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 1efd_1_N DATA FIRST_RESID 32 DATA SEQUENCE GIDPNRIVAL EWLPVELLLA LGIVPYGVAD TINYRLWVSE PPLPDSVIDV DATA SEQUENCE GLRTEPNLEL LTEMKPSFMV WSAGYGPSPE MLARIAPGRG FNFSDGKQPL DATA SEQUENCE AMARKSLTEM ADLLNLQSAA ETHLAQYEDF IRSMKPRFVK RGARPLLLTT DATA SEQUENCE LIDPRHMLVF GPNSLFQEIL DEYGIPNAWQ GETNFWGSTA VSIDRLAAYK DATA SEQUENCE DVDVLCFDHD NSKDMDALMA TPLWQAMPFV RAGRFQRVPA VWFYGATLSA DATA SEQUENCE MHFVRVLDNA IG 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 32 G HA2 0.000 nan 3.960 nan 0.000 0.244 32 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 32 G C 0.000 174.772 174.900 -0.214 0.000 0.946 32 G CA 0.000 44.639 45.100 -0.769 0.000 0.502 33 I N 0.664 121.163 120.570 -0.118 0.000 4.721 33 I HA -0.293 3.877 4.170 -0.000 0.000 0.070 33 I C 1.109 177.201 176.117 -0.042 0.000 0.647 33 I CA 2.297 63.565 61.300 -0.054 0.000 0.510 33 I CB 0.134 38.129 38.000 -0.008 0.000 0.472 33 I HN 0.325 nan 8.210 nan 0.000 0.184 34 D N 1.731 122.122 120.400 -0.016 0.000 2.349 34 D HA 0.058 4.698 4.640 -0.000 0.000 0.266 34 D C -1.636 174.647 176.300 -0.027 0.000 1.293 34 D CA -1.541 52.441 54.000 -0.029 0.000 0.926 34 D CB 0.802 41.577 40.800 -0.042 0.000 1.090 34 D HN 0.240 nan 8.370 nan 0.000 0.502 35 P HA -0.069 nan 4.420 nan 0.000 0.234 35 P C 0.135 177.421 177.300 -0.023 0.000 1.167 35 P CA 0.683 63.767 63.100 -0.026 0.000 0.763 35 P CB 0.304 31.984 31.700 -0.033 0.000 0.835 36 N N -0.468 118.199 118.700 -0.055 0.000 2.236 36 N HA 0.134 4.874 4.740 -0.000 0.000 0.196 36 N C 0.909 176.311 175.510 -0.181 0.000 1.114 36 N CA -0.154 52.847 53.050 -0.083 0.000 0.859 36 N CB 0.246 38.674 38.487 -0.099 0.000 0.982 36 N HN -0.015 nan 8.380 nan 0.000 0.493 37 R N 0.901 121.306 120.500 -0.159 0.000 2.727 37 R HA 0.253 4.593 4.340 -0.000 0.000 0.410 37 R C -0.857 175.538 176.300 0.158 0.000 1.101 37 R CA -0.279 55.665 56.100 -0.261 0.000 1.045 37 R CB 0.572 30.664 30.300 -0.346 0.000 1.380 37 R HN 0.058 nan 8.270 nan 0.000 0.587 38 I N 1.627 122.320 120.570 0.206 0.000 2.342 38 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 38 I C 0.412 176.689 176.117 0.267 0.000 1.010 38 I CA -0.814 60.639 61.300 0.255 0.000 1.308 38 I CB 1.434 39.551 38.000 0.196 0.000 1.400 38 I HN -0.215 nan 8.210 nan 0.000 0.488 39 V N 5.810 125.870 119.914 0.243 0.000 2.398 39 V HA 0.599 4.719 4.120 -0.000 0.000 0.286 39 V C 0.469 176.657 176.094 0.157 0.000 1.026 39 V CA -0.712 61.684 62.300 0.160 0.000 0.868 39 V CB 1.566 33.454 31.823 0.108 0.000 0.982 39 V HN 0.878 nan 8.190 nan 0.000 0.443 40 A N 5.407 128.303 122.820 0.126 0.000 2.249 40 A HA 0.688 5.008 4.320 -0.000 0.000 0.314 40 A C 0.414 178.086 177.584 0.146 0.000 1.290 40 A CA -0.406 51.717 52.037 0.145 0.000 0.893 40 A CB 0.478 19.545 19.000 0.112 0.000 1.165 40 A HN 0.897 nan 8.150 nan 0.000 0.530 41 L N 0.850 122.188 121.223 0.192 0.000 2.592 41 L HA 0.255 4.595 4.340 -0.000 0.000 0.227 41 L C 0.691 177.629 176.870 0.113 0.000 1.127 41 L CA 0.484 55.416 54.840 0.154 0.000 0.884 41 L CB 0.047 42.212 42.059 0.177 0.000 1.065 41 L HN 0.654 nan 8.230 nan 0.000 0.457 42 E N -1.283 118.991 120.200 0.122 0.000 2.413 42 E HA 0.092 4.442 4.350 -0.000 0.000 0.277 42 E C -0.664 176.003 176.600 0.112 0.000 0.958 42 E CA -0.542 55.841 56.400 -0.029 0.000 0.779 42 E CB 1.394 31.126 29.700 0.053 0.000 1.278 42 E HN -0.061 nan 8.360 nan 0.000 0.456 43 W N 2.060 123.368 121.300 0.012 0.000 2.595 43 W HA 0.022 4.681 4.660 -0.001 0.000 0.257 43 W C 1.768 178.372 176.519 0.142 0.000 1.267 43 W CA -0.008 57.346 57.345 0.015 0.000 1.300 43 W CB -0.654 28.616 29.460 -0.318 0.000 1.120 43 W HN 0.462 nan 8.180 nan 0.000 0.618 44 L N 2.058 123.529 121.223 0.413 0.000 1.988 44 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 44 L C -0.178 176.813 176.870 0.201 0.000 1.071 44 L CA 1.819 56.890 54.840 0.384 0.000 0.744 44 L CB -1.608 40.697 42.059 0.410 0.000 0.893 44 L HN -0.214 nan 8.230 nan 0.000 0.433 45 P HA -0.083 nan 4.420 nan 0.000 0.226 45 P C 1.867 179.160 177.300 -0.013 0.000 1.153 45 P CA 0.862 63.925 63.100 -0.061 0.000 0.777 45 P CB 0.125 31.777 31.700 -0.079 0.000 0.794 46 V N 1.220 121.193 119.914 0.098 0.000 2.295 46 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 46 V C 2.777 178.900 176.094 0.048 0.000 1.049 46 V CA 2.141 64.487 62.300 0.077 0.000 1.024 46 V CB -1.205 30.697 31.823 0.133 0.000 0.648 46 V HN 0.188 nan 8.190 nan 0.000 0.447 47 E N -0.117 120.145 120.200 0.104 0.000 2.110 47 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 47 E C 2.180 178.766 176.600 -0.025 0.000 0.988 47 E CA 1.251 57.698 56.400 0.078 0.000 0.804 47 E CB -0.110 29.683 29.700 0.154 0.000 0.745 47 E HN 0.587 nan 8.360 nan 0.000 0.458 48 L N 0.387 121.565 121.223 -0.074 0.000 2.093 48 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 48 L C 2.508 179.279 176.870 -0.165 0.000 1.085 48 L CA 0.668 55.406 54.840 -0.170 0.000 0.755 48 L CB -0.320 41.559 42.059 -0.299 0.000 0.904 48 L HN 0.247 nan 8.230 nan 0.000 0.435 49 L N -0.954 120.196 121.223 -0.121 0.000 2.027 49 L HA -0.221 4.119 4.340 -0.000 0.000 0.206 49 L C 2.509 179.333 176.870 -0.077 0.000 1.074 49 L CA 0.737 55.525 54.840 -0.086 0.000 0.745 49 L CB -0.441 41.592 42.059 -0.043 0.000 0.898 49 L HN 0.215 nan 8.230 nan 0.000 0.433 50 L N 0.141 121.326 121.223 -0.063 0.000 2.083 50 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 50 L C 2.758 179.579 176.870 -0.082 0.000 1.083 50 L CA 1.982 56.791 54.840 -0.053 0.000 0.752 50 L CB -1.390 40.656 42.059 -0.023 0.000 0.899 50 L HN 0.180 nan 8.230 nan 0.000 0.433 51 A N -1.254 121.473 122.820 -0.156 0.000 2.015 51 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 51 A C 2.079 179.513 177.584 -0.249 0.000 1.163 51 A CA 1.113 52.960 52.037 -0.316 0.000 0.646 51 A CB -0.539 18.052 19.000 -0.683 0.000 0.806 51 A HN 0.413 nan 8.150 nan 0.000 0.448 52 L N -1.329 119.796 121.223 -0.163 0.000 2.611 52 L HA 0.241 4.581 4.340 -0.000 0.000 0.229 52 L C 1.537 178.376 176.870 -0.052 0.000 1.137 52 L CA 0.438 55.221 54.840 -0.095 0.000 0.901 52 L CB -0.133 41.873 42.059 -0.089 0.000 1.098 52 L HN 0.543 nan 8.230 nan 0.000 0.456 53 G N 1.016 109.787 108.800 -0.047 0.000 2.148 53 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 53 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 53 G C 0.068 174.953 174.900 -0.026 0.000 0.981 53 G CA -0.122 44.962 45.100 -0.027 0.000 0.670 53 G HN 0.256 nan 8.290 nan 0.000 0.528 54 I N 0.567 121.118 120.570 -0.032 0.000 2.472 54 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 54 I C 0.697 176.804 176.117 -0.016 0.000 1.016 54 I CA -0.614 60.673 61.300 -0.021 0.000 1.348 54 I CB 1.816 39.804 38.000 -0.020 0.000 1.417 54 I HN -0.074 nan 8.210 nan 0.000 0.521 55 V N 7.996 127.907 119.914 -0.005 0.000 2.333 55 V HA 0.284 4.404 4.120 -0.000 0.000 0.274 55 V C -2.134 173.975 176.094 0.025 0.000 1.028 55 V CA -1.756 60.544 62.300 -0.001 0.000 0.851 55 V CB 0.628 32.453 31.823 0.002 0.000 1.000 55 V HN 0.607 nan 8.190 nan 0.000 0.456 56 P HA -0.031 nan 4.420 nan 0.000 0.264 56 P C 0.141 177.512 177.300 0.119 0.000 1.193 56 P CA 0.113 63.248 63.100 0.059 0.000 0.763 56 P CB 0.409 32.114 31.700 0.009 0.000 0.810 57 Y N 4.137 124.442 120.300 0.009 0.000 2.200 57 Y HA 0.115 4.665 4.550 0.000 0.000 0.290 57 Y C 0.928 176.832 175.900 0.008 0.000 1.137 57 Y CA 1.699 59.806 58.100 0.012 0.000 1.163 57 Y CB -0.415 38.063 38.460 0.030 0.000 0.988 57 Y HN 0.378 nan 8.280 nan 0.000 0.518 58 G N -0.541 108.250 108.800 -0.014 0.000 2.659 58 G HA2 0.570 4.530 3.960 -0.000 0.000 0.296 58 G HA3 0.570 4.530 3.960 -0.000 0.000 0.296 58 G C -2.209 172.672 174.900 -0.032 0.000 1.369 58 G CA -0.455 44.570 45.100 -0.125 0.000 0.937 58 G HN -0.011 nan 8.290 nan 0.000 0.485 59 V N 0.431 120.323 119.914 -0.037 0.000 2.733 59 V HA 0.704 4.824 4.120 -0.000 0.000 0.306 59 V C 0.341 176.459 176.094 0.041 0.000 1.084 59 V CA -0.823 61.480 62.300 0.004 0.000 0.905 59 V CB 1.686 33.470 31.823 -0.065 0.000 1.010 59 V HN 1.299 nan 8.190 nan 0.000 0.424 60 A N 2.832 125.708 122.820 0.094 0.000 2.409 60 A HA 0.563 4.883 4.320 -0.000 0.000 0.262 60 A C 0.466 178.185 177.584 0.226 0.000 1.113 60 A CA 0.300 52.396 52.037 0.099 0.000 0.790 60 A CB -0.101 18.929 19.000 0.050 0.000 1.046 60 A HN 1.214 nan 8.150 nan 0.000 0.496 61 D N 1.910 122.421 120.400 0.185 0.000 2.956 61 D HA -0.146 4.494 4.640 -0.000 0.000 0.240 61 D C 1.243 177.743 176.300 0.335 0.000 1.141 61 D CA 1.392 55.559 54.000 0.278 0.000 0.820 61 D CB -1.052 39.958 40.800 0.350 0.000 0.988 61 D HN 0.878 nan 8.370 nan 0.000 0.417 62 T N -2.078 112.565 114.554 0.147 0.000 2.951 62 T HA -0.081 4.268 4.350 -0.000 0.000 0.268 62 T C 2.291 177.034 174.700 0.071 0.000 1.073 62 T CA 0.685 62.811 62.100 0.044 0.000 1.134 62 T CB 0.118 68.966 68.868 -0.033 0.000 0.884 62 T HN 0.357 nan 8.240 nan 0.000 0.479 63 I N 2.798 123.428 120.570 0.099 0.000 2.113 63 I HA -0.118 4.052 4.170 -0.000 0.000 0.238 63 I C 2.340 178.522 176.117 0.108 0.000 1.070 63 I CA 1.291 62.645 61.300 0.090 0.000 1.332 63 I CB -1.279 36.778 38.000 0.096 0.000 1.044 63 I HN 0.301 nan 8.210 nan 0.000 0.402 64 N N 0.057 118.876 118.700 0.199 0.000 2.396 64 N HA -0.190 4.550 4.740 -0.000 0.000 0.180 64 N C 1.874 177.347 175.510 -0.061 0.000 1.028 64 N CA 0.642 53.851 53.050 0.266 0.000 0.893 64 N CB -0.354 38.443 38.487 0.517 0.000 0.967 64 N HN 0.431 nan 8.380 nan 0.000 0.440 65 Y N 2.249 122.250 120.300 -0.498 0.000 2.165 65 Y HA -0.141 4.408 4.550 -0.000 0.000 0.286 65 Y C 2.306 177.832 175.900 -0.622 0.000 1.155 65 Y CA 1.563 58.943 58.100 -1.200 0.000 1.164 65 Y CB 0.010 37.890 38.460 -0.966 0.000 0.978 65 Y HN -0.082 nan 8.280 nan 0.000 0.513 66 R N -0.099 120.322 120.500 -0.132 0.000 2.120 66 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 66 R C 2.099 178.295 176.300 -0.173 0.000 1.123 66 R CA 1.769 57.809 56.100 -0.100 0.000 0.975 66 R CB -0.345 29.949 30.300 -0.010 0.000 0.866 66 R HN 0.426 nan 8.270 nan 0.000 0.446 67 L N -2.051 119.079 121.223 -0.154 0.000 2.162 67 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 67 L C 1.780 178.462 176.870 -0.312 0.000 1.086 67 L CA 0.955 55.677 54.840 -0.197 0.000 0.778 67 L CB -0.308 41.653 42.059 -0.163 0.000 0.928 67 L HN 0.218 nan 8.230 nan 0.000 0.446 68 W N -1.153 119.959 121.300 -0.314 0.000 2.640 68 W HA 0.089 4.749 4.660 -0.001 0.000 0.271 68 W C 2.220 178.460 176.519 -0.466 0.000 1.218 68 W CA 0.176 57.338 57.345 -0.305 0.000 1.382 68 W CB -0.233 29.073 29.460 -0.256 0.000 1.067 68 W HN -0.256 nan 8.180 nan 0.000 0.590 69 V N -0.850 118.662 119.914 -0.670 0.000 2.581 69 V HA -0.098 4.021 4.120 -0.000 0.000 0.240 69 V C 1.988 177.790 176.094 -0.486 0.000 1.054 69 V CA 1.460 63.313 62.300 -0.744 0.000 1.076 69 V CB -0.488 30.371 31.823 -1.607 0.000 0.748 69 V HN 0.261 nan 8.190 nan 0.000 0.474 70 S N -0.612 114.734 115.700 -0.590 0.000 1.887 70 S HA -0.366 4.104 4.470 -0.000 0.000 0.215 70 S C 1.030 175.539 174.600 -0.152 0.000 0.989 70 S CA 2.107 60.152 58.200 -0.258 0.000 1.659 70 S CB -1.134 62.003 63.200 -0.106 0.000 2.260 70 S HN 0.671 nan 8.310 nan 0.000 0.556 71 E N 2.440 122.546 120.200 -0.157 0.000 3.787 71 E HA 0.254 4.604 4.350 -0.000 0.000 0.418 71 E C -2.206 174.369 176.600 -0.042 0.000 1.529 71 E CA 0.180 56.472 56.400 -0.179 0.000 2.366 71 E CB -0.603 28.893 29.700 -0.340 0.000 1.118 71 E HN 0.342 nan 8.360 nan 0.000 0.671 72 P HA -0.176 nan 4.420 nan 0.000 0.021 72 P C -2.439 174.920 177.300 0.099 0.000 0.493 72 P CA 0.237 63.361 63.100 0.040 0.000 1.034 72 P CB -0.891 30.855 31.700 0.075 0.000 1.880 73 P HA -0.038 nan 4.420 nan 0.000 0.267 73 P C -0.057 177.232 177.300 -0.018 0.000 1.200 73 P CA 0.457 63.590 63.100 0.055 0.000 0.772 73 P CB 0.864 32.568 31.700 0.008 0.000 0.855 74 L N 4.688 125.856 121.223 -0.092 0.000 2.276 74 L HA 0.314 4.654 4.340 -0.000 0.000 0.286 74 L C -1.350 175.462 176.870 -0.096 0.000 1.061 74 L CA -2.127 52.610 54.840 -0.172 0.000 0.807 74 L CB 0.474 42.328 42.059 -0.342 0.000 1.177 74 L HN 0.299 nan 8.230 nan 0.000 0.429 75 P HA -0.039 nan 4.420 nan 0.000 0.267 75 P C -0.178 177.097 177.300 -0.041 0.000 1.201 75 P CA -0.229 62.846 63.100 -0.043 0.000 0.775 75 P CB 0.986 32.668 31.700 -0.030 0.000 0.854 76 D N 0.476 120.860 120.400 -0.027 0.000 2.218 76 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 76 D C 1.921 178.210 176.300 -0.017 0.000 0.976 76 D CA 1.640 55.627 54.000 -0.023 0.000 0.853 76 D CB -0.249 40.542 40.800 -0.014 0.000 0.939 76 D HN 0.490 nan 8.370 nan 0.000 0.481 77 S N 0.161 115.855 115.700 -0.009 0.000 2.400 77 S HA -0.104 4.366 4.470 -0.000 0.000 0.232 77 S C 1.277 175.880 174.600 0.006 0.000 1.025 77 S CA 0.149 58.353 58.200 0.006 0.000 0.993 77 S CB -0.612 62.599 63.200 0.018 0.000 0.808 77 S HN -0.010 nan 8.310 nan 0.000 0.478 78 V N 2.853 122.758 119.914 -0.015 0.000 2.644 78 V HA 0.056 4.176 4.120 -0.000 0.000 0.305 78 V C 0.460 176.526 176.094 -0.046 0.000 1.053 78 V CA 0.354 62.636 62.300 -0.030 0.000 1.186 78 V CB -0.423 31.358 31.823 -0.071 0.000 0.895 78 V HN 0.447 nan 8.190 nan 0.000 0.490 79 I N 4.449 124.975 120.570 -0.072 0.000 2.371 79 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 79 I C 0.533 176.596 176.117 -0.090 0.000 1.028 79 I CA -0.122 61.119 61.300 -0.099 0.000 1.345 79 I CB 0.938 38.825 38.000 -0.189 0.000 1.407 79 I HN 0.630 nan 8.210 nan 0.000 0.501 80 D N 6.645 127.009 120.400 -0.059 0.000 2.343 80 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 80 D C 0.614 176.890 176.300 -0.039 0.000 1.187 80 D CA -0.161 53.819 54.000 -0.033 0.000 0.875 80 D CB 1.631 42.424 40.800 -0.010 0.000 1.136 80 D HN 0.368 nan 8.370 nan 0.000 0.469 81 V N 1.752 121.647 119.914 -0.032 0.000 3.342 81 V HA 0.517 4.637 4.120 -0.000 0.000 0.322 81 V C 0.904 176.987 176.094 -0.018 0.000 1.370 81 V CA 0.464 62.741 62.300 -0.038 0.000 1.170 81 V CB -0.585 31.209 31.823 -0.048 0.000 1.101 81 V HN 0.793 nan 8.190 nan 0.000 0.442 82 G N 0.388 109.188 108.800 -0.000 0.000 2.610 82 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.304 82 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.304 82 G C -0.655 174.256 174.900 0.018 0.000 1.309 82 G CA -0.473 44.630 45.100 0.005 0.000 0.906 82 G HN 0.496 nan 8.290 nan 0.000 0.521 83 L N 0.327 121.552 121.223 0.004 0.000 2.461 83 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 83 L C 2.171 179.022 176.870 -0.031 0.000 1.197 83 L CA -0.271 54.565 54.840 -0.006 0.000 0.836 83 L CB 0.561 42.607 42.059 -0.023 0.000 1.105 83 L HN 0.727 nan 8.230 nan 0.000 0.477 84 R N 0.140 120.605 120.500 -0.058 0.000 2.152 84 R HA -0.121 4.218 4.340 -0.000 0.000 0.232 84 R C 1.965 178.249 176.300 -0.026 0.000 1.117 84 R CA 1.671 57.748 56.100 -0.037 0.000 0.981 84 R CB -0.469 29.769 30.300 -0.104 0.000 0.870 84 R HN 0.865 nan 8.270 nan 0.000 0.451 85 T N -3.367 111.133 114.554 -0.089 0.000 3.067 85 T HA 0.108 4.458 4.350 -0.000 0.000 0.257 85 T C 0.940 175.554 174.700 -0.143 0.000 1.105 85 T CA 0.984 62.975 62.100 -0.182 0.000 1.104 85 T CB 0.350 69.086 68.868 -0.220 0.000 0.925 85 T HN 0.310 nan 8.240 nan 0.000 0.498 86 E N 1.799 121.940 120.200 -0.098 0.000 3.832 86 E HA 0.448 4.798 4.350 -0.000 0.000 0.250 86 E C -3.013 173.549 176.600 -0.063 0.000 1.215 86 E CA -1.850 54.500 56.400 -0.084 0.000 1.179 86 E CB -0.034 29.623 29.700 -0.071 0.000 1.270 86 E HN 0.503 nan 8.360 nan 0.000 0.405 87 P HA 0.055 nan 4.420 nan 0.000 0.269 87 P C -0.254 177.016 177.300 -0.049 0.000 1.209 87 P CA -0.404 62.667 63.100 -0.049 0.000 0.776 87 P CB 0.746 32.416 31.700 -0.050 0.000 0.876 88 N N 2.597 121.273 118.700 -0.040 0.000 2.410 88 N HA -0.002 4.738 4.740 -0.000 0.000 0.281 88 N C 1.280 176.765 175.510 -0.042 0.000 1.241 88 N CA 0.140 53.167 53.050 -0.038 0.000 0.998 88 N CB -0.451 38.016 38.487 -0.033 0.000 1.376 88 N HN 0.351 nan 8.380 nan 0.000 0.490 89 L N 1.513 122.708 121.223 -0.046 0.000 2.191 89 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 89 L C 2.119 178.968 176.870 -0.035 0.000 1.103 89 L CA 1.004 55.816 54.840 -0.047 0.000 0.769 89 L CB -0.245 41.782 42.059 -0.054 0.000 0.908 89 L HN 0.474 nan 8.230 nan 0.000 0.438 90 E N 1.196 121.378 120.200 -0.031 0.000 2.047 90 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 90 E C 2.224 178.811 176.600 -0.022 0.000 0.987 90 E CA 1.323 57.709 56.400 -0.023 0.000 0.799 90 E CB -0.335 29.352 29.700 -0.021 0.000 0.752 90 E HN 0.357 nan 8.360 nan 0.000 0.449 91 L N 0.176 121.381 121.223 -0.029 0.000 1.994 91 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 91 L C 2.504 179.351 176.870 -0.038 0.000 1.071 91 L CA 1.544 56.363 54.840 -0.036 0.000 0.745 91 L CB -0.364 41.667 42.059 -0.047 0.000 0.892 91 L HN 0.323 nan 8.230 nan 0.000 0.431 92 L N -0.732 120.468 121.223 -0.039 0.000 2.043 92 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 92 L C 2.495 179.364 176.870 -0.001 0.000 1.075 92 L CA 1.956 56.778 54.840 -0.029 0.000 0.752 92 L CB -0.964 41.079 42.059 -0.027 0.000 0.891 92 L HN 0.319 nan 8.230 nan 0.000 0.432 93 T N -0.829 113.723 114.554 -0.004 0.000 2.746 93 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 93 T C 1.729 176.442 174.700 0.021 0.000 1.039 93 T CA 1.402 63.506 62.100 0.008 0.000 1.142 93 T CB -0.152 68.714 68.868 -0.002 0.000 0.866 93 T HN 0.434 nan 8.240 nan 0.000 0.444 94 E N 0.833 121.041 120.200 0.013 0.000 2.106 94 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 94 E C 2.187 178.816 176.600 0.049 0.000 0.984 94 E CA 0.907 57.321 56.400 0.023 0.000 0.806 94 E CB -0.241 29.465 29.700 0.010 0.000 0.750 94 E HN 0.471 nan 8.360 nan 0.000 0.458 95 M N 0.468 120.095 119.600 0.045 0.000 2.279 95 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 95 M C 0.072 176.508 176.300 0.226 0.000 1.062 95 M CA 0.931 56.295 55.300 0.107 0.000 1.099 95 M CB -0.207 32.365 32.600 -0.047 0.000 1.394 95 M HN -0.127 nan 8.290 nan 0.000 0.426 96 K N -0.259 120.228 120.400 0.145 0.000 3.974 96 K HA -0.144 4.176 4.320 -0.000 0.000 0.280 96 K C -2.535 174.186 176.600 0.202 0.000 0.949 96 K CA -0.335 56.035 56.287 0.138 0.000 0.817 96 K CB -1.680 30.882 32.500 0.103 0.000 1.535 96 K HN 0.220 nan 8.250 nan 0.000 0.444 97 P HA -0.027 nan 4.420 nan 0.000 0.272 97 P C 0.781 178.195 177.300 0.190 0.000 1.223 97 P CA -0.152 63.114 63.100 0.277 0.000 0.784 97 P CB 1.062 32.900 31.700 0.230 0.000 0.923 98 S N 1.446 117.255 115.700 0.183 0.000 2.446 98 S HA 0.121 4.591 4.470 -0.000 0.000 0.225 98 S C 0.178 174.968 174.600 0.317 0.000 1.016 98 S CA 0.517 58.822 58.200 0.175 0.000 0.943 98 S CB -0.405 62.860 63.200 0.109 0.000 0.786 98 S HN 0.428 nan 8.310 nan 0.000 0.508 99 F N 0.287 120.301 119.950 0.108 0.000 2.665 99 F HA 0.626 5.153 4.527 -0.000 0.000 0.308 99 F C -1.611 174.288 175.800 0.164 0.000 1.112 99 F CA -1.110 56.963 58.000 0.122 0.000 0.972 99 F CB 1.755 40.810 39.000 0.092 0.000 1.295 99 F HN -0.046 nan 8.300 nan 0.000 0.440 100 M N 5.685 125.167 119.600 -0.196 0.000 2.395 100 M HA 0.706 5.185 4.480 -0.000 0.000 0.307 100 M C -1.314 174.992 176.300 0.009 0.000 1.091 100 M CA -1.194 54.138 55.300 0.054 0.000 0.919 100 M CB 2.170 34.867 32.600 0.162 0.000 1.662 100 M HN 0.396 nan 8.290 nan 0.000 0.440 101 V N -0.022 120.016 119.914 0.205 0.000 2.735 101 V HA 0.935 5.055 4.120 -0.000 0.000 0.310 101 V C -1.504 174.796 176.094 0.342 0.000 1.061 101 V CA -0.400 61.997 62.300 0.162 0.000 0.913 101 V CB 1.511 33.477 31.823 0.238 0.000 1.005 101 V HN 1.115 nan 8.190 nan 0.000 0.428 102 W N 1.372 122.816 121.300 0.241 0.000 3.018 102 W HA 0.863 5.523 4.660 0.000 0.000 0.382 102 W C -0.997 175.692 176.519 0.284 0.000 1.161 102 W CA -0.949 56.516 57.345 0.200 0.000 1.144 102 W CB 0.839 30.376 29.460 0.128 0.000 1.499 102 W HN 0.489 nan 8.180 nan 0.000 0.596 103 S N 1.296 117.337 115.700 0.569 0.000 2.437 103 S HA 0.637 5.107 4.470 -0.000 0.000 0.305 103 S C -0.003 174.937 174.600 0.566 0.000 1.109 103 S CA -0.502 57.993 58.200 0.490 0.000 1.099 103 S CB 0.973 64.448 63.200 0.459 0.000 1.004 103 S HN 0.766 nan 8.310 nan 0.000 0.475 104 A N 2.223 125.274 122.820 0.384 0.000 2.567 104 A HA 0.476 4.796 4.320 -0.000 0.000 0.240 104 A C 1.527 179.280 177.584 0.281 0.000 1.053 104 A CA 0.477 52.694 52.037 0.300 0.000 0.755 104 A CB -0.912 18.166 19.000 0.130 0.000 0.978 104 A HN 1.828 nan 8.150 nan 0.000 0.507 105 G N 0.376 109.308 108.800 0.221 0.000 2.184 105 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 105 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 105 G C -0.015 175.034 174.900 0.249 0.000 0.975 105 G CA 0.963 46.152 45.100 0.149 0.000 0.642 105 G HN 1.701 nan 8.290 nan 0.000 0.536 106 Y N 0.495 120.912 120.300 0.194 0.000 2.446 106 Y HA 0.527 5.077 4.550 -0.001 0.000 0.345 106 Y C 0.900 176.812 175.900 0.019 0.000 0.984 106 Y CA 0.726 58.889 58.100 0.107 0.000 1.058 106 Y CB 1.662 40.203 38.460 0.136 0.000 1.220 106 Y HN 1.447 nan 8.280 nan 0.000 0.455 107 G N 4.484 112.906 108.800 -0.630 0.000 2.593 107 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.237 107 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.237 107 G C -2.598 172.141 174.900 -0.268 0.000 1.312 107 G CA -0.743 44.118 45.100 -0.398 0.000 0.896 107 G HN 0.684 nan 8.290 nan 0.000 0.574 108 P HA 0.407 nan 4.420 nan 0.000 0.269 108 P C 0.307 177.430 177.300 -0.296 0.000 1.217 108 P CA 0.506 63.452 63.100 -0.257 0.000 0.783 108 P CB 0.608 32.150 31.700 -0.264 0.000 0.898 109 S N 2.751 118.306 115.700 -0.242 0.000 2.525 109 S HA 0.068 4.538 4.470 -0.000 0.000 0.285 109 S C -1.128 173.284 174.600 -0.313 0.000 1.283 109 S CA -0.911 57.160 58.200 -0.215 0.000 1.072 109 S CB -0.237 62.871 63.200 -0.153 0.000 0.867 109 S HN 0.293 nan 8.310 nan 0.000 0.492 110 P HA -0.028 nan 4.420 nan 0.000 0.220 110 P C 1.324 178.517 177.300 -0.179 0.000 1.148 110 P CA 1.680 64.579 63.100 -0.334 0.000 0.803 110 P CB -0.153 31.590 31.700 0.072 0.000 0.782 111 E N 0.777 120.912 120.200 -0.109 0.000 2.106 111 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 111 E C 1.938 178.479 176.600 -0.097 0.000 0.984 111 E CA 1.413 57.773 56.400 -0.067 0.000 0.806 111 E CB -1.186 28.484 29.700 -0.050 0.000 0.750 111 E HN 0.111 nan 8.360 nan 0.000 0.458 112 M N 0.060 119.575 119.600 -0.142 0.000 2.156 112 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 112 M C 2.370 178.568 176.300 -0.170 0.000 1.067 112 M CA 1.332 56.549 55.300 -0.139 0.000 1.131 112 M CB -0.515 31.997 32.600 -0.147 0.000 1.368 112 M HN 0.374 nan 8.290 nan 0.000 0.416 113 L N 0.508 121.561 121.223 -0.284 0.000 2.083 113 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 113 L C 2.662 179.421 176.870 -0.185 0.000 1.083 113 L CA 1.175 55.813 54.840 -0.336 0.000 0.752 113 L CB -1.035 40.570 42.059 -0.758 0.000 0.899 113 L HN 0.356 nan 8.230 nan 0.000 0.433 114 A N 0.380 123.124 122.820 -0.126 0.000 2.070 114 A HA -0.183 4.136 4.320 -0.000 0.000 0.220 114 A C 2.637 180.216 177.584 -0.009 0.000 1.159 114 A CA 1.790 53.829 52.037 0.003 0.000 0.656 114 A CB -0.719 18.311 19.000 0.050 0.000 0.800 114 A HN 0.429 nan 8.150 nan 0.000 0.453 115 R N -0.010 120.467 120.500 -0.039 0.000 2.193 115 R HA 0.253 4.593 4.340 -0.000 0.000 0.213 115 R C 1.820 178.107 176.300 -0.020 0.000 1.055 115 R CA 1.279 57.363 56.100 -0.026 0.000 0.995 115 R CB -1.074 29.203 30.300 -0.039 0.000 0.893 115 R HN 0.659 nan 8.270 nan 0.000 0.459 116 I N -0.699 119.852 120.570 -0.031 0.000 2.339 116 I HA 0.265 4.435 4.170 -0.000 0.000 0.245 116 I C 1.219 177.342 176.117 0.010 0.000 1.096 116 I CA 1.108 62.398 61.300 -0.017 0.000 1.408 116 I CB 0.081 38.060 38.000 -0.034 0.000 1.092 116 I HN 0.537 nan 8.210 nan 0.000 0.423 117 A N -0.513 122.318 122.820 0.017 0.000 2.540 117 A HA 0.597 4.917 4.320 -0.000 0.000 0.291 117 A C -2.743 174.860 177.584 0.032 0.000 1.083 117 A CA -0.913 51.150 52.037 0.042 0.000 0.650 117 A CB 0.172 19.209 19.000 0.063 0.000 1.292 117 A HN -0.193 nan 8.150 nan 0.000 0.435 118 P HA 0.479 nan 4.420 nan 0.000 0.269 118 P C 0.244 177.341 177.300 -0.339 0.000 1.209 118 P CA 0.656 63.769 63.100 0.022 0.000 0.776 118 P CB 1.025 32.865 31.700 0.235 0.000 0.876 119 G N 0.773 109.276 108.800 -0.495 0.000 2.608 119 G HA2 0.668 4.628 3.960 -0.000 0.000 0.291 119 G HA3 0.668 4.628 3.960 -0.000 0.000 0.291 119 G C -1.845 172.599 174.900 -0.761 0.000 1.425 119 G CA -0.607 43.957 45.100 -0.894 0.000 0.787 119 G HN 0.508 nan 8.290 nan 0.000 0.484 120 R N -0.748 119.142 120.500 -1.016 0.000 2.535 120 R HA 0.635 4.975 4.340 -0.000 0.000 0.274 120 R C -0.203 175.214 176.300 -1.471 0.000 1.090 120 R CA 0.022 55.624 56.100 -0.831 0.000 0.930 120 R CB 1.442 31.623 30.300 -0.200 0.000 1.223 120 R HN 1.128 nan 8.270 nan 0.000 0.441 121 G N 2.971 110.944 108.800 -1.379 0.000 2.367 121 G HA2 0.571 4.531 3.960 -0.000 0.000 0.314 121 G HA3 0.571 4.531 3.960 -0.000 0.000 0.314 121 G C -1.268 173.210 174.900 -0.704 0.000 1.130 121 G CA -0.294 44.056 45.100 -1.249 0.000 0.864 121 G HN 0.331 nan 8.290 nan 0.000 0.486 122 F N 0.554 120.368 119.950 -0.227 0.000 2.508 122 F HA 0.369 4.896 4.527 -0.001 0.000 0.325 122 F C 0.491 176.331 175.800 0.066 0.000 1.090 122 F CA -1.060 56.910 58.000 -0.049 0.000 0.945 122 F CB 2.012 41.006 39.000 -0.010 0.000 1.156 122 F HN 0.249 nan 8.300 nan 0.000 0.463 123 N N 2.602 121.425 118.700 0.204 0.000 2.472 123 N HA 0.060 4.800 4.740 -0.000 0.000 0.277 123 N C 0.597 176.248 175.510 0.235 0.000 1.081 123 N CA -0.210 52.958 53.050 0.197 0.000 0.973 123 N CB 1.144 39.697 38.487 0.110 0.000 1.105 123 N HN 0.644 nan 8.380 nan 0.000 0.470 124 F N 1.624 121.638 119.950 0.106 0.000 2.293 124 F HA 0.084 4.611 4.527 0.000 0.000 0.297 124 F C 0.950 176.671 175.800 -0.131 0.000 1.089 124 F CA 0.526 58.529 58.000 0.005 0.000 1.377 124 F CB 0.338 39.261 39.000 -0.130 0.000 1.051 124 F HN 0.419 nan 8.300 nan 0.000 0.511 125 S N -1.039 114.455 115.700 -0.343 0.000 2.661 125 S HA 0.249 4.719 4.470 -0.000 0.000 0.268 125 S C -0.716 173.789 174.600 -0.159 0.000 1.162 125 S CA -0.097 57.777 58.200 -0.543 0.000 0.817 125 S CB 0.728 63.325 63.200 -1.005 0.000 1.141 125 S HN 0.334 nan 8.310 nan 0.000 0.477 126 D N -0.270 120.027 120.400 -0.171 0.000 2.395 126 D HA 0.296 4.936 4.640 -0.000 0.000 0.213 126 D C 1.168 177.477 176.300 0.016 0.000 1.110 126 D CA 0.794 54.792 54.000 -0.003 0.000 0.835 126 D CB 0.103 40.880 40.800 -0.038 0.000 0.965 126 D HN 1.289 nan 8.370 nan 0.000 0.505 127 G N 1.045 109.734 108.800 -0.184 0.000 2.194 127 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.236 127 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.236 127 G C 0.869 175.675 174.900 -0.157 0.000 0.987 127 G CA 0.550 45.551 45.100 -0.165 0.000 0.635 127 G HN 0.530 nan 8.290 nan 0.000 0.520 128 K N -0.805 119.497 120.400 -0.164 0.000 2.585 128 K HA 0.324 4.644 4.320 -0.000 0.000 0.198 128 K C 0.556 177.069 176.600 -0.145 0.000 1.403 128 K CA 0.281 56.500 56.287 -0.114 0.000 1.021 128 K CB 0.579 33.041 32.500 -0.064 0.000 1.558 128 K HN 0.252 nan 8.250 nan 0.000 0.524 129 Q N 0.997 120.689 119.800 -0.180 0.000 2.523 129 Q HA 0.239 4.578 4.340 -0.000 0.000 0.251 129 Q C -2.403 173.418 176.000 -0.299 0.000 1.033 129 Q CA -1.965 53.723 55.803 -0.192 0.000 0.746 129 Q CB 2.038 30.702 28.738 -0.123 0.000 1.189 129 Q HN 0.082 nan 8.270 nan 0.000 0.508 130 P HA -0.199 nan 4.420 nan 0.000 0.215 130 P C 0.940 177.959 177.300 -0.468 0.000 1.153 130 P CA 1.153 63.813 63.100 -0.733 0.000 0.853 130 P CB 0.362 31.455 31.700 -1.011 0.000 0.788 131 L N -1.327 119.722 121.223 -0.289 0.000 2.093 131 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 131 L C 2.416 179.197 176.870 -0.149 0.000 1.085 131 L CA 1.356 56.085 54.840 -0.185 0.000 0.755 131 L CB -1.017 40.991 42.059 -0.085 0.000 0.904 131 L HN -0.034 nan 8.230 nan 0.000 0.435 132 A N -0.371 122.370 122.820 -0.132 0.000 1.902 132 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 132 A C 2.217 179.742 177.584 -0.098 0.000 1.181 132 A CA 1.956 53.939 52.037 -0.090 0.000 0.623 132 A CB -0.446 18.508 19.000 -0.078 0.000 0.818 132 A HN 0.346 nan 8.150 nan 0.000 0.443 133 M N 0.294 119.807 119.600 -0.146 0.000 2.117 133 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 133 M C 2.166 178.412 176.300 -0.090 0.000 1.065 133 M CA 1.620 56.847 55.300 -0.121 0.000 1.114 133 M CB -0.794 31.695 32.600 -0.185 0.000 1.361 133 M HN 0.377 nan 8.290 nan 0.000 0.408 134 A N 0.089 122.826 122.820 -0.139 0.000 1.917 134 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 134 A C 2.319 179.857 177.584 -0.077 0.000 1.182 134 A CA 2.201 54.178 52.037 -0.101 0.000 0.633 134 A CB -0.750 18.163 19.000 -0.145 0.000 0.819 134 A HN 0.610 nan 8.150 nan 0.000 0.448 135 R N -0.820 119.627 120.500 -0.089 0.000 2.115 135 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 135 R C 2.611 178.905 176.300 -0.010 0.000 1.111 135 R CA 1.689 57.758 56.100 -0.052 0.000 0.976 135 R CB -0.299 29.976 30.300 -0.041 0.000 0.870 135 R HN 0.579 nan 8.270 nan 0.000 0.445 136 K N 0.372 120.768 120.400 -0.006 0.000 2.062 136 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 136 K C 2.018 178.656 176.600 0.063 0.000 1.051 136 K CA 1.607 57.906 56.287 0.020 0.000 0.941 136 K CB -0.733 31.773 32.500 0.010 0.000 0.719 136 K HN 0.099 nan 8.250 nan 0.000 0.440 137 S N 0.860 116.612 115.700 0.086 0.000 2.368 137 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 137 S C 1.887 176.549 174.600 0.105 0.000 1.030 137 S CA 1.073 59.393 58.200 0.199 0.000 0.999 137 S CB -0.235 63.087 63.200 0.203 0.000 0.844 137 S HN 0.417 nan 8.310 nan 0.000 0.459 138 L N 1.517 122.746 121.223 0.010 0.000 2.017 138 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 138 L C 2.265 179.138 176.870 0.005 0.000 1.073 138 L CA 1.720 56.538 54.840 -0.037 0.000 0.745 138 L CB -1.452 40.583 42.059 -0.040 0.000 0.894 138 L HN 0.341 nan 8.230 nan 0.000 0.432 139 T N -0.713 113.860 114.554 0.032 0.000 2.746 139 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 139 T C 1.704 176.436 174.700 0.052 0.000 1.039 139 T CA 1.543 63.664 62.100 0.036 0.000 1.142 139 T CB -0.098 68.791 68.868 0.034 0.000 0.866 139 T HN 0.408 nan 8.240 nan 0.000 0.444 140 E N 0.378 120.636 120.200 0.096 0.000 2.031 140 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 140 E C 2.211 178.913 176.600 0.170 0.000 0.994 140 E CA 1.266 57.747 56.400 0.135 0.000 0.800 140 E CB -0.165 29.658 29.700 0.206 0.000 0.752 140 E HN 0.309 nan 8.360 nan 0.000 0.447 141 M N 0.847 120.576 119.600 0.214 0.000 2.086 141 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 141 M C 2.071 178.383 176.300 0.019 0.000 1.067 141 M CA 2.102 57.474 55.300 0.121 0.000 1.116 141 M CB -0.372 32.169 32.600 -0.097 0.000 1.348 141 M HN 0.168 nan 8.290 nan 0.000 0.407 142 A N -0.784 122.037 122.820 0.001 0.000 1.933 142 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 142 A C 1.933 179.508 177.584 -0.016 0.000 1.175 142 A CA 2.273 54.301 52.037 -0.016 0.000 0.628 142 A CB -1.267 17.728 19.000 -0.008 0.000 0.814 142 A HN 0.650 nan 8.150 nan 0.000 0.444 143 D N -0.377 120.022 120.400 -0.001 0.000 2.144 143 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 143 D C 1.825 178.103 176.300 -0.038 0.000 0.978 143 D CA 0.945 54.938 54.000 -0.012 0.000 0.833 143 D CB -0.160 40.639 40.800 -0.001 0.000 0.961 143 D HN 0.428 nan 8.370 nan 0.000 0.470 144 L N -0.265 120.929 121.223 -0.049 0.000 2.083 144 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 144 L C 1.935 178.711 176.870 -0.156 0.000 1.083 144 L CA 0.753 55.518 54.840 -0.125 0.000 0.752 144 L CB -0.212 41.740 42.059 -0.178 0.000 0.899 144 L HN 0.171 nan 8.230 nan 0.000 0.433 145 L N -0.974 120.180 121.223 -0.116 0.000 2.607 145 L HA 0.127 4.467 4.340 -0.000 0.000 0.228 145 L C 0.183 177.013 176.870 -0.067 0.000 1.123 145 L CA -0.202 54.575 54.840 -0.104 0.000 0.890 145 L CB -0.258 41.748 42.059 -0.088 0.000 1.103 145 L HN 0.305 nan 8.230 nan 0.000 0.468 146 N N 1.438 120.106 118.700 -0.054 0.000 2.725 146 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 146 N C -0.058 175.436 175.510 -0.027 0.000 1.031 146 N CA 0.745 53.774 53.050 -0.035 0.000 0.720 146 N CB -1.150 37.316 38.487 -0.035 0.000 0.930 146 N HN 0.374 nan 8.380 nan 0.000 0.543 147 L N 0.470 121.678 121.223 -0.024 0.000 3.168 147 L HA 0.142 4.482 4.340 -0.000 0.000 0.277 147 L C 1.507 178.373 176.870 -0.006 0.000 1.308 147 L CA -0.339 54.491 54.840 -0.017 0.000 0.976 147 L CB 0.562 42.606 42.059 -0.024 0.000 1.383 147 L HN -0.052 nan 8.230 nan 0.000 0.572 148 Q N -0.014 119.784 119.800 -0.003 0.000 2.112 148 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 148 Q C 2.324 178.334 176.000 0.016 0.000 0.987 148 Q CA 2.051 57.858 55.803 0.006 0.000 0.858 148 Q CB -0.137 28.604 28.738 0.005 0.000 0.905 148 Q HN 0.403 nan 8.270 nan 0.000 0.420 149 S N 0.041 115.750 115.700 0.014 0.000 2.368 149 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 149 S C 1.988 176.606 174.600 0.031 0.000 1.029 149 S CA 0.883 59.096 58.200 0.021 0.000 0.988 149 S CB -0.452 62.757 63.200 0.016 0.000 0.838 149 S HN 0.542 nan 8.310 nan 0.000 0.462 150 A N 1.501 124.336 122.820 0.026 0.000 1.940 150 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 150 A C 2.309 179.930 177.584 0.063 0.000 1.176 150 A CA 1.782 53.840 52.037 0.036 0.000 0.631 150 A CB -0.981 18.027 19.000 0.014 0.000 0.814 150 A HN 0.519 nan 8.150 nan 0.000 0.446 151 A N -0.111 122.738 122.820 0.048 0.000 1.898 151 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 151 A C 1.910 179.559 177.584 0.108 0.000 1.181 151 A CA 1.517 53.595 52.037 0.068 0.000 0.620 151 A CB -0.471 18.550 19.000 0.035 0.000 0.819 151 A HN 0.649 nan 8.150 nan 0.000 0.442 152 E N -0.770 119.475 120.200 0.076 0.000 2.072 152 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 152 E C 2.007 178.654 176.600 0.079 0.000 0.985 152 E CA 1.485 57.927 56.400 0.071 0.000 0.801 152 E CB -0.406 29.323 29.700 0.048 0.000 0.750 152 E HN 0.535 nan 8.360 nan 0.000 0.452 153 T N 0.455 115.056 114.554 0.079 0.000 2.746 153 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 153 T C 1.713 176.465 174.700 0.087 0.000 1.039 153 T CA 1.350 63.493 62.100 0.072 0.000 1.142 153 T CB -0.312 68.596 68.868 0.066 0.000 0.866 153 T HN 0.325 nan 8.240 nan 0.000 0.444 154 H N 1.005 120.105 119.070 0.049 0.000 2.326 154 H HA 0.063 4.619 4.556 0.000 0.000 0.301 154 H C 2.241 177.637 175.328 0.114 0.000 1.081 154 H CA 1.146 57.234 56.048 0.067 0.000 1.334 154 H CB -0.384 29.404 29.762 0.043 0.000 1.385 154 H HN 0.302 nan 8.280 nan 0.000 0.504 155 L N 0.458 121.741 121.223 0.101 0.000 2.131 155 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 155 L C 3.099 180.026 176.870 0.095 0.000 1.092 155 L CA 1.022 55.926 54.840 0.108 0.000 0.759 155 L CB -0.510 41.626 42.059 0.128 0.000 0.903 155 L HN 0.299 nan 8.230 nan 0.000 0.435 156 A N -0.463 122.391 122.820 0.057 0.000 1.898 156 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 156 A C 2.293 179.894 177.584 0.029 0.000 1.181 156 A CA 1.640 53.706 52.037 0.049 0.000 0.620 156 A CB -0.547 18.478 19.000 0.041 0.000 0.819 156 A HN 0.501 nan 8.150 nan 0.000 0.442 157 Q N -1.739 118.055 119.800 -0.010 0.000 2.084 157 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 157 Q C 1.946 177.945 176.000 -0.002 0.000 0.978 157 Q CA 2.092 57.883 55.803 -0.020 0.000 0.844 157 Q CB -0.406 28.292 28.738 -0.067 0.000 0.898 157 Q HN 0.728 nan 8.270 nan 0.000 0.426 158 Y N 2.079 122.280 120.300 -0.166 0.000 2.070 158 Y HA -0.278 4.271 4.550 -0.000 0.000 0.280 158 Y C 2.078 178.023 175.900 0.076 0.000 1.148 158 Y CA 2.565 60.628 58.100 -0.062 0.000 1.125 158 Y CB -0.437 37.938 38.460 -0.143 0.000 0.975 158 Y HN 0.397 nan 8.280 nan 0.000 0.492 159 E N -0.451 119.716 120.200 -0.054 0.000 2.153 159 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 159 E C 1.549 178.097 176.600 -0.088 0.000 0.988 159 E CA 1.797 58.135 56.400 -0.103 0.000 0.811 159 E CB -0.566 29.174 29.700 0.067 0.000 0.746 159 E HN 0.462 nan 8.360 nan 0.000 0.466 160 D N -0.200 120.187 120.400 -0.021 0.000 2.123 160 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 160 D C 1.500 177.815 176.300 0.027 0.000 0.976 160 D CA 0.806 54.813 54.000 0.011 0.000 0.831 160 D CB -0.360 40.464 40.800 0.039 0.000 0.974 160 D HN 0.226 nan 8.370 nan 0.000 0.469 161 F N 1.825 121.709 119.950 -0.110 0.000 2.102 161 F HA -0.183 4.345 4.527 0.000 0.000 0.298 161 F C 2.062 177.828 175.800 -0.057 0.000 1.105 161 F CA 0.972 58.925 58.000 -0.078 0.000 1.239 161 F CB -0.194 38.758 39.000 -0.079 0.000 0.991 161 F HN -0.171 nan 8.300 nan 0.000 0.474 162 I N 0.665 121.088 120.570 -0.244 0.000 2.163 162 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 162 I C 2.598 178.679 176.117 -0.060 0.000 1.085 162 I CA 1.568 62.733 61.300 -0.226 0.000 1.347 162 I CB -1.541 36.276 38.000 -0.306 0.000 1.044 162 I HN 0.227 nan 8.210 nan 0.000 0.408 163 R N 1.125 121.586 120.500 -0.065 0.000 2.092 163 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 163 R C 2.560 178.844 176.300 -0.027 0.000 1.119 163 R CA 1.869 57.969 56.100 -0.000 0.000 0.970 163 R CB -0.045 30.250 30.300 -0.008 0.000 0.864 163 R HN 0.500 nan 8.270 nan 0.000 0.440 164 S N -0.035 115.614 115.700 -0.085 0.000 2.399 164 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 164 S C 1.870 176.376 174.600 -0.156 0.000 1.022 164 S CA 0.956 59.097 58.200 -0.099 0.000 0.983 164 S CB -0.042 63.114 63.200 -0.074 0.000 0.803 164 S HN 0.244 nan 8.310 nan 0.000 0.480 165 M N 1.226 120.682 119.600 -0.240 0.000 2.558 165 M HA 0.242 4.722 4.480 -0.000 0.000 0.255 165 M C 1.985 178.120 176.300 -0.275 0.000 1.113 165 M CA 0.614 55.751 55.300 -0.271 0.000 1.097 165 M CB -1.051 31.348 32.600 -0.334 0.000 1.426 165 M HN 0.440 nan 8.290 nan 0.000 0.488 166 K N 1.447 121.746 120.400 -0.169 0.000 2.077 166 K HA -0.173 4.147 4.320 -0.000 0.000 0.213 166 K C -0.890 175.629 176.600 -0.135 0.000 1.051 166 K CA 1.730 57.928 56.287 -0.147 0.000 0.929 166 K CB -0.815 31.732 32.500 0.079 0.000 0.715 166 K HN 0.188 nan 8.250 nan 0.000 0.451 167 P HA -0.126 nan 4.420 nan 0.000 0.239 167 P C 0.047 177.196 177.300 -0.251 0.000 1.184 167 P CA 0.985 63.999 63.100 -0.142 0.000 0.760 167 P CB 0.002 31.634 31.700 -0.113 0.000 0.884 168 R N -1.058 119.174 120.500 -0.447 0.000 2.310 168 R HA 0.151 4.491 4.340 -0.000 0.000 0.202 168 R C 0.403 176.059 176.300 -1.073 0.000 0.933 168 R CA 0.575 56.212 56.100 -0.772 0.000 1.054 168 R CB -0.189 29.501 30.300 -1.017 0.000 0.985 168 R HN 0.317 nan 8.270 nan 0.000 0.489 169 F N -1.552 118.243 119.950 -0.257 0.000 2.815 169 F HA 0.237 4.764 4.527 -0.000 0.000 0.335 169 F C 1.645 177.378 175.800 -0.113 0.000 1.179 169 F CA -0.313 57.574 58.000 -0.189 0.000 1.204 169 F CB 0.031 38.886 39.000 -0.242 0.000 1.050 169 F HN -0.233 nan 8.300 nan 0.000 0.510 170 V N 0.288 120.196 119.914 -0.010 0.000 2.591 170 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 170 V C 2.228 178.323 176.094 0.001 0.000 1.053 170 V CA 2.535 64.838 62.300 0.004 0.000 1.068 170 V CB -0.886 30.921 31.823 -0.027 0.000 0.689 170 V HN 0.196 nan 8.190 nan 0.000 0.462 171 K N 1.500 121.883 120.400 -0.027 0.000 2.032 171 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 171 K C 1.645 178.249 176.600 0.006 0.000 1.048 171 K CA 1.284 57.559 56.287 -0.021 0.000 0.927 171 K CB -0.705 nan 32.500 nan 0.000 0.712 171 K HN 0.949 nan 8.250 nan 0.000 0.441 172 R N -0.929 119.588 120.500 0.028 0.000 2.774 172 R HA 0.416 4.756 4.340 -0.000 0.000 0.269 172 R C 1.112 177.441 176.300 0.049 0.000 1.068 172 R CA -0.061 56.066 56.100 0.046 0.000 1.180 172 R CB 0.473 30.819 30.300 0.076 0.000 1.077 172 R HN 0.203 nan 8.270 nan 0.000 0.513 173 G N -0.381 108.446 108.800 0.045 0.000 3.022 173 G HA2 0.374 4.334 3.960 -0.000 0.000 0.157 173 G HA3 0.374 4.334 3.960 -0.000 0.000 0.157 173 G C -0.074 174.856 174.900 0.051 0.000 1.468 173 G CA -0.384 44.742 45.100 0.043 0.000 1.058 173 G HN 0.697 nan 8.290 nan 0.000 0.581 174 A N -0.697 122.151 122.820 0.047 0.000 2.462 174 A HA 0.396 4.716 4.320 -0.000 0.000 0.261 174 A C 1.175 178.792 177.584 0.054 0.000 1.323 174 A CA -0.313 51.755 52.037 0.050 0.000 0.913 174 A CB -0.346 18.681 19.000 0.044 0.000 1.028 174 A HN 0.424 nan 8.150 nan 0.000 0.511 175 R N 2.062 122.596 120.500 0.055 0.000 2.458 175 R HA 0.162 4.502 4.340 -0.000 0.000 0.303 175 R C -2.334 174.005 176.300 0.065 0.000 1.013 175 R CA -1.111 55.025 56.100 0.060 0.000 1.026 175 R CB 0.353 30.687 30.300 0.056 0.000 0.948 175 R HN 0.166 nan 8.270 nan 0.000 0.417 176 P HA -0.039 nan 4.420 nan 0.000 0.270 176 P C -1.121 176.214 177.300 0.058 0.000 1.223 176 P CA -0.250 62.897 63.100 0.078 0.000 0.785 176 P CB 0.714 32.478 31.700 0.106 0.000 0.923 177 L N 2.528 123.781 121.223 0.050 0.000 2.365 177 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 177 L C -1.266 175.607 176.870 0.004 0.000 1.000 177 L CA -0.947 53.905 54.840 0.020 0.000 0.819 177 L CB 1.505 43.589 42.059 0.041 0.000 1.284 177 L HN 0.162 nan 8.230 nan 0.000 0.418 178 L N 5.642 126.822 121.223 -0.071 0.000 2.305 178 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 178 L C -1.349 175.491 176.870 -0.049 0.000 1.013 178 L CA -0.155 54.624 54.840 -0.102 0.000 0.819 178 L CB 1.286 43.164 42.059 -0.302 0.000 1.227 178 L HN 0.586 nan 8.230 nan 0.000 0.417 179 L N 5.298 126.564 121.223 0.072 0.000 2.282 179 L HA 0.701 5.041 4.340 -0.000 0.000 0.288 179 L C 0.155 177.205 176.870 0.299 0.000 1.033 179 L CA -0.342 54.602 54.840 0.172 0.000 0.807 179 L CB 1.492 43.727 42.059 0.294 0.000 1.209 179 L HN 0.772 nan 8.230 nan 0.000 0.423 180 T N -1.083 113.618 114.554 0.245 0.000 2.812 180 T HA 0.682 5.032 4.350 -0.000 0.000 0.294 180 T C -0.577 174.365 174.700 0.404 0.000 1.159 180 T CA -0.774 61.471 62.100 0.241 0.000 1.008 180 T CB 2.425 71.368 68.868 0.126 0.000 1.289 180 T HN 0.433 nan 8.240 nan 0.000 0.514 181 T N 0.690 115.439 114.554 0.325 0.000 3.159 181 T HA 0.482 4.832 4.350 -0.000 0.000 0.343 181 T C -1.933 172.962 174.700 0.325 0.000 1.364 181 T CA -0.633 61.727 62.100 0.434 0.000 1.102 181 T CB 1.343 70.585 68.868 0.623 0.000 1.263 181 T HN 0.816 nan 8.240 nan 0.000 0.477 182 L N 6.823 128.246 121.223 0.334 0.000 2.313 182 L HA 0.438 4.778 4.340 -0.000 0.000 0.282 182 L C 0.910 178.007 176.870 0.379 0.000 1.092 182 L CA -0.113 54.872 54.840 0.241 0.000 0.831 182 L CB 0.276 42.387 42.059 0.088 0.000 1.159 182 L HN 0.684 nan 8.230 nan 0.000 0.442 183 I N 2.429 123.173 120.570 0.291 0.000 2.296 183 I HA 0.088 4.258 4.170 -0.000 0.000 0.242 183 I C 0.264 176.534 176.117 0.255 0.000 1.087 183 I CA 0.803 62.285 61.300 0.303 0.000 1.393 183 I CB -1.036 37.072 38.000 0.180 0.000 1.093 183 I HN 0.758 nan 8.210 nan 0.000 0.421 184 D N -2.028 118.492 120.400 0.200 0.000 2.639 184 D HA 0.244 4.884 4.640 -0.000 0.000 0.271 184 D C -2.523 173.855 176.300 0.130 0.000 1.254 184 D CA -1.642 52.454 54.000 0.159 0.000 0.810 184 D CB 0.836 41.728 40.800 0.154 0.000 1.351 184 D HN -0.289 nan 8.370 nan 0.000 0.427 185 P HA -0.142 nan 4.420 nan 0.000 0.219 185 P C 1.124 178.441 177.300 0.028 0.000 1.144 185 P CA 2.655 65.769 63.100 0.024 0.000 0.806 185 P CB 0.100 31.809 31.700 0.014 0.000 0.771 186 R N -1.736 118.812 120.500 0.080 0.000 2.362 186 R HA 0.166 4.506 4.340 -0.000 0.000 0.227 186 R C 0.056 176.179 176.300 -0.294 0.000 0.905 186 R CA 0.537 56.601 56.100 -0.059 0.000 1.067 186 R CB -1.080 29.186 30.300 -0.057 0.000 1.078 186 R HN 0.379 nan 8.270 nan 0.000 0.516 187 H N -1.213 117.878 119.070 0.034 0.000 2.782 187 H HA 0.608 5.164 4.556 0.000 0.000 0.347 187 H C -0.805 174.540 175.328 0.027 0.000 1.038 187 H CA -0.789 55.276 56.048 0.028 0.000 1.255 187 H CB 1.641 31.418 29.762 0.025 0.000 1.623 187 H HN 0.033 nan 8.280 nan 0.000 0.525 188 M N 3.098 122.755 119.600 0.095 0.000 2.294 188 M HA 0.341 4.821 4.480 -0.000 0.000 0.335 188 M C -0.711 175.551 176.300 -0.064 0.000 1.079 188 M CA -0.570 54.759 55.300 0.049 0.000 0.982 188 M CB 1.831 34.465 32.600 0.057 0.000 1.651 188 M HN 0.523 nan 8.290 nan 0.000 0.437 189 L N 3.781 124.934 121.223 -0.116 0.000 2.350 189 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 189 L C -0.336 176.194 176.870 -0.566 0.000 1.099 189 L CA -0.731 53.886 54.840 -0.372 0.000 0.808 189 L CB 1.392 43.183 42.059 -0.446 0.000 1.149 189 L HN 0.494 nan 8.230 nan 0.000 0.442 190 V N -0.374 119.043 119.914 -0.828 0.000 2.735 190 V HA 0.531 4.651 4.120 -0.000 0.000 0.310 190 V C -0.855 174.639 176.094 -0.998 0.000 1.061 190 V CA -0.831 60.971 62.300 -0.831 0.000 0.913 190 V CB 1.765 32.959 31.823 -1.048 0.000 1.005 190 V HN 0.414 nan 8.190 nan 0.000 0.428 191 F N 2.540 122.397 119.950 -0.155 0.000 2.411 191 F HA 0.813 5.339 4.527 -0.000 0.000 0.352 191 F C 1.145 177.025 175.800 0.132 0.000 1.123 191 F CA 0.111 58.109 58.000 -0.003 0.000 1.044 191 F CB 1.712 40.787 39.000 0.124 0.000 1.135 191 F HN 0.901 nan 8.300 nan 0.000 0.461 192 G N 2.761 111.750 108.800 0.315 0.000 2.531 192 G HA2 0.325 4.285 3.960 -0.000 0.000 0.281 192 G HA3 0.325 4.285 3.960 -0.000 0.000 0.281 192 G C -1.967 173.096 174.900 0.272 0.000 1.382 192 G CA -1.399 43.966 45.100 0.442 0.000 1.045 192 G HN 0.359 nan 8.290 nan 0.000 0.533 193 P HA -0.101 nan 4.420 nan 0.000 0.218 193 P C 1.059 178.402 177.300 0.072 0.000 1.146 193 P CA 1.259 64.428 63.100 0.114 0.000 0.813 193 P CB 0.148 31.895 31.700 0.079 0.000 0.778 194 N N -1.705 117.040 118.700 0.075 0.000 2.238 194 N HA 0.018 4.758 4.740 -0.000 0.000 0.222 194 N C -0.092 175.425 175.510 0.011 0.000 1.133 194 N CA -0.087 52.967 53.050 0.006 0.000 0.854 194 N CB -0.360 38.114 38.487 -0.021 0.000 1.041 194 N HN 0.047 nan 8.380 nan 0.000 0.510 195 S N -0.296 115.450 115.700 0.075 0.000 2.645 195 S HA 0.220 4.690 4.470 -0.000 0.000 0.266 195 S C 1.262 175.800 174.600 -0.103 0.000 1.258 195 S CA -0.788 57.458 58.200 0.077 0.000 0.990 195 S CB 1.125 64.434 63.200 0.181 0.000 0.967 195 S HN 0.073 nan 8.310 nan 0.000 0.556 196 L N 0.611 121.677 121.223 -0.262 0.000 2.042 196 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 196 L C 1.986 178.635 176.870 -0.369 0.000 1.076 196 L CA 1.747 56.358 54.840 -0.382 0.000 0.749 196 L CB -1.005 40.743 42.059 -0.518 0.000 0.893 196 L HN 0.841 nan 8.230 nan 0.000 0.432 197 F N -1.467 118.322 119.950 -0.269 0.000 2.365 197 F HA -0.179 4.347 4.527 -0.000 0.000 0.300 197 F C 2.529 178.232 175.800 -0.162 0.000 1.090 197 F CA 0.505 58.254 58.000 -0.417 0.000 1.408 197 F CB -0.460 38.042 39.000 -0.830 0.000 1.060 197 F HN 0.195 nan 8.300 nan 0.000 0.534 198 Q N 1.441 121.279 119.800 0.063 0.000 2.061 198 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 198 Q C 2.043 178.059 176.000 0.026 0.000 0.984 198 Q CA 2.039 57.880 55.803 0.063 0.000 0.846 198 Q CB -0.434 28.333 28.738 0.049 0.000 0.902 198 Q HN 0.514 nan 8.270 nan 0.000 0.421 199 E N -0.997 119.201 120.200 -0.003 0.000 2.118 199 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 199 E C 1.649 178.214 176.600 -0.059 0.000 0.992 199 E CA 1.261 57.648 56.400 -0.020 0.000 0.804 199 E CB -0.101 29.591 29.700 -0.013 0.000 0.741 199 E HN 0.379 nan 8.360 nan 0.000 0.458 200 I N 0.797 121.347 120.570 -0.033 0.000 2.163 200 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 200 I C 2.262 178.208 176.117 -0.284 0.000 1.081 200 I CA 1.119 62.311 61.300 -0.180 0.000 1.353 200 I CB -0.450 37.627 38.000 0.127 0.000 1.054 200 I HN 0.191 nan 8.210 nan 0.000 0.407 201 L N -0.121 121.089 121.223 -0.022 0.000 2.042 201 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 201 L C 2.126 178.987 176.870 -0.016 0.000 1.076 201 L CA 1.359 56.209 54.840 0.016 0.000 0.749 201 L CB -0.842 41.276 42.059 0.097 0.000 0.893 201 L HN 0.262 nan 8.230 nan 0.000 0.432 202 D N -0.148 120.236 120.400 -0.026 0.000 2.117 202 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 202 D C 2.076 178.359 176.300 -0.028 0.000 0.987 202 D CA 1.276 55.268 54.000 -0.013 0.000 0.829 202 D CB 0.002 40.795 40.800 -0.012 0.000 0.961 202 D HN 0.366 nan 8.370 nan 0.000 0.460 203 E N -0.910 119.220 120.200 -0.116 0.000 2.204 203 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 203 E C 0.942 177.584 176.600 0.069 0.000 0.989 203 E CA 0.756 57.094 56.400 -0.103 0.000 0.824 203 E CB 0.031 29.575 29.700 -0.259 0.000 0.756 203 E HN 0.274 nan 8.360 nan 0.000 0.477 204 Y N -0.527 119.749 120.300 -0.041 0.000 2.457 204 Y HA 0.331 4.881 4.550 -0.000 0.000 0.263 204 Y C 1.330 177.220 175.900 -0.017 0.000 1.164 204 Y CA 0.109 58.173 58.100 -0.060 0.000 1.274 204 Y CB 0.367 38.671 38.460 -0.260 0.000 1.097 204 Y HN 0.134 nan 8.280 nan 0.000 0.523 205 G N 1.394 110.275 108.800 0.135 0.000 2.246 205 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.273 205 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.273 205 G C -0.131 174.820 174.900 0.085 0.000 1.055 205 G CA 0.119 45.275 45.100 0.093 0.000 0.851 205 G HN 0.352 nan 8.290 nan 0.000 0.500 206 I N 0.772 121.389 120.570 0.079 0.000 2.354 206 I HA 0.275 4.445 4.170 -0.000 0.000 0.286 206 I C -2.127 174.031 176.117 0.069 0.000 1.007 206 I CA -2.462 58.880 61.300 0.070 0.000 1.167 206 I CB 1.936 39.970 38.000 0.057 0.000 1.320 206 I HN -0.130 nan 8.210 nan 0.000 0.458 207 P HA 0.027 nan 4.420 nan 0.000 0.271 207 P C -0.633 176.717 177.300 0.084 0.000 1.216 207 P CA -0.250 62.892 63.100 0.070 0.000 0.771 207 P CB 0.446 32.185 31.700 0.066 0.000 0.864 208 N N 2.164 120.921 118.700 0.094 0.000 2.422 208 N HA 0.162 4.902 4.740 -0.000 0.000 0.264 208 N C 0.992 176.579 175.510 0.128 0.000 1.063 208 N CA -0.122 53.002 53.050 0.122 0.000 0.959 208 N CB 0.929 39.504 38.487 0.147 0.000 1.087 208 N HN 0.296 nan 8.380 nan 0.000 0.483 209 A N 4.838 127.731 122.820 0.122 0.000 2.015 209 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 209 A C 0.828 178.548 177.584 0.226 0.000 1.163 209 A CA 0.318 52.443 52.037 0.146 0.000 0.646 209 A CB -0.284 18.722 19.000 0.010 0.000 0.806 209 A HN 0.772 nan 8.150 nan 0.000 0.448 210 W N 0.994 122.310 121.300 0.025 0.000 2.342 210 W HA 0.350 5.010 4.660 0.000 0.000 0.310 210 W C -0.666 175.910 176.519 0.095 0.000 1.128 210 W CA -0.349 57.039 57.345 0.071 0.000 1.322 210 W CB 0.873 30.342 29.460 0.015 0.000 1.251 210 W HN 0.264 nan 8.180 nan 0.000 0.439 211 Q N 4.003 123.502 119.800 -0.501 0.000 2.159 211 Q HA 0.166 4.506 4.340 -0.000 0.000 0.217 211 Q C 0.948 176.616 176.000 -0.553 0.000 0.818 211 Q CA -0.115 55.472 55.803 -0.359 0.000 1.008 211 Q CB 1.167 29.799 28.738 -0.177 0.000 1.148 211 Q HN 0.631 nan 8.270 nan 0.000 0.491 212 G N 1.471 109.515 108.800 -1.261 0.000 2.489 212 G HA2 0.183 4.143 3.960 -0.000 0.000 0.271 212 G HA3 0.183 4.143 3.960 -0.000 0.000 0.271 212 G C 0.019 174.864 174.900 -0.093 0.000 1.427 212 G CA -0.400 44.229 45.100 -0.785 0.000 1.057 212 G HN 0.270 nan 8.290 nan 0.000 0.532 213 E N -1.696 118.617 120.200 0.189 0.000 2.392 213 E HA 0.465 4.815 4.350 -0.000 0.000 0.259 213 E C -0.297 176.539 176.600 0.393 0.000 1.108 213 E CA -0.176 56.373 56.400 0.249 0.000 0.916 213 E CB 0.798 30.614 29.700 0.193 0.000 0.989 213 E HN 0.531 nan 8.360 nan 0.000 0.432 214 T N -0.173 114.533 114.554 0.253 0.000 2.843 214 T HA 0.359 4.709 4.350 -0.000 0.000 0.302 214 T C -0.552 174.248 174.700 0.167 0.000 1.232 214 T CA -1.080 61.148 62.100 0.215 0.000 1.009 214 T CB 1.076 70.075 68.868 0.218 0.000 1.254 214 T HN 0.696 nan 8.240 nan 0.000 0.504 215 N N 0.179 118.980 118.700 0.168 0.000 2.495 215 N HA 0.318 5.058 4.740 -0.000 0.000 0.294 215 N C 0.708 176.349 175.510 0.218 0.000 1.276 215 N CA -1.538 51.635 53.050 0.205 0.000 0.973 215 N CB -0.213 38.419 38.487 0.242 0.000 1.143 215 N HN 0.623 nan 8.380 nan 0.000 0.589 216 F N -0.645 119.346 119.950 0.067 0.000 2.202 216 F HA -0.011 4.515 4.527 -0.000 0.000 0.301 216 F C 0.791 176.513 175.800 -0.131 0.000 1.082 216 F CA 1.022 58.968 58.000 -0.090 0.000 1.313 216 F CB -0.053 38.806 39.000 -0.233 0.000 1.024 216 F HN 0.463 nan 8.300 nan 0.000 0.495 217 W N 0.583 121.921 121.300 0.062 0.000 3.180 217 W HA 0.317 4.977 4.660 0.000 0.000 0.254 217 W C 1.817 178.432 176.519 0.160 0.000 1.318 217 W CA 0.907 58.225 57.345 -0.045 0.000 1.608 217 W CB -0.447 28.763 29.460 -0.417 0.000 1.124 217 W HN 0.236 nan 8.180 nan 0.000 0.694 218 G N 0.407 109.363 108.800 0.260 0.000 2.141 218 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.231 218 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.231 218 G C 0.230 175.275 174.900 0.242 0.000 0.984 218 G CA 0.167 45.416 45.100 0.249 0.000 0.660 218 G HN 0.353 nan 8.290 nan 0.000 0.525 219 S N -1.669 114.130 115.700 0.165 0.000 2.697 219 S HA 0.903 5.373 4.470 -0.000 0.000 0.289 219 S C -0.699 173.834 174.600 -0.112 0.000 1.149 219 S CA 0.175 58.303 58.200 -0.120 0.000 0.850 219 S CB 2.958 65.957 63.200 -0.335 0.000 1.151 219 S HN 1.310 nan 8.310 nan 0.000 0.491 220 T N -0.485 113.896 114.554 -0.289 0.000 2.885 220 T HA 0.668 5.018 4.350 -0.000 0.000 0.322 220 T C -1.592 172.943 174.700 -0.276 0.000 1.387 220 T CA -0.194 61.799 62.100 -0.178 0.000 1.041 220 T CB 1.343 70.184 68.868 -0.045 0.000 1.287 220 T HN 1.392 nan 8.240 nan 0.000 0.491 221 A N 2.470 125.211 122.820 -0.131 0.000 2.290 221 A HA 0.805 5.125 4.320 -0.000 0.000 0.310 221 A C 0.009 177.577 177.584 -0.027 0.000 1.202 221 A CA -0.456 51.535 52.037 -0.076 0.000 0.837 221 A CB 0.397 19.416 19.000 0.032 0.000 1.139 221 A HN 1.389 nan 8.150 nan 0.000 0.509 222 V N 0.826 120.707 119.914 -0.055 0.000 2.914 222 V HA 0.855 4.975 4.120 -0.000 0.000 0.314 222 V C 0.177 176.265 176.094 -0.011 0.000 1.084 222 V CA -0.280 62.012 62.300 -0.012 0.000 0.963 222 V CB 1.347 33.145 31.823 -0.042 0.000 1.025 222 V HN 1.220 nan 8.190 nan 0.000 0.432 223 S N 2.946 118.635 115.700 -0.018 0.000 2.593 223 S HA 0.351 4.821 4.470 -0.000 0.000 0.269 223 S C 1.134 175.746 174.600 0.020 0.000 1.334 223 S CA -0.599 57.556 58.200 -0.074 0.000 1.015 223 S CB 0.710 63.874 63.200 -0.061 0.000 0.912 223 S HN 0.713 nan 8.310 nan 0.000 0.541 224 I N 2.199 122.785 120.570 0.027 0.000 2.264 224 I HA -0.193 3.976 4.170 -0.000 0.000 0.248 224 I C 2.367 178.562 176.117 0.130 0.000 1.111 224 I CA 1.579 62.951 61.300 0.119 0.000 1.382 224 I CB -1.752 36.327 38.000 0.132 0.000 1.060 224 I HN 0.897 nan 8.210 nan 0.000 0.418 225 D N 1.425 121.872 120.400 0.080 0.000 2.218 225 D HA -0.226 4.414 4.640 -0.000 0.000 0.204 225 D C 2.088 178.450 176.300 0.104 0.000 0.976 225 D CA 1.652 55.693 54.000 0.068 0.000 0.853 225 D CB -0.324 40.499 40.800 0.039 0.000 0.939 225 D HN 0.345 nan 8.370 nan 0.000 0.481 226 R N 1.170 121.754 120.500 0.140 0.000 2.193 226 R HA 0.052 4.392 4.340 -0.000 0.000 0.229 226 R C 2.600 179.097 176.300 0.329 0.000 1.110 226 R CA 0.973 57.198 56.100 0.209 0.000 0.988 226 R CB -1.585 28.858 30.300 0.239 0.000 0.871 226 R HN 0.374 nan 8.270 nan 0.000 0.458 227 L N -0.298 121.126 121.223 0.336 0.000 2.313 227 L HA 0.139 4.479 4.340 -0.000 0.000 0.214 227 L C 2.940 180.093 176.870 0.471 0.000 1.119 227 L CA 0.761 55.911 54.840 0.517 0.000 0.809 227 L CB -0.194 42.164 42.059 0.497 0.000 0.933 227 L HN 0.435 nan 8.230 nan 0.000 0.449 228 A N 0.235 123.165 122.820 0.185 0.000 2.168 228 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 228 A C 2.446 180.056 177.584 0.043 0.000 1.152 228 A CA 1.192 53.243 52.037 0.024 0.000 0.716 228 A CB -0.362 18.612 19.000 -0.043 0.000 0.794 228 A HN 0.356 nan 8.150 nan 0.000 0.465 229 A N -1.279 121.570 122.820 0.048 0.000 2.066 229 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 229 A C 0.561 178.008 177.584 -0.229 0.000 1.157 229 A CA 0.347 52.306 52.037 -0.129 0.000 0.670 229 A CB -0.500 18.361 19.000 -0.232 0.000 0.804 229 A HN 0.492 nan 8.150 nan 0.000 0.453 230 Y N 0.711 121.116 120.300 0.176 0.000 2.636 230 Y HA 0.381 4.931 4.550 -0.000 0.000 0.341 230 Y C 1.703 177.724 175.900 0.200 0.000 1.169 230 Y CA 0.130 58.351 58.100 0.202 0.000 1.498 230 Y CB -0.086 38.534 38.460 0.267 0.000 1.362 230 Y HN 0.299 nan 8.280 nan 0.000 0.494 231 K N 1.430 121.925 120.400 0.159 0.000 1.984 231 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 231 K C 0.567 177.261 176.600 0.157 0.000 1.046 231 K CA 2.034 58.391 56.287 0.116 0.000 0.934 231 K CB -0.266 32.261 32.500 0.046 0.000 0.717 231 K HN 0.592 nan 8.250 nan 0.000 0.438 232 D N 0.219 120.708 120.400 0.149 0.000 2.483 232 D HA 0.366 5.006 4.640 -0.000 0.000 0.281 232 D C -0.728 175.661 176.300 0.148 0.000 1.174 232 D CA -0.001 54.080 54.000 0.134 0.000 0.938 232 D CB 0.409 41.261 40.800 0.087 0.000 1.002 232 D HN 0.374 nan 8.370 nan 0.000 0.501 233 V N -0.709 119.307 119.914 0.171 0.000 3.114 233 V HA 0.629 4.748 4.120 -0.000 0.000 0.308 233 V C -0.770 175.359 176.094 0.057 0.000 1.168 233 V CA -1.034 61.335 62.300 0.115 0.000 1.015 233 V CB 2.219 34.117 31.823 0.124 0.000 1.050 233 V HN 0.054 nan 8.190 nan 0.000 0.433 234 D N 1.361 121.768 120.400 0.012 0.000 2.210 234 D HA 0.632 5.272 4.640 -0.000 0.000 0.249 234 D C -0.739 175.495 176.300 -0.109 0.000 1.078 234 D CA 0.085 54.072 54.000 -0.021 0.000 0.875 234 D CB 2.104 42.901 40.800 -0.006 0.000 1.175 234 D HN 0.545 nan 8.370 nan 0.000 0.440 235 V N 3.583 123.406 119.914 -0.152 0.000 2.487 235 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 235 V C 0.002 175.968 176.094 -0.213 0.000 1.028 235 V CA -0.749 61.418 62.300 -0.221 0.000 0.860 235 V CB 1.866 33.419 31.823 -0.450 0.000 0.991 235 V HN 0.321 nan 8.190 nan 0.000 0.427 236 L N 4.120 125.200 121.223 -0.239 0.000 2.341 236 L HA 0.606 4.946 4.340 -0.000 0.000 0.278 236 L C -0.631 176.016 176.870 -0.372 0.000 1.005 236 L CA -0.338 54.269 54.840 -0.389 0.000 0.818 236 L CB 1.916 43.714 42.059 -0.436 0.000 1.259 236 L HN 0.691 nan 8.230 nan 0.000 0.418 237 C N 3.965 123.025 119.300 -0.400 0.000 2.316 237 C HA 0.519 4.979 4.460 -0.000 0.000 0.324 237 C C -0.055 174.844 174.990 -0.151 0.000 1.226 237 C CA -0.790 58.154 59.018 -0.124 0.000 1.450 237 C CB -0.428 27.429 27.740 0.195 0.000 2.123 237 C HN 0.584 nan 8.230 nan 0.000 0.454 238 F N 4.786 124.837 119.950 0.167 0.000 2.506 238 F HA 0.232 4.759 4.527 -0.000 0.000 0.371 238 F C 1.112 177.024 175.800 0.186 0.000 1.078 238 F CA 0.451 58.569 58.000 0.196 0.000 1.195 238 F CB 0.441 39.677 39.000 0.393 0.000 1.099 238 F HN 0.525 nan 8.300 nan 0.000 0.548 239 D N 2.416 122.938 120.400 0.203 0.000 2.329 239 D HA 0.142 4.782 4.640 -0.000 0.000 0.246 239 D C 0.348 176.629 176.300 -0.031 0.000 1.111 239 D CA 0.059 54.052 54.000 -0.011 0.000 0.941 239 D CB 0.765 41.527 40.800 -0.062 0.000 1.169 239 D HN 0.657 nan 8.370 nan 0.000 0.441 240 H N -0.242 118.699 119.070 -0.215 0.000 3.083 240 H HA 0.168 4.723 4.556 -0.000 0.000 0.217 240 H C -0.687 174.413 175.328 -0.381 0.000 1.397 240 H CA -0.481 55.276 56.048 -0.486 0.000 1.248 240 H CB -0.411 28.640 29.762 -1.184 0.000 2.199 240 H HN 0.323 nan 8.280 nan 0.000 0.521 241 D N 2.576 122.835 120.400 -0.236 0.000 2.699 241 D HA -0.198 4.441 4.640 -0.000 0.000 0.239 241 D C -0.270 175.932 176.300 -0.162 0.000 1.136 241 D CA 1.298 55.204 54.000 -0.156 0.000 0.668 241 D CB -1.315 39.422 40.800 -0.106 0.000 1.060 241 D HN 0.835 nan 8.370 nan 0.000 0.429 242 N N -1.331 117.215 118.700 -0.257 0.000 2.553 242 N HA 0.307 5.047 4.740 -0.000 0.000 0.298 242 N C 1.392 176.809 175.510 -0.154 0.000 1.596 242 N CA 0.233 53.154 53.050 -0.215 0.000 0.910 242 N CB 0.146 38.401 38.487 -0.386 0.000 1.336 242 N HN 0.174 nan 8.380 nan 0.000 0.497 243 S N 1.055 116.689 115.700 -0.109 0.000 2.370 243 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 243 S C 2.140 176.705 174.600 -0.058 0.000 1.033 243 S CA 2.417 60.572 58.200 -0.076 0.000 1.011 243 S CB -0.508 62.660 63.200 -0.053 0.000 0.852 243 S HN 0.624 nan 8.310 nan 0.000 0.457 244 K N 0.778 121.152 120.400 -0.044 0.000 2.103 244 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 244 K C 1.849 178.428 176.600 -0.035 0.000 1.048 244 K CA 1.882 58.152 56.287 -0.029 0.000 0.930 244 K CB -1.245 31.247 32.500 -0.013 0.000 0.716 244 K HN 0.566 nan 8.250 nan 0.000 0.444 245 D N -0.555 119.820 120.400 -0.041 0.000 2.123 245 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 245 D C 2.039 178.288 176.300 -0.085 0.000 0.976 245 D CA 1.067 55.042 54.000 -0.041 0.000 0.831 245 D CB 0.048 40.837 40.800 -0.019 0.000 0.974 245 D HN 0.255 nan 8.370 nan 0.000 0.469 246 M N 0.613 120.148 119.600 -0.109 0.000 2.117 246 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 246 M C 1.357 177.566 176.300 -0.153 0.000 1.065 246 M CA 1.196 56.404 55.300 -0.154 0.000 1.114 246 M CB -0.760 31.773 32.600 -0.113 0.000 1.361 246 M HN 0.005 nan 8.290 nan 0.000 0.408 247 D N 0.595 120.941 120.400 -0.089 0.000 2.123 247 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 247 D C 2.011 178.271 176.300 -0.067 0.000 0.992 247 D CA 1.742 55.705 54.000 -0.062 0.000 0.833 247 D CB -0.194 40.586 40.800 -0.033 0.000 0.954 247 D HN 0.327 nan 8.370 nan 0.000 0.455 248 A N 1.372 124.153 122.820 -0.065 0.000 1.877 248 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 248 A C 2.193 179.729 177.584 -0.080 0.000 1.186 248 A CA 0.971 52.977 52.037 -0.051 0.000 0.620 248 A CB -0.830 18.150 19.000 -0.034 0.000 0.822 248 A HN 0.284 nan 8.150 nan 0.000 0.443 249 L N -0.525 120.606 121.223 -0.154 0.000 1.989 249 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 249 L C 2.420 179.116 176.870 -0.290 0.000 1.071 249 L CA 2.593 57.280 54.840 -0.254 0.000 0.749 249 L CB -0.651 41.145 42.059 -0.439 0.000 0.890 249 L HN 0.485 nan 8.230 nan 0.000 0.431 250 M N -0.566 118.808 119.600 -0.376 0.000 2.549 250 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 250 M C 1.861 178.203 176.300 0.071 0.000 1.076 250 M CA 1.149 56.342 55.300 -0.179 0.000 1.090 250 M CB -0.364 32.167 32.600 -0.114 0.000 1.418 250 M HN 0.399 nan 8.290 nan 0.000 0.486 251 A N 0.009 122.839 122.820 0.017 0.000 2.195 251 A HA 0.061 4.381 4.320 -0.000 0.000 0.210 251 A C 1.199 178.815 177.584 0.053 0.000 1.165 251 A CA 0.369 52.429 52.037 0.039 0.000 0.806 251 A CB -0.536 18.472 19.000 0.014 0.000 0.847 251 A HN 0.464 nan 8.150 nan 0.000 0.482 252 T N -2.057 112.538 114.554 0.068 0.000 2.913 252 T HA 0.322 4.672 4.350 -0.000 0.000 0.297 252 T C -1.254 173.496 174.700 0.084 0.000 1.029 252 T CA -1.172 60.969 62.100 0.070 0.000 1.104 252 T CB 1.255 70.167 68.868 0.074 0.000 0.964 252 T HN 0.088 nan 8.240 nan 0.000 0.532 253 P HA -0.076 nan 4.420 nan 0.000 0.218 253 P C 1.753 179.058 177.300 0.008 0.000 1.149 253 P CA 0.502 63.615 63.100 0.023 0.000 0.817 253 P CB 0.127 31.832 31.700 0.009 0.000 0.785 254 L N -1.151 120.088 121.223 0.027 0.000 1.994 254 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 254 L C 2.595 179.449 176.870 -0.026 0.000 1.071 254 L CA 1.886 56.728 54.840 0.003 0.000 0.745 254 L CB -0.837 41.246 42.059 0.040 0.000 0.892 254 L HN 0.074 nan 8.230 nan 0.000 0.431 255 W N 0.906 122.136 121.300 -0.116 0.000 2.363 255 W HA -0.236 4.424 4.660 0.001 0.000 0.296 255 W C 2.255 178.665 176.519 -0.181 0.000 1.212 255 W CA 1.516 58.760 57.345 -0.168 0.000 1.260 255 W CB -0.128 29.247 29.460 -0.142 0.000 1.131 255 W HN 0.395 nan 8.180 nan 0.000 0.530 256 Q N -0.315 119.445 119.800 -0.067 0.000 2.297 256 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 256 Q C 2.218 178.093 176.000 -0.209 0.000 0.962 256 Q CA 1.239 56.968 55.803 -0.124 0.000 0.879 256 Q CB -0.297 28.437 28.738 -0.007 0.000 0.947 256 Q HN 0.212 nan 8.270 nan 0.000 0.462 257 A N 0.348 123.041 122.820 -0.212 0.000 2.132 257 A HA 0.060 4.380 4.320 -0.000 0.000 0.213 257 A C 0.971 178.363 177.584 -0.320 0.000 1.154 257 A CA -0.242 51.672 52.037 -0.205 0.000 0.753 257 A CB -0.070 18.849 19.000 -0.134 0.000 0.826 257 A HN 0.253 nan 8.150 nan 0.000 0.469 258 M N 1.780 121.068 119.600 -0.520 0.000 2.323 258 M HA 0.023 4.503 4.480 -0.000 0.000 0.386 258 M C -1.323 174.570 176.300 -0.678 0.000 1.525 258 M CA -1.707 53.121 55.300 -0.786 0.000 0.914 258 M CB 0.350 32.065 32.600 -1.475 0.000 2.042 258 M HN 0.030 nan 8.290 nan 0.000 0.483 259 P HA -0.224 nan 4.420 nan 0.000 0.216 259 P C 1.166 178.350 177.300 -0.193 0.000 1.153 259 P CA 1.923 64.871 63.100 -0.253 0.000 0.858 259 P CB -0.538 31.095 31.700 -0.113 0.000 0.789 260 F N -0.965 118.932 119.950 -0.088 0.000 2.407 260 F HA 0.006 4.532 4.527 -0.000 0.000 0.299 260 F C 1.848 177.607 175.800 -0.070 0.000 1.097 260 F CA 0.307 58.282 58.000 -0.041 0.000 1.422 260 F CB -2.071 36.941 39.000 0.020 0.000 1.067 260 F HN -0.298 nan 8.300 nan 0.000 0.539 261 V N 1.193 120.899 119.914 -0.347 0.000 2.323 261 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 261 V C 2.585 178.617 176.094 -0.104 0.000 1.041 261 V CA 1.979 64.140 62.300 -0.231 0.000 1.025 261 V CB -0.653 30.746 31.823 -0.707 0.000 0.656 261 V HN 0.234 nan 8.190 nan 0.000 0.451 262 R N 0.474 120.871 120.500 -0.172 0.000 2.148 262 R HA -0.018 4.322 4.340 -0.000 0.000 0.227 262 R C 2.173 178.459 176.300 -0.024 0.000 1.103 262 R CA 1.255 57.301 56.100 -0.089 0.000 0.983 262 R CB -0.507 29.726 30.300 -0.111 0.000 0.874 262 R HN 0.515 nan 8.270 nan 0.000 0.451 263 A N 0.180 123.002 122.820 0.002 0.000 2.167 263 A HA 0.168 4.488 4.320 -0.000 0.000 0.214 263 A C 1.446 179.069 177.584 0.065 0.000 1.151 263 A CA 0.790 52.853 52.037 0.042 0.000 0.735 263 A CB -0.308 18.736 19.000 0.073 0.000 0.802 263 A HN 0.417 nan 8.150 nan 0.000 0.467 264 G N -0.896 107.954 108.800 0.083 0.000 2.182 264 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 264 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 264 G C 0.636 175.610 174.900 0.124 0.000 1.042 264 G CA 0.376 45.536 45.100 0.100 0.000 0.775 264 G HN 0.424 nan 8.290 nan 0.000 0.501 265 R N -1.127 119.482 120.500 0.181 0.000 2.397 265 R HA 0.253 4.593 4.340 -0.000 0.000 0.241 265 R C 0.414 176.838 176.300 0.208 0.000 0.914 265 R CA -0.330 55.868 56.100 0.164 0.000 1.071 265 R CB 0.276 30.673 30.300 0.162 0.000 1.116 265 R HN 0.441 nan 8.270 nan 0.000 0.524 266 F N 1.878 121.920 119.950 0.154 0.000 2.394 266 F HA 0.306 4.832 4.527 -0.000 0.000 0.340 266 F C -0.356 175.513 175.800 0.116 0.000 1.105 266 F CA -0.378 57.724 58.000 0.171 0.000 1.124 266 F CB 0.991 40.216 39.000 0.375 0.000 1.145 266 F HN -0.179 nan 8.300 nan 0.000 0.505 267 Q N 5.543 124.842 119.800 -0.835 0.000 2.289 267 Q HA 0.387 4.727 4.340 -0.000 0.000 0.270 267 Q C -0.986 174.516 176.000 -0.829 0.000 1.038 267 Q CA -1.030 54.389 55.803 -0.639 0.000 0.812 267 Q CB 2.576 31.117 28.738 -0.329 0.000 1.300 267 Q HN 0.615 nan 8.270 nan 0.000 0.427 268 R N 1.220 121.406 120.500 -0.523 0.000 2.349 268 R HA 0.514 4.854 4.340 -0.000 0.000 0.299 268 R C -0.214 175.948 176.300 -0.229 0.000 1.027 268 R CA -0.273 55.628 56.100 -0.332 0.000 0.958 268 R CB 1.139 31.357 30.300 -0.136 0.000 1.047 268 R HN 0.467 nan 8.270 nan 0.000 0.468 269 V N 0.611 120.401 119.914 -0.207 0.000 3.102 269 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 269 V C -2.669 173.427 176.094 0.003 0.000 1.135 269 V CA -3.050 59.170 62.300 -0.133 0.000 1.022 269 V CB 2.045 33.729 31.823 -0.233 0.000 1.056 269 V HN 0.546 nan 8.190 nan 0.000 0.436 270 P HA 0.328 nan 4.420 nan 0.000 0.270 270 P C -0.232 177.190 177.300 0.202 0.000 1.223 270 P CA 0.275 63.439 63.100 0.107 0.000 0.785 270 P CB 0.304 32.070 31.700 0.110 0.000 0.923 271 A N 1.798 124.700 122.820 0.137 0.000 2.531 271 A HA 0.356 4.676 4.320 -0.000 0.000 0.236 271 A C -0.276 177.280 177.584 -0.047 0.000 1.062 271 A CA 0.421 52.517 52.037 0.099 0.000 0.760 271 A CB -0.407 18.592 19.000 -0.002 0.000 0.995 271 A HN 0.366 nan 8.150 nan 0.000 0.501 272 V N 3.044 122.795 119.914 -0.272 0.000 2.668 272 V HA 0.217 4.337 4.120 -0.000 0.000 0.304 272 V C -0.388 175.371 176.094 -0.558 0.000 1.071 272 V CA -0.701 61.335 62.300 -0.440 0.000 0.894 272 V CB 1.824 33.350 31.823 -0.496 0.000 1.008 272 V HN 1.030 nan 8.190 nan 0.000 0.425 273 W N 5.281 126.253 121.300 -0.547 0.000 2.368 273 W HA 0.220 4.881 4.660 0.001 0.000 0.316 273 W C 0.107 176.180 176.519 -0.744 0.000 1.375 273 W CA -0.434 56.497 57.345 -0.690 0.000 1.261 273 W CB 0.747 30.019 29.460 -0.313 0.000 1.298 273 W HN 0.786 nan 8.180 nan 0.000 0.539 274 F N 3.625 122.874 119.950 -1.169 0.000 2.710 274 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 274 F C 0.548 175.373 175.800 -1.624 0.000 1.137 274 F CA 0.157 57.212 58.000 -1.575 0.000 1.444 274 F CB -0.473 37.426 39.000 -1.835 0.000 1.111 274 F HN 0.292 nan 8.300 nan 0.000 0.580 275 Y N 0.297 119.771 120.300 -1.376 0.000 2.734 275 Y HA 0.512 5.061 4.550 -0.000 0.000 0.278 275 Y C 1.265 176.959 175.900 -0.344 0.000 1.108 275 Y CA -0.868 56.581 58.100 -1.085 0.000 1.211 275 Y CB -0.022 37.742 38.460 -1.159 0.000 1.182 275 Y HN 0.012 nan 8.280 nan 0.000 0.547 276 G N 0.348 109.166 108.800 0.029 0.000 3.075 276 G HA2 0.721 4.681 3.960 -0.000 0.000 0.156 276 G HA3 0.721 4.681 3.960 -0.000 0.000 0.156 276 G C -0.047 175.049 174.900 0.327 0.000 1.403 276 G CA 0.198 45.537 45.100 0.398 0.000 1.033 276 G HN 0.326 nan 8.290 nan 0.000 0.589 277 A N -2.189 120.754 122.820 0.205 0.000 3.955 277 A HA 0.592 4.912 4.320 -0.000 0.000 0.175 277 A C 1.852 179.460 177.584 0.041 0.000 0.682 277 A CA 1.209 53.296 52.037 0.083 0.000 0.834 277 A CB -0.373 18.656 19.000 0.049 0.000 1.657 277 A HN 1.075 nan 8.150 nan 0.000 0.820 278 T N -0.561 113.973 114.554 -0.034 0.000 2.788 278 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 278 T C 1.757 176.588 174.700 0.219 0.000 1.044 278 T CA 1.814 63.867 62.100 -0.079 0.000 1.139 278 T CB -0.649 68.111 68.868 -0.181 0.000 0.867 278 T HN 0.333 nan 8.240 nan 0.000 0.454 279 L N 0.859 122.208 121.223 0.210 0.000 2.056 279 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 279 L C 3.168 180.199 176.870 0.268 0.000 1.078 279 L CA 1.310 56.289 54.840 0.232 0.000 0.749 279 L CB -0.761 41.393 42.059 0.158 0.000 0.901 279 L HN 0.304 nan 8.230 nan 0.000 0.433 280 S N 0.059 115.911 115.700 0.253 0.000 2.382 280 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 280 S C 2.192 177.002 174.600 0.350 0.000 1.027 280 S CA 1.170 59.539 58.200 0.281 0.000 0.991 280 S CB -0.224 63.093 63.200 0.196 0.000 0.823 280 S HN 0.487 nan 8.310 nan 0.000 0.469 281 A N 1.672 124.696 122.820 0.340 0.000 1.902 281 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 281 A C 2.138 180.063 177.584 0.568 0.000 1.181 281 A CA 1.448 53.760 52.037 0.458 0.000 0.623 281 A CB -0.586 18.680 19.000 0.443 0.000 0.818 281 A HN 0.483 nan 8.150 nan 0.000 0.443 282 M N -1.740 118.182 119.600 0.536 0.000 2.229 282 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 282 M C 2.232 178.816 176.300 0.474 0.000 1.063 282 M CA 1.590 57.203 55.300 0.521 0.000 1.114 282 M CB -0.521 32.248 32.600 0.282 0.000 1.387 282 M HN 0.634 nan 8.290 nan 0.000 0.420 283 H N 0.439 119.679 119.070 0.283 0.000 2.389 283 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 283 H C 1.756 177.258 175.328 0.291 0.000 1.081 283 H CA 1.595 57.777 56.048 0.223 0.000 1.345 283 H CB -0.496 29.369 29.762 0.171 0.000 1.393 283 H HN 0.410 nan 8.280 nan 0.000 0.520 284 F N 0.242 120.338 119.950 0.242 0.000 2.102 284 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 284 F C 2.270 178.192 175.800 0.204 0.000 1.105 284 F CA 1.489 59.577 58.000 0.147 0.000 1.239 284 F CB -0.378 38.760 39.000 0.230 0.000 0.991 284 F HN 0.009 nan 8.300 nan 0.000 0.474 285 V N 1.296 121.287 119.914 0.128 0.000 2.332 285 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 285 V C 2.433 178.610 176.094 0.138 0.000 1.055 285 V CA 2.277 64.623 62.300 0.077 0.000 1.038 285 V CB -0.794 31.223 31.823 0.324 0.000 0.651 285 V HN 0.329 nan 8.190 nan 0.000 0.450 286 R N -0.445 120.220 120.500 0.276 0.000 2.081 286 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 286 R C 2.266 178.641 176.300 0.124 0.000 1.131 286 R CA 1.443 57.690 56.100 0.245 0.000 0.960 286 R CB -0.583 29.887 30.300 0.284 0.000 0.856 286 R HN 0.417 nan 8.270 nan 0.000 0.436 287 V N 1.734 121.700 119.914 0.088 0.000 2.358 287 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 287 V C 2.372 178.414 176.094 -0.087 0.000 1.047 287 V CA 1.417 63.728 62.300 0.018 0.000 1.035 287 V CB -0.479 31.370 31.823 0.043 0.000 0.658 287 V HN 0.349 nan 8.190 nan 0.000 0.452 288 L N 0.185 121.255 121.223 -0.255 0.000 2.046 288 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 288 L C 2.375 179.283 176.870 0.063 0.000 1.077 288 L CA 2.526 57.193 54.840 -0.289 0.000 0.747 288 L CB -0.554 41.079 42.059 -0.711 0.000 0.896 288 L HN 0.464 nan 8.230 nan 0.000 0.432 289 D N 0.082 120.566 120.400 0.141 0.000 2.078 289 D HA -0.216 4.423 4.640 -0.000 0.000 0.193 289 D C 1.797 178.083 176.300 -0.023 0.000 0.990 289 D CA 1.435 55.488 54.000 0.089 0.000 0.827 289 D CB -0.059 40.760 40.800 0.032 0.000 0.975 289 D HN 0.234 nan 8.370 nan 0.000 0.451 290 N N 0.189 118.884 118.700 -0.009 0.000 2.205 290 N HA -0.126 4.613 4.740 -0.000 0.000 0.186 290 N C 1.598 177.084 175.510 -0.039 0.000 1.015 290 N CA 1.354 54.389 53.050 -0.026 0.000 0.862 290 N CB -0.425 38.059 38.487 -0.005 0.000 0.986 290 N HN 0.307 nan 8.380 nan 0.000 0.429 291 A N 0.880 123.675 122.820 -0.042 0.000 1.898 291 A HA 0.066 4.386 4.320 -0.000 0.000 0.214 291 A C 1.880 179.441 177.584 -0.038 0.000 1.183 291 A CA 1.073 53.074 52.037 -0.062 0.000 0.622 291 A CB -0.166 18.770 19.000 -0.106 0.000 0.824 291 A HN 0.418 nan 8.150 nan 0.000 0.444 292 I N -4.374 116.201 120.570 0.009 0.000 4.310 292 I HA 0.429 4.599 4.170 -0.000 0.000 0.328 292 I C 0.861 176.985 176.117 0.011 0.000 1.406 292 I CA -0.178 61.143 61.300 0.034 0.000 1.174 292 I CB -0.041 38.006 38.000 0.079 0.000 1.279 292 I HN 0.095 nan 8.210 nan 0.000 0.471 293 G N 0.000 108.740 108.800 -0.099 0.000 5.446 293 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 293 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 293 G CA 0.000 44.834 45.100 -0.443 0.000 0.502 293 G HN 0.000 nan 8.290 nan 0.000 0.925