.529 121.223 0.036 0.000 2.376 66 L HA 0.613 4.953 4.340 -0.000 0.000 0.275 66 L C -0.572 176.333 176.870 0.059 0.000 0.987 66 L CA -0.039 54.830 54.840 0.049 0.000 0.828 66 L CB 0.508 42.583 42.059 0.027 0.000 1.249 66 L HN 0.894 nan 8.230 nan 0.000 0.409 67 H N 3.551 122.621 119.070 -0.000 0.000 2.629 67 H HA 0.595 5.151 4.556 -0.000 0.000 0.357 67 H C 0.298 175.626 175.328 -0.000 0.000 1.121 67 H CA 0.706 56.754 56.048 -0.000 0.000 1.406 67 H CB 1.695 31.456 29.762 -0.000 0.000 1.456 67 H HN 0.862 nan 8.280 nan 0.000 0.579 68 A N 4.225 126.956 122.820 -0.148 0.000 3.135 68 A HA 0.156 4.476 4.320 -0.000 0.000 0.253 68 A C -0.337 177.277 177.584 0.050 0.000 1.638 68 A CA 0.223 52.229 52.037 -0.052 0.000 1.295 68 A CB -0.559 18.377 19.000 -0.106 0.000 1.106 68 A HN 0.701 nan 8.150 nan 0.000 0.648 69 D N 0.700 121.178 120.400 0.129 0.000 2.362 69 D HA 0.163 4.803 4.640 -0.000 0.000 0.228 69 D C -2.578 173.773 176.300 0.084 0.000 1.326 69 D CA -0.829 53.247 54.000 0.127 0.000 0.927 69 D CB 1.426 42.353 40.800 0.212 0.000 1.501 69 D HN 0.007 nan 8.370 nan 0.000 0.519 70 P HA -0.107 nan 4.420 nan 0.000 0.219 70 P C 0.952 178.265 177.300 0.022 0.000 1.144 70 P CA 0.773 63.892 63.100 0.033 0.000 0.806 70 P CB 0.450 32.163 31.700 0.022 0.000 0.771 71 D N -0.945 119.466 120.400 0.018 0.000 2.117 71 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 71 D C 1.559 177.855 176.300 -0.007 0.000 0.987 71 D CA 1.014 55.016 54.000 0.003 0.000 0.829 71 D CB -0.249 40.550 40.800 -0.001 0.000 0.961 71 D HN 0.204 nan 8.370 nan 0.000 0.460 72 L N -0.864 120.353 121.223 -0.011 0.000 2.718 72 L HA 0.433 4.773 4.340 -0.000 0.000 0.147 72 L C 1.667 178.543 176.870 0.010 0.000 1.748 72 L CA 0.230 55.052 54.840 -0.029 0.000 2.748 72 L CB -0.266 41.727 42.059 -0.110 0.000 2.984 72 L HN 0.193 nan 8.230 nan 0.000 0.700 73 G N -1.480 107.341 108.800 0.034 0.000 2.530 73 G HA2 0.031 3.991 3.960 -0.000 0.000 0.081 73 G HA3 0.031 3.991 3.960 -0.000 0.000 0.081 73 G C -1.363 173.572 174.900 0.059 0.000 1.062 73 G CA -0.506 44.624 45.100 0.050 0.000 1.108 73 G HN 0.211 nan 8.290 nan 0.000 0.466 74 V N 1.995 121.930 119.914 0.036 0.000 2.555 74 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 74 V C 0.272 176.381 176.094 0.025 0.000 1.044 74 V CA 0.057 62.377 62.300 0.033 0.000 1.026 74 V CB 0.927 32.763 31.823 0.021 0.000 0.981 74 V HN 0.503 nan 8.190 nan 0.000 0.480 75 L N 4.657 125.898 121.223 0.031 0.000 2.305 75 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 75 L C -0.347 176.532 176.870 0.015 0.000 1.013 75 L CA -0.242 54.609 54.840 0.018 0.000 0.819 75 L CB 1.599 43.673 42.059 0.026 0.000 1.227 75 L HN 0.638 nan 8.230 nan 0.000 0.417 76 C N 2.841 122.146 119.300 0.007 0.000 2.351 76 C HA 0.499 4.959 4.460 -0.000 0.000 0.359 76 C C -1.667 173.326 174.990 0.005 0.000 1.193 76 C CA -1.150 57.872 59.018 0.006 0.000 2.270 76 C CB 0.818 28.560 27.740 0.003 0.000 2.369 76 C HN 0.561 nan 8.230 nan 0.000 0.553 77 P HA 0.143 nan 4.420 nan 0.000 0.266 77 P C -0.104 177.197 177.300 0.002 0.000 1.195 77 P CA 0.387 63.489 63.100 0.004 0.000 0.768 77 P CB 0.190 31.893 31.700 0.004 0.000 0.838 78 T N -1.658 112.896 114.554 0.001 0.000 2.882 78 T HA 0.301 4.651 4.350 -0.000 0.000 0.287 78 T C 1.777 176.477 174.700 -0.000 0.000 1.014 78 T CA -0.044 62.055 62.100 -0.001 0.000 1.049 78 T CB 0.726 69.593 68.868 -0.001 0.000 1.001 78 T HN 0.460 nan 8.240 nan 0.000 0.525 79 G N -0.214 108.586 108.800 -0.001 0.000 2.556 79 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 79 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 79 G C 1.723 176.623 174.900 -0.000 0.000 1.156 79 G CA 1.088 46.188 45.100 -0.001 0.000 0.766 79 G HN 0.912 nan 8.290 nan 0.000 0.583 80 C N -0.027 119.273 119.300 -0.000 0.000 2.403 80 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 80 C C 2.934 177.924 174.990 0.001 0.000 1.248 80 C CA 1.106 60.125 59.018 0.000 0.000 1.762 80 C CB -0.644 27.097 27.740 0.000 0.000 2.014 80 C HN 0.447 nan 8.230 nan 0.000 0.486 81 Q N 0.096 119.897 119.800 0.001 0.000 2.245 81 Q HA 0.104 4.444 4.340 -0.000 0.000 0.201 81 Q C 2.187 178.188 176.000 0.002 0.000 0.955 81 Q CA 0.963 56.767 55.803 0.002 0.000 0.870 81 Q CB -0.354 28.386 28.738 0.003 0.000 0.945 81 Q HN 0.682 nan 8.270 nan 0.000 0.461 82 L N 0.510 121.734 121.223 0.001 0.000 2.049 82 L HA -0.187 4.153 4.340 -0.000 0.000 0.203 82 L C 2.534 179.404 176.870 0.001 0.000 1.074 82 L CA 1.324 56.165 54.840 0.001 0.000 0.749 82 L CB -0.469 41.590 42.059 0.001 0.000 0.907 82 L HN 0.247 nan 8.230 nan 0.000 0.439 83 Q N 0.013 119.814 119.800 0.000 0.000 2.224 83 Q HA -0.244 4.096 4.340 -0.000 0.000 0.203 83 Q C 1.804 177.804 176.000 0.001 0.000 0.970 83 Q CA 1.707 57.510 55.803 0.000 0.000 0.865 83 Q CB -0.174 28.564 28.738 0.000 0.000 0.922 83 Q HN 0.389 nan 8.270 nan 0.000 0.445 84 E N 0.545 120.746 120.200 0.001 0.000 2.122 84 E HA 0.071 4.421 4.350 -0.000 0.000 0.190 84 E C 1.892 178.492 176.600 0.001 0.000 0.977 84 E CA 0.993 57.393 56.400 0.001 0.000 0.820 84 E CB -0.241 29.460 29.700 0.001 0.000 0.770 84 E HN 0.471 nan 8.360 nan 0.000 0.462 85 A N 0.322 123.143 122.820 0.001 0.000 2.015 85 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 85 A C 2.051 179.635 177.584 0.001 0.000 1.163 85 A CA 0.813 52.850 52.037 0.001 0.000 0.646 85 A CB -0.420 18.581 19.000 0.002 0.000 0.806 85 A HN 0.300 nan 8.150 nan 0.000 0.448 86 L N -1.231 119.992 121.223 0.001 0.000 2.068 86 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 86 L C 2.457 179.327 176.870 0.001 0.000 1.076 86 L CA 0.811 55.651 54.840 0.001 0.000 0.753 86 L CB -0.349 41.710 42.059 0.001 0.000 0.910 86 L HN 0.400 nan 8.230 nan 0.000 0.439 87 L N -0.289 120.935 121.223 0.001 0.000 2.189 87 L HA -0.300 4.040 4.340 -0.000 0.000 0.214 87 L C 2.544 179.415 176.870 0.001 0.000 1.097 87 L CA 1.141 55.981 54.840 0.001 0.000 0.764 87 L CB -0.012 42.047 42.059 0.001 0.000 0.900 87 L HN 0.369 nan 8.230 nan 0.000 0.436 88 Q N -0.333 119.467 119.800 0.001 0.000 2.016 88 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 88 Q C 1.750 177.750 176.000 0.001 0.000 0.978 88 Q CA 1.593 57.397 55.803 0.001 0.000 0.833 88 Q CB 0.090 28.828 28.738 0.001 0.000 0.895 88 Q HN 0.433 nan 8.270 nan 0.000 0.427 89 Q N -0.306 119.495 119.800 0.001 0.000 2.329 89 Q HA -0.016 4.324 4.340 -0.000 0.000 0.208 89 Q C 0.754 176.754 176.000 0.001 0.000 0.934 89 Q CA 0.238 56.041 55.803 0.001 0.000 0.951 89 Q CB 0.493 29.231 28.738 0.001 0.000 1.017 89 Q HN 0.292 nan 8.270 nan 0.000 0.490 90 E N 1.043 121.243 120.200 0.001 0.000 2.014 90 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 90 E C 1.411 178.011 176.600 0.001 0.000 0.980 90 E CA 1.333 57.733 56.400 0.001 0.000 0.807 90 E CB 0.216 29.916 29.700 0.001 0.000 0.770 90 E HN 0.200 nan 8.360 nan 0.000 0.451 91 R N 0.617 121.117 120.500 0.001 0.000 2.080 91 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 91 R C -0.571 175.729 176.300 0.001 0.000 1.137 91 R CA 2.050 58.150 56.100 0.001 0.000 0.943 91 R CB -1.551 28.749 30.300 0.001 0.000 0.846 91 R HN 0.387 nan 8.270 nan 0.000 0.431 92 P HA -0.080 nan 4.420 nan 0.000 0.226 92 P C 0.630 177.931 177.300 0.001 0.000 1.153 92 P CA 1.337 64.438 63.100 0.001 0.000 0.777 92 P CB 0.106 31.807 31.700 0.001 0.000 0.794 93 I N -1.489 119.081 120.570 0.001 0.000 3.856 93 I HA 0.303 4.473 4.170 -0.000 0.000 0.330 93 I C 2.090 178.207 176.117 0.001 0.000 1.546 93 I CA -0.163 61.137 61.300 0.001 0.000 1.132 93 I CB 0.059 38.060 38.000 0.001 0.000 1.157 93 I HN -0.135 nan 8.210 nan 0.000 0.440 94 R N 1.221 121.721 120.500 0.001 0.000 2.437 94 R HA 0.066 4.406 4.340 -0.000 0.000 0.184 94 R C 1.810 178.111 176.300 0.001 0.000 0.850 94 R CA 0.615 56.715 56.100 0.001 0.000 1.073 94 R CB -0.005 30.295 30.300 0.001 0.000 1.336 94 R HN 0.229 nan 8.270 nan 0.000 0.640 95 N N 0.116 118.817 118.700 0.001 0.000 2.137 95 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 95 N C 1.432 176.942 175.510 0.001 0.000 1.017 95 N CA 1.994 55.045 53.050 0.001 0.000 0.859 95 N CB -0.107 38.380 38.487 0.001 0.000 1.002 95 N HN 0.028 nan 8.380 nan 0.000 0.428 96 S N -1.251 114.449 115.700 0.001 0.000 2.423 96 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 96 S C 1.665 176.266 174.600 0.001 0.000 1.014 96 S CA 0.766 58.967 58.200 0.001 0.000 0.965 96 S CB -0.073 63.127 63.200 0.001 0.000 0.785 96 S HN 0.266 nan 8.310 nan 0.000 0.495 97 V N 1.360 121.275 119.914 0.001 0.000 2.273 97 V HA -0.076 4.044 4.120 -0.000 0.000 0.242 97 V C 2.127 178.222 176.094 0.002 0.000 1.035 97 V CA 1.531 63.831 62.300 0.002 0.000 1.013 97 V CB -0.677 31.147 31.823 0.001 0.000 0.652 97 V HN 0.321 nan 8.190 nan 0.000 0.452 98 D N -0.197 120.204 120.400 0.002 0.000 2.182 98 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 98 D C 2.176 178.477 176.300 0.002 0.000 0.986 98 D CA 1.464 55.465 54.000 0.002 0.000 0.847 98 D CB -0.057 40.744 40.800 0.002 0.000 0.942 98 D HN 0.590 nan 8.370 nan 0.000 0.467 99 E N -0.103 120.098 120.200 0.002 0.000 2.106 99 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 99 E C 2.261 178.862 176.600 0.002 0.000 0.984 99 E CA 0.424 56.825 56.400 0.002 0.000 0.806 99 E CB 0.030 29.731 29.700 0.001 0.000 0.750 99 E HN 0.234 nan 8.360 nan 0.000 0.458 100 L N 0.705 121.930 121.223 0.003 0.000 2.109 100 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 100 L C 2.132 179.005 176.870 0.005 0.000 1.086 100 L CA 0.693 55.535 54.840 0.004 0.000 0.760 100 L CB -0.419 41.642 42.059 0.004 0.000 0.910 100 L HN 0.185 nan 8.230 nan 0.000 0.437 101 N N 0.486 119.189 118.700 0.004 0.000 2.069 101 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 101 N C 1.532 177.045 175.510 0.006 0.000 1.031 101 N CA 1.234 54.287 53.050 0.005 0.000 0.852 101 N CB -0.440 38.050 38.487 0.004 0.000 1.018 101 N HN 0.291 nan 8.380 nan 0.000 0.423 102 N N 0.884 119.587 118.700 0.005 0.000 2.223 102 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 102 N C 0.833 176.346 175.510 0.005 0.000 1.016 102 N CA 0.848 53.900 53.050 0.004 0.000 0.863 102 N CB -0.382 38.106 38.487 0.003 0.000 0.983 102 N HN 0.345 nan 8.380 nan 0.000 0.429 103 N N -0.220 118.483 118.700 0.005 0.000 2.415 103 N HA 0.031 4.771 4.740 -0.000 0.000 0.176 103 N C 1.493 177.009 175.510 0.010 0.000 1.042 103 N CA 0.273 53.327 53.050 0.006 0.000 0.902 103 N CB 0.181 38.671 38.487 0.005 0.000 0.986 103 N HN 0.076 nan 8.380 nan 0.000 0.447 104 V N -0.141 119.781 119.914 0.013 0.000 3.307 104 V HA 0.149 4.269 4.120 -0.000 0.000 0.253 104 V C 1.106 177.213 176.094 0.022 0.000 1.149 104 V CA 0.950 63.262 62.300 0.019 0.000 1.112 104 V CB 0.132 31.964 31.823 0.016 0.000 0.777 104 V HN 0.046 nan 8.190 nan 0.000 0.464 105 E N -0.038 120.172 120.200 0.017 0.000 2.444 105 E HA 0.364 4.714 4.350 -0.000 0.000 0.209 105 E C 2.037 178.646 176.600 0.015 0.000 0.806 105 E CA 0.799 57.209 56.400 0.018 0.000 1.240 105 E CB 0.118 29.826 29.700 0.013 0.000 1.238 105 E HN 0.363 nan 8.360 nan 0.000 0.591 106 A N 0.434 123.260 122.820 0.010 0.000 1.897 106 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 106 A C 1.801 179.388 177.584 0.005 0.000 1.181 106 A CA 1.353 53.394 52.037 0.007 0.000 0.620 106 A CB 0.007 19.009 19.000 0.005 0.000 0.821 106 A HN 0.111 nan 8.150 nan 0.000 0.443 107 V N -0.976 118.940 119.914 0.003 0.000 3.477 107 V HA 0.172 4.292 4.120 -0.000 0.000 0.297 107 V C 1.463 177.555 176.094 -0.003 0.000 1.433 107 V CA 0.966 63.264 62.300 -0.003 0.000 1.052 107 V CB 0.552 32.371 31.823 -0.006 0.000 0.895 107 V HN 0.491 nan 8.190 nan 0.000 0.438 108 S N -0.354 115.352 115.700 0.011 0.000 2.663 108 S HA 0.115 4.585 4.470 -0.000 0.000 0.243 108 S C 1.429 176.058 174.600 0.049 0.000 1.009 108 S CA 0.073 58.288 58.200 0.025 0.000 0.988 108 S CB 0.208 63.431 63.200 0.038 0.000 0.896 108 S HN 0.581 nan 8.310 nan 0.000 0.502 109 Q N 1.005 120.825 119.800 0.034 0.000 2.163 109 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 109 Q C 1.988 178.007 176.000 0.032 0.000 0.954 109 Q CA 1.857 57.686 55.803 0.044 0.000 0.851 109 Q CB -0.511 28.245 28.738 0.030 0.000 0.928 109 Q HN 0.745 nan 8.270 nan 0.000 0.459 110 T N -1.399 113.153 114.554 -0.003 0.000 2.737 110 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 110 T C 2.019 176.664 174.700 -0.092 0.000 1.040 110 T CA 1.709 63.782 62.100 -0.045 0.000 1.142 110 T CB -0.585 68.248 68.868 -0.058 0.000 0.861 110 T HN 0.188 nan 8.240 nan 0.000 0.456 111 S N 1.178 116.830 115.700 -0.080 0.000 2.353 111 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 111 S C 2.387 176.985 174.600 -0.004 0.000 1.035 111 S CA 1.706 59.799 58.200 -0.178 0.000 1.025 111 S CB -0.912 62.242 63.200 -0.076 0.000 0.902 111 S HN 0.702 nan 8.310 nan 0.000 0.440 112 S N 0.484 116.329 115.700 0.242 0.000 2.400 112 S HA -0.079 4.391 4.470 -0.000 0.000 0.232 112 S C 2.082 176.819 174.600 0.228 0.000 1.025 112 S CA 1.318 59.733 58.200 0.360 0.000 0.993 112 S CB -0.514 62.791 63.200 0.176 0.000 0.808 112 S HN 0.573 nan 8.310 nan 0.000 0.478 113 S N 0.706 116.463 115.700 0.096 0.000 2.425 113 S HA 0.052 4.522 4.470 -0.000 0.000 0.225 113 S C 1.913 176.505 174.600 -0.013 0.000 1.024 113 S CA 0.773 59.013 58.200 0.068 0.000 0.951 113 S CB -0.204 63.019 63.200 0.039 0.000 0.796 113 S HN 0.452 nan 8.310 nan 0.000 0.498 114 S N 0.720 116.306 115.700 -0.191 0.000 2.446 114 S HA 0.142 4.612 4.470 -0.000 0.000 0.225 114 S C 1.222 175.703 174.600 -0.198 0.000 1.016 114 S CA 0.289 58.213 58.200 -0.460 0.000 0.943 114 S CB -0.397 62.500 63.200 -0.506 0.000 0.786 114 S HN 0.548 nan 8.310 nan 0.000 0.508 115 F N 2.637 122.557 119.950 -0.051 0.000 2.192 115 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 115 F C 2.368 178.232 175.800 0.107 0.000 1.079 115 F CA 1.359 59.371 58.000 0.021 0.000 1.303 115 F CB -0.436 38.577 39.000 0.021 0.000 1.024 115 F HN 0.307 nan 8.300 nan 0.000 0.494 116 Q N -2.292 117.709 119.800 0.335 0.000 2.360 116 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 116 Q C 1.116 177.369 176.000 0.422 0.000 0.915 116 Q CA 0.698 56.712 55.803 0.351 0.000 0.943 116 Q CB -1.152 27.738 28.738 0.252 0.000 1.064 116 Q HN 0.308 nan 8.270 nan 0.000 0.511 117 Y N 0.710 121.088 120.300 0.130 0.000 2.651 117 Y HA -0.045 4.505 4.550 -0.000 0.000 0.296 117 Y C 1.558 177.494 175.900 0.060 0.000 1.150 117 Y CA 0.361 58.509 58.100 0.079 0.000 1.348 117 Y CB -0.211 38.267 38.460 0.029 0.000 0.983 117 Y HN 0.192 nan 8.280 nan 0.000 0.555 118 M N -1.897 117.833 119.600 0.217 0.000 2.067 118 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 118 M C 1.673 177.918 176.300 -0.092 0.000 1.069 118 M CA 1.753 57.056 55.300 0.005 0.000 1.117 118 M CB -1.592 30.956 32.600 -0.086 0.000 1.334 118 M HN 0.295 nan 8.290 nan 0.000 0.407 119 Y N -0.583 119.763 120.300 0.077 0.000 2.519 119 Y HA -0.037 4.513 4.550 -0.000 0.000 0.287 119 Y C 2.195 178.116 175.900 0.035 0.000 1.128 119 Y CA 0.106 58.241 58.100 0.058 0.000 1.282 119 Y CB -0.233 38.261 38.460 0.056 0.000 1.027 119 Y HN 0.098 nan 8.280 nan 0.000 0.551 120 L N -0.458 120.849 121.223 0.141 0.000 2.068 120 L HA -0.044 4.296 4.340 -0.000 0.000 0.204 120 L C 1.643 178.493 176.870 -0.035 0.000 1.076 120 L CA 1.767 56.612 54.840 0.009 0.000 0.753 120 L CB -0.453 41.530 42.059 -0.128 0.000 0.910 120 L HN 0.147 nan 8.230 nan 0.000 0.439 121 L N -1.204 119.992 121.223 -0.044 0.000 2.265 121 L HA 0.019 4.359 4.340 -0.000 0.000 0.195 121 L C 2.498 179.407 176.870 0.065 0.000 1.083 121 L CA 0.581 55.412 54.840 -0.015 0.000 0.798 121 L CB -0.710 41.318 42.059 -0.052 0.000 0.989 121 L HN 0.162 nan 8.230 nan 0.000 0.472 122 K N 0.712 121.123 120.400 0.018 0.000 1.991 122 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 122 K C 1.680 178.371 176.600 0.150 0.000 1.049 122 K CA 2.011 58.322 56.287 0.040 0.000 0.932 122 K CB -0.152 32.293 32.500 -0.091 0.000 0.717 122 K HN 0.222 nan 8.250 nan 0.000 0.441 123 D N 0.961 121.384 120.400 0.039 0.000 2.123 123 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 123 D C 1.950 178.307 176.300 0.095 0.000 0.992 123 D CA 0.893 54.928 54.000 0.058 0.000 0.833 123 D CB -0.075 40.750 40.800 0.041 0.000 0.954 123 D HN 0.161 nan 8.370 nan 0.000 0.455 124 L N -0.102 121.179 121.223 0.097 0.000 2.131 124 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 124 L C 2.017 178.946 176.870 0.099 0.000 1.092 124 L CA 1.523 56.409 54.840 0.077 0.000 0.759 124 L CB -0.761 41.335 42.059 0.062 0.000 0.903 124 L HN 0.158 nan 8.230 nan 0.000 0.435 125 W N 0.341 121.624 121.300 -0.028 0.000 2.379 125 W HA -0.213 4.447 4.660 -0.000 0.000 0.307 125 W C 2.677 179.182 176.519 -0.022 0.000 1.200 125 W CA 1.924 59.253 57.345 -0.026 0.000 1.297 125 W CB -0.342 29.100 29.460 -0.029 0.000 1.140 125 W HN 0.343 nan 8.180 nan 0.000 0.507 126 Q N 0.702 120.632 119.800 0.216 0.000 2.248 126 Q HA -0.273 4.067 4.340 -0.000 0.000 0.208 126 Q C 1.870 177.770 176.000 -0.166 0.000 0.984 126 Q CA 2.038 57.843 55.803 0.003 0.000 0.875 126 Q CB -0.169 28.658 28.738 0.148 0.000 0.910 126 Q HN 0.360 nan 8.270 nan 0.000 0.433 127 K N -0.198 120.135 120.400 -0.111 0.000 2.103 127 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 127 K C 2.143 178.633 176.600 -0.184 0.000 1.052 127 K CA 1.225 57.444 56.287 -0.113 0.000 0.945 127 K CB -0.087 32.382 32.500 -0.052 0.000 0.722 127 K HN 0.070 nan 8.250 nan 0.000 0.443 128 R N 1.825 122.163 120.500 -0.271 0.000 2.075 128 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 128 R C 2.249 178.292 176.300 -0.429 0.000 1.126 128 R CA 1.689 57.595 56.100 -0.325 0.000 0.963 128 R CB -0.360 29.727 30.300 -0.356 0.000 0.858 128 R HN 0.195 nan 8.270 nan 0.000 0.435 129 Q N 0.476 119.856 119.800 -0.699 0.000 2.135 129 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 129 Q C 1.907 177.716 176.000 -0.318 0.000 0.981 129 Q CA 2.140 57.551 55.803 -0.652 0.000 0.856 129 Q CB -0.094 28.079 28.738 -0.942 0.000 0.902 129 Q HN 0.454 nan 8.270 nan 0.000 0.425 130 K N -0.176 120.078 120.400 -0.243 0.000 2.031 130 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 130 K C 2.299 178.830 176.600 -0.114 0.000 1.049 130 K CA 1.277 57.480 56.287 -0.139 0.000 0.939 130 K CB -0.110 32.330 32.500 -0.101 0.000 0.717 130 K HN 0.154 nan 8.250 nan 0.000 0.438 131 Q N 1.057 120.784 119.800 -0.122 0.000 2.096 131 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 131 Q C 2.025 177.976 176.000 -0.082 0.000 0.982 131 Q CA 2.167 57.916 55.803 -0.089 0.000 0.850 131 Q CB -0.184 28.502 28.738 -0.087 0.000 0.901 131 Q HN 0.364 nan 8.270 nan 0.000 0.422 132 V N -1.121 118.728 119.914 -0.108 0.000 2.548 132 V HA -0.109 4.011 4.120 -0.000 0.000 0.249 132 V C 2.366 178.419 176.094 -0.068 0.000 1.055 132 V CA 2.031 64.280 62.300 -0.086 0.000 1.065 132 V CB -0.836 30.924 31.823 -0.105 0.000 0.681 132 V HN 0.182 nan 8.190 nan 0.000 0.462 133 K N 0.277 120.628 120.400 -0.081 0.000 2.280 133 K HA -0.189 4.131 4.320 -0.000 0.000 0.202 133 K C 1.452 178.029 176.600 -0.039 0.000 1.047 133 K CA 1.809 58.062 56.287 -0.057 0.000 0.942 133 K CB -0.106 32.357 32.500 -0.062 0.000 0.739 133 K HN 0.566 nan 8.250 nan 0.000 0.457 134 D N -0.347 120.029 120.400 -0.040 0.000 2.277 134 D HA -0.027 4.613 4.640 -0.000 0.000 0.209 134 D C 1.209 177.497 176.300 -0.019 0.000 0.970 134 D CA 0.523 54.505 54.000 -0.029 0.000 0.874 134 D CB -0.036 40.746 40.800 -0.030 0.000 0.982 134 D HN 0.117 nan 8.370 nan 0.000 0.504 135 N N 1.023 119.711 118.700 -0.020 0.000 2.443 135 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 135 N C 1.479 176.992 175.510 0.004 0.000 1.037 135 N CA 0.673 53.722 53.050 -0.003 0.000 0.896 135 N CB -0.017 38.465 38.487 -0.009 0.000 0.959 135 N HN 0.473 nan 8.380 nan 0.000 0.442 136 E N 0.242 120.438 120.200 -0.007 0.000 2.072 136 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 136 E C 0.887 177.490 176.600 0.006 0.000 0.985 136 E CA 1.510 57.910 56.400 -0.001 0.000 0.801 136 E CB -0.449 29.246 29.700 -0.008 0.000 0.750 136 E HN 0.530 nan 8.360 nan 0.000 0.452 137 N N 0.312 119.011 118.700 -0.001 0.000 2.322 137 N HA -0.010 4.730 4.740 -0.000 0.000 0.194 137 N C 1.060 176.566 175.510 -0.006 0.000 1.126 137 N CA 0.254 53.301 53.050 -0.004 0.000 0.845 137 N CB 0.940 39.420 38.487 -0.012 0.000 0.976 137 N HN 0.053 nan 8.380 nan 0.000 0.475 138 V N -0.576 119.344 119.914 0.010 0.000 3.174 138 V HA 0.031 4.151 4.120 -0.000 0.000 0.254 138 V C 2.035 178.195 176.094 0.108 0.000 1.120 138 V CA 0.428 62.745 62.300 0.028 0.000 1.114 138 V CB 0.037 31.892 31.823 0.052 0.000 0.756 138 V HN 0.211 nan 8.190 nan 0.000 0.467 139 V N 2.143 122.111 119.914 0.090 0.000 2.239 139 V HA -0.209 3.911 4.120 -0.000 0.000 0.242 139 V C 2.493 178.648 176.094 0.101 0.000 1.038 139 V CA 2.251 64.615 62.300 0.108 0.000 1.002 139 V CB -1.002 30.852 31.823 0.051 0.000 0.641 139 V HN 0.778 nan 8.190 nan 0.000 0.449 140 N N 1.041 119.772 118.700 0.052 0.000 2.132 140 N HA -0.250 4.490 4.740 -0.000 0.000 0.191 140 N C 1.468 176.995 175.510 0.030 0.000 1.015 140 N CA 1.895 54.965 53.050 0.034 0.000 0.864 140 N CB -0.659 37.837 38.487 0.015 0.000 1.006 140 N HN 0.464 nan 8.380 nan 0.000 0.430 141 E N 0.068 120.271 120.200 0.005 0.000 2.047 141 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 141 E C 1.998 178.569 176.600 -0.048 0.000 0.987 141 E CA 0.788 57.157 56.400 -0.051 0.000 0.799 141 E CB -0.821 28.805 29.700 -0.123 0.000 0.752 141 E HN 0.469 nan 8.360 nan 0.000 0.449 142 Y N 1.886 122.171 120.300 -0.024 0.000 2.081 142 Y HA -0.232 4.318 4.550 -0.000 0.000 0.280 142 Y C 2.743 178.618 175.900 -0.042 0.000 1.163 142 Y CA 1.753 59.832 58.100 -0.036 0.000 1.135 142 Y CB -0.658 37.779 38.460 -0.038 0.000 0.970 142 Y HN -0.037 nan 8.280 nan 0.000 0.498 143 S N -0.464 115.326 115.700 0.150 0.000 2.343 143 S HA -0.215 4.255 4.470 -0.000 0.000 0.219 143 S C 2.232 176.858 174.600 0.043 0.000 1.033 143 S CA 1.529 59.770 58.200 0.069 0.000 1.014 143 S CB -0.714 62.516 63.200 0.050 0.000 0.915 143 S HN 0.449 nan 8.310 nan 0.000 0.435 144 S N 1.698 117.420 115.700 0.036 0.000 2.359 144 S HA -0.169 4.301 4.470 -0.000 0.000 0.222 144 S C 1.907 176.526 174.600 0.032 0.000 1.038 144 S CA 1.192 59.408 58.200 0.027 0.000 1.051 144 S CB -0.594 62.616 63.200 0.016 0.000 0.944 144 S HN 0.322 nan 8.310 nan 0.000 0.433 145 E N 1.053 121.266 120.200 0.023 0.000 2.070 145 E HA -0.126 4.223 4.350 -0.000 0.000 0.197 145 E C 2.070 178.698 176.600 0.045 0.000 1.004 145 E CA 0.907 57.324 56.400 0.028 0.000 0.805 145 E CB -0.560 29.137 29.700 -0.005 0.000 0.744 145 E HN 0.388 nan 8.360 nan 0.000 0.451 146 L N 1.479 122.701 121.223 -0.002 0.000 2.093 146 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 146 L C 1.985 178.854 176.870 -0.002 0.000 1.085 146 L CA 1.688 56.460 54.840 -0.113 0.000 0.755 146 L CB -0.363 41.613 42.059 -0.137 0.000 0.904 146 L HN 0.002 nan 8.230 nan 0.000 0.435 147 E N -0.088 120.135 120.200 0.037 0.000 2.118 147 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 147 E C 2.055 178.717 176.600 0.103 0.000 0.992 147 E CA 1.230 57.667 56.400 0.063 0.000 0.804 147 E CB -0.002 29.724 29.700 0.043 0.000 0.741 147 E HN 0.433 nan 8.360 nan 0.000 0.458 148 K N -0.263 120.206 120.400 0.114 0.000 2.211 148 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 148 K C 1.976 178.702 176.600 0.210 0.000 1.052 148 K CA 0.685 57.048 56.287 0.128 0.000 0.973 148 K CB -0.364 32.192 32.500 0.094 0.000 0.766 148 K HN 0.190 nan 8.250 nan 0.000 0.466 149 H N 1.639 120.762 119.070 0.089 0.000 2.353 149 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 149 H C 1.672 177.067 175.328 0.112 0.000 1.090 149 H CA 2.246 58.352 56.048 0.098 0.000 1.327 149 H CB 0.032 29.820 29.762 0.044 0.000 1.383 149 H HN 0.262 nan 8.280 nan 0.000 0.508 150 Q N 1.076 121.308 119.800 0.720 0.000 2.167 150 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 150 Q C 2.736 178.858 176.000 0.203 0.000 0.970 150 Q CA 1.646 57.707 55.803 0.430 0.000 0.855 150 Q CB -1.022 27.874 28.738 0.263 0.000 0.911 150 Q HN 0.546 nan 8.270 nan 0.000 0.438 151 L N -0.730 120.596 121.223 0.173 0.000 2.129 151 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 151 L C 1.991 178.910 176.870 0.083 0.000 1.087 151 L CA 1.480 56.380 54.840 0.100 0.000 0.757 151 L CB -0.322 41.780 42.059 0.072 0.000 0.896 151 L HN 0.304 nan 8.230 nan 0.000 0.434 152 Y N 0.165 120.457 120.300 -0.014 0.000 2.102 152 Y HA -0.354 4.196 4.550 -0.000 0.000 0.280 152 Y C 2.352 178.228 175.900 -0.041 0.000 1.178 152 Y CA 2.087 60.158 58.100 -0.049 0.000 1.146 152 Y CB 0.052 38.443 38.460 -0.114 0.000 0.968 152 Y HN 0.207 nan 8.280 nan 0.000 0.504 153 I N -0.461 120.203 120.570 0.156 0.000 2.617 153 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 153 I C 1.980 178.134 176.117 0.061 0.000 1.167 153 I CA 1.384 62.739 61.300 0.091 0.000 1.469 153 I CB -1.321 36.724 38.000 0.074 0.000 1.098 153 I HN 0.293 nan 8.210 nan 0.000 0.436 154 D N 1.225 121.660 120.400 0.058 0.000 2.097 154 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 154 D C 1.978 178.285 176.300 0.012 0.000 0.984 154 D CA 1.357 55.377 54.000 0.034 0.000 0.826 154 D CB 0.202 41.022 40.800 0.035 0.000 0.973 154 D HN 0.082 nan 8.370 nan 0.000 0.460 155 E N -0.114 120.083 120.200 -0.005 0.000 2.077 155 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 155 E C 2.216 178.802 176.600 -0.023 0.000 0.989 155 E CA 1.111 57.491 56.400 -0.033 0.000 0.800 155 E CB -0.681 28.967 29.700 -0.087 0.000 0.746 155 E HN 0.361 nan 8.360 nan 0.000 0.452 156 T N 1.341 115.893 114.554 -0.003 0.000 2.555 156 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 156 T C 2.055 176.761 174.700 0.010 0.000 1.083 156 T CA 1.892 64.000 62.100 0.013 0.000 1.179 156 T CB -0.344 68.553 68.868 0.049 0.000 0.863 156 T HN -0.012 nan 8.240 nan 0.000 0.412 157 V N 1.611 121.534 119.914 0.016 0.000 2.970 157 V HA -0.008 4.112 4.120 -0.000 0.000 0.260 157 V C 1.728 177.825 176.094 0.006 0.000 1.100 157 V CA 1.350 63.658 62.300 0.012 0.000 1.122 157 V CB -0.519 31.314 31.823 0.017 0.000 0.721 157 V HN 0.519 nan 8.190 nan 0.000 0.483 158 N N -1.832 116.870 118.700 0.003 0.000 2.145 158 N HA 0.078 4.818 4.740 -0.000 0.000 0.219 158 N C 1.481 176.987 175.510 -0.006 0.000 1.266 158 N CA 0.597 53.647 53.050 -0.000 0.000 0.902 158 N CB 1.002 39.491 38.487 0.002 0.000 1.078 158 N HN 0.272 nan 8.380 nan 0.000 0.513 159 S N -0.199 115.495 115.700 -0.010 0.000 2.554 159 S HA 0.259 4.729 4.470 -0.000 0.000 0.227 159 S C 1.024 175.612 174.600 -0.019 0.000 1.050 159 S CA 0.078 58.268 58.200 -0.017 0.000 0.927 159 S CB 0.288 63.473 63.200 -0.025 0.000 0.859 159 S HN 0.255 nan 8.310 nan 0.000 0.494 160 N N 0.868 119.558 118.700 -0.017 0.000 2.607 160 N HA 0.261 5.001 4.740 -0.000 0.000 0.207 160 N C 1.344 176.848 175.510 -0.009 0.000 1.040 160 N CA 0.339 53.379 53.050 -0.016 0.000 0.947 160 N CB 0.032 38.508 38.487 -0.018 0.000 1.293 160 N HN 0.114 nan 8.380 nan 0.000 0.446 161 I N 2.333 122.900 120.570 -0.004 0.000 2.248 161 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 161 I C -0.840 175.275 176.117 -0.003 0.000 1.107 161 I CA 1.604 62.903 61.300 -0.002 0.000 1.373 161 I CB -1.926 36.075 38.000 0.002 0.000 1.055 161 I HN 0.159 nan 8.210 nan 0.000 0.418 162 P HA -0.038 nan 4.420 nan 0.000 0.224 162 P C 1.515 178.811 177.300 -0.007 0.000 1.157 162 P CA 1.304 64.401 63.100 -0.005 0.000 0.799 162 P CB -0.304 31.394 31.700 -0.005 0.000 0.809 163 T N -4.360 110.189 114.554 -0.008 0.000 3.055 163 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 163 T C 1.783 176.478 174.700 -0.009 0.000 1.111 163 T CA 0.563 62.657 62.100 -0.010 0.000 1.118 163 T CB -0.833 68.028 68.868 -0.013 0.000 0.909 163 T HN 0.078 nan 8.240 nan 0.000 0.501 164 N N 1.202 119.897 118.700 -0.008 0.000 2.182 164 N HA 0.083 4.823 4.740 -0.000 0.000 0.186 164 N C 1.501 177.007 175.510 -0.006 0.000 1.036 164 N CA 0.662 53.708 53.050 -0.007 0.000 0.850 164 N CB -0.054 38.431 38.487 -0.005 0.000 1.010 164 N HN 0.336 nan 8.380 nan 0.000 0.432 165 L N 1.486 122.707 121.223 -0.005 0.000 2.737 165 L HA 0.051 4.391 4.340 -0.000 0.000 0.246 165 L C 2.252 179.119 176.870 -0.006 0.000 1.153 165 L CA 0.088 54.925 54.840 -0.005 0.000 0.920 165 L CB -0.230 41.827 42.059 -0.003 0.000 1.090 165 L HN 0.271 nan 8.230 nan 0.000 0.430 166 R N -0.096 120.400 120.500 -0.007 0.000 2.072 166 R HA -0.036 4.304 4.340 -0.000 0.000 0.214 166 R C 2.118 178.413 176.300 -0.009 0.000 1.168 166 R CA 0.887 56.983 56.100 -0.008 0.000 1.020 166 R CB -0.203 30.092 30.300 -0.008 0.000 0.914 166 R HN 0.196 nan 8.270 nan 0.000 0.449 167 V N 1.578 121.487 119.914 -0.009 0.000 2.358 167 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 167 V C 2.186 178.274 176.094 -0.010 0.000 1.047 167 V CA 1.506 63.800 62.300 -0.010 0.000 1.035 167 V CB -0.266 31.550 31.823 -0.011 0.000 0.658 167 V HN 0.324 nan 8.190 nan 0.000 0.452 168 L N -0.016 121.202 121.223 -0.008 0.000 2.291 168 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 168 L C 2.458 179.323 176.870 -0.008 0.000 1.120 168 L CA 1.898 56.734 54.840 -0.008 0.000 0.799 168 L CB -0.551 41.504 42.059 -0.006 0.000 0.925 168 L HN 0.274 nan 8.230 nan 0.000 0.446 169 R N -1.621 118.874 120.500 -0.008 0.000 2.052 169 R HA -0.109 4.231 4.340 -0.000 0.000 0.224 169 R C 2.504 178.798 176.300 -0.010 0.000 1.149 169 R CA 1.180 57.275 56.100 -0.008 0.000 0.962 169 R CB -0.516 29.779 30.300 -0.007 0.000 0.856 169 R HN 0.325 nan 8.270 nan 0.000 0.433 170 S N 0.503 116.197 115.700 -0.010 0.000 2.409 170 S HA -0.248 4.222 4.470 -0.000 0.000 0.237 170 S C 1.857 176.449 174.600 -0.013 0.000 1.060 170 S CA 1.836 60.030 58.200 -0.011 0.000 1.052 170 S CB -0.355 62.838 63.200 -0.012 0.000 0.871 170 S HN 0.453 nan 8.310 nan 0.000 0.465 171 I N -0.083 120.480 120.570 -0.013 0.000 2.193 171 I HA -0.038 4.132 4.170 -0.000 0.000 0.240 171 I C 2.246 178.354 176.117 -0.015 0.000 1.084 171 I CA 1.295 62.586 61.300 -0.015 0.000 1.365 171 I CB -0.124 37.867 38.000 -0.015 0.000 1.064 171 I HN 0.363 nan 8.210 nan 0.000 0.410 172 L N 0.312 121.527 121.223 -0.013 0.000 2.465 172 L HA -0.134 4.206 4.340 -0.000 0.000 0.224 172 L C 1.977 178.839 176.870 -0.012 0.000 1.145 172 L CA 1.224 56.056 54.840 -0.012 0.000 0.834 172 L CB -0.127 41.925 42.059 -0.010 0.000 0.944 172 L HN 0.262 nan 8.230 nan 0.000 0.451 173 E N -1.173 119.020 120.200 -0.012 0.000 2.431 173 E HA -0.115 4.235 4.350 -0.000 0.000 0.200 173 E C 1.816 178.408 176.600 -0.013 0.000 0.995 173 E CA 0.097 56.489 56.400 -0.012 0.000 0.915 173 E CB 0.117 29.811 29.700 -0.010 0.000 0.930 173 E HN 0.411 nan 8.360 nan 0.000 0.496 174 N N 1.108 119.799 118.700 -0.015 0.000 2.188 174 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 174 N C 1.754 177.253 175.510 -0.018 0.000 1.018 174 N CA 0.983 54.023 53.050 -0.017 0.000 0.858 174 N CB -0.103 38.373 38.487 -0.018 0.000 0.989 174 N HN 0.234 nan 8.380 nan 0.000 0.426 175 L N 0.747 121.959 121.223 -0.019 0.000 1.976 175 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 175 L C 2.856 179.715 176.870 -0.018 0.000 1.071 175 L CA 1.245 56.073 54.840 -0.020 0.000 0.746 175 L CB -0.721 41.326 42.059 -0.020 0.000 0.890 175 L HN 0.246 nan 8.230 nan 0.000 0.432 176 R N 0.309 120.799 120.500 -0.016 0.000 2.154 176 R HA -0.199 4.141 4.340 -0.000 0.000 0.248 176 R C 2.494 178.785 176.300 -0.015 0.000 1.155 176 R CA 1.902 57.993 56.100 -0.015 0.000 0.979 176 R CB -0.071 30.222 30.300 -0.013 0.000 0.869 176 R HN 0.520 nan 8.270 nan 0.000 0.452 177 S N -0.518 115.173 115.700 -0.015 0.000 2.446 177 S HA 0.031 4.501 4.470 -0.000 0.000 0.225 177 S C 1.619 176.209 174.600 -0.017 0.000 1.016 177 S CA 0.106 58.297 58.200 -0.015 0.000 0.943 177 S CB 0.168 63.359 63.200 -0.015 0.000 0.786 177 S HN 0.117 nan 8.310 nan 0.000 0.508 178 K N 1.881 122.270 120.400 -0.019 0.000 1.984 178 K HA 0.208 4.528 4.320 -0.000 0.000 0.209 178 K C 2.001 178.589 176.600 -0.021 0.000 1.046 178 K CA 1.125 57.399 56.287 -0.021 0.000 0.934 178 K CB -1.072 31.413 32.500 -0.024 0.000 0.717 178 K HN 0.399 nan 8.250 nan 0.000 0.438 179 I N 1.743 122.301 120.570 -0.020 0.000 2.300 179 I HA -0.377 3.793 4.170 -0.000 0.000 0.252 179 I C 2.755 178.861 176.117 -0.019 0.000 1.119 179 I CA 1.329 62.617 61.300 -0.020 0.000 1.384 179 I CB -0.065 37.924 38.000 -0.018 0.000 1.062 179 I HN 0.368 nan 8.210 nan 0.000 0.426 180 Q N 1.166 120.955 119.800 -0.018 0.000 1.967 180 Q HA -0.320 4.020 4.340 -0.000 0.000 0.202 180 Q C 2.277 178.266 176.000 -0.019 0.000 0.985 180 Q CA 2.316 58.109 55.803 -0.017 0.000 0.839 180 Q CB -0.216 28.512 28.738 -0.016 0.000 0.906 180 Q HN 0.419 nan 8.270 nan 0.000 0.423 181 K N -0.245 120.144 120.400 -0.018 0.000 2.044 181 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 181 K C 2.138 178.726 176.600 -0.020 0.000 1.049 181 K CA 1.514 57.790 56.287 -0.019 0.000 0.927 181 K CB -0.115 32.374 32.500 -0.019 0.000 0.713 181 K HN 0.154 nan 8.250 nan 0.000 0.443 182 L N 1.509 122.720 121.223 -0.021 0.000 1.976 182 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 182 L C 2.397 179.253 176.870 -0.023 0.000 1.071 182 L CA 1.897 56.724 54.840 -0.022 0.000 0.746 182 L CB -0.908 41.139 42.059 -0.021 0.000 0.890 182 L HN 0.278 nan 8.230 nan 0.000 0.432 183 E N -0.546 119.641 120.200 -0.023 0.000 2.187 183 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 183 E C 2.260 178.843 176.600 -0.030 0.000 1.004 183 E CA 1.481 57.865 56.400 -0.025 0.000 0.813 183 E CB -0.007 29.680 29.700 -0.022 0.000 0.736 183 E HN 0.596 nan 8.360 nan 0.000 0.468 184 S N 0.196 115.879 115.700 -0.028 0.000 2.371 184 S HA -0.144 4.325 4.470 -0.000 0.000 0.224 184 S C 1.463 176.039 174.600 -0.039 0.000 1.029 184 S CA 1.333 59.514 58.200 -0.031 0.000 0.978 184 S CB -0.133 63.053 63.200 -0.023 0.000 0.833 184 S HN 0.170 nan 8.310 nan 0.000 0.466 185 D N 1.223 121.605 120.400 -0.031 0.000 2.149 185 D HA 0.026 4.666 4.640 -0.000 0.000 0.201 185 D C 2.045 178.317 176.300 -0.047 0.000 0.972 185 D CA 0.749 54.731 54.000 -0.029 0.000 0.835 185 D CB -0.706 40.085 40.800 -0.014 0.000 0.966 185 D HN 0.291 nan 8.370 nan 0.000 0.476 186 V N 0.267 120.155 119.914 -0.043 0.000 2.332 186 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 186 V C 2.118 178.166 176.094 -0.077 0.000 1.055 186 V CA 1.879 64.151 62.300 -0.047 0.000 1.038 186 V CB -0.322 31.480 31.823 -0.034 0.000 0.651 186 V HN 0.147 nan 8.190 nan 0.000 0.450 187 S N -0.442 115.209 115.700 -0.082 0.000 2.474 187 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 187 S C 2.015 176.504 174.600 -0.185 0.000 0.997 187 S CA 1.042 59.178 58.200 -0.106 0.000 0.949 187 S CB -0.284 62.868 63.200 -0.080 0.000 0.766 187 S HN 0.738 nan 8.310 nan 0.000 0.517 188 A N 0.871 123.563 122.820 -0.214 0.000 1.898 188 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 188 A C 2.121 179.275 177.584 -0.716 0.000 1.181 188 A CA 1.482 53.267 52.037 -0.420 0.000 0.620 188 A CB -0.533 18.338 19.000 -0.215 0.000 0.819 188 A HN 0.397 nan 8.150 nan 0.000 0.442 189 Q N -0.906 118.699 119.800 -0.325 0.000 2.096 189 Q HA 0.028 4.368 4.340 -0.000 0.000 0.197 189 Q C 2.097 178.008 176.000 -0.149 0.000 0.964 189 Q CA 1.286 56.983 55.803 -0.175 0.000 0.838 189 Q CB -0.328 28.402 28.738 -0.013 0.000 0.906 189 Q HN 0.597 nan 8.270 nan 0.000 0.444 190 M N 0.016 119.536 119.600 -0.132 0.000 2.116 190 M HA -0.268 4.212 4.480 -0.000 0.000 0.255 190 M C 1.913 178.150 176.300 -0.105 0.000 1.075 190 M CA 1.912 57.157 55.300 -0.090 0.000 1.087 190 M CB -0.596 31.956 32.600 -0.081 0.000 1.340 190 M HN 0.242 nan 8.290 nan 0.000 0.402 191 E N 0.082 120.157 120.200 -0.209 0.000 2.015 191 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 191 E C 1.554 178.113 176.600 -0.069 0.000 0.991 191 E CA 1.465 57.753 56.400 -0.186 0.000 0.802 191 E CB -0.230 29.289 29.700 -0.300 0.000 0.759 191 E HN 0.484 nan 8.360 nan 0.000 0.447 192 Y N -0.909 119.391 120.300 0.000 0.000 2.716 192 Y HA -0.055 4.495 4.550 -0.000 0.000 0.302 192 Y C 1.590 177.492 175.900 0.004 0.000 1.160 192 Y CA -0.032 58.069 58.100 0.002 0.000 1.362 192 Y CB -0.657 37.804 38.460 0.001 0.000 0.988 192 Y HN 0.167 nan 8.280 nan 0.000 0.546 193 C N -1.070 118.291 119.300 0.102 0.000 3.000 193 C HA 0.199 4.659 4.460 -0.000 0.000 0.286 193 C C 2.233 177.247 174.990 0.040 0.000 1.343 193 C CA -0.463 58.594 59.018 0.066 0.000 1.742 193 C CB -0.899 26.866 27.740 0.042 0.000 2.200 193 C HN 0.471 nan 8.230 nan 0.000 0.621 194 R N 1.267 121.791 120.500 0.040 0.000 2.090 194 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 194 R C 0.983 177.306 176.300 0.038 0.000 1.110 194 R CA 1.261 57.379 56.100 0.031 0.000 0.973 194 R CB -0.219 30.097 30.300 0.026 0.000 0.869 194 R HN 0.578 nan 8.270 nan 0.000 0.440 195 T N 1.028 115.614 114.554 0.054 0.000 2.781 195 T HA 0.382 4.732 4.350 -0.000 0.000 0.305 195 T C -2.180 172.547 174.700 0.045 0.000 1.001 195 T CA -1.874 60.255 62.100 0.047 0.000 0.950 195 T CB 1.518 70.418 68.868 0.052 0.000 0.955 195 T HN -0.053 nan 8.240 nan 0.000 0.471 196 P HA 0.342 nan 4.420 nan 0.000 0.276 196 P C 0.490 177.805 177.300 0.025 0.000 1.244 196 P CA -0.692 62.426 63.100 0.031 0.000 0.801 196 P CB 0.532 32.247 31.700 0.024 0.000 1.006 197 C N 0.099 119.414 119.300 0.024 0.000 2.649 197 C HA 0.768 5.228 4.460 -0.000 0.000 0.377 197 C C 0.573 175.572 174.990 0.014 0.000 1.321 197 C CA -0.096 58.933 59.018 0.017 0.000 2.368 197 C CB -0.275 27.477 27.740 0.019 0.000 2.597 197 C HN 0.780 nan 8.230 nan 0.000 0.678 198 T N -0.252 114.307 114.554 0.009 0.000 2.903 198 T HA 0.720 5.070 4.350 -0.000 0.000 0.299 198 T C -0.427 174.275 174.700 0.003 0.000 1.093 198 T CA -0.353 61.751 62.100 0.007 0.000 1.002 198 T CB 1.011 69.882 68.868 0.005 0.000 1.127 198 T HN 1.723 nan 8.240 nan 0.000 0.488 199 V N -0.845 119.070 119.914 0.002 0.000 3.166 199 V HA 0.960 5.080 4.120 -0.000 0.000 0.317 199 V C -0.220 175.873 176.094 -0.002 0.000 1.136 199 V CA -1.115 61.184 62.300 -0.002 0.000 1.035 199 V CB 1.816 33.639 31.823 -0.001 0.000 1.110 199 V HN 1.050 nan 8.190 nan 0.000 0.450 200 S N -0.205 115.493 115.700 -0.004 0.000 2.423 200 S HA 0.308 4.778 4.470 -0.000 0.000 0.213 200 S C -0.775 173.826 174.600 0.003 0.000 1.131 200 S CA -0.355 57.845 58.200 0.000 0.000 1.155 200 S CB 0.756 63.957 63.200 0.002 0.000 1.202 200 S HN 0.844 nan 8.310 nan 0.000 0.441 201 c N 3.987 122.589 118.600 0.003 0.000 2.125 201 c HA 0.354 4.924 4.570 -0.000 0.000 0.355 201 c C 0.618 174.716 174.090 0.014 0.000 1.047 201 c CA -1.459 54.874 56.329 0.007 0.000 1.501 201 c CB -1.668 40.840 42.510 -0.003 0.000 1.783 201 c HN 0.667 nan 8.230 nan 0.000 0.455 202 N N 2.460 121.178 118.700 0.029 0.000 2.454 202 N HA 0.182 4.922 4.740 -0.000 0.000 0.260 202 N C -0.226 175.295 175.510 0.017 0.000 1.218 202 N CA 0.387 53.453 53.050 0.025 0.000 0.904 202 N CB 0.733 39.242 38.487 0.037 0.000 1.065 202 N HN 0.549 nan 8.380 nan 0.000 0.462 203 I N 3.438 124.010 120.570 0.002 0.000 2.396 203 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 203 I C -1.740 174.371 176.117 -0.010 0.000 0.999 203 I CA -1.767 59.529 61.300 -0.007 0.000 1.310 203 I CB 0.773 38.771 38.000 -0.002 0.000 1.404 203 I HN 0.284 nan 8.210 nan 0.000 0.496 204 P HA 0.141 nan 4.420 nan 0.000 0.279 204 P C 0.779 178.106 177.300 0.045 0.000 1.239 204 P CA -0.460 62.645 63.100 0.007 0.000 0.789 204 P CB 0.987 32.700 31.700 0.022 0.000 0.933 205 V N 2.584 122.511 119.914 0.023 0.000 2.255 205 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 205 V C 1.555 177.656 176.094 0.011 0.000 1.051 205 V CA 1.302 63.607 62.300 0.009 0.000 1.018 205 V CB -0.536 31.284 31.823 -0.005 0.000 0.641 205 V HN 0.479 nan 8.190 nan 0.000 0.445 206 V N 0.403 120.328 119.914 0.018 0.000 2.928 206 V HA 0.275 4.395 4.120 -0.000 0.000 0.307 206 V C 0.183 176.258 176.094 -0.033 0.000 1.105 206 V CA 1.359 63.646 62.300 -0.020 0.000 1.223 206 V CB 1.163 32.958 31.823 -0.047 0.000 0.930 206 V HN 0.581 nan 8.190 nan 0.000 0.499 207 S N 2.960 118.616 115.700 -0.074 0.000 2.636 207 S HA 0.905 5.375 4.470 -0.000 0.000 0.268 207 S C -0.498 174.040 174.600 -0.105 0.000 1.159 207 S CA 0.110 58.257 58.200 -0.089 0.000 0.815 207 S CB 1.438 64.600 63.200 -0.064 0.000 1.130 207 S HN 1.876 nan 8.310 nan 0.000 0.471 208 G N 1.152 109.886 108.800 -0.111 0.000 2.428 208 G HA2 0.395 4.355 3.960 -0.000 0.000 0.304 208 G HA3 0.395 4.355 3.960 -0.000 0.000 0.304 208 G C -0.874 173.962 174.900 -0.107 0.000 1.303 208 G CA -0.449 44.590 45.100 -0.102 0.000 0.825 208 G HN 0.594 nan 8.290 nan 0.000 0.484 209 K N -0.077 120.271 120.400 -0.086 0.000 2.147 209 K HA 0.181 4.501 4.320 -0.000 0.000 0.205 209 K C 0.736 177.285 176.600 -0.085 0.000 1.049 209 K CA 2.067 58.306 56.287 -0.080 0.000 0.936 209 K CB -0.012 32.460 32.500 -0.047 0.000 0.722 209 K HN 0.710 nan 8.250 nan 0.000 0.446 210 E N -3.329 116.824 120.200 -0.079 0.000 2.442 210 E HA 0.205 4.555 4.350 -0.000 0.000 0.278 210 E C 0.041 176.592 176.600 -0.081 0.000 1.082 210 E CA -0.662 55.701 56.400 -0.061 0.000 0.861 210 E CB -0.107 29.574 29.700 -0.030 0.000 1.462 210 E HN -0.130 nan 8.360 nan 0.000 0.458 211 c N -0.139 118.427 118.600 -0.058 0.000 2.422 211 c HA -0.073 4.497 4.570 -0.000 0.000 0.279 211 c C 2.218 176.223 174.090 -0.142 0.000 1.305 211 c CA 1.430 57.704 56.329 -0.092 0.000 1.757 211 c CB -1.046 41.464 42.510 -0.001 0.000 1.962 211 c HN 0.908 nan 8.230 nan 0.000 0.499 212 E N 1.652 121.769 120.200 -0.138 0.000 2.028 212 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 212 E C 2.109 178.634 176.600 -0.126 0.000 0.984 212 E CA 1.379 57.685 56.400 -0.158 0.000 0.800 212 E CB -0.578 29.012 29.700 -0.184 0.000 0.758 212 E HN 0.430 nan 8.360 nan 0.000 0.448 213 E N 0.459 120.598 120.200 -0.100 0.000 2.147 213 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 213 E C 2.132 178.659 176.600 -0.121 0.000 1.005 213 E CA 1.528 57.875 56.400 -0.087 0.000 0.810 213 E CB -0.231 29.427 29.700 -0.070 0.000 0.736 213 E HN 0.473 nan 8.360 nan 0.000 0.460 214 I N 0.093 120.563 120.570 -0.167 0.000 2.202 214 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 214 I C 2.614 178.579 176.117 -0.254 0.000 1.091 214 I CA 0.526 61.678 61.300 -0.248 0.000 1.368 214 I CB -0.204 37.565 38.000 -0.386 0.000 1.058 214 I HN 0.107 nan 8.210 nan 0.000 0.410 215 I N 1.055 121.491 120.570 -0.223 0.000 2.264 215 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 215 I C 2.580 178.624 176.117 -0.121 0.000 1.111 215 I CA 1.677 62.876 61.300 -0.168 0.000 1.382 215 I CB -0.308 37.615 38.000 -0.129 0.000 1.060 215 I HN 0.066 nan 8.210 nan 0.000 0.418 216 R N 0.172 120.605 120.500 -0.110 0.000 2.120 216 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 216 R C 1.666 177.922 176.300 -0.074 0.000 1.123 216 R CA 1.278 57.331 56.100 -0.079 0.000 0.975 216 R CB -0.214 30.047 30.300 -0.065 0.000 0.866 216 R HN 0.335 nan 8.270 nan 0.000 0.446 217 K N -0.571 119.772 120.400 -0.094 0.000 2.458 217 K HA 0.106 4.426 4.320 -0.000 0.000 0.194 217 K C 0.487 177.039 176.600 -0.080 0.000 1.024 217 K CA 0.487 56.724 56.287 -0.084 0.000 1.108 217 K CB 0.842 33.285 32.500 -0.094 0.000 0.846 217 K HN 0.340 nan 8.250 nan 0.000 0.518 218 G N 0.984 109.735 108.800 -0.081 0.000 2.142 218 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.225 218 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.225 218 G C 0.122 174.984 174.900 -0.063 0.000 1.015 218 G CA -0.357 44.707 45.100 -0.060 0.000 0.716 218 G HN 0.418 nan 8.290 nan 0.000 0.508 219 G N -0.412 108.318 108.800 -0.117 0.000 2.327 219 G HA2 0.589 4.549 3.960 -0.000 0.000 0.302 219 G HA3 0.589 4.549 3.960 -0.000 0.000 0.302 219 G C 0.653 175.534 174.900 -0.032 0.000 1.113 219 G CA 0.159 45.190 45.100 -0.114 0.000 0.921 219 G HN 0.223 nan 8.290 nan 0.000 0.425 220 E N 1.516 121.757 120.200 0.069 0.000 2.094 220 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 220 E C 1.607 178.289 176.600 0.136 0.000 0.950 220 E CA 0.682 57.125 56.400 0.073 0.000 0.842 220 E CB -0.811 28.919 29.700 0.050 0.000 0.816 220 E HN 0.552 nan 8.360 nan 0.000 0.465 221 T N 1.027 115.675 114.554 0.157 0.000 2.799 221 T HA 0.264 4.614 4.350 -0.000 0.000 0.296 221 T C 0.397 175.193 174.700 0.161 0.000 0.947 221 T CA -0.406 61.778 62.100 0.139 0.000 1.141 221 T CB 0.599 69.525 68.868 0.096 0.000 0.891 221 T HN -0.194 nan 8.240 nan 0.000 0.533 222 S N 3.717 119.509 115.700 0.154 0.000 2.560 222 S HA 0.397 4.867 4.470 -0.000 0.000 0.284 222 S C 0.401 174.910 174.600 -0.152 0.000 1.327 222 S CA -0.383 57.883 58.200 0.112 0.000 1.055 222 S CB 0.013 63.382 63.200 0.282 0.000 0.868 222 S HN 1.028 nan 8.310 nan 0.000 0.506 223 E N 1.226 120.963 120.200 -0.771 0.000 2.209 223 E HA 0.144 4.494 4.350 -0.000 0.000 0.255 223 E C -1.155 174.799 176.600 -1.076 0.000 1.417 223 E CA -0.942 54.928 56.400 -0.884 0.000 0.922 223 E CB 0.218 29.629 29.700 -0.481 0.000 1.520 223 E HN 0.356 nan 8.360 nan 0.000 0.464 224 M N 2.860 122.140 119.600 -0.534 0.000 2.821 224 M HA 0.243 4.723 4.480 -0.000 0.000 0.305 224 M C -1.610 174.505 176.300 -0.309 0.000 1.466 224 M CA 0.264 55.393 55.300 -0.284 0.000 1.526 224 M CB -1.480 31.062 32.600 -0.098 0.000 1.321 224 M HN 0.499 nan 8.290 nan 0.000 0.492 225 Y N 2.703 122.916 120.300 -0.144 0.000 2.436 225 Y HA 0.573 5.123 4.550 -0.000 0.000 0.336 225 Y C -0.054 175.803 175.900 -0.072 0.000 1.318 225 Y CA -0.747 57.295 58.100 -0.097 0.000 1.493 225 Y CB 0.635 39.034 38.460 -0.102 0.000 1.547 225 Y HN 0.479 nan 8.280 nan 0.000 0.549 226 L N 2.460 123.767 121.223 0.140 0.000 2.431 226 L HA 0.632 4.972 4.340 -0.000 0.000 0.266 226 L C -0.944 175.887 176.870 -0.066 0.000 0.978 226 L CA -1.132 53.713 54.840 0.008 0.000 0.822 226 L CB 1.441 43.500 42.059 -0.001 0.000 1.310 226 L HN 0.582 nan 8.230 nan 0.000 0.409 227 I N 0.902 121.360 120.570 -0.187 0.000 3.095 227 I HA 0.648 4.818 4.170 -0.000 0.000 0.310 227 I C -1.594 174.281 176.117 -0.404 0.000 1.196 227 I CA -0.708 60.443 61.300 -0.248 0.000 0.985 227 I CB 2.504 40.373 38.000 -0.219 0.000 1.250 227 I HN 0.763 nan 8.210 nan 0.000 0.446 228 Q N 3.467 123.088 119.800 -0.298 0.000 2.374 228 Q HA 0.424 4.764 4.340 -0.000 0.000 0.250 228 Q C -2.543 173.353 176.000 -0.173 0.000 0.918 228 Q CA -1.477 54.158 55.803 -0.281 0.000 0.778 228 Q CB 3.051 31.683 28.738 -0.176 0.000 1.328 228 Q HN 0.488 nan 8.270 nan 0.000 0.445 229 P HA -0.004 nan 4.420 nan 0.000 0.214 229 P C -0.255 177.025 177.300 -0.035 0.000 1.162 229 P CA 0.759 63.824 63.100 -0.058 0.000 0.871 229 P CB 0.381 32.078 31.700 -0.005 0.000 0.783 230 D N -1.406 118.981 120.400 -0.021 0.000 2.505 230 D HA 0.121 4.761 4.640 -0.000 0.000 0.249 230 D C 0.989 177.280 176.300 -0.014 0.000 1.082 230 D CA -0.285 53.709 54.000 -0.009 0.000 0.839 230 D CB 1.589 42.396 40.800 0.010 0.000 1.317 230 D HN -0.135 nan 8.370 nan 0.000 0.497 231 S N 1.503 117.194 115.700 -0.015 0.000 2.465 231 S HA -0.108 4.362 4.470 -0.000 0.000 0.241 231 S C 0.908 175.506 174.600 -0.004 0.000 1.000 231 S CA 0.436 58.627 58.200 -0.015 0.000 0.964 231 S CB -0.069 63.123 63.200 -0.014 0.000 0.763 231 S HN 0.233 nan 8.310 nan 0.000 0.512 232 S N 1.542 117.244 115.700 0.004 0.000 4.087 232 S HA 0.589 5.059 4.470 -0.000 0.000 0.213 232 S C -0.563 174.050 174.600 0.022 0.000 1.415 232 S CA -0.118 58.090 58.200 0.013 0.000 0.893 232 S CB -0.113 63.097 63.200 0.016 0.000 1.529 232 S HN 0.696 nan 8.310 nan 0.000 0.457 233 V N 3.503 123.429 119.914 0.021 0.000 2.715 233 V HA 0.132 4.252 4.120 -0.000 0.000 0.243 233 V C -1.294 174.816 176.094 0.027 0.000 1.832 233 V CA -1.158 61.165 62.300 0.039 0.000 0.819 233 V CB 1.052 32.916 31.823 0.068 0.000 1.319 233 V HN 0.677 nan 8.190 nan 0.000 0.495 234 K N 6.492 126.915 120.400 0.037 0.000 2.451 234 K HA 0.439 4.759 4.320 -0.000 0.000 0.280 234 K C -2.560 174.056 176.600 0.026 0.000 1.020 234 K CA -1.010 55.292 56.287 0.025 0.000 1.008 234 K CB 0.348 32.867 32.500 0.032 0.000 0.917 234 K HN 0.480 nan 8.250 nan 0.000 0.478 235 P HA 0.010 nan 4.420 nan 0.000 0.270 235 P C -1.245 176.015 177.300 -0.067 0.000 1.223 235 P CA 0.009 63.014 63.100 -0.159 0.000 0.785 235 P CB 0.086 31.695 31.700 -0.152 0.000 0.923 236 Y N -2.417 117.865 120.300 -0.031 0.000 2.581 236 Y HA 0.661 5.211 4.550 -0.000 0.000 0.345 236 Y C -0.017 175.855 175.900 -0.046 0.000 1.036 236 Y CA -1.699 56.375 58.100 -0.043 0.000 1.042 236 Y CB 1.189 39.615 38.460 -0.057 0.000 1.289 236 Y HN 0.095 nan 8.280 nan 0.000 0.471 237 R N 1.374 121.985 120.500 0.184 0.000 2.543 237 R HA 0.646 4.986 4.340 -0.000 0.000 0.277 237 R C -1.300 175.070 176.300 0.118 0.000 1.074 237 R CA -0.639 55.512 56.100 0.085 0.000 1.076 237 R CB 1.399 31.702 30.300 0.005 0.000 0.993 237 R HN 0.611 nan 8.270 nan 0.000 0.459 238 V N 2.739 122.701 119.914 0.081 0.000 3.077 238 V HA 0.161 4.281 4.120 -0.000 0.000 0.299 238 V C -1.720 174.455 176.094 0.135 0.000 1.276 238 V CA -0.858 61.505 62.300 0.105 0.000 0.993 238 V CB 2.178 34.135 31.823 0.222 0.000 1.076 238 V HN 0.663 nan 8.190 nan 0.000 0.434 239 Y N 3.815 124.186 120.300 0.119 0.000 2.313 239 Y HA 0.550 5.100 4.550 -0.000 0.000 0.332 239 Y C 0.032 176.067 175.900 0.225 0.000 1.071 239 Y CA -0.276 57.926 58.100 0.171 0.000 1.169 239 Y CB 1.138 39.731 38.460 0.221 0.000 1.192 239 Y HN 0.668 nan 8.280 nan 0.000 0.487 240 c N 6.188 124.821 118.600 0.054 0.000 2.293 240 c HA 0.214 4.784 4.570 -0.000 0.000 0.323 240 c C -0.455 173.828 174.090 0.322 0.000 1.240 240 c CA -1.167 55.315 56.329 0.255 0.000 1.497 240 c CB -0.280 42.374 42.510 0.240 0.000 2.171 240 c HN 0.753 nan 8.230 nan 0.000 0.465 241 D N 3.615 124.291 120.400 0.460 0.000 2.343 241 D HA 0.224 4.864 4.640 -0.000 0.000 0.255 241 D C 0.335 176.842 176.300 0.344 0.000 1.187 241 D CA 0.035 54.287 54.000 0.420 0.000 0.875 241 D CB 0.683 41.687 40.800 0.341 0.000 1.136 241 D HN 0.384 nan 8.370 nan 0.000 0.469 242 M N 3.359 123.117 119.600 0.265 0.000 2.692 242 M HA 0.199 4.679 4.480 -0.000 0.000 0.372 242 M C -0.013 176.386 176.300 0.165 0.000 1.192 242 M CA -0.099 55.310 55.300 0.182 0.000 0.928 242 M CB -0.535 32.153 32.600 0.146 0.000 1.366 242 M HN 0.357 nan 8.290 nan 0.000 0.517 243 N N -0.197 118.623 118.700 0.199 0.000 2.428 243 N HA 0.036 4.776 4.740 -0.000 0.000 0.249 243 N C 0.406 175.998 175.510 0.137 0.000 1.092 243 N CA 0.225 53.361 53.050 0.144 0.000 0.833 243 N CB 0.867 39.428 38.487 0.124 0.000 1.575 243 N HN 0.266 nan 8.380 nan 0.000 0.476 244 T N 0.319 114.964 114.554 0.152 0.000 2.869 244 T HA 0.183 4.533 4.350 -0.000 0.000 0.295 244 T C -0.200 174.641 174.700 0.236 0.000 0.987 244 T CA -0.313 61.843 62.100 0.094 0.000 1.109 244 T CB 0.991 69.824 68.868 -0.059 0.000 0.932 244 T HN 0.093 nan 8.240 nan 0.000 0.518 245 E N 2.468 122.775 120.200 0.178 0.000 2.160 245 E HA -0.250 4.100 4.350 -0.000 0.000 0.180 245 E C 0.138 176.932 176.600 0.324 0.000 1.452 245 E CA 0.783 57.344 56.400 0.268 0.000 0.683 245 E CB -1.833 28.064 29.700 0.330 0.000 1.072 245 E HN 0.908 nan 8.360 nan 0.000 0.332 246 N N -1.995 116.813 118.700 0.180 0.000 2.753 246 N HA -0.258 4.482 4.740 -0.000 0.000 0.251 246 N C 0.793 176.336 175.510 0.056 0.000 1.097 246 N CA 2.132 55.241 53.050 0.098 0.000 0.786 246 N CB -1.637 36.885 38.487 0.059 0.000 1.137 246 N HN 0.988 nan 8.380 nan 0.000 0.566 247 G N -1.192 107.700 108.800 0.153 0.000 2.692 247 G HA2 0.235 4.195 3.960 -0.000 0.000 0.248 247 G HA3 0.235 4.195 3.960 -0.000 0.000 0.248 247 G C 0.977 175.734 174.900 -0.239 0.000 1.340 247 G CA 1.286 46.442 45.100 0.093 0.000 0.896 247 G HN 1.538 nan 8.290 nan 0.000 0.570 248 G N -2.737 105.953 108.800 -0.184 0.000 2.199 248 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 248 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 248 G C 0.548 175.279 174.900 -0.281 0.000 0.982 248 G CA 0.976 45.894 45.100 -0.302 0.000 0.632 248 G HN 1.466 nan 8.290 nan 0.000 0.529 249 W N 1.252 122.573 121.300 0.034 0.000 2.266 249 W HA 0.551 5.211 4.660 -0.000 0.000 0.317 249 W C 0.416 176.988 176.519 0.087 0.000 1.310 249 W CA 0.038 57.412 57.345 0.048 0.000 1.207 249 W CB 0.975 30.461 29.460 0.043 0.000 1.199 249 W HN -0.004 nan 8.180 nan 0.000 0.544 250 T N 3.549 118.317 114.554 0.358 0.000 2.821 250 T HA 0.243 4.593 4.350 -0.000 0.000 0.307 250 T C -0.212 174.655 174.700 0.278 0.000 1.034 250 T CA -0.658 61.604 62.100 0.269 0.000 0.953 250 T CB 0.343 69.319 68.868 0.179 0.000 0.968 250 T HN 0.052 nan 8.240 nan 0.000 0.462 251 V N 5.702 125.797 119.914 0.301 0.000 2.485 251 V HA 0.064 4.184 4.120 -0.000 0.000 0.287 251 V C 1.119 177.318 176.094 0.175 0.000 1.022 251 V CA 0.211 62.639 62.300 0.214 0.000 1.067 251 V CB -0.010 31.951 31.823 0.230 0.000 0.967 251 V HN 0.779 nan 8.190 nan 0.000 0.479 252 I N 2.154 122.745 120.570 0.036 0.000 2.927 252 I HA 0.186 4.356 4.170 -0.000 0.000 0.268 252 I C 0.859 176.814 176.117 -0.269 0.000 1.153 252 I CA 0.882 62.127 61.300 -0.091 0.000 1.459 252 I CB -0.104 37.831 38.000 -0.107 0.000 1.149 252 I HN 0.596 nan 8.210 nan 0.000 0.443 253 Q N 1.619 121.305 119.800 -0.191 0.000 2.359 253 Q HA 0.457 4.797 4.340 -0.000 0.000 0.274 253 Q C -1.862 173.999 176.000 -0.232 0.000 1.074 253 Q CA -0.516 55.228 55.803 -0.098 0.000 0.810 253 Q CB 2.651 31.621 28.738 0.385 0.000 1.342 253 Q HN 0.249 nan 8.270 nan 0.000 0.427 254 N N 1.511 120.042 118.700 -0.282 0.000 2.452 254 N HA 0.417 5.157 4.740 -0.000 0.000 0.277 254 N C -1.811 173.582 175.510 -0.195 0.000 1.078 254 N CA -0.395 52.500 53.050 -0.259 0.000 0.947 254 N CB 1.254 39.532 38.487 -0.349 0.000 1.655 254 N HN 0.502 nan 8.380 nan 0.000 0.490 255 R N 1.888 122.250 120.500 -0.230 0.000 2.803 255 R HA 0.506 4.846 4.340 -0.000 0.000 0.276 255 R C -0.025 176.116 176.300 -0.264 0.000 0.978 255 R CA -0.549 55.383 56.100 -0.281 0.000 0.939 255 R CB 1.527 31.633 30.300 -0.324 0.000 1.179 255 R HN 0.895 nan 8.270 nan 0.000 0.472 256 Q N -1.083 118.492 119.800 -0.375 0.000 1.917 256 Q HA 0.083 4.423 4.340 -0.000 0.000 0.188 256 Q C -0.935 174.803 176.000 -0.436 0.000 0.674 256 Q CA 0.014 55.620 55.803 -0.328 0.000 0.789 256 Q CB 0.510 29.113 28.738 -0.225 0.000 1.231 256 Q HN 0.622 nan 8.270 nan 0.000 0.408 257 D N 0.147 120.211 120.400 -0.559 0.000 2.758 257 D HA 0.477 5.117 4.640 -0.000 0.000 0.279 257 D C 0.298 176.172 176.300 -0.710 0.000 1.111 257 D CA -0.352 53.377 54.000 -0.451 0.000 1.109 257 D CB 0.466 41.224 40.800 -0.070 0.000 1.428 257 D HN 0.078 nan 8.370 nan 0.000 0.586 258 G N -1.230 107.507 108.800 -0.104 0.000 3.562 258 G HA2 0.228 4.188 3.960 -0.000 0.000 0.279 258 G HA3 0.228 4.188 3.960 -0.000 0.000 0.279 258 G C 0.618 175.547 174.900 0.047 0.000 1.314 258 G CA 0.214 45.337 45.100 0.038 0.000 1.189 258 G HN 0.402 nan 8.290 nan 0.000 0.562 259 S N -1.269 114.422 115.700 -0.016 0.000 2.486 259 S HA 0.253 4.723 4.470 -0.000 0.000 0.220 259 S C 0.512 175.171 174.600 0.099 0.000 1.011 259 S CA -0.049 58.182 58.200 0.051 0.000 0.921 259 S CB 0.596 63.814 63.200 0.031 0.000 0.785 259 S HN -0.003 nan 8.310 nan 0.000 0.517 260 V N 2.389 122.398 119.914 0.158 0.000 2.656 260 V HA 0.428 4.548 4.120 -0.000 0.000 0.307 260 V C -1.066 175.224 176.094 0.328 0.000 1.051 260 V CA -0.995 61.449 62.300 0.239 0.000 0.893 260 V CB 1.831 33.848 31.823 0.323 0.000 0.999 260 V HN 0.212 nan 8.190 nan 0.000 0.426 261 D N 2.353 122.866 120.400 0.189 0.000 2.343 261 D HA 0.214 4.854 4.640 -0.000 0.000 0.255 261 D C -0.040 176.348 176.300 0.146 0.000 1.187 261 D CA 0.181 54.277 54.000 0.160 0.000 0.875 261 D CB 0.902 41.728 40.800 0.044 0.000 1.136 261 D HN 0.380 nan 8.370 nan 0.000 0.469 262 F N 1.220 121.211 119.950 0.069 0.000 2.653 262 F HA 0.294 4.821 4.527 -0.000 0.000 0.304 262 F C 1.605 177.495 175.800 0.149 0.000 1.092 262 F CA -0.377 57.708 58.000 0.142 0.000 1.279 262 F CB 0.887 40.020 39.000 0.222 0.000 1.044 262 F HN 0.396 nan 8.300 nan 0.000 0.564 263 G N 1.689 110.627 108.800 0.229 0.000 2.807 263 G HA2 0.509 4.469 3.960 -0.000 0.000 0.316 263 G HA3 0.509 4.469 3.960 -0.000 0.000 0.316 263 G C -0.003 175.081 174.900 0.308 0.000 0.900 263 G CA -0.308 44.985 45.100 0.322 0.000 1.499 263 G HN 0.118 nan 8.290 nan 0.000 0.484 264 R N 0.980 121.562 120.500 0.136 0.000 2.867 264 R HA 0.419 4.759 4.340 -0.000 0.000 0.268 264 R C -0.058 176.112 176.300 -0.217 0.000 1.014 264 R CA -0.968 55.035 56.100 -0.162 0.000 0.946 264 R CB 2.317 32.218 30.300 -0.665 0.000 1.208 264 R HN 0.294 nan 8.270 nan 0.000 0.477 265 K N 0.435 120.646 120.400 -0.315 0.000 2.143 265 K HA -0.025 4.295 4.320 -0.000 0.000 0.239 265 K C 0.851 177.525 176.600 0.123 0.000 1.048 265 K CA -0.262 55.884 56.287 -0.235 0.000 0.867 265 K CB 0.454 32.875 32.500 -0.132 0.000 1.088 265 K HN 0.506 nan 8.250 nan 0.000 0.510 266 W N 1.441 122.746 121.300 0.009 0.000 2.311 266 W HA -0.330 4.330 4.660 -0.000 0.000 0.326 266 W C 1.533 178.169 176.519 0.195 0.000 1.239 266 W CA 2.303 59.736 57.345 0.147 0.000 1.258 266 W CB -0.363 29.160 29.460 0.104 0.000 1.165 266 W HN 0.711 nan 8.180 nan 0.000 0.466 267 D N -0.620 119.955 120.400 0.291 0.000 2.092 267 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 267 D C -0.661 175.676 176.300 0.062 0.000 0.994 267 D CA 2.222 56.321 54.000 0.166 0.000 0.828 267 D CB -1.436 39.472 40.800 0.181 0.000 0.963 267 D HN -0.009 nan 8.370 nan 0.000 0.450 268 P HA -0.181 nan 4.420 nan 0.000 0.217 268 P C 1.015 178.387 177.300 0.120 0.000 1.158 268 P CA 1.312 64.410 63.100 -0.002 0.000 0.887 268 P CB -0.173 31.402 31.700 -0.208 0.000 0.792 269 Y N -0.277 120.081 120.300 0.097 0.000 2.293 269 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 269 Y C 2.541 178.422 175.900 -0.031 0.000 1.137 269 Y CA 1.449 59.651 58.100 0.170 0.000 1.202 269 Y CB -0.551 37.936 38.460 0.045 0.000 0.990 269 Y HN -0.100 nan 8.280 nan 0.000 0.537 270 K N -0.123 120.217 120.400 -0.101 0.000 2.002 270 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 270 K C 1.968 178.489 176.600 -0.132 0.000 1.048 270 K CA 1.690 57.838 56.287 -0.231 0.000 0.930 270 K CB -0.012 32.411 32.500 -0.127 0.000 0.714 270 K HN 0.219 nan 8.250 nan 0.000 0.438 271 Q N -0.129 119.649 119.800 -0.036 0.000 2.172 271 Q HA 0.058 4.398 4.340 -0.000 0.000 0.200 271 Q C 0.938 176.894 176.000 -0.074 0.000 0.964 271 Q CA 1.131 56.908 55.803 -0.043 0.000 0.855 271 Q CB -0.013 28.727 28.738 0.004 0.000 0.918 271 Q HN 0.541 nan 8.270 nan 0.000 0.444 272 G N 1.095 109.906 108.800 0.018 0.000 2.663 272 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.686 272 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.686 272 G C -0.667 174.278 174.900 0.076 0.000 1.288 272 G CA -0.387 44.686 45.100 -0.046 0.000 0.836 272 G HN 0.309 nan 8.290 nan 0.000 0.584 273 F N -2.170 117.747 119.950 -0.055 0.000 2.858 273 F HA 0.891 5.418 4.527 -0.000 0.000 0.319 273 F C 0.623 176.398 175.800 -0.041 0.000 1.166 273 F CA 0.026 57.962 58.000 -0.107 0.000 0.899 273 F CB 0.899 39.762 39.000 -0.228 0.000 1.332 273 F HN 2.533 nan 8.300 nan 0.000 0.461 274 G N 1.072 109.990 108.800 0.197 0.000 2.409 274 G HA2 0.101 4.061 3.960 -0.000 0.000 0.421 274 G HA3 0.101 4.061 3.960 -0.000 0.000 0.421 274 G C -2.283 172.689 174.900 0.120 0.000 1.259 274 G CA -0.891 44.316 45.100 0.179 0.000 1.011 274 G HN 0.954 nan 8.290 nan 0.000 0.497 275 N N 0.321 119.111 118.700 0.149 0.000 2.443 275 N HA 0.420 5.160 4.740 -0.000 0.000 0.269 275 N C 1.252 176.818 175.510 0.093 0.000 0.985 275 N CA -0.187 52.911 53.050 0.080 0.000 0.921 275 N CB 1.970 40.504 38.487 0.078 0.000 1.195 275 N HN 0.398 nan 8.380 nan 0.000 0.492 276 V N 0.668 120.510 119.914 -0.120 0.000 2.591 276 V HA 0.127 4.247 4.120 -0.000 0.000 0.249 276 V C 0.952 177.064 176.094 0.028 0.000 1.053 276 V CA 1.267 63.335 62.300 -0.387 0.000 1.068 276 V CB -0.481 31.009 31.823 -0.554 0.000 0.689 276 V HN 0.795 nan 8.190 nan 0.000 0.462 277 A N -0.674 122.182 122.820 0.061 0.000 2.586 277 A HA 0.735 5.055 4.320 -0.000 0.000 0.290 277 A C -0.428 177.191 177.584 0.059 0.000 1.086 277 A CA 0.209 52.325 52.037 0.131 0.000 0.665 277 A CB 1.468 20.589 19.000 0.202 0.000 1.279 277 A HN 0.281 nan 8.150 nan 0.000 0.423 278 T N -1.257 113.324 114.554 0.045 0.000 2.821 278 T HA 0.626 4.976 4.350 -0.000 0.000 0.306 278 T C -0.584 174.099 174.700 -0.029 0.000 1.313 278 T CA -0.860 61.244 62.100 0.006 0.000 1.012 278 T CB 0.916 69.788 68.868 0.007 0.000 1.298 278 T HN 0.645 nan 8.240 nan 0.000 0.502 279 N N 0.388 119.061 118.700 -0.045 0.000 2.444 279 N HA 0.544 5.284 4.740 -0.000 0.000 0.255 279 N C 0.641 176.092 175.510 -0.097 0.000 1.255 279 N CA -0.166 52.832 53.050 -0.086 0.000 0.933 279 N CB 0.776 39.225 38.487 -0.064 0.000 1.143 279 N HN 0.752 nan 8.380 nan 0.000 0.453 280 T N -1.006 113.459 114.554 -0.148 0.000 3.123 280 T HA 0.060 4.410 4.350 -0.000 0.000 0.266 280 T C -0.073 174.576 174.700 -0.085 0.000 1.170 280 T CA -0.575 61.445 62.100 -0.134 0.000 0.978 280 T CB -0.131 68.605 68.868 -0.221 0.000 2.402 280 T HN 0.657 nan 8.240 nan 0.000 0.525 281 D N 1.387 121.743 120.400 -0.073 0.000 2.738 281 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 281 D C 1.057 177.332 176.300 -0.042 0.000 1.070 281 D CA 0.237 54.212 54.000 -0.042 0.000 1.153 281 D CB -1.261 39.524 40.800 -0.025 0.000 1.141 281 D HN 0.923 nan 8.370 nan 0.000 0.459 282 G N 1.547 110.318 108.800 -0.047 0.000 2.422 282 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.301 282 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.301 282 G C 0.275 175.153 174.900 -0.036 0.000 0.981 282 G CA 0.165 45.242 45.100 -0.037 0.000 0.994 282 G HN 0.443 nan 8.290 nan 0.000 0.514 283 K N -0.364 119.987 120.400 -0.082 0.000 2.098 283 K HA 0.159 4.479 4.320 -0.000 0.000 0.257 283 K C 1.307 177.885 176.600 -0.037 0.000 0.999 283 K CA -0.105 56.146 56.287 -0.060 0.000 0.924 283 K CB 0.611 33.008 32.500 -0.170 0.000 1.028 283 K HN 0.467 nan 8.250 nan 0.000 0.466 284 N N 0.149 118.942 118.700 0.155 0.000 2.471 284 N HA -0.091 4.649 4.740 -0.000 0.000 0.205 284 N C -0.897 174.754 175.510 0.234 0.000 1.251 284 N CA 0.036 53.184 53.050 0.163 0.000 0.843 284 N CB -0.321 38.253 38.487 0.144 0.000 1.044 284 N HN 0.459 nan 8.380 nan 0.000 0.461 285 Y N -3.500 116.781 120.300 -0.032 0.000 2.474 285 Y HA 0.403 4.953 4.550 -0.000 0.000 0.326 285 Y C -1.292 174.580 175.900 -0.047 0.000 1.160 285 Y CA -2.435 55.634 58.100 -0.052 0.000 1.056 285 Y CB 0.163 38.577 38.460 -0.076 0.000 1.330 285 Y HN -0.065 nan 8.280 nan 0.000 0.447 286 c N 3.251 121.810 118.600 -0.068 0.000 2.428 286 c HA 0.546 5.116 4.570 -0.000 0.000 0.362 286 c C 1.433 175.482 174.090 -0.068 0.000 1.114 286 c CA 0.185 56.456 56.329 -0.097 0.000 1.473 286 c CB -1.199 41.299 42.510 -0.020 0.000 2.003 286 c HN 1.094 nan 8.230 nan 0.000 0.526 287 G N 3.136 111.826 108.800 -0.183 0.000 3.882 287 G HA2 0.487 4.447 3.960 -0.000 0.000 0.283 287 G HA3 0.487 4.447 3.960 -0.000 0.000 0.283 287 G C -0.216 174.762 174.900 0.130 0.000 1.283 287 G CA -0.001 45.087 45.100 -0.019 0.000 1.402 287 G HN 0.698 nan 8.290 nan 0.000 0.618 288 L N 0.631 121.992 121.223 0.231 0.000 2.526 288 L HA 0.402 4.742 4.340 -0.000 0.000 0.263 288 L C -2.441 174.488 176.870 0.098 0.000 0.943 288 L CA -2.085 52.835 54.840 0.134 0.000 0.859 288 L CB 3.794 45.861 42.059 0.013 0.000 1.313 288 L HN -0.034 nan 8.230 nan 0.000 0.406 289 P HA 0.264 nan 4.420 nan 0.000 0.274 289 P C -0.513 176.740 177.300 -0.078 0.000 1.246 289 P CA -0.082 62.789 63.100 -0.381 0.000 0.795 289 P CB 1.620 32.942 31.700 -0.631 0.000 1.006 290 G N -0.005 108.834 108.800 0.065 0.000 3.075 290 G HA2 0.350 4.310 3.960 -0.000 0.000 0.253 290 G HA3 0.350 4.310 3.960 -0.000 0.000 0.253 290 G C -1.018 173.939 174.900 0.095 0.000 1.353 290 G CA -0.595 44.563 45.100 0.098 0.000 1.051 290 G HN 0.450 nan 8.290 nan 0.000 0.553 291 E N 0.200 120.473 120.200 0.121 0.000 2.167 291 E HA 0.450 4.800 4.350 -0.000 0.000 0.284 291 E C -1.415 175.375 176.600 0.317 0.000 1.016 291 E CA -0.136 56.358 56.400 0.156 0.000 0.817 291 E CB 1.366 31.161 29.700 0.159 0.000 1.080 291 E HN 0.496 nan 8.360 nan 0.000 0.397 292 Y N 0.525 120.947 120.300 0.203 0.000 2.677 292 Y HA 0.475 5.025 4.550 -0.000 0.000 0.334 292 Y C -2.015 173.937 175.900 0.087 0.000 1.196 292 Y CA -1.405 56.734 58.100 0.065 0.000 1.059 292 Y CB 1.195 39.638 38.460 -0.028 0.000 1.315 292 Y HN 0.545 nan 8.280 nan 0.000 0.455 293 W N 5.494 126.581 121.300 -0.356 0.000 2.499 293 W HA 0.568 5.228 4.660 -0.000 0.000 0.320 293 W C -1.875 174.481 176.519 -0.272 0.000 1.010 293 W CA -1.092 55.976 57.345 -0.461 0.000 1.267 293 W CB 1.815 30.607 29.460 -1.113 0.000 1.316 293 W HN 0.814 nan 8.180 nan 0.000 0.431 294 L N 5.569 126.549 121.223 -0.406 0.000 2.490 294 L HA 0.297 4.637 4.340 -0.000 0.000 0.274 294 L C 1.349 177.735 176.870 -0.808 0.000 1.201 294 L CA 1.073 55.626 54.840 -0.478 0.000 0.869 294 L CB 0.504 42.331 42.059 -0.385 0.000 1.123 294 L HN 0.541 nan 8.230 nan 0.000 0.484 295 G N 3.496 111.996 108.800 -0.500 0.000 2.825 295 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.241 295 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.241 295 G C 0.603 175.195 174.900 -0.514 0.000 1.239 295 G CA 0.305 45.175 45.100 -0.383 0.000 0.859 295 G HN 0.946 nan 8.290 nan 0.000 0.598 296 N N 0.040 118.433 118.700 -0.513 0.000 2.124 296 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 296 N C 1.889 177.041 175.510 -0.596 0.000 1.045 296 N CA 1.343 53.939 53.050 -0.756 0.000 0.846 296 N CB -0.036 37.531 38.487 -1.535 0.000 1.020 296 N HN 0.682 nan 8.380 nan 0.000 0.432 297 D N 1.572 121.671 120.400 -0.501 0.000 2.149 297 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 297 D C 1.208 177.425 176.300 -0.138 0.000 1.001 297 D CA 1.193 55.126 54.000 -0.112 0.000 0.849 297 D CB -0.448 40.387 40.800 0.060 0.000 0.939 297 D HN 0.143 nan 8.370 nan 0.000 0.449 298 K N -0.369 119.896 120.400 -0.225 0.000 2.366 298 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 298 K C 1.714 178.170 176.600 -0.240 0.000 1.045 298 K CA 1.054 57.175 56.287 -0.276 0.000 0.934 298 K CB -0.092 32.126 32.500 -0.470 0.000 0.746 298 K HN 0.405 nan 8.250 nan 0.000 0.470 299 I N -1.392 119.030 120.570 -0.248 0.000 3.443 299 I HA -0.154 4.016 4.170 -0.000 0.000 0.277 299 I C 2.326 178.349 176.117 -0.157 0.000 1.169 299 I CA 0.286 61.462 61.300 -0.206 0.000 1.419 299 I CB -0.264 37.588 38.000 -0.247 0.000 1.331 299 I HN 0.027 nan 8.210 nan 0.000 0.458 300 S N 1.336 116.965 115.700 -0.117 0.000 2.369 300 S HA -0.349 4.121 4.470 -0.000 0.000 0.225 300 S C 2.089 176.652 174.600 -0.062 0.000 1.043 300 S CA 1.674 59.841 58.200 -0.056 0.000 1.074 300 S CB -0.818 62.429 63.200 0.078 0.000 0.962 300 S HN 0.431 nan 8.310 nan 0.000 0.433 301 Q N 1.329 121.114 119.800 -0.026 0.000 2.047 301 Q HA -0.188 4.152 4.340 -0.000 0.000 0.211 301 Q C 2.265 178.251 176.000 -0.023 0.000 1.005 301 Q CA 2.269 58.068 55.803 -0.007 0.000 0.866 301 Q CB -0.842 27.905 28.738 0.016 0.000 0.938 301 Q HN 0.713 nan 8.270 nan 0.000 0.414 302 L N 0.498 121.702 121.223 -0.032 0.000 2.051 302 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 302 L C 2.426 179.251 176.870 -0.076 0.000 1.076 302 L CA 2.159 56.983 54.840 -0.027 0.000 0.758 302 L CB -0.425 41.621 42.059 -0.021 0.000 0.890 302 L HN 0.484 nan 8.230 nan 0.000 0.433 303 T N -4.402 110.058 114.554 -0.157 0.000 3.088 303 T HA -0.047 4.303 4.350 -0.000 0.000 0.259 303 T C 1.606 176.220 174.700 -0.143 0.000 1.122 303 T CA 0.141 62.096 62.100 -0.241 0.000 1.095 303 T CB -0.173 68.379 68.868 -0.527 0.000 0.930 303 T HN 0.299 nan 8.240 nan 0.000 0.508 304 R N -0.150 120.301 120.500 -0.081 0.000 2.426 304 R HA 0.433 4.773 4.340 -0.000 0.000 0.263 304 R C 1.460 177.758 176.300 -0.003 0.000 0.961 304 R CA -0.154 55.926 56.100 -0.034 0.000 1.086 304 R CB -0.117 30.173 30.300 -0.018 0.000 1.186 304 R HN 0.396 nan 8.270 nan 0.000 0.537 305 M N -0.370 119.230 119.600 0.000 0.000 2.558 305 M HA 0.100 4.580 4.480 -0.000 0.000 0.255 305 M C 0.713 177.050 176.300 0.062 0.000 1.113 305 M CA 0.441 55.757 55.300 0.027 0.000 1.097 305 M CB 0.760 33.375 32.600 0.025 0.000 1.426 305 M HN 0.329 nan 8.290 nan 0.000 0.488 306 G N -0.387 108.453 108.800 0.066 0.000 2.351 306 G HA2 0.105 4.065 3.960 -0.000 0.000 0.279 306 G HA3 0.105 4.065 3.960 -0.000 0.000 0.279 306 G C -3.160 171.816 174.900 0.126 0.000 1.297 306 G CA -1.177 44.001 45.100 0.131 0.000 0.886 306 G HN -0.132 nan 8.290 nan 0.000 0.493 307 P HA 0.364 nan 4.420 nan 0.000 0.266 307 P C -0.504 176.843 177.300 0.079 0.000 1.215 307 P CA 0.586 63.810 63.100 0.207 0.000 0.763 307 P CB 0.791 32.725 31.700 0.391 0.000 0.806 308 T N 3.078 117.653 114.554 0.034 0.000 2.833 308 T HA 0.264 4.614 4.350 -0.000 0.000 0.297 308 T C -0.119 174.598 174.700 0.027 0.000 1.015 308 T CA -0.786 61.306 62.100 -0.014 0.000 0.963 308 T CB 0.593 69.419 68.868 -0.070 0.000 0.955 308 T HN 0.392 nan 8.240 nan 0.000 0.449 309 E N 3.053 123.221 120.200 -0.054 0.000 2.301 309 E HA 0.591 4.941 4.350 -0.000 0.000 0.275 309 E C -0.744 176.044 176.600 0.314 0.000 1.030 309 E CA -1.040 55.369 56.400 0.014 0.000 0.852 309 E CB 1.087 30.652 29.700 -0.225 0.000 1.060 309 E HN 0.344 nan 8.360 nan 0.000 0.401 310 L N 3.121 124.562 121.223 0.363 0.000 2.386 310 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 310 L C -1.923 175.001 176.870 0.090 0.000 0.993 310 L CA -1.086 53.937 54.840 0.305 0.000 0.819 310 L CB 1.853 44.023 42.059 0.186 0.000 1.294 310 L HN 0.671 nan 8.230 nan 0.000 0.414 311 L N 5.918 127.019 121.223 -0.202 0.000 2.349 311 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 311 L C -1.119 175.515 176.870 -0.393 0.000 0.996 311 L CA -0.266 54.254 54.840 -0.534 0.000 0.825 311 L CB 1.390 42.752 42.059 -1.162 0.000 1.243 311 L HN 0.585 nan 8.230 nan 0.000 0.412 312 I N 4.063 124.452 120.570 -0.301 0.000 2.355 312 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 312 I C -0.256 175.619 176.117 -0.404 0.000 0.999 312 I CA -0.619 60.506 61.300 -0.291 0.000 1.163 312 I CB 1.404 39.270 38.000 -0.223 0.000 1.316 312 I HN 0.590 nan 8.210 nan 0.000 0.454 313 E N 7.348 127.319 120.200 -0.381 0.000 2.227 313 E HA 0.766 5.116 4.350 -0.000 0.000 0.268 313 E C -0.504 175.877 176.600 -0.366 0.000 0.990 313 E CA -0.705 55.461 56.400 -0.390 0.000 0.856 313 E CB 2.165 31.660 29.700 -0.341 0.000 1.159 313 E HN 0.583 nan 8.360 nan 0.000 0.401 314 M N -0.397 118.970 119.600 -0.388 0.000 2.534 314 M HA 0.564 5.044 4.480 -0.000 0.000 0.280 314 M C -1.581 174.562 176.300 -0.261 0.000 1.217 314 M CA -0.811 54.305 55.300 -0.307 0.000 0.893 314 M CB 2.344 34.741 32.600 -0.339 0.000 1.730 314 M HN 0.388 nan 8.290 nan 0.000 0.483 315 E N 2.157 122.303 120.200 -0.089 0.000 2.260 315 E HA 0.312 4.662 4.350 -0.000 0.000 0.266 315 E C -1.255 175.428 176.600 0.139 0.000 0.887 315 E CA -0.591 55.812 56.400 0.006 0.000 0.777 315 E CB 1.808 31.451 29.700 -0.096 0.000 1.205 315 E HN 0.764 nan 8.360 nan 0.000 0.414 316 D N 2.211 122.839 120.400 0.379 0.000 2.232 316 D HA -0.147 4.493 4.640 -0.000 0.000 0.242 316 D C 0.343 176.716 176.300 0.123 0.000 1.330 316 D CA 0.108 54.339 54.000 0.385 0.000 0.954 316 D CB 0.314 41.264 40.800 0.250 0.000 1.202 316 D HN 0.533 nan 8.370 nan 0.000 0.530 317 W N -1.356 120.062 121.300 0.198 0.000 3.405 317 W HA 0.224 4.884 4.660 -0.000 0.000 0.300 317 W C 1.170 177.723 176.519 0.055 0.000 1.286 317 W CA -0.099 57.267 57.345 0.035 0.000 1.762 317 W CB 0.078 29.502 29.460 -0.059 0.000 1.087 317 W HN 0.290 nan 8.180 nan 0.000 0.703 318 K N -0.931 119.600 120.400 0.220 0.000 2.464 318 K HA 0.336 4.656 4.320 -0.000 0.000 0.206 318 K C 1.208 177.865 176.600 0.094 0.000 1.186 318 K CA 0.671 57.047 56.287 0.149 0.000 0.990 318 K CB 1.054 33.636 32.500 0.136 0.000 1.003 318 K HN -0.123 nan 8.250 nan 0.000 0.562 319 G N 1.490 110.341 108.800 0.084 0.000 2.131 319 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.201 319 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.201 319 G C -0.876 174.066 174.900 0.069 0.000 1.000 319 G CA -0.323 44.806 45.100 0.048 0.000 0.680 319 G HN 0.149 nan 8.290 nan 0.000 0.514 320 D N 0.436 120.922 120.400 0.142 0.000 2.283 320 D HA 0.722 5.362 4.640 -0.000 0.000 0.248 320 D C 0.581 176.969 176.300 0.146 0.000 1.072 320 D CA 0.272 54.379 54.000 0.179 0.000 0.929 320 D CB 1.283 42.272 40.800 0.315 0.000 1.182 320 D HN 0.272 nan 8.370 nan 0.000 0.433 321 K N -0.422 119.956 120.400 -0.036 0.000 2.509 321 K HA 0.759 5.079 4.320 -0.000 0.000 0.266 321 K C -1.189 175.145 176.600 -0.443 0.000 0.987 321 K CA -0.954 55.177 56.287 -0.260 0.000 0.868 321 K CB 2.342 34.724 32.500 -0.195 0.000 1.421 321 K HN 0.224 nan 8.250 nan 0.000 0.444 322 V N -2.212 117.329 119.914 -0.621 0.000 3.120 322 V HA 0.671 4.791 4.120 -0.000 0.000 0.303 322 V C -1.587 174.178 176.094 -0.549 0.000 1.238 322 V CA -1.169 60.744 62.300 -0.646 0.000 1.008 322 V CB 2.001 33.194 31.823 -1.049 0.000 1.064 322 V HN 0.593 nan 8.190 nan 0.000 0.434 323 K N 1.830 121.980 120.400 -0.417 0.000 2.207 323 K HA 0.919 5.239 4.320 -0.000 0.000 0.255 323 K C -0.427 176.005 176.600 -0.280 0.000 0.941 323 K CA -0.072 55.999 56.287 -0.360 0.000 0.825 323 K CB 2.228 34.554 32.500 -0.290 0.000 1.119 323 K HN 1.236 nan 8.250 nan 0.000 0.430 324 A N 2.615 125.285 122.820 -0.250 0.000 2.586 324 A HA 0.300 4.620 4.320 -0.000 0.000 0.320 324 A C -1.417 176.206 177.584 0.066 0.000 1.281 324 A CA -0.515 51.535 52.037 0.023 0.000 0.775 324 A CB 0.072 19.065 19.000 -0.011 0.000 1.122 324 A HN 0.641 nan 8.150 nan 0.000 0.470 325 H N 1.307 120.249 119.070 -0.214 0.000 2.481 325 H HA 0.566 5.122 4.556 -0.000 0.000 0.333 325 H C -1.875 173.208 175.328 -0.408 0.000 1.066 325 H CA -0.586 55.308 56.048 -0.256 0.000 1.209 325 H CB 0.829 30.399 29.762 -0.319 0.000 1.445 325 H HN 0.563 nan 8.280 nan 0.000 0.488 326 Y N 2.530 123.006 120.300 0.294 0.000 2.445 326 Y HA 0.193 4.743 4.550 -0.000 0.000 0.332 326 Y C 1.390 177.316 175.900 0.044 0.000 1.037 326 Y CA -0.483 57.708 58.100 0.152 0.000 1.296 326 Y CB 1.766 40.300 38.460 0.123 0.000 1.099 326 Y HN 0.862 nan 8.280 nan 0.000 0.496 327 G N 1.796 110.584 108.800 -0.021 0.000 2.499 327 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.221 327 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.221 327 G C 0.689 175.498 174.900 -0.152 0.000 1.109 327 G CA 0.880 45.787 45.100 -0.323 0.000 0.749 327 G HN 0.743 nan 8.290 nan 0.000 0.568 328 G N -1.288 107.572 108.800 0.100 0.000 2.542 328 G HA2 0.541 4.501 3.960 -0.000 0.000 0.311 328 G HA3 0.541 4.501 3.960 -0.000 0.000 0.311 328 G C -1.861 173.190 174.900 0.250 0.000 1.298 328 G CA -0.747 44.445 45.100 0.152 0.000 0.973 328 G HN 0.400 nan 8.290 nan 0.000 0.487 329 F N 1.843 121.795 119.950 0.004 0.000 2.911 329 F HA 0.602 5.129 4.527 -0.000 0.000 0.349 329 F C -0.896 174.868 175.800 -0.060 0.000 1.222 329 F CA -0.925 57.045 58.000 -0.050 0.000 1.164 329 F CB 1.418 40.402 39.000 -0.027 0.000 1.454 329 F HN 0.785 nan 8.300 nan 0.000 0.616 330 T N 4.104 118.549 114.554 -0.182 0.000 2.933 330 T HA 0.836 5.186 4.350 -0.000 0.000 0.305 330 T C -1.943 172.585 174.700 -0.288 0.000 1.092 330 T CA -0.564 61.296 62.100 -0.400 0.000 1.008 330 T CB 1.676 70.443 68.868 -0.169 0.000 1.102 330 T HN 0.522 nan 8.240 nan 0.000 0.469 331 V N 3.434 123.178 119.914 -0.283 0.000 2.815 331 V HA 0.597 4.717 4.120 -0.000 0.000 0.314 331 V C -0.238 175.880 176.094 0.040 0.000 1.064 331 V CA -0.910 61.365 62.300 -0.042 0.000 0.952 331 V CB 1.965 33.848 31.823 0.100 0.000 1.020 331 V HN 0.926 nan 8.190 nan 0.000 0.439 332 Q N 1.826 121.717 119.800 0.151 0.000 2.240 332 Q HA 0.389 4.729 4.340 -0.000 0.000 0.260 332 Q C -0.263 175.898 176.000 0.268 0.000 1.018 332 Q CA -0.779 55.116 55.803 0.154 0.000 0.898 332 Q CB 1.367 30.178 28.738 0.121 0.000 1.301 332 Q HN 0.927 nan 8.270 nan 0.000 0.469 333 N N -0.181 118.631 118.700 0.187 0.000 2.237 333 N HA -0.171 4.569 4.740 -0.000 0.000 0.222 333 N C 0.704 176.153 175.510 -0.101 0.000 1.311 333 N CA 0.326 53.482 53.050 0.178 0.000 0.880 333 N CB 0.534 39.086 38.487 0.109 0.000 1.106 333 N HN 0.733 nan 8.380 nan 0.000 0.435 334 E N -0.081 119.986 120.200 -0.221 0.000 2.085 334 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 334 E C 1.795 178.297 176.600 -0.163 0.000 0.994 334 E CA 1.676 57.777 56.400 -0.498 0.000 0.801 334 E CB -0.398 29.309 29.700 0.011 0.000 0.743 334 E HN 0.699 nan 8.360 nan 0.000 0.453 335 A N 1.115 123.914 122.820 -0.036 0.000 1.927 335 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 335 A C 1.457 179.061 177.584 0.033 0.000 1.185 335 A CA 2.012 54.052 52.037 0.005 0.000 0.639 335 A CB -0.541 18.476 19.000 0.029 0.000 0.820 335 A HN 0.296 nan 8.150 nan 0.000 0.451 336 N N -0.397 118.347 118.700 0.073 0.000 2.376 336 N HA 0.250 4.990 4.740 -0.000 0.000 0.249 336 N C -0.671 175.048 175.510 0.349 0.000 1.140 336 N CA -0.028 53.150 53.050 0.214 0.000 0.870 336 N CB 0.103 38.708 38.487 0.198 0.000 1.124 336 N HN 0.393 nan 8.380 nan 0.000 0.505 337 K N 0.707 121.210 120.400 0.171 0.000 3.679 337 K HA -0.253 4.067 4.320 -0.000 0.000 0.274 337 K C -0.809 176.069 176.600 0.463 0.000 0.839 337 K CA 0.263 56.703 56.287 0.255 0.000 0.663 337 K CB -1.667 31.027 32.500 0.325 0.000 1.638 337 K HN 0.295 nan 8.250 nan 0.000 0.443 338 Y N -2.420 118.141 120.300 0.434 0.000 3.108 338 Y HA -0.341 4.209 4.550 -0.000 0.000 0.208 338 Y C 0.938 177.189 175.900 0.585 0.000 1.245 338 Y CA 1.299 59.618 58.100 0.365 0.000 1.171 338 Y CB -2.290 36.248 38.460 0.130 0.000 1.331 338 Y HN 0.632 nan 8.280 nan 0.000 0.534 339 Q N 1.201 121.278 119.800 0.461 0.000 2.364 339 Q HA 0.438 4.778 4.340 -0.000 0.000 0.267 339 Q C -0.127 175.846 176.000 -0.045 0.000 0.999 339 Q CA -0.288 55.606 55.803 0.152 0.000 0.886 339 Q CB 0.871 29.509 28.738 -0.167 0.000 1.243 339 Q HN 0.621 nan 8.270 nan 0.000 0.415 340 I N 2.625 122.946 120.570 -0.414 0.000 2.530 340 I HA 0.501 4.671 4.170 -0.000 0.000 0.297 340 I C -1.168 174.704 176.117 -0.409 0.000 1.011 340 I CA -0.421 60.476 61.300 -0.672 0.000 1.107 340 I CB 1.886 38.831 38.000 -1.759 0.000 1.285 340 I HN 0.870 nan 8.210 nan 0.000 0.436 341 S N 7.208 122.768 115.700 -0.233 0.000 2.548 341 S HA 0.847 5.317 4.470 -0.000 0.000 0.286 341 S C -0.917 173.644 174.600 -0.065 0.000 1.098 341 S CA -0.419 57.693 58.200 -0.148 0.000 0.930 341 S CB 1.849 65.002 63.200 -0.078 0.000 1.070 341 S HN 0.970 nan 8.310 nan 0.000 0.480 342 V N 0.420 120.281 119.914 -0.087 0.000 3.049 342 V HA 0.974 5.094 4.120 -0.000 0.000 0.309 342 V C -1.307 174.835 176.094 0.081 0.000 1.148 342 V CA -0.670 61.603 62.300 -0.046 0.000 0.990 342 V CB 1.471 33.036 31.823 -0.430 0.000 1.039 342 V HN 1.395 nan 8.190 nan 0.000 0.430 343 N N 0.479 119.323 118.700 0.240 0.000 3.308 343 N HA 0.421 5.161 4.740 -0.000 0.000 0.276 343 N C -0.955 174.744 175.510 0.314 0.000 1.533 343 N CA -0.478 52.746 53.050 0.289 0.000 0.878 343 N CB 0.605 39.190 38.487 0.163 0.000 1.566 343 N HN 0.890 nan 8.380 nan 0.000 0.546 344 K N -1.372 119.156 120.400 0.214 0.000 3.372 344 K HA -0.245 4.075 4.320 -0.000 0.000 0.272 344 K C -1.386 175.240 176.600 0.043 0.000 1.037 344 K CA 0.278 56.638 56.287 0.122 0.000 0.777 344 K CB -1.735 30.829 32.500 0.107 0.000 1.347 344 K HN 0.531 nan 8.250 nan 0.000 0.460 345 Y N 2.074 122.313 120.300 -0.101 0.000 2.301 345 Y HA 0.361 4.911 4.550 -0.000 0.000 0.328 345 Y C 0.351 176.104 175.900 -0.245 0.000 1.242 345 Y CA -0.175 57.707 58.100 -0.364 0.000 1.323 345 Y CB 0.770 39.017 38.460 -0.356 0.000 1.266 345 Y HN 0.289 nan 8.280 nan 0.000 0.527 346 R N 3.092 122.783 120.500 -1.349 0.000 2.604 346 R HA 0.758 5.098 4.340 -0.000 0.000 0.261 346 R C -1.142 174.483 176.300 -1.124 0.000 1.080 346 R CA -0.616 54.819 56.100 -1.108 0.000 0.917 346 R CB 1.272 31.267 30.300 -0.507 0.000 1.252 346 R HN 1.160 nan 8.270 nan 0.000 0.456 347 G N 0.070 108.406 108.800 -0.775 0.000 2.361 347 G HA2 0.150 4.110 3.960 -0.000 0.000 0.305 347 G HA3 0.150 4.110 3.960 -0.000 0.000 0.305 347 G C -0.009 174.830 174.900 -0.101 0.000 1.367 347 G CA -0.262 44.627 45.100 -0.351 0.000 0.951 347 G HN 0.757 nan 8.290 nan 0.000 0.615 348 T N -2.193 112.307 114.554 -0.090 0.000 3.040 348 T HA 0.507 4.857 4.350 -0.000 0.000 0.250 348 T C 2.195 176.843 174.700 -0.085 0.000 1.058 348 T CA 1.489 63.555 62.100 -0.056 0.000 0.988 348 T CB 0.659 69.462 68.868 -0.109 0.000 0.993 348 T HN 1.601 nan 8.240 nan 0.000 0.519 349 A N 1.732 124.481 122.820 -0.119 0.000 1.897 349 A HA 0.575 4.895 4.320 -0.000 0.000 0.215 349 A C 1.531 179.297 177.584 0.303 0.000 1.181 349 A CA 0.699 52.613 52.037 -0.205 0.000 0.620 349 A CB -0.993 17.698 19.000 -0.516 0.000 0.821 349 A HN 1.543 nan 8.150 nan 0.000 0.443 350 G N -1.202 107.873 108.800 0.459 0.000 2.906 350 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.686 350 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.686 350 G C -0.453 174.620 174.900 0.290 0.000 1.170 350 G CA -0.138 45.208 45.100 0.410 0.000 0.775 350 G HN 0.532 nan 8.290 nan 0.000 0.630 351 N N 1.071 119.669 118.700 -0.171 0.000 3.103 351 N HA 0.399 5.139 4.740 -0.000 0.000 0.305 351 N C 1.742 177.153 175.510 -0.166 0.000 1.232 351 N CA 0.538 53.282 53.050 -0.509 0.000 1.190 351 N CB -0.017 37.999 38.487 -0.785 0.000 1.461 351 N HN 0.920 nan 8.380 nan 0.000 0.538 352 A N 2.197 124.936 122.820 -0.135 0.000 2.067 352 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 352 A C 1.841 179.354 177.584 -0.119 0.000 1.158 352 A CA 0.752 52.603 52.037 -0.310 0.000 0.661 352 A CB -0.123 18.302 19.000 -0.958 0.000 0.801 352 A HN 0.602 nan 8.150 nan 0.000 0.452 353 L N -1.722 119.496 121.223 -0.009 0.000 2.127 353 L HA -0.033 4.306 4.340 -0.000 0.000 0.203 353 L C 2.690 179.540 176.870 -0.033 0.000 1.080 353 L CA 1.037 55.886 54.840 0.014 0.000 0.768 353 L CB -0.408 41.509 42.059 -0.236 0.000 0.924 353 L HN 0.391 nan 8.230 nan 0.000 0.444 354 M N -1.164 118.427 119.600 -0.015 0.000 2.556 354 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 354 M C 1.142 177.422 176.300 -0.034 0.000 1.163 354 M CA 0.961 56.259 55.300 -0.004 0.000 1.186 354 M CB -0.047 32.597 32.600 0.073 0.000 1.321 354 M HN 0.113 nan 8.290 nan 0.000 0.485 355 D N 0.042 120.409 120.400 -0.054 0.000 2.380 355 D HA 0.252 4.892 4.640 -0.000 0.000 0.212 355 D C 1.132 177.385 176.300 -0.079 0.000 1.021 355 D CA 0.916 54.883 54.000 -0.055 0.000 0.884 355 D CB 0.640 41.413 40.800 -0.045 0.000 1.001 355 D HN 0.400 nan 8.370 nan 0.000 0.506 356 G N 1.133 109.866 108.800 -0.112 0.000 2.728 356 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.294 356 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.294 356 G C -0.026 174.798 174.900 -0.127 0.000 1.342 356 G CA -0.424 44.588 45.100 -0.147 0.000 0.866 356 G HN 0.459 nan 8.290 nan 0.000 0.534 357 A N 0.318 123.055 122.820 -0.138 0.000 2.512 357 A HA 0.509 4.829 4.320 -0.000 0.000 0.278 357 A C 1.979 179.521 177.584 -0.070 0.000 1.128 357 A CA 1.549 53.519 52.037 -0.112 0.000 0.818 357 A CB -0.562 18.361 19.000 -0.129 0.000 1.044 357 A HN 2.435 nan 8.150 nan 0.000 0.526 358 S N 2.355 118.030 115.700 -0.041 0.000 2.380 358 S HA -0.358 4.112 4.470 -0.000 0.000 0.229 358 S C 1.804 176.396 174.600 -0.013 0.000 1.043 358 S CA 1.634 59.826 58.200 -0.013 0.000 1.038 358 S CB -0.539 62.674 63.200 0.022 0.000 0.872 358 S HN 0.905 nan 8.310 nan 0.000 0.456 359 Q N 1.223 121.013 119.800 -0.016 0.000 2.119 359 Q HA 0.100 4.440 4.340 -0.000 0.000 0.201 359 Q C 1.006 176.990 176.000 -0.027 0.000 0.972 359 Q CA 0.487 56.281 55.803 -0.015 0.000 0.847 359 Q CB -0.726 28.006 28.738 -0.010 0.000 0.903 359 Q HN 0.539 nan 8.270 nan 0.000 0.433 360 L N 1.452 122.648 121.223 -0.045 0.000 2.473 360 L HA 0.132 4.472 4.340 -0.000 0.000 0.268 360 L C 0.639 177.483 176.870 -0.042 0.000 1.215 360 L CA -0.012 54.797 54.840 -0.052 0.000 0.823 360 L CB 0.323 42.336 42.059 -0.077 0.000 1.099 360 L HN 0.221 nan 8.230 nan 0.000 0.483 361 M N 0.191 119.767 119.600 -0.039 0.000 2.777 361 M HA 0.399 4.879 4.480 -0.000 0.000 0.307 361 M C 0.986 177.265 176.300 -0.034 0.000 1.228 361 M CA -0.103 55.178 55.300 -0.031 0.000 0.871 361 M CB 1.029 33.615 32.600 -0.023 0.000 1.721 361 M HN 0.784 nan 8.290 nan 0.000 0.487 362 G N 1.235 110.019 108.800 -0.027 0.000 2.700 362 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.350 362 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.350 362 G C 0.857 175.739 174.900 -0.031 0.000 1.250 362 G CA 1.306 46.391 45.100 -0.025 0.000 0.978 362 G HN 0.938 nan 8.290 nan 0.000 0.551 363 E N 0.639 120.820 120.200 -0.031 0.000 2.072 363 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 363 E C 2.244 178.814 176.600 -0.051 0.000 0.985 363 E CA 1.339 57.718 56.400 -0.035 0.000 0.801 363 E CB -0.310 29.373 29.700 -0.028 0.000 0.750 363 E HN 0.581 nan 8.360 nan 0.000 0.452 364 N N 0.810 119.475 118.700 -0.058 0.000 2.381 364 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 364 N C 1.930 177.386 175.510 -0.091 0.000 1.025 364 N CA 0.684 53.686 53.050 -0.080 0.000 0.888 364 N CB -0.290 38.150 38.487 -0.078 0.000 0.965 364 N HN 0.251 nan 8.380 nan 0.000 0.438 365 R N 1.198 121.652 120.500 -0.075 0.000 2.055 365 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 365 R C 1.669 177.915 176.300 -0.089 0.000 1.143 365 R CA 1.674 57.725 56.100 -0.082 0.000 0.945 365 R CB -0.399 29.865 30.300 -0.061 0.000 0.841 365 R HN 0.215 nan 8.270 nan 0.000 0.429 366 T N -1.102 113.411 114.554 -0.069 0.000 3.252 366 T HA 0.016 4.366 4.350 -0.000 0.000 0.250 366 T C 1.580 176.242 174.700 -0.063 0.000 1.123 366 T CA 0.351 62.413 62.100 -0.063 0.000 1.006 366 T CB -0.147 68.696 68.868 -0.041 0.000 0.992 366 T HN 0.440 nan 8.240 nan 0.000 0.547 367 M N 0.833 120.387 119.600 -0.076 0.000 2.495 367 M HA 0.259 4.739 4.480 -0.000 0.000 0.237 367 M C 0.244 176.483 176.300 -0.102 0.000 1.131 367 M CA 0.148 55.403 55.300 -0.076 0.000 1.032 367 M CB 0.125 32.675 32.600 -0.083 0.000 1.513 367 M HN 0.172 nan 8.290 nan 0.000 0.488 368 T N -0.145 114.325 114.554 -0.139 0.000 3.226 368 T HA 0.637 4.987 4.350 -0.000 0.000 0.378 368 T C -0.727 173.804 174.700 -0.280 0.000 1.380 368 T CA -0.468 61.510 62.100 -0.205 0.000 1.396 368 T CB 0.124 68.861 68.868 -0.219 0.000 1.044 368 T HN 0.294 nan 8.240 nan 0.000 0.586 369 I N 2.613 123.022 120.570 -0.269 0.000 2.533 369 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 369 I C 0.749 176.710 176.117 -0.259 0.000 1.056 369 I CA -1.126 60.007 61.300 -0.279 0.000 1.057 369 I CB 2.237 40.157 38.000 -0.135 0.000 1.240 369 I HN 0.539 nan 8.210 nan 0.000 0.423 370 H N 2.429 121.499 119.070 -0.001 0.000 2.465 370 H HA 0.074 4.630 4.556 -0.000 0.000 0.289 370 H C 0.704 175.968 175.328 -0.105 0.000 1.022 370 H CA 0.306 56.356 56.048 0.004 0.000 1.340 370 H CB 0.070 29.850 29.762 0.030 0.000 1.437 370 H HN 0.461 nan 8.280 nan 0.000 0.539 371 N N 1.053 119.734 118.700 -0.032 0.000 2.315 371 N HA -0.058 4.682 4.740 -0.000 0.000 0.270 371 N C 1.233 176.682 175.510 -0.101 0.000 1.329 371 N CA 1.342 54.327 53.050 -0.108 0.000 0.860 371 N CB 0.060 38.500 38.487 -0.077 0.000 1.095 371 N HN 0.659 nan 8.380 nan 0.000 0.487 372 G N 2.785 111.488 108.800 -0.161 0.000 2.238 372 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 372 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 372 G C 0.274 175.043 174.900 -0.219 0.000 0.996 372 G CA 0.031 45.032 45.100 -0.165 0.000 0.632 372 G HN 0.511 nan 8.290 nan 0.000 0.503 373 M N 0.489 120.017 119.600 -0.119 0.000 2.198 373 M HA 0.613 5.093 4.480 -0.000 0.000 0.315 373 M C 0.586 176.936 176.300 0.083 0.000 1.134 373 M CA -0.650 54.674 55.300 0.039 0.000 1.171 373 M CB -0.429 32.335 32.600 0.272 0.000 1.413 373 M HN 0.039 nan 8.290 nan 0.000 0.467 374 F N -0.218 119.988 119.950 0.426 0.000 2.408 374 F HA 0.426 4.953 4.527 -0.000 0.000 0.325 374 F C 0.039 176.114 175.800 0.457 0.000 1.082 374 F CA -0.440 57.858 58.000 0.497 0.000 1.032 374 F CB 0.587 39.776 39.000 0.315 0.000 1.259 374 F HN 0.256 nan 8.300 nan 0.000 0.503 375 F N 0.851 121.039 119.950 0.397 0.000 2.396 375 F HA 0.490 5.017 4.527 -0.000 0.000 0.343 375 F C 0.007 175.954 175.800 0.245 0.000 1.104 375 F CA -0.022 57.928 58.000 -0.084 0.000 1.161 375 F CB 0.820 39.704 39.000 -0.193 0.000 1.146 375 F HN 0.216 nan 8.300 nan 0.000 0.522 376 S N 2.225 117.818 115.700 -0.179 0.000 2.547 376 S HA 0.565 5.035 4.470 -0.000 0.000 0.281 376 S C -0.490 174.064 174.600 -0.076 0.000 1.118 376 S CA -0.775 57.490 58.200 0.109 0.000 0.947 376 S CB 1.787 65.105 63.200 0.197 0.000 1.053 376 S HN 0.777 nan 8.310 nan 0.000 0.482 377 T N -0.177 114.475 114.554 0.162 0.000 2.930 377 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 377 T C 0.795 175.565 174.700 0.116 0.000 1.052 377 T CA -0.790 61.349 62.100 0.064 0.000 1.017 377 T CB 0.567 69.515 68.868 0.133 0.000 1.137 377 T HN 0.646 nan 8.240 nan 0.000 0.511 378 Y N 0.811 121.192 120.300 0.135 0.000 2.716 378 Y HA 0.136 4.686 4.550 -0.000 0.000 0.302 378 Y C 0.991 176.939 175.900 0.080 0.000 1.160 378 Y CA 0.703 58.857 58.100 0.089 0.000 1.362 378 Y CB -0.648 37.852 38.460 0.067 0.000 0.988 378 Y HN 0.688 nan 8.280 nan 0.000 0.546 379 D N -0.094 120.312 120.400 0.011 0.000 2.593 379 D HA 0.194 4.834 4.640 -0.000 0.000 0.241 379 D C -0.419 175.900 176.300 0.031 0.000 1.257 379 D CA -0.352 53.681 54.000 0.055 0.000 0.828 379 D CB -0.001 40.806 40.800 0.011 0.000 1.049 379 D HN 0.253 nan 8.370 nan 0.000 0.490 380 R N 0.881 121.418 120.500 0.063 0.000 2.605 380 R HA 0.186 4.526 4.340 -0.000 0.000 0.291 380 R C -1.805 174.511 176.300 0.026 0.000 1.226 380 R CA -0.406 55.682 56.100 -0.019 0.000 0.981 380 R CB 0.722 30.961 30.300 -0.102 0.000 1.215 380 R HN -0.199 nan 8.270 nan 0.000 0.428 381 D N 2.651 123.039 120.400 -0.020 0.000 2.374 381 D HA 0.163 4.803 4.640 -0.000 0.000 0.240 381 D C -0.641 175.651 176.300 -0.013 0.000 1.229 381 D CA 0.297 54.301 54.000 0.008 0.000 0.895 381 D CB 0.585 41.373 40.800 -0.021 0.000 1.046 381 D HN 0.494 nan 8.370 nan 0.000 0.498 382 N N 3.321 122.059 118.700 0.062 0.000 2.517 382 N HA 0.064 4.804 4.740 -0.000 0.000 0.285 382 N C -0.690 174.953 175.510 0.221 0.000 1.528 382 N CA -0.405 52.681 53.050 0.060 0.000 0.892 382 N CB 0.682 39.189 38.487 0.033 0.000 1.356 382 N HN 0.483 nan 8.380 nan 0.000 0.495 383 D N -1.429 119.102 120.400 0.219 0.000 2.423 383 D HA 0.295 4.935 4.640 -0.000 0.000 0.255 383 D C 1.316 177.777 176.300 0.270 0.000 1.174 383 D CA -0.606 53.570 54.000 0.293 0.000 1.008 383 D CB 0.531 41.519 40.800 0.312 0.000 1.101 383 D HN -0.042 nan 8.370 nan 0.000 0.516 384 G N -1.336 107.631 108.800 0.279 0.000 3.314 384 G HA2 0.006 3.966 3.960 -0.000 0.000 0.238 384 G HA3 0.006 3.966 3.960 -0.000 0.000 0.238 384 G C -0.803 174.255 174.900 0.263 0.000 1.184 384 G CA -0.593 44.646 45.100 0.231 0.000 0.806 384 G HN 0.403 nan 8.290 nan 0.000 0.536 385 W N 2.236 123.574 121.300 0.063 0.000 2.253 385 W HA 0.544 5.204 4.660 -0.000 0.000 0.348 385 W C -0.567 175.968 176.519 0.028 0.000 0.920 385 W CA -2.170 55.196 57.345 0.034 0.000 1.518 385 W CB -0.185 29.286 29.460 0.019 0.000 1.446 385 W HN -0.185 nan 8.180 nan 0.000 0.361 386 L N 7.085 128.466 121.223 0.263 0.000 2.315 386 L HA 0.381 4.721 4.340 -0.000 0.000 0.283 386 L C 0.515 177.394 176.870 0.014 0.000 1.089 386 L CA 0.398 55.296 54.840 0.096 0.000 0.833 386 L CB 0.092 42.207 42.059 0.093 0.000 1.170 386 L HN 0.186 nan 8.230 nan 0.000 0.442 387 T N -0.595 113.898 114.554 -0.101 0.000 2.681 387 T HA 0.142 4.492 4.350 -0.000 0.000 0.296 387 T C 0.412 175.038 174.700 -0.124 0.000 1.157 387 T CA -0.451 61.558 62.100 -0.152 0.000 1.025 387 T CB 1.829 70.485 68.868 -0.353 0.000 1.441 387 T HN 0.370 nan 8.240 nan 0.000 0.504 388 S N -0.696 114.933 115.700 -0.118 0.000 2.514 388 S HA 0.136 4.606 4.470 -0.000 0.000 0.223 388 S C 0.245 174.774 174.600 -0.117 0.000 1.046 388 S CA 0.033 58.175 58.200 -0.096 0.000 0.914 388 S CB -0.109 63.053 63.200 -0.062 0.000 0.807 388 S HN 0.645 nan 8.310 nan 0.000 0.497 389 D N 2.017 122.326 120.400 -0.152 0.000 2.348 389 D HA 0.216 4.856 4.640 -0.000 0.000 0.253 389 D C -1.743 174.440 176.300 -0.195 0.000 1.161 389 D CA -1.791 52.120 54.000 -0.149 0.000 0.876 389 D CB 1.804 42.519 40.800 -0.141 0.000 1.160 389 D HN 0.119 nan 8.370 nan 0.000 0.459 390 P HA -0.081 nan 4.420 nan 0.000 0.214 390 P C 1.289 178.497 177.300 -0.153 0.000 1.162 390 P CA 0.958 63.983 63.100 -0.124 0.000 0.879 390 P CB 0.248 31.911 31.700 -0.062 0.000 0.786 391 R N 0.040 120.474 120.500 -0.110 0.000 2.178 391 R HA -0.155 4.185 4.340 -0.000 0.000 0.257 391 R C 0.671 176.845 176.300 -0.210 0.000 1.163 391 R CA 1.120 57.168 56.100 -0.086 0.000 0.981 391 R CB -0.746 29.546 30.300 -0.013 0.000 0.878 391 R HN 0.208 nan 8.270 nan 0.000 0.454 392 K N 2.326 122.473 120.400 -0.423 0.000 2.737 392 K HA 0.105 4.425 4.320 -0.000 0.000 0.251 392 K C -0.279 175.593 176.600 -1.214 0.000 1.280 392 K CA 0.406 56.032 56.287 -1.101 0.000 1.219 392 K CB 0.213 32.096 32.500 -1.028 0.000 1.587 392 K HN 0.325 nan 8.250 nan 0.000 0.279 393 Q N -1.013 118.440 119.800 -0.580 0.000 2.423 393 Q HA 0.226 4.566 4.340 -0.000 0.000 0.278 393 Q C 0.412 176.535 176.000 0.204 0.000 1.097 393 Q CA -0.725 54.993 55.803 -0.143 0.000 0.809 393 Q CB 1.970 30.663 28.738 -0.074 0.000 1.391 393 Q HN 0.228 nan 8.270 nan 0.000 0.428 394 c N -0.170 118.605 118.600 0.293 0.000 2.473 394 c HA -0.124 4.446 4.570 -0.000 0.000 0.279 394 c C 2.748 176.705 174.090 -0.221 0.000 1.250 394 c CA 1.351 57.699 56.329 0.030 0.000 1.713 394 c CB -0.441 41.935 42.510 -0.223 0.000 2.066 394 c HN 1.010 nan 8.230 nan 0.000 0.474 395 S N 0.429 116.071 115.700 -0.097 0.000 2.402 395 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 395 S C 1.958 176.601 174.600 0.073 0.000 1.030 395 S CA 1.514 59.770 58.200 0.093 0.000 1.003 395 S CB -0.236 63.122 63.200 0.264 0.000 0.813 395 S HN 0.515 nan 8.310 nan 0.000 0.477 396 K N 1.000 121.405 120.400 0.009 0.000 1.991 396 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 396 K C 2.132 178.551 176.600 -0.302 0.000 1.049 396 K CA 1.835 58.038 56.287 -0.139 0.000 0.932 396 K CB -0.652 31.741 32.500 -0.177 0.000 0.717 396 K HN 0.609 nan 8.250 nan 0.000 0.441 397 E N 0.724 120.815 120.200 -0.182 0.000 2.014 397 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 397 E C 1.644 178.256 176.600 0.021 0.000 0.980 397 E CA 0.916 57.261 56.400 -0.091 0.000 0.807 397 E CB -0.033 29.721 29.700 0.090 0.000 0.770 397 E HN 0.221 nan 8.360 nan 0.000 0.451 398 D N -0.550 119.832 120.400 -0.029 0.000 2.348 398 D HA 0.019 4.659 4.640 -0.000 0.000 0.216 398 D C 0.504 176.853 176.300 0.083 0.000 0.970 398 D CA 1.013 55.020 54.000 0.012 0.000 0.889 398 D CB 0.442 41.177 40.800 -0.108 0.000 0.912 398 D HN 0.339 nan 8.370 nan 0.000 0.524 399 G N -0.401 108.462 108.800 0.105 0.000 2.683 399 G HA2 0.294 4.254 3.960 -0.000 0.000 0.234 399 G HA3 0.294 4.254 3.960 -0.000 0.000 0.234 399 G C 0.474 175.515 174.900 0.235 0.000 1.135 399 G CA -0.015 45.176 45.100 0.153 0.000 0.975 399 G HN 0.719 nan 8.290 nan 0.000 0.511 400 G N -1.374 107.607 108.800 0.301 0.000 2.525 400 G HA2 0.547 4.507 3.960 -0.000 0.000 0.685 400 G HA3 0.547 4.507 3.960 -0.000 0.000 0.685 400 G C 0.800 175.716 174.900 0.027 0.000 1.290 400 G CA 0.637 45.912 45.100 0.291 0.000 0.915 400 G HN 2.249 nan 8.290 nan 0.000 0.548 401 G N -0.928 107.568 108.800 -0.506 0.000 2.321 401 G HA2 0.475 4.435 3.960 -0.000 0.000 0.237 401 G HA3 0.475 4.435 3.960 -0.000 0.000 0.237 401 G C 0.062 174.115 174.900 -1.412 0.000 1.282 401 G CA 1.148 45.441 45.100 -1.344 0.000 0.886 401 G HN 1.571 nan 8.290 nan 0.000 0.528 402 W N 2.552 122.402 121.300 -2.415 0.000 3.002 402 W HA 0.186 4.846 4.660 -0.000 0.000 0.346 402 W C -1.347 174.223 176.519 -1.582 0.000 1.158 402 W CA -1.321 54.871 57.345 -1.922 0.000 1.150 402 W CB 0.704 29.123 29.460 -1.735 0.000 1.446 402 W HN 0.465 nan 8.180 nan 0.000 0.564 403 W N 4.673 125.084 121.300 -1.482 0.000 1.828 403 W HA 0.138 4.798 4.660 -0.000 0.000 0.470 403 W C -0.668 175.778 176.519 -0.121 0.000 0.786 403 W CA -0.033 56.923 57.345 -0.649 0.000 1.816 403 W CB -1.056 28.063 29.460 -0.568 0.000 1.798 403 W HN 0.044 nan 8.180 nan 0.000 0.252 404 Y N 1.829 122.260 120.300 0.219 0.000 2.309 404 Y HA 0.089 4.639 4.550 -0.000 0.000 0.327 404 Y C 0.829 176.914 175.900 0.309 0.000 1.172 404 Y CA -0.594 57.718 58.100 0.353 0.000 1.280 404 Y CB 0.819 39.419 38.460 0.233 0.000 1.234 404 Y HN 0.212 nan 8.280 nan 0.000 0.512 405 N N 2.236 121.212 118.700 0.461 0.000 2.839 405 N HA 0.109 4.849 4.740 -0.000 0.000 0.230 405 N C -0.804 174.784 175.510 0.130 0.000 1.388 405 N CA -0.587 52.621 53.050 0.263 0.000 0.747 405 N CB 0.329 38.933 38.487 0.195 0.000 1.411 405 N HN 0.642 nan 8.380 nan 0.000 0.556 406 R N 1.680 122.230 120.500 0.084 0.000 3.322 406 R HA -0.241 4.099 4.340 -0.000 0.000 0.253 406 R C -0.651 175.516 176.300 -0.222 0.000 0.987 406 R CA 1.217 57.234 56.100 -0.138 0.000 0.666 406 R CB -1.896 28.337 30.300 -0.112 0.000 1.072 406 R HN 0.713 nan 8.270 nan 0.000 0.447 407 c N -1.753 116.738 118.600 -0.182 0.000 2.854 407 c HA 0.274 4.844 4.570 -0.000 0.000 0.524 407 c C 0.416 174.692 174.090 0.310 0.000 1.332 407 c CA 0.489 56.822 56.329 0.007 0.000 2.553 407 c CB 0.345 42.784 42.510 -0.118 0.000 3.360 407 c HN 0.800 nan 8.230 nan 0.000 0.541 408 H N -1.762 117.382 119.070 0.123 0.000 3.037 408 H HA 0.533 5.089 4.556 -0.000 0.000 0.336 408 H C -0.271 175.092 175.328 0.059 0.000 1.323 408 H CA 0.191 56.412 56.048 0.288 0.000 1.159 408 H CB 1.278 31.308 29.762 0.446 0.000 1.882 408 H HN -0.052 nan 8.280 nan 0.000 0.535 409 A N 1.058 124.030 122.820 0.254 0.000 2.229 409 A HA 0.655 4.975 4.320 -0.000 0.000 0.211 409 A C 0.621 178.259 177.584 0.090 0.000 1.193 409 A CA 0.588 52.648 52.037 0.038 0.000 0.879 409 A CB 0.190 19.101 19.000 -0.149 0.000 0.911 409 A HN 1.074 nan 8.150 nan 0.000 0.492 410 A N -0.164 122.818 122.820 0.270 0.000 2.465 410 A HA 0.602 4.922 4.320 -0.000 0.000 0.292 410 A C -1.214 176.150 177.584 -0.367 0.000 1.041 410 A CA -0.489 51.502 52.037 -0.078 0.000 0.718 410 A CB 0.661 19.307 19.000 -0.591 0.000 1.266 410 A HN 0.054 nan 8.150 nan 0.000 0.403 411 N N 2.745 121.127 118.700 -0.530 0.000 2.918 411 N HA 0.424 5.164 4.740 -0.000 0.000 0.270 411 N C -2.310 172.787 175.510 -0.688 0.000 1.536 411 N CA -1.985 50.522 53.050 -0.906 0.000 0.877 411 N CB 1.257 39.151 38.487 -0.989 0.000 1.190 411 N HN 0.233 nan 8.380 nan 0.000 0.492 412 P HA 0.040 nan 4.420 nan 0.000 0.226 412 P C 0.181 177.219 177.300 -0.438 0.000 1.153 412 P CA 0.877 63.678 63.100 -0.499 0.000 0.777 412 P CB 0.367 31.830 31.700 -0.395 0.000 0.794 413 N N -1.180 117.238 118.700 -0.469 0.000 2.280 413 N HA 0.095 4.835 4.740 -0.000 0.000 0.192 413 N C 1.123 176.603 175.510 -0.049 0.000 1.109 413 N CA 0.171 53.133 53.050 -0.146 0.000 0.855 413 N CB -0.322 38.178 38.487 0.022 0.000 0.974 413 N HN 0.053 nan 8.380 nan 0.000 0.482 414 G N 0.126 108.834 108.800 -0.153 0.000 2.570 414 G HA2 0.164 4.124 3.960 -0.000 0.000 0.276 414 G HA3 0.164 4.124 3.960 -0.000 0.000 0.276 414 G C 0.243 175.089 174.900 -0.090 0.000 1.346 414 G CA -0.530 44.527 45.100 -0.072 0.000 1.034 414 G HN 0.049 nan 8.290 nan 0.000 0.512 415 R N -1.183 119.237 120.500 -0.133 0.000 2.641 415 R HA 0.070 4.410 4.340 -0.000 0.000 0.269 415 R C -1.078 175.023 176.300 -0.331 0.000 1.074 415 R CA -0.376 55.580 56.100 -0.240 0.000 1.133 415 R CB 0.559 30.611 30.300 -0.413 0.000 1.029 415 R HN 0.534 nan 8.270 nan 0.000 0.488 416 Y N 1.954 122.047 120.300 -0.345 0.000 2.518 416 Y HA 0.165 4.715 4.550 -0.000 0.000 0.344 416 Y C -0.874 174.915 175.900 -0.185 0.000 0.982 416 Y CA -0.560 57.420 58.100 -0.199 0.000 1.234 416 Y CB 0.188 38.614 38.460 -0.056 0.000 1.114 416 Y HN 0.356 nan 8.280 nan 0.000 0.515 417 Y N 5.053 125.162 120.300 -0.318 0.000 2.350 417 Y HA 0.050 4.600 4.550 -0.000 0.000 0.340 417 Y C 0.189 175.835 175.900 -0.423 0.000 1.006 417 Y CA -0.765 57.156 58.100 -0.299 0.000 1.166 417 Y CB 0.373 38.579 38.460 -0.424 0.000 1.168 417 Y HN 0.596 nan 8.280 nan 0.000 0.502 418 W N 3.599 124.717 121.300 -0.304 0.000 2.181 418 W HA 0.261 4.921 4.660 -0.000 0.000 0.335 418 W C 1.024 176.796 176.519 -1.245 0.000 1.310 418 W CA 1.361 58.293 57.345 -0.688 0.000 1.226 418 W CB 0.857 30.155 29.460 -0.270 0.000 1.155 418 W HN 0.861 nan 8.180 nan 0.000 0.565 419 G N 2.815 110.045 108.800 -2.617 0.000 2.205 419 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.269 419 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.269 419 G C 1.119 174.996 174.900 -1.704 0.000 0.977 419 G CA 1.156 45.191 45.100 -1.774 0.000 0.652 419 G HN 1.806 nan 8.290 nan 0.000 0.539 420 G N -1.116 106.499 108.800 -1.975 0.000 2.855 420 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.231 420 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.231 420 G C 0.552 175.032 174.900 -0.699 0.000 1.242 420 G CA 1.165 45.593 45.100 -1.120 0.000 0.789 420 G HN 1.367 nan 8.290 nan 0.000 0.517 421 Q N 1.074 120.566 119.800 -0.512 0.000 2.247 421 Q HA 0.445 4.785 4.340 -0.000 0.000 0.288 421 Q C -0.111 175.846 176.000 -0.071 0.000 1.079 421 Q CA 0.793 56.491 55.803 -0.176 0.000 0.932 421 Q CB 0.328 28.999 28.738 -0.111 0.000 1.133 421 Q HN 0.976 nan 8.270 nan 0.000 0.377 422 Y N -1.288 118.896 120.300 -0.193 0.000 2.597 422 Y HA 0.710 5.260 4.550 -0.000 0.000 0.340 422 Y C -0.860 174.974 175.900 -0.110 0.000 1.097 422 Y CA -1.140 56.798 58.100 -0.271 0.000 1.037 422 Y CB 1.141 39.216 38.460 -0.641 0.000 1.305 422 Y HN 0.470 nan 8.280 nan 0.000 0.463 423 T N -1.260 113.110 114.554 -0.307 0.000 2.865 423 T HA 0.237 4.587 4.350 -0.000 0.000 0.294 423 T C 0.466 174.840 174.700 -0.544 0.000 1.119 423 T CA -0.415 61.340 62.100 -0.574 0.000 1.007 423 T CB 1.082 69.674 68.868 -0.460 0.000 1.225 423 T HN 1.270 nan 8.240 nan 0.000 0.515 424 W N 1.925 122.666 121.300 -0.932 0.000 2.325 424 W HA -0.158 4.502 4.660 -0.000 0.000 0.299 424 W C 0.551 176.999 176.519 -0.118 0.000 1.215 424 W CA 2.082 59.154 57.345 -0.456 0.000 1.244 424 W CB -1.361 27.831 29.460 -0.446 0.000 1.140 424 W HN 0.776 nan 8.180 nan 0.000 0.523 425 D N 0.650 120.085 120.400 -1.608 0.000 2.350 425 D HA -0.190 4.450 4.640 -0.000 0.000 0.216 425 D C 1.906 177.812 176.300 -0.657 0.000 0.968 425 D CA 1.576 54.600 54.000 -1.626 0.000 0.894 425 D CB -0.961 38.980 40.800 -1.432 0.000 0.909 425 D HN 0.324 nan 8.370 nan 0.000 0.520 426 M N 0.034 119.415 119.600 -0.364 0.000 2.657 426 M HA 0.295 4.775 4.480 -0.000 0.000 0.262 426 M C 1.120 177.457 176.300 0.061 0.000 1.213 426 M CA 0.038 55.262 55.300 -0.127 0.000 1.182 426 M CB 0.030 32.563 32.600 -0.112 0.000 1.303 426 M HN -0.045 nan 8.290 nan 0.000 0.501 427 A N 2.425 125.353 122.820 0.179 0.000 2.592 427 A HA -0.128 4.192 4.320 -0.000 0.000 0.250 427 A C 1.357 179.065 177.584 0.207 0.000 1.017 427 A CA 0.667 52.901 52.037 0.329 0.000 0.794 427 A CB -0.170 19.092 19.000 0.436 0.000 0.917 427 A HN 0.523 nan 8.150 nan 0.000 0.515 428 K N 1.485 122.010 120.400 0.209 0.000 2.103 428 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 428 K C 0.673 177.217 176.600 -0.093 0.000 1.048 428 K CA 1.869 58.187 56.287 0.051 0.000 0.930 428 K CB -0.131 32.411 32.500 0.070 0.000 0.716 428 K HN 0.920 nan 8.250 nan 0.000 0.444 429 H N -2.024 117.133 119.070 0.145 0.000 2.528 429 H HA 0.165 4.721 4.556 -0.000 0.000 0.282 429 H C 0.897 176.348 175.328 0.205 0.000 1.097 429 H CA 0.456 56.593 56.048 0.149 0.000 1.121 429 H CB 1.438 31.279 29.762 0.130 0.000 1.590 429 H HN 0.549 nan 8.280 nan 0.000 0.553 430 G N 1.471 110.465 108.800 0.323 0.000 2.336 430 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.233 430 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.233 430 G C 0.992 176.178 174.900 0.477 0.000 1.053 430 G CA 0.567 45.908 45.100 0.403 0.000 0.625 430 G HN 0.543 nan 8.290 nan 0.000 0.511 431 T N -0.001 114.782 114.554 0.383 0.000 2.770 431 T HA 0.461 4.811 4.350 -0.000 0.000 0.281 431 T C 0.493 175.360 174.700 0.277 0.000 0.981 431 T CA 0.587 62.867 62.100 0.300 0.000 0.955 431 T CB 1.179 70.147 68.868 0.167 0.000 1.060 431 T HN 0.554 nan 8.240 nan 0.000 0.531 432 D N 0.957 121.346 120.400 -0.018 0.000 2.767 432 D HA 0.067 4.707 4.640 -0.000 0.000 0.231 432 D C 0.087 176.530 176.300 0.239 0.000 1.105 432 D CA -0.542 53.390 54.000 -0.113 0.000 1.024 432 D CB -0.864 39.597 40.800 -0.565 0.000 1.123 432 D HN 0.669 nan 8.370 nan 0.000 0.470 433 D N -0.249 120.339 120.400 0.313 0.000 2.360 433 D HA 0.390 5.030 4.640 -0.000 0.000 0.242 433 D C 1.002 177.446 176.300 0.239 0.000 1.184 433 D CA 0.157 54.297 54.000 0.234 0.000 0.930 433 D CB 0.902 41.844 40.800 0.236 0.000 1.161 433 D HN 0.448 nan 8.370 nan 0.000 0.447 434 G N -1.277 107.547 108.800 0.040 0.000 2.566 434 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.599 434 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.599 434 G C -0.957 173.899 174.900 -0.073 0.000 1.292 434 G CA -0.300 44.741 45.100 -0.098 0.000 0.922 434 G HN 0.763 nan 8.290 nan 0.000 0.514 435 V N 1.269 121.147 119.914 -0.061 0.000 2.258 435 V HA 0.499 4.619 4.120 -0.000 0.000 0.258 435 V C 0.448 176.618 176.094 0.127 0.000 1.121 435 V CA -0.108 62.183 62.300 -0.015 0.000 0.942 435 V CB 0.271 32.090 31.823 -0.008 0.000 1.170 435 V HN 0.930 nan 8.190 nan 0.000 0.487 436 V N 2.202 122.194 119.914 0.131 0.000 2.962 436 V HA 0.508 4.628 4.120 -0.000 0.000 0.313 436 V C -0.692 175.602 176.094 0.333 0.000 1.099 436 V CA -0.868 61.600 62.300 0.281 0.000 0.971 436 V CB 3.000 34.995 31.823 0.286 0.000 1.028 436 V HN 0.807 nan 8.190 nan 0.000 0.430 437 W N 4.482 125.902 121.300 0.201 0.000 2.319 437 W HA 0.366 5.026 4.660 -0.000 0.000 0.288 437 W C 0.738 177.386 176.519 0.215 0.000 0.959 437 W CA -0.668 56.800 57.345 0.205 0.000 1.784 437 W CB 1.489 31.092 29.460 0.238 0.000 1.848 437 W HN 0.722 nan 8.180 nan 0.000 0.408 438 M N 1.240 120.919 119.600 0.132 0.000 2.153 438 M HA -0.360 4.120 4.480 -0.000 0.000 0.253 438 M C 1.404 177.764 176.300 0.100 0.000 1.081 438 M CA 2.159 57.500 55.300 0.069 0.000 1.076 438 M CB -0.329 32.248 32.600 -0.038 0.000 1.350 438 M HN 0.326 nan 8.290 nan 0.000 0.401 439 N N -1.672 117.081 118.700 0.088 0.000 2.512 439 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 439 N C 1.289 177.035 175.510 0.393 0.000 1.073 439 N CA 0.700 53.853 53.050 0.172 0.000 0.911 439 N CB 0.039 38.584 38.487 0.098 0.000 0.964 439 N HN 0.471 nan 8.380 nan 0.000 0.447 440 W N 1.172 122.644 121.300 0.285 0.000 2.850 440 W HA 0.240 4.900 4.660 -0.000 0.000 0.260 440 W C 1.358 177.924 176.519 0.078 0.000 1.129 440 W CA 0.731 58.195 57.345 0.198 0.000 1.587 440 W CB 0.429 30.023 29.460 0.223 0.000 1.041 440 W HN -0.313 nan 8.180 nan 0.000 0.614 441 K N -0.210 120.220 120.400 0.051 0.000 2.481 441 K HA 0.356 4.676 4.320 -0.000 0.000 0.210 441 K C 0.289 176.879 176.600 -0.017 0.000 1.161 441 K CA 0.777 56.931 56.287 -0.223 0.000 1.023 441 K CB 0.936 33.178 32.500 -0.431 0.000 0.971 441 K HN 0.083 nan 8.250 nan 0.000 0.577 442 G N 1.187 110.027 108.800 0.066 0.000 2.705 442 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 442 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 442 G C 0.572 175.476 174.900 0.007 0.000 1.285 442 G CA -0.064 45.059 45.100 0.038 0.000 0.800 442 G HN -0.055 nan 8.290 nan 0.000 0.611 443 S N -0.164 115.411 115.700 -0.209 0.000 2.428 443 S HA -0.179 4.291 4.470 -0.000 0.000 0.240 443 S C 1.185 175.425 174.600 -0.601 0.000 1.036 443 S CA 2.621 60.521 58.200 -0.499 0.000 1.009 443 S CB -0.211 62.362 63.200 -1.045 0.000 0.803 443 S HN 0.528 nan 8.310 nan 0.000 0.486 444 W N 0.230 121.457 121.300 -0.122 0.000 2.564 444 W HA 0.480 5.140 4.660 -0.000 0.000 0.414 444 W C -0.415 176.030 176.519 -0.123 0.000 0.700 444 W CA -0.787 56.235 57.345 -0.538 0.000 2.430 444 W CB 0.037 29.245 29.460 -0.419 0.000 1.529 444 W HN 0.113 nan 8.180 nan 0.000 0.795 445 Y N 1.131 121.603 120.300 0.286 0.000 2.307 445 Y HA 0.366 4.916 4.550 -0.000 0.000 0.323 445 Y C -0.070 176.094 175.900 0.439 0.000 1.100 445 Y CA -1.243 57.067 58.100 0.351 0.000 1.140 445 Y CB 1.054 39.602 38.460 0.147 0.000 1.159 445 Y HN -0.162 nan 8.280 nan 0.000 0.436 446 S N 6.516 122.279 115.700 0.105 0.000 2.565 446 S HA 0.534 5.004 4.470 -0.000 0.000 0.276 446 S C 0.043 174.711 174.600 0.113 0.000 1.326 446 S CA -0.724 57.508 58.200 0.053 0.000 1.045 446 S CB 0.282 63.438 63.200 -0.073 0.000 0.918 446 S HN 0.651 nan 8.310 nan 0.000 0.505 447 M N 3.324 123.047 119.600 0.206 0.000 2.219 447 M HA 0.392 4.872 4.480 -0.000 0.000 0.280 447 M C 1.457 177.626 176.300 -0.218 0.000 1.189 447 M CA -0.191 55.219 55.300 0.184 0.000 1.010 447 M CB 0.200 32.909 32.600 0.182 0.000 1.422 447 M HN 0.884 nan 8.290 nan 0.000 0.504 448 R N 0.046 120.180 120.500 -0.610 0.000 2.167 448 R HA 0.108 4.448 4.340 -0.000 0.000 0.201 448 R C -0.248 175.857 176.300 -0.325 0.000 1.024 448 R CA 0.758 56.246 56.100 -1.019 0.000 1.053 448 R CB 0.673 30.085 30.300 -1.480 0.000 0.987 448 R HN 0.391 nan 8.270 nan 0.000 0.493 449 K N 0.841 121.099 120.400 -0.237 0.000 2.324 449 K HA 0.320 4.640 4.320 -0.000 0.000 0.253 449 K C -1.303 175.217 176.600 -0.133 0.000 0.932 449 K CA -0.696 55.489 56.287 -0.170 0.000 0.799 449 K CB 2.116 34.502 32.500 -0.191 0.000 1.154 449 K HN 0.019 nan 8.250 nan 0.000 0.425 450 M N 1.129 120.645 119.600 -0.141 0.000 2.322 450 M HA 0.289 4.769 4.480 -0.000 0.000 0.286 450 M C -1.653 174.551 176.300 -0.160 0.000 1.111 450 M CA -0.063 55.150 55.300 -0.145 0.000 0.941 450 M CB 2.086 34.623 32.600 -0.104 0.000 1.671 450 M HN 0.648 nan 8.290 nan 0.000 0.470 451 S N 4.893 120.491 115.700 -0.170 0.000 2.548 451 S HA 0.893 5.363 4.470 -0.000 0.000 0.276 451 S C -1.072 173.449 174.600 -0.132 0.000 1.129 451 S CA -0.914 57.189 58.200 -0.162 0.000 0.931 451 S CB 1.508 64.588 63.200 -0.199 0.000 1.068 451 S HN 0.802 nan 8.310 nan 0.000 0.480 452 M N 3.131 122.691 119.600 -0.067 0.000 2.393 452 M HA 0.614 5.094 4.480 -0.000 0.000 0.316 452 M C -0.625 175.664 176.300 -0.019 0.000 1.087 452 M CA -0.450 54.832 55.300 -0.029 0.000 0.937 452 M CB 2.429 35.086 32.600 0.094 0.000 1.668 452 M HN 0.898 nan 8.290 nan 0.000 0.438 453 K N 3.109 123.501 120.400 -0.013 0.000 2.536 453 K HA 0.878 5.198 4.320 -0.000 0.000 0.269 453 K C -1.428 175.339 176.600 0.280 0.000 0.965 453 K CA -0.958 55.400 56.287 0.118 0.000 0.860 453 K CB 2.490 35.036 32.500 0.077 0.000 1.423 453 K HN 0.850 nan 8.250 nan 0.000 0.438 454 I N -2.389 118.459 120.570 0.463 0.000 3.343 454 I HA 0.725 4.895 4.170 -0.000 0.000 0.315 454 I C -1.384 174.943 176.117 0.351 0.000 1.153 454 I CA -1.237 60.365 61.300 0.503 0.000 0.952 454 I CB 2.626 40.819 38.000 0.321 0.000 1.287 454 I HN 0.856 nan 8.210 nan 0.000 0.472 455 R N 1.384 121.935 120.500 0.085 0.000 2.739 455 R HA 0.462 4.802 4.340 -0.000 0.000 0.266 455 R C -3.066 173.114 176.300 -0.199 0.000 1.044 455 R CA -1.026 54.930 56.100 -0.240 0.000 0.885 455 R CB 2.460 32.256 30.300 -0.841 0.000 1.260 455 R HN 0.424 nan 8.270 nan 0.000 0.477 456 P HA 0.083 nan 4.420 nan 0.000 0.271 456 P C -0.707 176.269 177.300 -0.539 0.000 1.233 456 P CA -0.226 62.656 63.100 -0.365 0.000 0.789 456 P CB 0.339 31.850 31.700 -0.315 0.000 0.951 457 F N 1.833 121.083 119.950 -1.166 0.000 2.637 457 F HA 0.476 5.003 4.527 -0.000 0.000 0.187 457 F C 0.192 175.362 175.800 -1.049 0.000 1.055 457 F CA -0.586 56.894 58.000 -0.867 0.000 0.977 457 F CB -0.726 38.026 39.000 -0.413 0.000 2.212 457 F HN 0.312 nan 8.300 nan 0.000 0.645 458 F N 0.000 119.861 119.950 -0.149 0.000 2.286 458 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 458 F CA 0.000 57.843 58.000 -0.261 0.000 1.383 458 F CB 0.000 38.941 39.000 -0.099 0.000 1.145 458 F HN 0.000 nan 8.300 nan 0.000 0.574