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 1giu_1_A DATA FIRST_RESID 1 DATA SEQUENCE DVSFRLSGAT SSSYGVFISN LRKALPNERK LYDIPLLRSS LPGSQRYALI DATA SEQUENCE HLTNYADETI SVAIDVTNVY IMGYRAGDTS YFFNRASATE AAKYVFKDAM DATA SEQUENCE RKVTLPYSGN YERLQTAAGK IRENIPLGLP ALDSAITTLF YYNANSAASA DATA SEQUENCE LMVLIQSTSE AARYKFIEQQ IGKRVDKTFL PSLAIISLEN SWSALSKQIQ DATA SEQUENCE IASTNNGQFE SPVVLINAQN QRVTITNVDA GVVTSNIALL LNRNNMA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1 D C 0.000 176.391 176.300 0.151 0.000 2.045 1 D CA 0.000 54.081 54.000 0.135 0.000 0.868 1 D CB 0.000 40.962 40.800 0.271 0.000 0.688 2 V N 0.688 120.701 119.914 0.165 0.000 2.925 2 V HA 0.816 4.932 4.120 -0.006 0.000 0.311 2 V C -0.807 175.469 176.094 0.303 0.000 1.104 2 V CA -0.252 62.186 62.300 0.231 0.000 0.954 2 V CB 2.312 34.252 31.823 0.195 0.000 1.022 2 V HN 0.605 8.795 8.190 -0.000 0.000 0.427 3 S N 3.244 119.137 115.700 0.320 0.000 2.570 3 S HA 0.817 5.284 4.470 -0.006 0.000 0.286 3 S C -1.607 173.071 174.600 0.129 0.000 1.099 3 S CA -0.409 57.927 58.200 0.226 0.000 0.913 3 S CB 1.922 65.237 63.200 0.192 0.000 1.085 3 S HN 0.601 8.911 8.310 -0.000 0.000 0.480 4 F N 2.033 121.803 119.950 -0.300 0.000 2.574 4 F HA 0.566 5.089 4.527 -0.006 0.000 0.313 4 F C -1.053 174.599 175.800 -0.247 0.000 1.130 4 F CA -0.726 56.998 58.000 -0.459 0.000 0.936 4 F CB 1.268 39.511 39.000 -1.262 0.000 1.219 4 F HN 0.487 8.787 8.300 -0.000 0.000 0.445 5 R N 6.656 126.695 120.500 -0.769 0.000 2.343 5 R HA 0.436 4.773 4.340 -0.006 0.000 0.320 5 R C 0.433 176.203 176.300 -0.883 0.000 0.956 5 R CA -0.699 55.030 56.100 -0.619 0.000 0.836 5 R CB 1.895 32.011 30.300 -0.307 0.000 1.151 5 R HN 0.824 9.094 8.270 -0.000 0.000 0.450 6 L N 0.963 121.785 121.223 -0.669 0.000 2.217 6 L HA -0.026 4.310 4.340 -0.006 0.000 0.211 6 L C 1.142 177.961 176.870 -0.086 0.000 1.107 6 L CA 0.983 55.517 54.840 -0.509 0.000 0.783 6 L CB 0.056 41.710 42.059 -0.674 0.000 0.919 6 L HN 0.488 8.718 8.230 -0.000 0.000 0.442 7 S N 0.109 115.778 115.700 -0.051 0.000 2.481 7 S HA 0.306 4.773 4.470 -0.006 0.000 0.282 7 S C 1.116 175.715 174.600 -0.001 0.000 1.243 7 S CA 0.385 58.634 58.200 0.081 0.000 1.078 7 S CB 0.088 63.298 63.200 0.017 0.000 0.916 7 S HN 0.594 8.904 8.310 -0.000 0.000 0.495 8 G N 3.165 111.980 108.800 0.025 0.000 2.148 8 G HA2 -0.159 3.798 3.960 -0.006 0.000 0.254 8 G HA3 -0.159 3.798 3.960 -0.006 0.000 0.254 8 G C 0.301 175.212 174.900 0.018 0.000 0.981 8 G CA 0.080 45.182 45.100 0.004 0.000 0.670 8 G HN 1.375 9.665 8.290 -0.000 0.000 0.528 9 A N -0.139 122.699 122.820 0.030 0.000 2.425 9 A HA 0.781 5.098 4.320 -0.006 0.000 0.242 9 A C 0.889 178.558 177.584 0.143 0.000 1.077 9 A CA 1.406 53.492 52.037 0.082 0.000 0.781 9 A CB 0.427 19.486 19.000 0.098 0.000 1.020 9 A HN 1.926 10.076 8.150 -0.000 0.000 0.494 10 T N -1.874 112.799 114.554 0.199 0.000 2.865 10 T HA 0.496 4.842 4.350 -0.006 0.000 0.294 10 T C 0.998 175.819 174.700 0.202 0.000 1.119 10 T CA 0.067 62.261 62.100 0.157 0.000 1.007 10 T CB 1.041 69.978 68.868 0.114 0.000 1.225 10 T HN 0.422 8.662 8.240 -0.000 0.000 0.515 11 S N 0.855 116.636 115.700 0.134 0.000 2.365 11 S HA -0.145 4.322 4.470 -0.006 0.000 0.225 11 S C 2.258 176.967 174.600 0.180 0.000 1.039 11 S CA 1.921 60.202 58.200 0.135 0.000 1.033 11 S CB -0.811 62.431 63.200 0.071 0.000 0.887 11 S HN 0.735 9.045 8.310 -0.000 0.000 0.447 12 S N 1.513 117.299 115.700 0.142 0.000 2.370 12 S HA -0.131 4.335 4.470 -0.006 0.000 0.226 12 S C 2.364 177.069 174.600 0.174 0.000 1.033 12 S CA 1.452 59.732 58.200 0.133 0.000 1.011 12 S CB -0.452 62.807 63.200 0.098 0.000 0.852 12 S HN 0.789 9.099 8.310 -0.000 0.000 0.457 13 S N 0.323 116.166 115.700 0.238 0.000 2.406 13 S HA -0.099 4.368 4.470 -0.006 0.000 0.228 13 S C 1.740 176.589 174.600 0.416 0.000 1.020 13 S CA 0.755 59.141 58.200 0.310 0.000 0.965 13 S CB -0.693 62.697 63.200 0.318 0.000 0.798 13 S HN 0.578 8.888 8.310 -0.000 0.000 0.488 14 Y N 2.827 123.270 120.300 0.239 0.000 2.200 14 Y HA 0.117 4.664 4.550 -0.005 0.000 0.290 14 Y C 2.489 178.381 175.900 -0.012 0.000 1.137 14 Y CA 1.125 59.189 58.100 -0.060 0.000 1.163 14 Y CB -1.042 37.370 38.460 -0.079 0.000 0.988 14 Y HN 0.293 8.573 8.280 -0.000 0.000 0.518 15 G N -0.488 108.344 108.800 0.053 0.000 2.440 15 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.218 15 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.218 15 G C 1.742 176.595 174.900 -0.079 0.000 1.154 15 G CA 1.413 46.481 45.100 -0.054 0.000 0.767 15 G HN 0.361 8.651 8.290 -0.000 0.000 0.552 16 V N 0.667 120.595 119.914 0.024 0.000 2.332 16 V HA -0.165 3.951 4.120 -0.006 0.000 0.248 16 V C 2.350 178.462 176.094 0.029 0.000 1.055 16 V CA 1.938 64.263 62.300 0.042 0.000 1.038 16 V CB -0.658 31.230 31.823 0.110 0.000 0.651 16 V HN 0.418 8.608 8.190 -0.000 0.000 0.450 17 F N 0.797 120.672 119.950 -0.125 0.000 2.069 17 F HA -0.194 4.330 4.527 -0.005 0.000 0.298 17 F C 2.169 177.808 175.800 -0.268 0.000 1.113 17 F CA 1.666 59.563 58.000 -0.171 0.000 1.214 17 F CB -0.442 38.364 39.000 -0.325 0.000 0.978 17 F HN 0.039 8.339 8.300 -0.000 0.000 0.474 18 I N 0.430 120.512 120.570 -0.813 0.000 2.226 18 I HA -0.242 3.925 4.170 -0.006 0.000 0.245 18 I C 2.484 178.324 176.117 -0.461 0.000 1.100 18 I CA 1.513 62.299 61.300 -0.856 0.000 1.374 18 I CB -1.808 35.757 38.000 -0.726 0.000 1.057 18 I HN 0.187 8.397 8.210 -0.000 0.000 0.413 19 S N 1.048 116.578 115.700 -0.283 0.000 2.368 19 S HA -0.191 4.276 4.470 -0.006 0.000 0.225 19 S C 1.728 176.241 174.600 -0.144 0.000 1.030 19 S CA 1.572 59.674 58.200 -0.164 0.000 0.999 19 S CB -0.699 62.448 63.200 -0.087 0.000 0.844 19 S HN 0.540 8.850 8.310 -0.000 0.000 0.459 20 N N 1.108 119.730 118.700 -0.130 0.000 2.166 20 N HA -0.087 4.650 4.740 -0.006 0.000 0.186 20 N C 1.736 177.175 175.510 -0.118 0.000 1.019 20 N CA 0.989 53.997 53.050 -0.071 0.000 0.856 20 N CB -0.241 38.255 38.487 0.015 0.000 0.993 20 N HN 0.184 8.564 8.380 -0.000 0.000 0.426 21 L N 1.806 122.870 121.223 -0.265 0.000 2.017 21 L HA -0.089 4.248 4.340 -0.006 0.000 0.208 21 L C 2.015 178.775 176.870 -0.182 0.000 1.073 21 L CA 1.538 56.216 54.840 -0.269 0.000 0.745 21 L CB -0.404 41.329 42.059 -0.542 0.000 0.894 21 L HN 0.008 8.238 8.230 -0.000 0.000 0.432 22 R N -0.318 120.066 120.500 -0.193 0.000 2.091 22 R HA -0.166 4.171 4.340 -0.006 0.000 0.238 22 R C 2.279 178.533 176.300 -0.077 0.000 1.136 22 R CA 1.810 57.836 56.100 -0.124 0.000 0.959 22 R CB -0.331 29.900 30.300 -0.115 0.000 0.856 22 R HN 0.394 8.664 8.270 -0.000 0.000 0.437 23 K N 0.264 120.621 120.400 -0.071 0.000 2.097 23 K HA -0.075 4.242 4.320 -0.006 0.000 0.206 23 K C 2.074 178.655 176.600 -0.032 0.000 1.049 23 K CA 1.272 57.534 56.287 -0.041 0.000 0.933 23 K CB -0.110 32.371 32.500 -0.032 0.000 0.717 23 K HN 0.154 8.404 8.250 -0.000 0.000 0.442 24 A N 1.340 124.139 122.820 -0.036 0.000 2.070 24 A HA -0.056 4.261 4.320 -0.006 0.000 0.220 24 A C 0.899 178.468 177.584 -0.025 0.000 1.159 24 A CA 0.757 52.782 52.037 -0.020 0.000 0.656 24 A CB -0.512 18.480 19.000 -0.014 0.000 0.800 24 A HN 0.139 8.289 8.150 -0.000 0.000 0.453 25 L N 0.695 121.899 121.223 -0.033 0.000 2.331 25 L HA 0.299 4.636 4.340 -0.006 0.000 0.278 25 L C -2.465 174.390 176.870 -0.026 0.000 1.106 25 L CA -2.006 52.817 54.840 -0.029 0.000 0.824 25 L CB 0.521 42.568 42.059 -0.021 0.000 1.142 25 L HN -0.009 8.221 8.230 -0.000 0.000 0.443 26 P HA 0.130 4.550 4.420 -0.000 0.000 0.271 26 P C -1.185 176.098 177.300 -0.028 0.000 1.216 26 P CA -0.274 62.807 63.100 -0.033 0.000 0.776 26 P CB 0.537 32.210 31.700 -0.045 0.000 0.881 27 N N 1.044 119.729 118.700 -0.026 0.000 2.371 27 N HA 0.133 4.869 4.740 -0.006 0.000 0.280 27 N C -0.370 175.124 175.510 -0.027 0.000 1.084 27 N CA -0.590 52.446 53.050 -0.025 0.000 0.892 27 N CB 1.750 40.226 38.487 -0.018 0.000 1.653 27 N HN 0.225 8.605 8.380 -0.000 0.000 0.480 28 E N 0.618 120.800 120.200 -0.030 0.000 2.251 28 E HA 0.172 4.518 4.350 -0.006 0.000 0.194 28 E C -0.090 176.490 176.600 -0.033 0.000 0.964 28 E CA 0.467 56.849 56.400 -0.030 0.000 0.868 28 E CB 0.614 30.295 29.700 -0.033 0.000 0.828 28 E HN 0.489 8.849 8.360 -0.000 0.000 0.481 29 R N 0.494 120.972 120.500 -0.037 0.000 2.873 29 R HA 0.501 4.838 4.340 -0.006 0.000 0.264 29 R C -0.584 175.691 176.300 -0.043 0.000 1.026 29 R CA -0.601 55.473 56.100 -0.044 0.000 1.002 29 R CB 1.712 31.980 30.300 -0.054 0.000 1.174 29 R HN -0.190 8.080 8.270 -0.000 0.000 0.488 30 K N 1.093 121.462 120.400 -0.052 0.000 2.426 30 K HA 0.495 4.812 4.320 -0.006 0.000 0.251 30 K C -1.468 175.077 176.600 -0.092 0.000 0.941 30 K CA -0.948 55.310 56.287 -0.048 0.000 0.808 30 K CB 1.740 34.221 32.500 -0.032 0.000 1.265 30 K HN 0.014 8.264 8.250 -0.000 0.000 0.432 31 L N 2.881 124.049 121.223 -0.091 0.000 2.381 31 L HA 0.344 4.680 4.340 -0.006 0.000 0.274 31 L C -0.918 175.888 176.870 -0.107 0.000 0.988 31 L CA -0.413 54.288 54.840 -0.233 0.000 0.824 31 L CB 0.564 42.531 42.059 -0.154 0.000 1.263 31 L HN 0.595 8.825 8.230 -0.000 0.000 0.410 32 Y N 1.968 122.275 120.300 0.012 0.000 3.305 32 Y HA -0.277 4.271 4.550 -0.003 0.000 0.212 32 Y C 1.174 177.085 175.900 0.019 0.000 1.248 32 Y CA 0.835 58.947 58.100 0.021 0.000 1.359 32 Y CB -1.961 36.521 38.460 0.036 0.000 1.407 32 Y HN 0.837 9.117 8.280 -0.000 0.000 0.572 33 D N -1.131 119.306 120.400 0.062 0.000 3.059 33 D HA -0.227 4.409 4.640 -0.006 0.000 0.220 33 D C -0.354 175.978 176.300 0.054 0.000 1.169 33 D CA 1.438 55.468 54.000 0.049 0.000 0.902 33 D CB -0.935 39.901 40.800 0.060 0.000 1.116 33 D HN 0.617 8.987 8.370 -0.000 0.000 0.417 34 I N 0.132 120.740 120.570 0.063 0.000 2.354 34 I HA 0.356 4.523 4.170 -0.006 0.000 0.292 34 I C -2.069 174.065 176.117 0.027 0.000 0.989 34 I CA -2.173 59.161 61.300 0.057 0.000 1.188 34 I CB 1.867 39.920 38.000 0.089 0.000 1.342 34 I HN -0.228 7.982 8.210 -0.000 0.000 0.457 35 P HA -0.001 4.419 4.420 -0.000 0.000 0.264 35 P C -0.855 176.450 177.300 0.009 0.000 1.193 35 P CA -0.133 62.971 63.100 0.007 0.000 0.763 35 P CB 0.474 32.178 31.700 0.007 0.000 0.810 36 L N 5.482 126.699 121.223 -0.011 0.000 2.265 36 L HA 0.306 4.643 4.340 -0.006 0.000 0.289 36 L C -0.727 176.131 176.870 -0.020 0.000 1.033 36 L CA -0.245 54.581 54.840 -0.025 0.000 0.814 36 L CB 0.040 42.073 42.059 -0.044 0.000 1.203 36 L HN 0.210 8.440 8.230 -0.000 0.000 0.423 37 L N 4.774 125.993 121.223 -0.007 0.000 2.452 37 L HA 0.325 4.662 4.340 -0.006 0.000 0.267 37 L C 0.732 177.585 176.870 -0.028 0.000 1.188 37 L CA -0.673 54.167 54.840 0.001 0.000 0.821 37 L CB 0.117 42.207 42.059 0.051 0.000 1.102 37 L HN 0.578 8.808 8.230 -0.000 0.000 0.470 38 R N 0.773 121.253 120.500 -0.034 0.000 2.643 38 R HA 0.029 4.366 4.340 -0.006 0.000 0.270 38 R C 1.174 177.442 176.300 -0.054 0.000 1.061 38 R CA 0.243 56.314 56.100 -0.048 0.000 1.107 38 R CB 0.666 30.932 30.300 -0.057 0.000 0.999 38 R HN 0.806 9.076 8.270 -0.000 0.000 0.460 39 S N -0.647 115.018 115.700 -0.058 0.000 2.478 39 S HA 0.010 4.477 4.470 -0.006 0.000 0.222 39 S C 0.770 175.331 174.600 -0.066 0.000 1.008 39 S CA 0.162 58.325 58.200 -0.062 0.000 0.928 39 S CB 0.334 63.498 63.200 -0.059 0.000 0.781 39 S HN 0.502 8.812 8.310 -0.000 0.000 0.518 40 S N -0.404 115.254 115.700 -0.070 0.000 2.533 40 S HA 0.720 5.186 4.470 -0.006 0.000 0.271 40 S C -1.585 172.960 174.600 -0.091 0.000 1.143 40 S CA -0.855 57.298 58.200 -0.078 0.000 0.891 40 S CB 1.123 64.285 63.200 -0.062 0.000 1.105 40 S HN 0.393 8.703 8.310 -0.000 0.000 0.468 41 L N 3.369 124.519 121.223 -0.121 0.000 2.424 41 L HA 0.596 4.933 4.340 -0.006 0.000 0.258 41 L C -2.452 174.322 176.870 -0.160 0.000 0.995 41 L CA -2.281 52.477 54.840 -0.137 0.000 0.821 41 L CB 2.619 44.575 42.059 -0.171 0.000 1.383 41 L HN 0.484 8.714 8.230 -0.000 0.000 0.410 42 P HA 0.104 4.524 4.420 -0.000 0.000 0.272 42 P C 0.591 177.732 177.300 -0.265 0.000 1.230 42 P CA -0.176 62.837 63.100 -0.145 0.000 0.788 42 P CB 0.814 32.459 31.700 -0.092 0.000 0.949 43 G N 0.862 109.432 108.800 -0.383 0.000 2.442 43 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.219 43 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.219 43 G C 1.461 175.985 174.900 -0.626 0.000 1.141 43 G CA 1.108 45.670 45.100 -0.897 0.000 0.763 43 G HN 0.591 8.881 8.290 -0.000 0.000 0.554 44 S N -0.533 115.003 115.700 -0.274 0.000 2.507 44 S HA -0.002 4.465 4.470 -0.006 0.000 0.235 44 S C 1.881 176.433 174.600 -0.080 0.000 0.988 44 S CA 1.198 59.356 58.200 -0.070 0.000 0.944 44 S CB -0.031 63.178 63.200 0.015 0.000 0.762 44 S HN 0.560 8.870 8.310 -0.000 0.000 0.526 45 Q N -0.403 119.306 119.800 -0.152 0.000 2.217 45 Q HA 0.327 4.663 4.340 -0.006 0.000 0.217 45 Q C 1.804 177.671 176.000 -0.222 0.000 0.844 45 Q CA -0.206 55.515 55.803 -0.136 0.000 0.957 45 Q CB 0.260 28.930 28.738 -0.113 0.000 1.127 45 Q HN 0.503 8.773 8.270 -0.000 0.000 0.503 46 R N -0.248 120.015 120.500 -0.395 0.000 2.276 46 R HA 0.063 4.399 4.340 -0.006 0.000 0.196 46 R C -0.488 175.272 176.300 -0.899 0.000 0.961 46 R CA 0.518 56.216 56.100 -0.669 0.000 1.024 46 R CB 0.541 30.297 30.300 -0.907 0.000 0.940 46 R HN 0.004 8.274 8.270 -0.000 0.000 0.480 47 Y N -0.905 119.345 120.300 -0.082 0.000 2.446 47 Y HA 0.639 5.186 4.550 -0.005 0.000 0.345 47 Y C -0.185 175.691 175.900 -0.040 0.000 0.984 47 Y CA -1.261 56.808 58.100 -0.052 0.000 1.058 47 Y CB 2.030 40.454 38.460 -0.060 0.000 1.220 47 Y HN -0.097 8.183 8.280 -0.000 0.000 0.455 48 A N 3.121 126.004 122.820 0.104 0.000 2.401 48 A HA 0.839 5.156 4.320 -0.006 0.000 0.310 48 A C -1.830 175.779 177.584 0.042 0.000 1.075 48 A CA -0.742 51.329 52.037 0.057 0.000 0.746 48 A CB 1.137 20.155 19.000 0.030 0.000 1.277 48 A HN 0.578 8.728 8.150 -0.000 0.000 0.425 49 L N 2.399 123.617 121.223 -0.008 0.000 2.307 49 L HA 0.500 4.836 4.340 -0.006 0.000 0.284 49 L C -0.283 176.467 176.870 -0.200 0.000 1.023 49 L CA -0.226 54.550 54.840 -0.106 0.000 0.810 49 L CB 0.653 42.614 42.059 -0.163 0.000 1.231 49 L HN 0.749 8.979 8.230 -0.000 0.000 0.423 50 I N 0.009 120.511 120.570 -0.113 0.000 2.330 50 I HA 0.404 4.571 4.170 -0.006 0.000 0.289 50 I C -0.112 175.940 176.117 -0.109 0.000 1.001 50 I CA -0.192 61.096 61.300 -0.020 0.000 1.193 50 I CB 0.988 39.103 38.000 0.191 0.000 1.345 50 I HN 0.349 8.559 8.210 -0.000 0.000 0.461 51 H N 6.964 126.123 119.070 0.150 0.000 2.552 51 H HA 0.510 5.062 4.556 -0.006 0.000 0.311 51 H C -0.912 174.435 175.328 0.032 0.000 1.071 51 H CA -0.667 55.440 56.048 0.099 0.000 1.307 51 H CB 1.828 31.642 29.762 0.086 0.000 1.416 51 H HN 0.400 8.680 8.280 -0.000 0.000 0.464 52 L N 3.246 124.527 121.223 0.095 0.000 2.333 52 L HA 0.296 4.632 4.340 -0.006 0.000 0.280 52 L C 0.401 177.237 176.870 -0.056 0.000 1.004 52 L CA -0.389 54.444 54.840 -0.012 0.000 0.820 52 L CB 1.838 43.893 42.059 -0.007 0.000 1.247 52 L HN 0.549 8.779 8.230 -0.000 0.000 0.416 53 T N 2.995 117.464 114.554 -0.143 0.000 2.807 53 T HA 0.486 4.832 4.350 -0.006 0.000 0.279 53 T C 0.104 174.654 174.700 -0.251 0.000 0.993 53 T CA -0.775 61.221 62.100 -0.172 0.000 0.970 53 T CB 1.492 70.271 68.868 -0.148 0.000 0.950 53 T HN 0.629 8.869 8.240 -0.000 0.000 0.441 54 N N 1.205 119.752 118.700 -0.255 0.000 2.418 54 N HA 0.163 4.900 4.740 -0.006 0.000 0.283 54 N C 0.553 175.910 175.510 -0.255 0.000 1.267 54 N CA -0.623 52.227 53.050 -0.332 0.000 0.975 54 N CB 0.050 38.366 38.487 -0.285 0.000 1.167 54 N HN 0.399 8.779 8.380 -0.000 0.000 0.581 55 Y N -1.354 118.881 120.300 -0.108 0.000 2.333 55 Y HA 0.125 4.671 4.550 -0.006 0.000 0.290 55 Y C 2.127 177.974 175.900 -0.089 0.000 1.144 55 Y CA 1.177 59.219 58.100 -0.096 0.000 1.228 55 Y CB -0.960 37.458 38.460 -0.070 0.000 0.985 55 Y HN 0.696 8.976 8.280 -0.000 0.000 0.542 56 A N -0.533 122.311 122.820 0.040 0.000 2.276 56 A HA 0.102 4.418 4.320 -0.006 0.000 0.212 56 A C 0.410 177.949 177.584 -0.075 0.000 1.230 56 A CA 0.709 52.740 52.037 -0.010 0.000 0.844 56 A CB -0.914 18.080 19.000 -0.009 0.000 0.860 56 A HN 0.480 8.630 8.150 -0.000 0.000 0.486 57 D N -0.783 119.559 120.400 -0.097 0.000 2.945 57 D HA -0.141 4.495 4.640 -0.006 0.000 0.225 57 D C -0.216 175.963 176.300 -0.202 0.000 1.158 57 D CA 1.378 55.303 54.000 -0.124 0.000 0.805 57 D CB -0.937 39.818 40.800 -0.076 0.000 1.098 57 D HN 0.767 9.137 8.370 -0.000 0.000 0.426 58 E N -0.181 119.819 120.200 -0.334 0.000 2.231 58 E HA 0.554 4.901 4.350 -0.006 0.000 0.277 58 E C -0.299 176.015 176.600 -0.477 0.000 0.999 58 E CA -0.364 55.629 56.400 -0.678 0.000 0.827 58 E CB 1.647 30.668 29.700 -1.132 0.000 1.101 58 E HN -0.032 8.328 8.360 -0.000 0.000 0.393 59 T N 2.878 117.255 114.554 -0.295 0.000 2.861 59 T HA 0.529 4.876 4.350 -0.006 0.000 0.287 59 T C -0.306 174.515 174.700 0.201 0.000 1.003 59 T CA -0.677 61.410 62.100 -0.022 0.000 0.977 59 T CB 0.586 69.473 68.868 0.031 0.000 0.996 59 T HN 0.424 8.664 8.240 -0.000 0.000 0.448 60 I N -0.842 119.826 120.570 0.163 0.000 2.740 60 I HA 0.848 5.015 4.170 -0.006 0.000 0.303 60 I C -0.540 175.690 176.117 0.188 0.000 1.044 60 I CA -0.781 60.642 61.300 0.205 0.000 1.064 60 I CB 2.335 40.424 38.000 0.148 0.000 1.249 60 I HN 0.367 8.576 8.210 -0.000 0.000 0.433 61 S N 3.518 119.342 115.700 0.207 0.000 2.454 61 S HA 0.621 5.088 4.470 -0.006 0.000 0.306 61 S C -0.430 174.372 174.600 0.337 0.000 1.100 61 S CA -0.581 57.776 58.200 0.260 0.000 1.087 61 S CB 1.862 65.302 63.200 0.401 0.000 1.019 61 S HN 0.451 8.761 8.310 -0.000 0.000 0.480 62 V N 2.765 122.828 119.914 0.249 0.000 2.417 62 V HA 0.671 4.787 4.120 -0.006 0.000 0.291 62 V C 0.201 176.426 176.094 0.218 0.000 1.024 62 V CA -0.846 61.618 62.300 0.273 0.000 0.861 62 V CB 1.312 33.235 31.823 0.168 0.000 0.985 62 V HN 0.967 9.157 8.190 -0.000 0.000 0.436 63 A N 7.014 129.958 122.820 0.207 0.000 2.276 63 A HA 0.823 5.139 4.320 -0.006 0.000 0.300 63 A C -0.284 177.396 177.584 0.159 0.000 1.235 63 A CA -0.369 51.684 52.037 0.027 0.000 0.867 63 A CB 0.108 18.948 19.000 -0.265 0.000 1.137 63 A HN 0.966 9.116 8.150 -0.000 0.000 0.527 64 I N -0.316 120.363 120.570 0.181 0.000 2.603 64 I HA 0.529 4.696 4.170 -0.006 0.000 0.300 64 I C -0.673 175.598 176.117 0.256 0.000 1.017 64 I CA -0.931 60.500 61.300 0.218 0.000 1.098 64 I CB 2.045 40.129 38.000 0.140 0.000 1.279 64 I HN 0.461 8.671 8.210 -0.000 0.000 0.437 65 D N 4.618 125.160 120.400 0.237 0.000 2.316 65 D HA 0.105 4.741 4.640 -0.006 0.000 0.245 65 D C 1.107 177.405 176.300 -0.003 0.000 1.171 65 D CA -0.365 53.666 54.000 0.052 0.000 0.856 65 D CB 2.054 42.911 40.800 0.095 0.000 1.090 65 D HN 0.602 8.972 8.370 -0.000 0.000 0.476 66 V N 2.212 122.064 119.914 -0.105 0.000 3.305 66 V HA -0.104 4.012 4.120 -0.006 0.000 0.269 66 V C 1.819 177.894 176.094 -0.032 0.000 1.157 66 V CA 1.830 64.096 62.300 -0.058 0.000 1.157 66 V CB -1.201 30.570 31.823 -0.086 0.000 0.772 66 V HN 0.672 8.862 8.190 -0.000 0.000 0.498 67 T N -0.842 113.681 114.554 -0.051 0.000 3.043 67 T HA 0.016 4.363 4.350 -0.006 0.000 0.263 67 T C 1.219 175.965 174.700 0.077 0.000 1.094 67 T CA 1.132 63.221 62.100 -0.019 0.000 1.127 67 T CB -0.448 68.380 68.868 -0.068 0.000 0.905 67 T HN 0.712 8.952 8.240 -0.000 0.000 0.490 68 N N -0.176 118.604 118.700 0.133 0.000 2.116 68 N HA 0.149 4.886 4.740 -0.006 0.000 0.230 68 N C 0.485 176.239 175.510 0.406 0.000 1.326 68 N CA 0.262 53.510 53.050 0.330 0.000 0.867 68 N CB 0.159 38.773 38.487 0.212 0.000 1.174 68 N HN 0.290 8.670 8.380 -0.000 0.000 0.506 69 V N -1.051 118.990 119.914 0.212 0.000 3.525 69 V HA -0.322 3.795 4.120 -0.006 0.000 0.200 69 V C -0.244 175.956 176.094 0.177 0.000 0.451 69 V CA 1.135 63.496 62.300 0.101 0.000 1.037 69 V CB -3.161 28.607 31.823 -0.091 0.000 1.164 69 V HN 0.448 8.638 8.190 -0.000 0.000 1.195 70 Y N -0.412 119.921 120.300 0.055 0.000 2.335 70 Y HA 0.496 5.042 4.550 -0.006 0.000 0.331 70 Y C 1.018 177.011 175.900 0.155 0.000 1.094 70 Y CA -0.675 57.473 58.100 0.080 0.000 1.253 70 Y CB 0.768 39.286 38.460 0.098 0.000 1.203 70 Y HN 0.232 8.512 8.280 -0.000 0.000 0.508 71 I N 4.881 125.649 120.570 0.330 0.000 2.496 71 I HA -0.093 4.074 4.170 -0.006 0.000 0.285 71 I C 0.666 177.113 176.117 0.549 0.000 1.080 71 I CA 0.131 61.651 61.300 0.367 0.000 1.404 71 I CB 0.940 39.142 38.000 0.337 0.000 1.403 71 I HN 0.764 8.974 8.210 -0.000 0.000 0.539 72 M N 4.254 124.117 119.600 0.439 0.000 2.514 72 M HA 0.312 4.788 4.480 -0.006 0.000 0.258 72 M C 0.682 177.179 176.300 0.328 0.000 1.159 72 M CA 0.208 55.808 55.300 0.501 0.000 1.116 72 M CB 0.010 32.854 32.600 0.407 0.000 1.333 72 M HN 0.752 9.042 8.290 -0.000 0.000 0.487 73 G N -0.185 108.674 108.800 0.098 0.000 2.322 73 G HA2 0.445 4.402 3.960 -0.006 0.000 0.295 73 G HA3 0.445 4.402 3.960 -0.006 0.000 0.295 73 G C -2.235 172.718 174.900 0.087 0.000 1.369 73 G CA -0.698 44.288 45.100 -0.189 0.000 0.821 73 G HN 0.262 8.552 8.290 -0.000 0.000 0.536 74 Y N -1.316 118.884 120.300 -0.167 0.000 2.655 74 Y HA 0.894 5.440 4.550 -0.006 0.000 0.336 74 Y C -0.651 174.933 175.900 -0.527 0.000 1.154 74 Y CA -1.476 56.564 58.100 -0.100 0.000 1.055 74 Y CB 1.706 40.118 38.460 -0.080 0.000 1.295 74 Y HN 0.752 9.032 8.280 -0.000 0.000 0.465 75 R N 2.048 122.145 120.500 -0.672 0.000 2.670 75 R HA 0.913 5.249 4.340 -0.006 0.000 0.289 75 R C -1.933 174.229 176.300 -0.228 0.000 0.965 75 R CA -0.902 54.700 56.100 -0.829 0.000 0.899 75 R CB 1.941 31.399 30.300 -1.403 0.000 1.173 75 R HN 1.139 9.409 8.270 -0.000 0.000 0.456 76 A N 2.867 125.560 122.820 -0.211 0.000 2.385 76 A HA 0.639 4.956 4.320 -0.006 0.000 0.290 76 A C 0.275 177.663 177.584 -0.326 0.000 1.094 76 A CA 0.017 51.940 52.037 -0.191 0.000 0.729 76 A CB 1.127 19.979 19.000 -0.246 0.000 1.194 76 A HN 1.197 9.347 8.150 -0.000 0.000 0.442 77 G N 2.721 111.387 108.800 -0.223 0.000 2.550 77 G HA2 -0.259 3.697 3.960 -0.006 0.000 0.277 77 G HA3 -0.259 3.697 3.960 -0.006 0.000 0.277 77 G C 0.550 175.346 174.900 -0.174 0.000 1.190 77 G CA 1.128 46.116 45.100 -0.186 0.000 0.971 77 G HN 1.636 9.926 8.290 -0.000 0.000 0.559 78 D N 0.650 120.947 120.400 -0.171 0.000 2.340 78 D HA 0.233 4.869 4.640 -0.006 0.000 0.220 78 D C 1.049 177.208 176.300 -0.234 0.000 1.039 78 D CA 1.484 55.388 54.000 -0.161 0.000 0.866 78 D CB -0.046 40.684 40.800 -0.117 0.000 0.913 78 D HN 0.802 9.172 8.370 -0.000 0.000 0.523 79 T N -0.531 113.831 114.554 -0.319 0.000 2.856 79 T HA 0.540 4.886 4.350 -0.006 0.000 0.283 79 T C -0.391 173.893 174.700 -0.693 0.000 1.008 79 T CA -0.582 61.233 62.100 -0.475 0.000 0.997 79 T CB 1.539 70.095 68.868 -0.520 0.000 0.992 79 T HN 0.108 8.348 8.240 -0.000 0.000 0.454 80 S N 3.277 118.534 115.700 -0.738 0.000 2.651 80 S HA 0.745 5.211 4.470 -0.006 0.000 0.291 80 S C -1.494 172.457 174.600 -1.082 0.000 1.141 80 S CA -0.723 56.978 58.200 -0.832 0.000 1.027 80 S CB 0.797 63.740 63.200 -0.428 0.000 1.043 80 S HN 0.739 9.049 8.310 -0.000 0.000 0.530 81 Y N 0.202 119.958 120.300 -0.906 0.000 2.354 81 Y HA 0.599 5.145 4.550 -0.006 0.000 0.330 81 Y C -1.020 174.456 175.900 -0.707 0.000 1.011 81 Y CA -0.849 56.788 58.100 -0.772 0.000 1.099 81 Y CB 1.312 39.098 38.460 -1.123 0.000 1.179 81 Y HN 0.673 8.953 8.280 -0.000 0.000 0.442 82 F N 2.134 121.993 119.950 -0.151 0.000 2.538 82 F HA 0.573 5.096 4.527 -0.006 0.000 0.325 82 F C -0.358 175.426 175.800 -0.026 0.000 1.066 82 F CA -1.139 56.810 58.000 -0.085 0.000 0.946 82 F CB 1.064 40.056 39.000 -0.013 0.000 1.199 82 F HN 0.233 8.533 8.300 -0.000 0.000 0.473 83 F N 0.823 120.978 119.950 0.342 0.000 2.450 83 F HA 0.083 4.606 4.527 -0.006 0.000 0.339 83 F C 0.812 176.729 175.800 0.195 0.000 1.146 83 F CA -0.583 57.578 58.000 0.268 0.000 1.267 83 F CB 0.320 39.489 39.000 0.283 0.000 1.178 83 F HN 0.385 8.685 8.300 -0.000 0.000 0.585 84 N N 2.543 121.475 118.700 0.387 0.000 2.555 84 N HA 0.356 5.092 4.740 -0.006 0.000 0.244 84 N C -1.224 174.395 175.510 0.183 0.000 1.114 84 N CA -0.416 52.761 53.050 0.210 0.000 0.963 84 N CB -0.026 38.543 38.487 0.137 0.000 1.276 84 N HN 0.557 8.937 8.380 -0.000 0.000 0.510 85 R N 0.854 121.454 120.500 0.166 0.000 2.663 85 R HA 0.474 4.810 4.340 -0.006 0.000 0.267 85 R C 0.072 176.425 176.300 0.089 0.000 1.038 85 R CA -0.892 55.279 56.100 0.120 0.000 0.886 85 R CB 0.427 30.806 30.300 0.132 0.000 1.249 85 R HN 0.092 8.362 8.270 -0.000 0.000 0.463 86 A N 1.225 124.079 122.820 0.057 0.000 1.917 86 A HA -0.231 4.086 4.320 -0.006 0.000 0.219 86 A C 1.996 179.607 177.584 0.045 0.000 1.182 86 A CA 2.292 54.351 52.037 0.037 0.000 0.633 86 A CB -1.015 18.000 19.000 0.025 0.000 0.819 86 A HN 0.884 9.034 8.150 -0.000 0.000 0.448 87 S N -0.073 115.665 115.700 0.063 0.000 2.419 87 S HA 0.062 4.529 4.470 -0.006 0.000 0.233 87 S C 1.922 176.595 174.600 0.123 0.000 1.016 87 S CA 1.281 59.532 58.200 0.086 0.000 0.974 87 S CB -0.518 62.720 63.200 0.064 0.000 0.786 87 S HN 0.913 9.223 8.310 -0.000 0.000 0.492 88 A N 1.812 124.713 122.820 0.135 0.000 2.021 88 A HA 0.076 4.393 4.320 -0.006 0.000 0.216 88 A C 2.452 179.986 177.584 -0.084 0.000 1.163 88 A CA 1.563 53.688 52.037 0.147 0.000 0.676 88 A CB -1.272 17.912 19.000 0.307 0.000 0.818 88 A HN 0.712 8.862 8.150 -0.000 0.000 0.453 89 T N -1.792 112.716 114.554 -0.078 0.000 2.985 89 T HA -0.108 4.238 4.350 -0.006 0.000 0.266 89 T C 1.672 176.275 174.700 -0.162 0.000 1.076 89 T CA 1.663 63.652 62.100 -0.186 0.000 1.135 89 T CB -0.149 68.653 68.868 -0.110 0.000 0.890 89 T HN 0.412 8.652 8.240 -0.000 0.000 0.480 90 E N 2.094 122.269 120.200 -0.042 0.000 2.051 90 E HA 0.060 4.406 4.350 -0.006 0.000 0.192 90 E C 2.377 179.005 176.600 0.047 0.000 0.991 90 E CA 1.580 58.009 56.400 0.049 0.000 0.799 90 E CB -1.002 28.779 29.700 0.135 0.000 0.748 90 E HN 0.586 8.946 8.360 -0.000 0.000 0.449 91 A N 0.951 123.740 122.820 -0.051 0.000 1.940 91 A HA -0.121 4.195 4.320 -0.006 0.000 0.219 91 A C 2.442 179.811 177.584 -0.359 0.000 1.176 91 A CA 2.198 54.004 52.037 -0.385 0.000 0.631 91 A CB -1.137 17.676 19.000 -0.311 0.000 0.814 91 A HN 0.429 8.579 8.150 -0.000 0.000 0.446 92 A N -0.424 122.049 122.820 -0.578 0.000 2.125 92 A HA -0.118 4.198 4.320 -0.006 0.000 0.219 92 A C 1.947 179.317 177.584 -0.358 0.000 1.156 92 A CA 1.657 53.246 52.037 -0.747 0.000 0.671 92 A CB -0.389 17.856 19.000 -1.257 0.000 0.794 92 A HN 0.605 8.755 8.150 -0.000 0.000 0.459 93 K N -1.896 118.309 120.400 -0.325 0.000 2.366 93 K HA -0.028 4.289 4.320 -0.006 0.000 0.198 93 K C 0.972 177.200 176.600 -0.619 0.000 1.044 93 K CA 1.229 57.242 56.287 -0.456 0.000 0.973 93 K CB -0.109 32.050 32.500 -0.568 0.000 0.767 93 K HN 0.707 8.957 8.250 -0.000 0.000 0.475 94 Y N -0.432 119.783 120.300 -0.143 0.000 2.581 94 Y HA 0.080 4.627 4.550 -0.005 0.000 0.271 94 Y C 0.882 176.709 175.900 -0.123 0.000 1.100 94 Y CA -0.689 57.353 58.100 -0.096 0.000 1.281 94 Y CB 0.586 39.035 38.460 -0.018 0.000 1.237 94 Y HN -0.201 8.079 8.280 -0.000 0.000 0.514 95 V N -3.704 116.158 119.914 -0.086 0.000 2.881 95 V HA 0.408 4.524 4.120 -0.006 0.000 0.316 95 V C 0.187 176.290 176.094 0.016 0.000 1.070 95 V CA -1.482 60.698 62.300 -0.199 0.000 0.976 95 V CB 1.192 32.639 31.823 -0.627 0.000 1.038 95 V HN 0.469 8.659 8.190 -0.000 0.000 0.446 96 F N -0.541 119.460 119.950 0.084 0.000 3.093 96 F HA -0.242 4.282 4.527 -0.005 0.000 0.287 96 F C 1.581 177.409 175.800 0.047 0.000 0.882 96 F CA 0.863 58.894 58.000 0.051 0.000 1.063 96 F CB -1.127 37.886 39.000 0.022 0.000 1.097 96 F HN 0.704 9.004 8.300 -0.000 0.000 0.604 97 K N 0.735 121.248 120.400 0.189 0.000 2.209 97 K HA -0.182 4.134 4.320 -0.006 0.000 0.204 97 K C 1.433 178.067 176.600 0.057 0.000 1.048 97 K CA 1.599 57.937 56.287 0.086 0.000 0.940 97 K CB -0.165 32.355 32.500 0.033 0.000 0.729 97 K HN 0.495 8.745 8.250 -0.000 0.000 0.451 98 D N 0.258 120.699 120.400 0.067 0.000 2.525 98 D HA 0.076 4.712 4.640 -0.006 0.000 0.229 98 D C -0.126 176.177 176.300 0.004 0.000 1.202 98 D CA -0.326 53.690 54.000 0.027 0.000 0.828 98 D CB -0.040 40.775 40.800 0.026 0.000 1.008 98 D HN -0.019 8.351 8.370 -0.000 0.000 0.493 99 A N 0.423 123.245 122.820 0.003 0.000 2.466 99 A HA 0.268 4.585 4.320 -0.006 0.000 0.238 99 A C 1.438 178.980 177.584 -0.070 0.000 1.074 99 A CA -0.202 51.796 52.037 -0.065 0.000 0.774 99 A CB 0.406 19.344 19.000 -0.103 0.000 1.015 99 A HN 0.268 8.418 8.150 -0.000 0.000 0.498 100 M N 0.257 119.798 119.600 -0.097 0.000 2.248 100 M HA 0.009 4.486 4.480 -0.006 0.000 0.265 100 M C 0.425 176.662 176.300 -0.105 0.000 1.079 100 M CA 1.288 56.537 55.300 -0.086 0.000 1.150 100 M CB -0.151 32.400 32.600 -0.083 0.000 1.366 100 M HN 0.764 9.054 8.290 -0.000 0.000 0.433 101 R N 0.548 120.955 120.500 -0.154 0.000 2.670 101 R HA 0.521 4.857 4.340 -0.006 0.000 0.289 101 R C -0.729 175.427 176.300 -0.240 0.000 0.965 101 R CA -0.701 55.293 56.100 -0.177 0.000 0.899 101 R CB 1.807 31.990 30.300 -0.194 0.000 1.173 101 R HN -0.111 8.159 8.270 -0.000 0.000 0.456 102 K N 2.067 122.348 120.400 -0.199 0.000 2.413 102 K HA 0.436 4.752 4.320 -0.006 0.000 0.257 102 K C -1.305 175.164 176.600 -0.217 0.000 0.946 102 K CA -0.790 55.383 56.287 -0.189 0.000 0.823 102 K CB 2.064 34.539 32.500 -0.041 0.000 1.109 102 K HN 0.469 8.719 8.250 -0.000 0.000 0.427 103 V N 3.105 122.805 119.914 -0.356 0.000 2.513 103 V HA 0.526 4.643 4.120 -0.006 0.000 0.299 103 V C -1.004 175.006 176.094 -0.140 0.000 1.035 103 V CA -0.101 62.032 62.300 -0.279 0.000 0.889 103 V CB 1.863 33.439 31.823 -0.410 0.000 0.988 103 V HN 0.844 9.034 8.190 -0.000 0.000 0.440 104 T N 8.400 122.920 114.554 -0.057 0.000 2.753 104 T HA 0.493 4.839 4.350 -0.006 0.000 0.297 104 T C 0.078 174.769 174.700 -0.016 0.000 0.981 104 T CA -0.163 61.944 62.100 0.012 0.000 0.956 104 T CB 0.384 69.263 68.868 0.018 0.000 0.936 104 T HN 0.654 8.894 8.240 -0.000 0.000 0.463 105 L N 5.521 126.735 121.223 -0.014 0.000 2.492 105 L HA 0.163 4.500 4.340 -0.006 0.000 0.280 105 L C -0.878 175.860 176.870 -0.220 0.000 1.240 105 L CA -1.341 53.421 54.840 -0.130 0.000 0.831 105 L CB 0.192 42.207 42.059 -0.072 0.000 1.100 105 L HN 0.418 8.648 8.230 -0.000 0.000 0.505 106 P HA 0.017 4.437 4.420 -0.000 0.000 0.255 106 P C -1.267 175.926 177.300 -0.178 0.000 1.357 106 P CA 0.482 63.420 63.100 -0.270 0.000 0.839 106 P CB -0.101 31.496 31.700 -0.171 0.000 1.356 107 Y N -2.777 117.653 120.300 0.216 0.000 2.597 107 Y HA 0.544 5.090 4.550 -0.006 0.000 0.340 107 Y C 0.210 176.214 175.900 0.174 0.000 1.097 107 Y CA -2.499 55.702 58.100 0.169 0.000 1.037 107 Y CB -0.039 38.508 38.460 0.145 0.000 1.305 107 Y HN -0.195 8.085 8.280 -0.000 0.000 0.463 108 S N -0.444 115.415 115.700 0.265 0.000 2.600 108 S HA 0.445 4.912 4.470 -0.006 0.000 0.265 108 S C 0.876 175.328 174.600 -0.247 0.000 1.325 108 S CA -0.134 58.114 58.200 0.080 0.000 1.002 108 S CB 0.926 64.151 63.200 0.042 0.000 0.921 108 S HN 1.420 9.730 8.310 -0.000 0.000 0.554 109 G N 1.023 109.320 108.800 -0.838 0.000 3.424 109 G HA2 0.136 4.092 3.960 -0.006 0.000 0.263 109 G HA3 0.136 4.092 3.960 -0.006 0.000 0.263 109 G C 0.303 174.798 174.900 -0.674 0.000 1.310 109 G CA -0.639 43.539 45.100 -1.537 0.000 1.089 109 G HN 0.872 9.162 8.290 -0.000 0.000 0.534 110 N N -0.944 117.545 118.700 -0.352 0.000 2.513 110 N HA 0.108 4.844 4.740 -0.006 0.000 0.274 110 N C 0.667 176.067 175.510 -0.183 0.000 1.189 110 N CA -0.888 52.001 53.050 -0.269 0.000 0.975 110 N CB 0.751 39.181 38.487 -0.096 0.000 1.157 110 N HN 0.014 8.394 8.380 -0.000 0.000 0.465 111 Y N 0.065 120.300 120.300 -0.110 0.000 2.207 111 Y HA -0.100 4.446 4.550 -0.006 0.000 0.287 111 Y C 1.970 177.827 175.900 -0.072 0.000 1.156 111 Y CA 1.241 59.285 58.100 -0.095 0.000 1.182 111 Y CB -0.253 38.165 38.460 -0.071 0.000 0.979 111 Y HN 0.574 8.854 8.280 -0.000 0.000 0.521 112 E N -0.284 119.988 120.200 0.121 0.000 2.106 112 E HA -0.146 4.201 4.350 -0.006 0.000 0.192 112 E C 2.250 178.874 176.600 0.039 0.000 0.984 112 E CA 0.719 57.161 56.400 0.069 0.000 0.806 112 E CB -0.090 29.645 29.700 0.058 0.000 0.750 112 E HN 0.290 8.650 8.360 -0.000 0.000 0.458 113 R N 0.554 121.066 120.500 0.021 0.000 2.073 113 R HA 0.061 4.398 4.340 -0.006 0.000 0.229 113 R C 2.576 178.842 176.300 -0.056 0.000 1.120 113 R CA 0.472 56.581 56.100 0.015 0.000 0.967 113 R CB -0.979 29.351 30.300 0.051 0.000 0.862 113 R HN 0.226 8.496 8.270 -0.000 0.000 0.436 114 L N 0.635 121.785 121.223 -0.121 0.000 2.131 114 L HA -0.166 4.170 4.340 -0.006 0.000 0.210 114 L C 2.336 179.162 176.870 -0.073 0.000 1.092 114 L CA 1.304 56.027 54.840 -0.195 0.000 0.759 114 L CB -0.395 41.567 42.059 -0.162 0.000 0.903 114 L HN 0.200 8.430 8.230 -0.000 0.000 0.435 115 Q N -0.787 119.004 119.800 -0.015 0.000 2.167 115 Q HA -0.140 4.196 4.340 -0.006 0.000 0.202 115 Q C 2.204 178.199 176.000 -0.008 0.000 0.970 115 Q CA 1.813 57.606 55.803 -0.017 0.000 0.855 115 Q CB -0.105 28.621 28.738 -0.021 0.000 0.911 115 Q HN 0.443 8.713 8.270 -0.000 0.000 0.438 116 T N 0.665 115.222 114.554 0.006 0.000 2.737 116 T HA -0.114 4.232 4.350 -0.006 0.000 0.265 116 T C 1.918 176.639 174.700 0.034 0.000 1.038 116 T CA 1.151 63.265 62.100 0.023 0.000 1.144 116 T CB -0.288 68.603 68.868 0.039 0.000 0.866 116 T HN 0.382 8.622 8.240 -0.000 0.000 0.434 117 A N 1.434 124.277 122.820 0.038 0.000 1.908 117 A HA 0.109 4.426 4.320 -0.006 0.000 0.218 117 A C 2.521 180.133 177.584 0.047 0.000 1.181 117 A CA 1.877 53.959 52.037 0.075 0.000 0.627 117 A CB -0.950 18.106 19.000 0.093 0.000 0.818 117 A HN 0.511 8.661 8.150 -0.000 0.000 0.445 118 A N -1.895 120.931 122.820 0.009 0.000 2.119 118 A HA 0.385 4.701 4.320 -0.006 0.000 0.216 118 A C 1.917 179.503 177.584 0.002 0.000 1.152 118 A CA 1.303 53.342 52.037 0.004 0.000 0.708 118 A CB -0.984 18.007 19.000 -0.014 0.000 0.805 118 A HN 1.959 10.109 8.150 -0.000 0.000 0.460 119 G N -0.926 107.876 108.800 0.004 0.000 2.198 119 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.260 119 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.260 119 G C 0.006 174.900 174.900 -0.010 0.000 1.025 119 G CA 0.852 45.954 45.100 0.002 0.000 0.769 119 G HN 0.632 8.922 8.290 -0.000 0.000 0.507 120 K N -0.432 119.956 120.400 -0.019 0.000 2.543 120 K HA 0.518 4.834 4.320 -0.006 0.000 0.255 120 K C 0.640 177.213 176.600 -0.046 0.000 0.934 120 K CA -0.924 55.343 56.287 -0.032 0.000 0.810 120 K CB 1.987 34.465 32.500 -0.037 0.000 1.315 120 K HN 0.383 8.633 8.250 -0.000 0.000 0.433 121 I N -1.067 119.470 120.570 -0.055 0.000 2.886 121 I HA 0.278 4.444 4.170 -0.006 0.000 0.299 121 I C 1.025 177.076 176.117 -0.110 0.000 1.044 121 I CA -0.554 60.700 61.300 -0.078 0.000 1.310 121 I CB 0.866 38.825 38.000 -0.069 0.000 1.441 121 I HN 0.570 8.780 8.210 -0.000 0.000 0.578 122 R N 1.145 121.548 120.500 -0.162 0.000 2.127 122 R HA -0.120 4.217 4.340 -0.006 0.000 0.238 122 R C 1.813 178.012 176.300 -0.168 0.000 1.134 122 R CA 1.749 57.727 56.100 -0.204 0.000 0.975 122 R CB -0.281 29.825 30.300 -0.323 0.000 0.865 122 R HN 0.722 8.992 8.270 -0.000 0.000 0.447 123 E N 0.084 120.203 120.200 -0.135 0.000 2.333 123 E HA -0.117 4.230 4.350 -0.006 0.000 0.198 123 E C 0.707 177.244 176.600 -0.105 0.000 1.007 123 E CA 0.618 56.951 56.400 -0.111 0.000 0.845 123 E CB 0.093 29.747 29.700 -0.076 0.000 0.766 123 E HN 0.307 8.667 8.360 -0.000 0.000 0.507 124 N N 0.067 118.708 118.700 -0.098 0.000 2.214 124 N HA 0.141 4.877 4.740 -0.006 0.000 0.214 124 N C -0.353 175.100 175.510 -0.096 0.000 1.132 124 N CA 0.196 53.196 53.050 -0.084 0.000 0.856 124 N CB 0.870 39.321 38.487 -0.060 0.000 1.020 124 N HN 0.086 8.466 8.380 -0.000 0.000 0.509 125 I N 2.209 122.704 120.570 -0.125 0.000 2.330 125 I HA 0.280 4.447 4.170 -0.006 0.000 0.289 125 I C -2.270 173.740 176.117 -0.180 0.000 1.001 125 I CA -2.069 59.155 61.300 -0.126 0.000 1.193 125 I CB 1.691 39.622 38.000 -0.116 0.000 1.345 125 I HN -0.356 7.854 8.210 -0.000 0.000 0.461 126 P HA 0.089 4.509 4.420 -0.000 0.000 0.265 126 P C -0.778 176.373 177.300 -0.248 0.000 1.193 126 P CA -0.060 62.915 63.100 -0.207 0.000 0.765 126 P CB 0.541 32.176 31.700 -0.109 0.000 0.823 127 L N 2.222 123.186 121.223 -0.432 0.000 2.267 127 L HA 0.880 5.216 4.340 -0.006 0.000 0.264 127 L C 0.894 177.715 176.870 -0.082 0.000 1.021 127 L CA -0.290 54.357 54.840 -0.323 0.000 0.861 127 L CB 0.621 42.387 42.059 -0.488 0.000 1.443 127 L HN 0.707 8.937 8.230 -0.000 0.000 0.475 128 G N -0.846 108.015 108.800 0.101 0.000 2.440 128 G HA2 -0.052 3.905 3.960 -0.006 0.000 0.684 128 G HA3 -0.052 3.905 3.960 -0.006 0.000 0.684 128 G C 0.191 175.106 174.900 0.026 0.000 1.309 128 G CA -0.358 44.841 45.100 0.164 0.000 0.931 128 G HN 0.514 8.804 8.290 -0.000 0.000 0.612 129 L N 0.221 121.444 121.223 0.001 0.000 2.083 129 L HA -0.023 4.313 4.340 -0.006 0.000 0.209 129 L C -0.074 176.838 176.870 0.070 0.000 1.083 129 L CA 2.007 56.865 54.840 0.031 0.000 0.752 129 L CB -1.189 40.926 42.059 0.094 0.000 0.899 129 L HN 0.405 8.635 8.230 -0.000 0.000 0.433 130 P HA -0.123 4.297 4.420 -0.000 0.000 0.220 130 P C 1.435 178.767 177.300 0.053 0.000 1.148 130 P CA 1.483 64.672 63.100 0.148 0.000 0.803 130 P CB 0.063 31.851 31.700 0.148 0.000 0.782 131 A N -0.532 122.303 122.820 0.025 0.000 1.929 131 A HA -0.131 4.185 4.320 -0.006 0.000 0.216 131 A C 2.052 179.622 177.584 -0.023 0.000 1.176 131 A CA 1.172 53.204 52.037 -0.008 0.000 0.628 131 A CB -1.570 17.410 19.000 -0.033 0.000 0.816 131 A HN 0.168 8.318 8.150 -0.000 0.000 0.444 132 L N 0.544 121.756 121.223 -0.018 0.000 2.141 132 L HA -0.132 4.205 4.340 -0.006 0.000 0.209 132 L C 1.857 178.678 176.870 -0.080 0.000 1.094 132 L CA 2.752 57.581 54.840 -0.018 0.000 0.763 132 L CB -0.633 41.452 42.059 0.043 0.000 0.908 132 L HN 0.543 8.773 8.230 -0.000 0.000 0.437 133 D N -1.564 118.741 120.400 -0.159 0.000 2.097 133 D HA -0.241 4.396 4.640 -0.006 0.000 0.195 133 D C 2.261 178.468 176.300 -0.154 0.000 0.989 133 D CA 1.434 55.249 54.000 -0.308 0.000 0.827 133 D CB -0.144 40.280 40.800 -0.628 0.000 0.966 133 D HN 0.366 8.736 8.370 -0.000 0.000 0.456 134 S N -1.033 114.625 115.700 -0.070 0.000 2.399 134 S HA -0.103 4.363 4.470 -0.006 0.000 0.231 134 S C 2.062 176.648 174.600 -0.024 0.000 1.022 134 S CA 1.339 59.526 58.200 -0.022 0.000 0.983 134 S CB -0.561 62.639 63.200 -0.000 0.000 0.803 134 S HN 0.414 8.724 8.310 -0.000 0.000 0.480 135 A N 1.154 123.949 122.820 -0.041 0.000 1.929 135 A HA 0.116 4.432 4.320 -0.006 0.000 0.216 135 A C 2.085 179.629 177.584 -0.067 0.000 1.176 135 A CA 1.189 53.198 52.037 -0.046 0.000 0.628 135 A CB -0.646 18.327 19.000 -0.045 0.000 0.816 135 A HN 0.617 8.767 8.150 -0.000 0.000 0.444 136 I N -0.389 120.134 120.570 -0.077 0.000 2.226 136 I HA -0.223 3.944 4.170 -0.006 0.000 0.245 136 I C 2.575 178.677 176.117 -0.026 0.000 1.100 136 I CA 1.730 62.980 61.300 -0.084 0.000 1.374 136 I CB -0.575 37.357 38.000 -0.113 0.000 1.057 136 I HN 0.241 8.451 8.210 -0.000 0.000 0.413 137 T N -0.424 114.129 114.554 -0.002 0.000 2.708 137 T HA -0.227 4.120 4.350 -0.006 0.000 0.266 137 T C 2.023 176.853 174.700 0.218 0.000 1.037 137 T CA 2.180 64.353 62.100 0.122 0.000 1.146 137 T CB -0.527 68.408 68.868 0.111 0.000 0.865 137 T HN 0.534 8.774 8.240 -0.000 0.000 0.435 138 T N 1.291 115.910 114.554 0.109 0.000 2.867 138 T HA 0.037 4.384 4.350 -0.006 0.000 0.268 138 T C 1.961 176.708 174.700 0.078 0.000 1.057 138 T CA 0.776 62.937 62.100 0.101 0.000 1.136 138 T CB -0.528 68.362 68.868 0.037 0.000 0.874 138 T HN 0.328 8.568 8.240 -0.000 0.000 0.466 139 L N -0.997 120.227 121.223 0.001 0.000 2.240 139 L HA 0.218 4.554 4.340 -0.006 0.000 0.211 139 L C 2.335 179.244 176.870 0.065 0.000 1.106 139 L CA 0.817 55.617 54.840 -0.065 0.000 0.793 139 L CB -0.536 41.212 42.059 -0.519 0.000 0.927 139 L HN 0.252 8.482 8.230 -0.000 0.000 0.446 140 F N 0.000 119.879 119.950 -0.118 0.000 2.186 140 F HA -0.177 4.346 4.527 -0.006 0.000 0.299 140 F C 0.839 176.405 175.800 -0.389 0.000 1.090 140 F CA 1.039 58.890 58.000 -0.249 0.000 1.307 140 F CB 0.123 38.884 39.000 -0.399 0.000 1.019 140 F HN -0.039 8.261 8.300 -0.000 0.000 0.489 141 Y N 0.024 120.446 120.300 0.204 0.000 2.793 141 Y HA 0.160 4.707 4.550 -0.005 0.000 0.374 141 Y C -0.457 175.490 175.900 0.079 0.000 1.135 141 Y CA -1.475 56.696 58.100 0.119 0.000 1.451 141 Y CB -1.260 37.282 38.460 0.137 0.000 1.541 141 Y HN -0.020 8.260 8.280 -0.000 0.000 0.546 142 Y N 2.617 122.920 120.300 0.005 0.000 2.969 142 Y HA -0.046 4.501 4.550 -0.006 0.000 0.339 142 Y C 0.019 175.939 175.900 0.032 0.000 1.272 142 Y CA 0.263 58.330 58.100 -0.054 0.000 1.577 142 Y CB 0.312 38.612 38.460 -0.266 0.000 1.234 142 Y HN 0.575 8.855 8.280 -0.000 0.000 0.590 143 N N 4.114 122.323 118.700 -0.818 0.000 2.478 143 N HA 0.410 5.147 4.740 -0.006 0.000 0.291 143 N C -0.172 174.879 175.510 -0.765 0.000 1.090 143 N CA 0.035 52.716 53.050 -0.615 0.000 0.911 143 N CB 1.439 39.791 38.487 -0.225 0.000 1.546 143 N HN 0.704 9.084 8.380 -0.000 0.000 0.500 144 A N 3.308 125.744 122.820 -0.641 0.000 2.084 144 A HA -0.170 4.147 4.320 -0.006 0.000 0.221 144 A C 1.394 178.922 177.584 -0.093 0.000 1.161 144 A CA 1.557 53.434 52.037 -0.267 0.000 0.653 144 A CB -0.748 18.241 19.000 -0.019 0.000 0.802 144 A HN 0.883 9.033 8.150 -0.000 0.000 0.457 145 N N -0.482 118.158 118.700 -0.100 0.000 2.459 145 N HA -0.076 4.661 4.740 -0.006 0.000 0.181 145 N C 1.464 176.957 175.510 -0.029 0.000 1.046 145 N CA 1.102 54.131 53.050 -0.036 0.000 0.904 145 N CB 0.061 38.528 38.487 -0.033 0.000 0.964 145 N HN 0.635 9.015 8.380 -0.000 0.000 0.444 146 S N -1.403 114.259 115.700 -0.064 0.000 2.604 146 S HA 0.356 4.823 4.470 -0.006 0.000 0.235 146 S C 1.649 176.242 174.600 -0.012 0.000 1.043 146 S CA -0.191 57.988 58.200 -0.035 0.000 0.997 146 S CB 0.444 63.618 63.200 -0.044 0.000 0.956 146 S HN 0.195 8.505 8.310 -0.000 0.000 0.535 147 A N 1.924 124.740 122.820 -0.007 0.000 1.969 147 A HA 0.475 4.791 4.320 -0.006 0.000 0.218 147 A C 2.366 180.038 177.584 0.147 0.000 1.169 147 A CA 1.349 53.443 52.037 0.095 0.000 0.635 147 A CB -1.167 17.977 19.000 0.241 0.000 0.810 147 A HN 0.824 8.974 8.150 -0.000 0.000 0.445 148 A N -0.826 122.075 122.820 0.136 0.000 1.898 148 A HA -0.091 4.225 4.320 -0.006 0.000 0.216 148 A C 2.464 180.051 177.584 0.005 0.000 1.181 148 A CA 2.042 54.092 52.037 0.022 0.000 0.620 148 A CB -0.940 18.026 19.000 -0.057 0.000 0.819 148 A HN 0.483 8.633 8.150 -0.000 0.000 0.442 149 S N -0.573 115.132 115.700 0.009 0.000 2.356 149 S HA -0.045 4.421 4.470 -0.006 0.000 0.223 149 S C 2.200 176.800 174.600 0.000 0.000 1.032 149 S CA 1.522 59.719 58.200 -0.005 0.000 1.005 149 S CB -0.445 62.748 63.200 -0.012 0.000 0.867 149 S HN 0.791 9.101 8.310 -0.000 0.000 0.449 150 A N 1.148 123.971 122.820 0.005 0.000 1.933 150 A HA 0.054 4.370 4.320 -0.006 0.000 0.218 150 A C 2.139 179.722 177.584 -0.001 0.000 1.175 150 A CA 1.219 53.250 52.037 -0.010 0.000 0.628 150 A CB -0.713 18.271 19.000 -0.027 0.000 0.814 150 A HN 0.561 8.711 8.150 -0.000 0.000 0.444 151 L N -1.188 120.057 121.223 0.037 0.000 2.083 151 L HA -0.203 4.133 4.340 -0.006 0.000 0.209 151 L C 2.821 179.749 176.870 0.097 0.000 1.083 151 L CA 1.417 56.307 54.840 0.084 0.000 0.752 151 L CB -0.415 41.765 42.059 0.200 0.000 0.899 151 L HN 0.429 8.659 8.230 -0.000 0.000 0.433 152 M N -1.331 118.318 119.600 0.081 0.000 2.254 152 M HA -0.154 4.322 4.480 -0.006 0.000 0.265 152 M C 2.260 178.604 176.300 0.074 0.000 1.066 152 M CA 1.149 56.523 55.300 0.122 0.000 1.123 152 M CB -0.180 32.471 32.600 0.085 0.000 1.388 152 M HN 0.088 8.378 8.290 -0.000 0.000 0.425 153 V N 0.558 120.485 119.914 0.022 0.000 2.358 153 V HA -0.248 3.869 4.120 -0.006 0.000 0.246 153 V C 2.298 178.412 176.094 0.034 0.000 1.047 153 V CA 1.402 63.702 62.300 0.001 0.000 1.035 153 V CB -0.641 31.169 31.823 -0.022 0.000 0.658 153 V HN 0.390 8.580 8.190 -0.000 0.000 0.452 154 L N 0.078 121.322 121.223 0.035 0.000 1.994 154 L HA -0.136 4.200 4.340 -0.006 0.000 0.208 154 L C 2.186 179.106 176.870 0.084 0.000 1.071 154 L CA 1.934 56.803 54.840 0.048 0.000 0.745 154 L CB -0.552 41.511 42.059 0.008 0.000 0.892 154 L HN 0.209 8.439 8.230 -0.000 0.000 0.431 155 I N -0.638 119.987 120.570 0.091 0.000 2.163 155 I HA -0.372 3.795 4.170 -0.006 0.000 0.243 155 I C 2.545 178.712 176.117 0.083 0.000 1.085 155 I CA 1.691 63.038 61.300 0.078 0.000 1.347 155 I CB -0.361 37.675 38.000 0.059 0.000 1.044 155 I HN 0.429 8.639 8.210 -0.000 0.000 0.408 156 Q N -0.155 119.710 119.800 0.109 0.000 2.167 156 Q HA -0.116 4.221 4.340 -0.006 0.000 0.202 156 Q C 2.224 178.285 176.000 0.102 0.000 0.970 156 Q CA 1.555 57.415 55.803 0.095 0.000 0.855 156 Q CB -0.056 28.716 28.738 0.056 0.000 0.911 156 Q HN 0.441 8.711 8.270 -0.000 0.000 0.438 157 S N -0.068 115.705 115.700 0.121 0.000 2.522 157 S HA -0.054 4.413 4.470 -0.006 0.000 0.227 157 S C 1.711 176.464 174.600 0.254 0.000 0.986 157 S CA 1.230 59.553 58.200 0.206 0.000 0.929 157 S CB 0.030 63.340 63.200 0.183 0.000 0.769 157 S HN 0.561 8.871 8.310 -0.000 0.000 0.529 158 T N -1.063 113.582 114.554 0.150 0.000 3.478 158 T HA 0.185 4.532 4.350 -0.006 0.000 0.223 158 T C 1.883 176.561 174.700 -0.037 0.000 0.958 158 T CA 0.488 62.642 62.100 0.090 0.000 1.324 158 T CB -0.721 68.243 68.868 0.161 0.000 1.262 158 T HN 0.112 8.352 8.240 -0.000 0.000 0.379 159 S N 1.978 117.656 115.700 -0.038 0.000 2.365 159 S HA -0.126 4.341 4.470 -0.006 0.000 0.225 159 S C 2.085 176.584 174.600 -0.168 0.000 1.039 159 S CA 1.501 59.625 58.200 -0.127 0.000 1.033 159 S CB -0.522 62.589 63.200 -0.149 0.000 0.887 159 S HN 0.505 8.815 8.310 -0.000 0.000 0.447 160 E N 1.434 121.591 120.200 -0.072 0.000 2.152 160 E HA 0.041 4.387 4.350 -0.006 0.000 0.192 160 E C 2.344 178.967 176.600 0.039 0.000 0.983 160 E CA 0.919 57.310 56.400 -0.015 0.000 0.818 160 E CB -0.486 29.261 29.700 0.078 0.000 0.758 160 E HN 0.510 8.870 8.360 -0.000 0.000 0.467 161 A N 1.717 124.552 122.820 0.026 0.000 1.902 161 A HA -0.056 4.260 4.320 -0.006 0.000 0.217 161 A C 2.435 179.977 177.584 -0.071 0.000 1.181 161 A CA 1.896 53.953 52.037 0.034 0.000 0.623 161 A CB -0.505 18.540 19.000 0.075 0.000 0.818 161 A HN 0.262 8.412 8.150 -0.000 0.000 0.443 162 A N -0.205 122.517 122.820 -0.164 0.000 1.930 162 A HA -0.132 4.184 4.320 -0.006 0.000 0.217 162 A C 2.215 179.679 177.584 -0.200 0.000 1.175 162 A CA 1.482 53.390 52.037 -0.215 0.000 0.627 162 A CB -0.410 18.444 19.000 -0.243 0.000 0.815 162 A HN 0.543 8.693 8.150 -0.000 0.000 0.443 163 R N -2.400 117.929 120.500 -0.284 0.000 2.115 163 R HA -0.016 4.320 4.340 -0.006 0.000 0.230 163 R C -0.580 175.421 176.300 -0.498 0.000 1.111 163 R CA 0.857 56.657 56.100 -0.500 0.000 0.976 163 R CB -0.103 29.615 30.300 -0.971 0.000 0.870 163 R HN 0.574 8.844 8.270 -0.000 0.000 0.445 164 Y N -0.530 119.751 120.300 -0.030 0.000 2.354 164 Y HA 0.248 4.795 4.550 -0.005 0.000 0.330 164 Y C 0.468 176.412 175.900 0.075 0.000 1.011 164 Y CA -1.006 57.132 58.100 0.064 0.000 1.099 164 Y CB 1.754 40.282 38.460 0.113 0.000 1.179 164 Y HN -0.309 7.971 8.280 -0.000 0.000 0.442 165 K N 1.720 122.265 120.400 0.242 0.000 2.152 165 K HA -0.203 4.114 4.320 -0.006 0.000 0.206 165 K C 1.592 178.315 176.600 0.206 0.000 1.048 165 K CA 1.651 58.040 56.287 0.170 0.000 0.933 165 K CB -0.065 32.523 32.500 0.146 0.000 0.721 165 K HN 0.648 8.898 8.250 -0.000 0.000 0.447 166 F N 1.782 121.808 119.950 0.127 0.000 2.146 166 F HA -0.131 4.393 4.527 -0.006 0.000 0.298 166 F C 1.871 177.716 175.800 0.076 0.000 1.096 166 F CA 1.197 59.243 58.000 0.076 0.000 1.275 166 F CB -0.122 38.904 39.000 0.045 0.000 1.008 166 F HN -0.129 8.171 8.300 -0.000 0.000 0.480 167 I N 0.173 120.808 120.570 0.109 0.000 2.252 167 I HA -0.255 3.912 4.170 -0.006 0.000 0.245 167 I C 2.491 178.625 176.117 0.027 0.000 1.102 167 I CA 1.618 62.925 61.300 0.012 0.000 1.385 167 I CB -0.668 37.413 38.000 0.135 0.000 1.064 167 I HN 0.268 8.478 8.210 -0.000 0.000 0.414 168 E N 1.222 121.476 120.200 0.089 0.000 2.033 168 E HA -0.312 4.035 4.350 -0.006 0.000 0.199 168 E C 2.160 178.843 176.600 0.138 0.000 1.011 168 E CA 1.745 58.241 56.400 0.161 0.000 0.815 168 E CB -0.083 29.652 29.700 0.058 0.000 0.755 168 E HN 0.531 8.891 8.360 -0.000 0.000 0.451 169 Q N -0.400 119.402 119.800 0.003 0.000 2.061 169 Q HA -0.211 4.125 4.340 -0.006 0.000 0.204 169 Q C 2.430 178.311 176.000 -0.198 0.000 0.984 169 Q CA 1.491 57.253 55.803 -0.067 0.000 0.846 169 Q CB -0.107 28.584 28.738 -0.078 0.000 0.902 169 Q HN 0.307 8.577 8.270 -0.000 0.000 0.421 170 Q N 0.413 119.995 119.800 -0.364 0.000 2.084 170 Q HA -0.109 4.227 4.340 -0.006 0.000 0.202 170 Q C 2.124 177.854 176.000 -0.451 0.000 0.978 170 Q CA 1.255 56.741 55.803 -0.528 0.000 0.844 170 Q CB -0.222 28.132 28.738 -0.640 0.000 0.898 170 Q HN 0.481 8.751 8.270 -0.000 0.000 0.426 171 I N -0.131 120.364 120.570 -0.125 0.000 2.252 171 I HA -0.162 4.004 4.170 -0.006 0.000 0.245 171 I C 2.192 178.137 176.117 -0.287 0.000 1.102 171 I CA 1.168 62.440 61.300 -0.047 0.000 1.385 171 I CB -0.495 37.493 38.000 -0.019 0.000 1.064 171 I HN 0.204 8.414 8.210 -0.000 0.000 0.414 172 G N 1.567 110.194 108.800 -0.289 0.000 2.484 172 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.218 172 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.218 172 G C 1.588 176.414 174.900 -0.124 0.000 1.130 172 G CA 0.513 45.463 45.100 -0.250 0.000 0.784 172 G HN 0.500 8.790 8.290 -0.000 0.000 0.543 173 K N -0.252 120.056 120.400 -0.153 0.000 2.432 173 K HA 0.165 4.482 4.320 -0.006 0.000 0.196 173 K C 0.634 177.158 176.600 -0.127 0.000 1.038 173 K CA -0.090 56.120 56.287 -0.127 0.000 0.986 173 K CB 0.228 32.633 32.500 -0.158 0.000 0.782 173 K HN -0.070 8.180 8.250 -0.000 0.000 0.485 174 R N 1.788 122.200 120.500 -0.146 0.000 2.565 174 R HA 0.072 4.408 4.340 -0.006 0.000 0.286 174 R C 0.747 177.037 176.300 -0.017 0.000 1.256 174 R CA -0.183 55.874 56.100 -0.070 0.000 1.238 174 R CB 1.124 31.421 30.300 -0.006 0.000 1.153 174 R HN 0.187 8.457 8.270 -0.000 0.000 0.553 175 V N 0.180 120.094 119.914 -0.000 0.000 2.825 175 V HA 0.093 4.210 4.120 -0.006 0.000 0.246 175 V C 0.273 176.401 176.094 0.057 0.000 1.068 175 V CA 1.326 63.651 62.300 0.042 0.000 1.088 175 V CB 0.421 32.276 31.823 0.053 0.000 0.733 175 V HN 0.474 8.664 8.190 -0.000 0.000 0.468 176 D N -0.101 120.316 120.400 0.028 0.000 2.469 176 D HA 0.318 4.954 4.640 -0.006 0.000 0.215 176 D C 0.231 176.546 176.300 0.025 0.000 1.154 176 D CA 0.123 54.134 54.000 0.018 0.000 0.832 176 D CB 0.911 41.706 40.800 -0.009 0.000 1.008 176 D HN 0.504 8.874 8.370 -0.000 0.000 0.506 177 K N -0.188 120.235 120.400 0.038 0.000 2.469 177 K HA 0.500 4.817 4.320 -0.006 0.000 0.268 177 K C -0.476 176.175 176.600 0.086 0.000 1.027 177 K CA -0.623 55.692 56.287 0.047 0.000 0.893 177 K CB 2.416 34.936 32.500 0.033 0.000 1.460 177 K HN -0.088 8.162 8.250 -0.000 0.000 0.449 178 T N -1.422 113.193 114.554 0.101 0.000 2.926 178 T HA 0.790 5.136 4.350 -0.006 0.000 0.289 178 T C -0.672 174.166 174.700 0.229 0.000 1.054 178 T CA -0.874 61.315 62.100 0.150 0.000 1.015 178 T CB 0.881 69.782 68.868 0.055 0.000 1.167 178 T HN 0.561 8.801 8.240 -0.000 0.000 0.526 179 F N -0.739 119.188 119.950 -0.037 0.000 2.668 179 F HA 0.765 5.288 4.527 -0.006 0.000 0.309 179 F C -2.320 173.457 175.800 -0.038 0.000 1.117 179 F CA -1.749 56.229 58.000 -0.037 0.000 0.951 179 F CB 0.922 39.895 39.000 -0.046 0.000 1.323 179 F HN 0.435 8.735 8.300 -0.000 0.000 0.451 180 L N 3.621 124.745 121.223 -0.165 0.000 2.307 180 L HA 0.554 4.890 4.340 -0.006 0.000 0.282 180 L C -2.184 174.539 176.870 -0.244 0.000 1.051 180 L CA -2.825 51.847 54.840 -0.281 0.000 0.804 180 L CB 0.609 42.608 42.059 -0.100 0.000 1.197 180 L HN 0.480 8.710 8.230 -0.000 0.000 0.431 181 P HA 0.158 4.578 4.420 -0.000 0.000 0.276 181 P C -0.426 176.893 177.300 0.031 0.000 1.230 181 P CA -0.350 62.696 63.100 -0.090 0.000 0.776 181 P CB 0.921 32.518 31.700 -0.172 0.000 0.888 182 S N 3.048 118.831 115.700 0.138 0.000 2.634 182 S HA 0.124 4.590 4.470 -0.006 0.000 0.261 182 S C 1.468 176.103 174.600 0.058 0.000 1.271 182 S CA -0.733 57.528 58.200 0.101 0.000 0.985 182 S CB 0.090 63.380 63.200 0.150 0.000 0.968 182 S HN 0.233 8.543 8.310 -0.000 0.000 0.568 183 L N 0.814 122.056 121.223 0.031 0.000 2.191 183 L HA -0.032 4.305 4.340 -0.006 0.000 0.212 183 L C 2.878 179.751 176.870 0.005 0.000 1.103 183 L CA 1.928 56.770 54.840 0.004 0.000 0.769 183 L CB -2.424 39.632 42.059 -0.004 0.000 0.908 183 L HN 0.970 9.200 8.230 -0.000 0.000 0.438 184 A N 0.137 122.974 122.820 0.029 0.000 1.873 184 A HA -0.234 4.083 4.320 -0.006 0.000 0.218 184 A C 2.308 179.912 177.584 0.033 0.000 1.193 184 A CA 1.896 53.932 52.037 -0.003 0.000 0.629 184 A CB -0.594 18.397 19.000 -0.015 0.000 0.826 184 A HN 0.373 8.523 8.150 -0.000 0.000 0.447 185 I N -0.952 119.707 120.570 0.147 0.000 2.226 185 I HA -0.241 3.925 4.170 -0.006 0.000 0.245 185 I C 2.235 178.342 176.117 -0.016 0.000 1.100 185 I CA 1.194 62.557 61.300 0.104 0.000 1.374 185 I CB -0.397 37.683 38.000 0.133 0.000 1.057 185 I HN 0.228 8.438 8.210 -0.000 0.000 0.413 186 I N 0.370 120.922 120.570 -0.030 0.000 2.264 186 I HA -0.288 3.879 4.170 -0.006 0.000 0.248 186 I C 2.772 178.859 176.117 -0.050 0.000 1.111 186 I CA 1.388 62.645 61.300 -0.071 0.000 1.382 186 I CB -0.649 37.304 38.000 -0.078 0.000 1.060 186 I HN 0.114 8.324 8.210 -0.000 0.000 0.418 187 S N -0.165 115.510 115.700 -0.042 0.000 2.368 187 S HA -0.092 4.375 4.470 -0.006 0.000 0.224 187 S C 2.017 176.588 174.600 -0.048 0.000 1.029 187 S CA 0.839 59.020 58.200 -0.032 0.000 0.988 187 S CB -0.215 62.964 63.200 -0.035 0.000 0.838 187 S HN 0.210 8.520 8.310 -0.000 0.000 0.462 188 L N 2.064 123.192 121.223 -0.157 0.000 2.017 188 L HA -0.013 4.323 4.340 -0.006 0.000 0.208 188 L C 2.397 179.182 176.870 -0.143 0.000 1.073 188 L CA 1.796 56.404 54.840 -0.387 0.000 0.745 188 L CB -1.502 40.032 42.059 -0.875 0.000 0.894 188 L HN 0.417 8.647 8.230 -0.000 0.000 0.432 189 E N -0.673 119.497 120.200 -0.049 0.000 2.058 189 E HA -0.236 4.110 4.350 -0.006 0.000 0.194 189 E C 1.888 178.617 176.600 0.215 0.000 0.997 189 E CA 1.290 57.774 56.400 0.140 0.000 0.801 189 E CB -0.116 29.643 29.700 0.099 0.000 0.746 189 E HN 0.473 8.833 8.360 -0.000 0.000 0.450 190 N N 0.110 118.892 118.700 0.138 0.000 2.223 190 N HA -0.063 4.673 4.740 -0.006 0.000 0.185 190 N C 1.390 177.014 175.510 0.190 0.000 1.016 190 N CA 0.933 54.075 53.050 0.154 0.000 0.863 190 N CB -0.013 38.526 38.487 0.086 0.000 0.983 190 N HN -0.043 8.337 8.380 -0.000 0.000 0.429 191 S N -0.722 115.103 115.700 0.209 0.000 2.556 191 S HA 0.038 4.504 4.470 -0.006 0.000 0.216 191 S C 1.181 175.977 174.600 0.326 0.000 0.970 191 S CA -0.621 57.710 58.200 0.219 0.000 0.912 191 S CB 0.132 63.432 63.200 0.166 0.000 0.790 191 S HN 0.442 8.752 8.310 -0.000 0.000 0.504 192 W N 3.651 125.091 121.300 0.233 0.000 2.317 192 W HA -0.294 4.362 4.660 -0.006 0.000 0.318 192 W C 2.457 179.036 176.519 0.100 0.000 1.227 192 W CA 2.078 59.557 57.345 0.223 0.000 1.269 192 W CB -0.777 28.813 29.460 0.216 0.000 1.155 192 W HN 0.388 8.568 8.180 -0.000 0.000 0.484 193 S N 0.200 115.962 115.700 0.104 0.000 2.368 193 S HA -0.174 4.292 4.470 -0.006 0.000 0.225 193 S C 2.044 176.546 174.600 -0.163 0.000 1.030 193 S CA 1.610 59.710 58.200 -0.166 0.000 0.999 193 S CB -1.442 61.748 63.200 -0.015 0.000 0.844 193 S HN 0.348 8.658 8.310 -0.000 0.000 0.459 194 A N 2.151 124.942 122.820 -0.049 0.000 1.877 194 A HA 0.127 4.444 4.320 -0.006 0.000 0.216 194 A C 2.337 179.835 177.584 -0.143 0.000 1.186 194 A CA 1.381 53.374 52.037 -0.073 0.000 0.620 194 A CB -0.920 18.078 19.000 -0.004 0.000 0.822 194 A HN 0.501 8.651 8.150 -0.000 0.000 0.443 195 L N -0.378 120.800 121.223 -0.076 0.000 2.042 195 L HA -0.190 4.147 4.340 -0.006 0.000 0.210 195 L C 2.892 179.606 176.870 -0.259 0.000 1.076 195 L CA 1.558 56.330 54.840 -0.113 0.000 0.749 195 L CB -0.496 41.622 42.059 0.099 0.000 0.893 195 L HN 0.340 8.570 8.230 -0.000 0.000 0.432 196 S N -0.402 115.108 115.700 -0.317 0.000 2.370 196 S HA -0.245 4.221 4.470 -0.006 0.000 0.226 196 S C 1.946 176.360 174.600 -0.311 0.000 1.033 196 S CA 1.571 59.544 58.200 -0.377 0.000 1.011 196 S CB -0.201 62.608 63.200 -0.652 0.000 0.852 196 S HN 0.336 8.646 8.310 -0.000 0.000 0.457 197 K N 0.831 121.052 120.400 -0.299 0.000 2.026 197 K HA -0.139 4.177 4.320 -0.006 0.000 0.208 197 K C 2.119 178.545 176.600 -0.289 0.000 1.048 197 K CA 1.221 57.361 56.287 -0.244 0.000 0.929 197 K CB -0.095 32.289 32.500 -0.193 0.000 0.713 197 K HN 0.160 8.410 8.250 -0.000 0.000 0.439 198 Q N 0.540 120.066 119.800 -0.458 0.000 2.167 198 Q HA -0.083 4.254 4.340 -0.006 0.000 0.202 198 Q C 2.147 177.740 176.000 -0.679 0.000 0.970 198 Q CA 1.137 56.502 55.803 -0.730 0.000 0.855 198 Q CB -0.109 27.713 28.738 -1.526 0.000 0.911 198 Q HN 0.475 8.745 8.270 -0.000 0.000 0.438 199 I N 0.468 120.735 120.570 -0.505 0.000 2.315 199 I HA -0.286 3.880 4.170 -0.006 0.000 0.248 199 I C 2.316 178.450 176.117 0.028 0.000 1.117 199 I CA 1.024 62.237 61.300 -0.145 0.000 1.404 199 I CB -0.149 37.836 38.000 -0.025 0.000 1.071 199 I HN 0.227 8.437 8.210 -0.000 0.000 0.419 200 Q N 0.618 120.380 119.800 -0.063 0.000 2.079 200 Q HA -0.162 4.174 4.340 -0.006 0.000 0.200 200 Q C 2.346 178.336 176.000 -0.016 0.000 0.974 200 Q CA 1.495 57.279 55.803 -0.032 0.000 0.840 200 Q CB -0.055 28.634 28.738 -0.082 0.000 0.898 200 Q HN 0.500 8.770 8.270 -0.000 0.000 0.430 201 I N 0.550 121.084 120.570 -0.060 0.000 2.226 201 I HA -0.301 3.866 4.170 -0.006 0.000 0.245 201 I C 2.357 178.502 176.117 0.047 0.000 1.100 201 I CA 0.985 62.270 61.300 -0.024 0.000 1.374 201 I CB -0.372 37.596 38.000 -0.054 0.000 1.057 201 I HN 0.181 8.391 8.210 -0.000 0.000 0.413 202 A N 0.626 123.500 122.820 0.090 0.000 1.940 202 A HA -0.248 4.068 4.320 -0.006 0.000 0.219 202 A C 2.451 180.181 177.584 0.244 0.000 1.176 202 A CA 2.174 54.328 52.037 0.196 0.000 0.631 202 A CB -0.885 18.274 19.000 0.265 0.000 0.814 202 A HN 0.548 8.698 8.150 -0.000 0.000 0.446 203 S N -0.722 115.134 115.700 0.259 0.000 2.474 203 S HA -0.102 4.364 4.470 -0.006 0.000 0.235 203 S C 1.495 176.137 174.600 0.070 0.000 0.997 203 S CA 1.713 60.011 58.200 0.164 0.000 0.949 203 S CB -0.878 62.311 63.200 -0.018 0.000 0.766 203 S HN 0.867 9.177 8.310 -0.000 0.000 0.517 204 T N -1.944 112.648 114.554 0.064 0.000 3.129 204 T HA 0.335 4.682 4.350 -0.006 0.000 0.267 204 T C 0.371 175.098 174.700 0.045 0.000 1.018 204 T CA -0.136 61.985 62.100 0.034 0.000 0.903 204 T CB -0.315 68.560 68.868 0.013 0.000 1.067 204 T HN 0.361 8.601 8.240 -0.000 0.000 0.549 205 N N 1.583 120.326 118.700 0.072 0.000 2.545 205 N HA 0.151 4.887 4.740 -0.006 0.000 0.283 205 N C -0.508 175.049 175.510 0.078 0.000 1.596 205 N CA -0.327 52.763 53.050 0.066 0.000 0.862 205 N CB -0.395 38.132 38.487 0.068 0.000 1.422 205 N HN 0.215 8.595 8.380 -0.000 0.000 0.489 206 N N 0.775 119.527 118.700 0.086 0.000 2.740 206 N HA -0.175 4.562 4.740 -0.006 0.000 0.248 206 N C 0.793 176.362 175.510 0.097 0.000 1.062 206 N CA 1.352 54.454 53.050 0.087 0.000 0.704 206 N CB -1.447 37.072 38.487 0.053 0.000 0.968 206 N HN 0.725 9.105 8.380 -0.000 0.000 0.547 207 G N -0.868 108.021 108.800 0.148 0.000 2.184 207 G HA2 -0.354 3.602 3.960 -0.006 0.000 0.264 207 G HA3 -0.354 3.602 3.960 -0.006 0.000 0.264 207 G C -0.068 174.867 174.900 0.058 0.000 0.975 207 G CA 0.730 45.877 45.100 0.078 0.000 0.642 207 G HN 0.547 8.837 8.290 -0.000 0.000 0.536 208 Q N -0.322 119.535 119.800 0.094 0.000 2.241 208 Q HA 0.614 4.951 4.340 -0.006 0.000 0.254 208 Q C 0.253 176.412 176.000 0.265 0.000 0.917 208 Q CA -0.644 55.218 55.803 0.098 0.000 0.919 208 Q CB 0.961 29.729 28.738 0.050 0.000 1.237 208 Q HN 0.381 8.651 8.270 -0.000 0.000 0.434 209 F N 0.822 120.758 119.950 -0.023 0.000 2.444 209 F HA -0.019 4.504 4.527 -0.006 0.000 0.331 209 F C 1.720 177.515 175.800 -0.009 0.000 1.167 209 F CA -0.196 57.794 58.000 -0.015 0.000 1.262 209 F CB 0.745 39.733 39.000 -0.019 0.000 1.196 209 F HN 0.743 9.043 8.300 -0.000 0.000 0.583 210 E N 0.468 120.764 120.200 0.160 0.000 2.190 210 E HA -0.004 4.343 4.350 -0.006 0.000 0.191 210 E C -0.282 176.372 176.600 0.090 0.000 0.978 210 E CA 0.492 56.944 56.400 0.087 0.000 0.839 210 E CB 0.444 30.165 29.700 0.033 0.000 0.787 210 E HN 0.462 8.822 8.360 -0.000 0.000 0.473 211 S N 1.967 117.733 115.700 0.110 0.000 2.538 211 S HA 0.412 4.879 4.470 -0.006 0.000 0.288 211 S C -2.647 172.071 174.600 0.196 0.000 1.108 211 S CA -1.285 56.977 58.200 0.104 0.000 0.971 211 S CB 2.046 65.276 63.200 0.050 0.000 1.041 211 S HN 0.143 8.453 8.310 -0.000 0.000 0.483 212 P HA 0.310 4.730 4.420 -0.000 0.000 0.272 212 P C -1.088 176.331 177.300 0.197 0.000 1.240 212 P CA -0.375 62.846 63.100 0.202 0.000 0.791 212 P CB 0.576 32.324 31.700 0.081 0.000 0.978 213 V N 1.854 121.908 119.914 0.233 0.000 2.540 213 V HA 0.234 4.351 4.120 -0.006 0.000 0.302 213 V C 0.254 176.414 176.094 0.111 0.000 1.035 213 V CA -0.898 61.506 62.300 0.173 0.000 0.873 213 V CB 2.052 34.016 31.823 0.233 0.000 0.992 213 V HN 0.397 8.587 8.190 -0.000 0.000 0.428 214 V N 7.216 127.174 119.914 0.073 0.000 2.439 214 V HA 0.618 4.734 4.120 -0.006 0.000 0.282 214 V C -0.504 175.612 176.094 0.038 0.000 1.039 214 V CA 0.011 62.337 62.300 0.043 0.000 0.913 214 V CB 1.136 32.977 31.823 0.029 0.000 0.983 214 V HN 0.739 8.929 8.190 -0.000 0.000 0.460 215 L N 6.160 127.394 121.223 0.019 0.000 2.283 215 L HA 0.643 4.980 4.340 -0.006 0.000 0.259 215 L C -0.719 176.139 176.870 -0.021 0.000 1.027 215 L CA -0.961 53.879 54.840 0.001 0.000 0.828 215 L CB 2.381 44.438 42.059 -0.005 0.000 1.380 215 L HN 0.476 8.706 8.230 -0.000 0.000 0.425 216 I N 1.337 121.884 120.570 -0.038 0.000 2.404 216 I HA 0.218 4.384 4.170 -0.006 0.000 0.293 216 I C -0.239 175.834 176.117 -0.073 0.000 0.992 216 I CA -0.584 60.690 61.300 -0.043 0.000 1.149 216 I CB 1.744 39.726 38.000 -0.031 0.000 1.315 216 I HN 0.675 8.885 8.210 -0.000 0.000 0.446 217 N N 5.297 123.955 118.700 -0.071 0.000 2.385 217 N HA 0.238 4.975 4.740 -0.006 0.000 0.291 217 N C 0.864 176.320 175.510 -0.089 0.000 1.298 217 N CA -0.201 52.790 53.050 -0.099 0.000 0.955 217 N CB 0.209 38.648 38.487 -0.079 0.000 1.096 217 N HN 0.563 8.943 8.380 -0.000 0.000 0.543 218 A N -1.924 120.842 122.820 -0.090 0.000 2.119 218 A HA -0.043 4.274 4.320 -0.006 0.000 0.217 218 A C 1.137 178.711 177.584 -0.016 0.000 1.153 218 A CA 0.953 52.962 52.037 -0.048 0.000 0.692 218 A CB -0.467 18.506 19.000 -0.045 0.000 0.799 218 A HN 0.563 8.713 8.150 -0.000 0.000 0.458 219 Q N -0.642 119.144 119.800 -0.023 0.000 2.188 219 Q HA 0.215 4.551 4.340 -0.006 0.000 0.212 219 Q C -0.158 175.836 176.000 -0.011 0.000 0.846 219 Q CA 0.085 55.881 55.803 -0.012 0.000 0.989 219 Q CB -0.506 28.224 28.738 -0.015 0.000 1.114 219 Q HN 0.754 9.024 8.270 -0.000 0.000 0.488 220 N N -0.223 118.469 118.700 -0.014 0.000 2.741 220 N HA -0.227 4.510 4.740 -0.006 0.000 0.251 220 N C -0.804 174.697 175.510 -0.015 0.000 1.112 220 N CA 0.324 53.367 53.050 -0.011 0.000 0.750 220 N CB -0.607 37.878 38.487 -0.003 0.000 1.119 220 N HN 0.375 8.755 8.380 -0.000 0.000 0.561 221 Q N 0.556 120.343 119.800 -0.021 0.000 2.243 221 Q HA 0.350 4.687 4.340 -0.006 0.000 0.252 221 Q C 0.010 175.996 176.000 -0.024 0.000 0.909 221 Q CA -0.411 55.380 55.803 -0.021 0.000 0.922 221 Q CB 1.230 29.954 28.738 -0.024 0.000 1.215 221 Q HN 0.162 8.432 8.270 -0.000 0.000 0.427 222 R N 1.209 121.699 120.500 -0.018 0.000 2.347 222 R HA 0.305 4.642 4.340 -0.006 0.000 0.304 222 R C -0.910 175.379 176.300 -0.019 0.000 1.072 222 R CA -0.062 56.028 56.100 -0.015 0.000 0.980 222 R CB 0.673 30.968 30.300 -0.008 0.000 0.986 222 R HN 0.322 8.592 8.270 -0.000 0.000 0.448 223 V N 2.706 122.607 119.914 -0.022 0.000 2.715 223 V HA 0.337 4.454 4.120 -0.006 0.000 0.310 223 V C -0.202 175.880 176.094 -0.019 0.000 1.054 223 V CA -0.645 61.639 62.300 -0.027 0.000 0.928 223 V CB 2.526 34.326 31.823 -0.039 0.000 1.007 223 V HN 0.748 8.938 8.190 -0.000 0.000 0.437 224 T N 5.833 120.371 114.554 -0.026 0.000 2.749 224 T HA 0.524 4.870 4.350 -0.006 0.000 0.287 224 T C -0.337 174.332 174.700 -0.051 0.000 0.970 224 T CA -0.203 61.885 62.100 -0.020 0.000 0.980 224 T CB 0.391 69.248 68.868 -0.019 0.000 0.924 224 T HN 0.251 8.491 8.240 -0.000 0.000 0.456 225 I N 4.317 124.865 120.570 -0.036 0.000 2.336 225 I HA 0.305 4.472 4.170 -0.006 0.000 0.292 225 I C 1.453 177.380 176.117 -0.316 0.000 0.991 225 I CA -0.425 60.791 61.300 -0.139 0.000 1.227 225 I CB 1.164 39.159 38.000 -0.009 0.000 1.366 225 I HN 0.790 9.000 8.210 -0.000 0.000 0.466 226 T N 1.300 115.503 114.554 -0.586 0.000 3.058 226 T HA 0.236 4.582 4.350 -0.006 0.000 0.278 226 T C 0.129 174.188 174.700 -1.069 0.000 0.974 226 T CA -0.301 61.399 62.100 -0.667 0.000 0.893 226 T CB -0.056 68.647 68.868 -0.274 0.000 1.138 226 T HN 0.645 8.885 8.240 -0.000 0.000 0.529 227 N N -0.300 117.656 118.700 -1.240 0.000 3.020 227 N HA 0.345 5.082 4.740 -0.006 0.000 0.248 227 N C 0.524 175.717 175.510 -0.529 0.000 1.480 227 N CA -0.401 52.179 53.050 -0.783 0.000 0.874 227 N CB 1.176 39.459 38.487 -0.341 0.000 1.433 227 N HN 0.098 8.478 8.380 -0.000 0.000 0.530 228 V N -3.696 116.056 119.914 -0.271 0.000 3.510 228 V HA 0.184 4.300 4.120 -0.006 0.000 0.270 228 V C 0.260 176.217 176.094 -0.229 0.000 1.201 228 V CA 1.221 63.354 62.300 -0.279 0.000 1.166 228 V CB -0.680 30.724 31.823 -0.698 0.000 0.825 228 V HN 0.594 8.784 8.190 -0.000 0.000 0.484 229 D N 1.590 121.874 120.400 -0.192 0.000 2.349 229 D HA 0.288 4.925 4.640 -0.006 0.000 0.224 229 D C 1.202 177.437 176.300 -0.108 0.000 1.029 229 D CA 0.891 54.816 54.000 -0.125 0.000 0.879 229 D CB 0.187 40.928 40.800 -0.099 0.000 0.906 229 D HN 0.674 9.044 8.370 -0.000 0.000 0.528 230 A N 0.082 122.818 122.820 -0.140 0.000 2.462 230 A HA 0.421 4.738 4.320 -0.006 0.000 0.243 230 A C 1.814 179.367 177.584 -0.052 0.000 1.076 230 A CA 0.322 52.293 52.037 -0.110 0.000 0.773 230 A CB 0.447 19.357 19.000 -0.150 0.000 1.010 230 A HN 0.198 8.348 8.150 -0.000 0.000 0.493 231 G N 0.881 109.657 108.800 -0.040 0.000 2.469 231 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.220 231 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.220 231 G C 1.385 176.294 174.900 0.015 0.000 1.136 231 G CA 1.247 46.337 45.100 -0.016 0.000 0.759 231 G HN 1.006 9.296 8.290 -0.000 0.000 0.562 232 V N 0.359 120.286 119.914 0.022 0.000 2.469 232 V HA -0.157 3.960 4.120 -0.006 0.000 0.251 232 V C 2.877 179.050 176.094 0.131 0.000 1.064 232 V CA 2.115 64.467 62.300 0.087 0.000 1.066 232 V CB -0.106 31.778 31.823 0.103 0.000 0.667 232 V HN 0.223 8.413 8.190 -0.000 0.000 0.461 233 V N 0.455 120.426 119.914 0.095 0.000 2.535 233 V HA -0.122 3.995 4.120 -0.006 0.000 0.246 233 V C 2.683 178.816 176.094 0.066 0.000 1.045 233 V CA 2.048 64.404 62.300 0.094 0.000 1.058 233 V CB -0.806 31.050 31.823 0.056 0.000 0.689 233 V HN 0.788 8.978 8.190 -0.000 0.000 0.461 234 T N -1.440 113.136 114.554 0.036 0.000 2.985 234 T HA -0.068 4.279 4.350 -0.006 0.000 0.266 234 T C 1.448 176.182 174.700 0.056 0.000 1.076 234 T CA 1.336 63.458 62.100 0.037 0.000 1.135 234 T CB -0.106 68.769 68.868 0.012 0.000 0.890 234 T HN 0.585 8.825 8.240 -0.000 0.000 0.480 235 S N -0.724 115.015 115.700 0.064 0.000 3.009 235 S HA 0.371 4.837 4.470 -0.006 0.000 0.254 235 S C 0.732 175.396 174.600 0.107 0.000 1.004 235 S CA -0.475 57.769 58.200 0.073 0.000 1.119 235 S CB 0.113 63.346 63.200 0.055 0.000 1.075 235 S HN 0.342 8.652 8.310 -0.000 0.000 0.618 236 N N 1.587 120.370 118.700 0.139 0.000 3.225 236 N HA 0.326 5.063 4.740 -0.006 0.000 0.250 236 N C -0.039 175.623 175.510 0.253 0.000 0.980 236 N CA -0.151 53.028 53.050 0.216 0.000 1.117 236 N CB -0.130 38.493 38.487 0.227 0.000 1.488 236 N HN 0.424 8.804 8.380 -0.000 0.000 0.833 237 I N 1.612 122.341 120.570 0.265 0.000 2.752 237 I HA 0.073 4.240 4.170 -0.006 0.000 0.289 237 I C 0.627 176.770 176.117 0.042 0.000 1.197 237 I CA 0.407 61.764 61.300 0.095 0.000 1.432 237 I CB 0.834 38.902 38.000 0.113 0.000 1.359 237 I HN 0.425 8.635 8.210 -0.000 0.000 0.571 238 A N 7.987 130.785 122.820 -0.036 0.000 2.419 238 A HA 0.486 4.803 4.320 -0.006 0.000 0.233 238 A C 0.051 177.642 177.584 0.012 0.000 1.217 238 A CA -0.064 51.972 52.037 -0.002 0.000 0.944 238 A CB 0.240 19.228 19.000 -0.020 0.000 1.025 238 A HN 0.583 8.733 8.150 -0.000 0.000 0.524 239 L N 0.035 121.292 121.223 0.057 0.000 2.472 239 L HA 0.515 4.852 4.340 -0.006 0.000 0.260 239 L C -1.369 175.664 176.870 0.271 0.000 0.963 239 L CA -0.523 54.409 54.840 0.153 0.000 0.829 239 L CB 2.313 44.473 42.059 0.167 0.000 1.348 239 L HN 0.047 8.277 8.230 -0.000 0.000 0.408 240 L N 3.162 124.459 121.223 0.123 0.000 2.313 240 L HA 0.455 4.791 4.340 -0.006 0.000 0.283 240 L C -0.557 176.189 176.870 -0.207 0.000 1.013 240 L CA -0.756 54.032 54.840 -0.087 0.000 0.816 240 L CB 1.986 43.992 42.059 -0.088 0.000 1.236 240 L HN 0.374 8.604 8.230 -0.000 0.000 0.419 241 L N 4.395 125.206 121.223 -0.686 0.000 2.410 241 L HA 0.182 4.519 4.340 -0.006 0.000 0.273 241 L C 0.515 177.191 176.870 -0.324 0.000 1.144 241 L CA 0.472 54.953 54.840 -0.598 0.000 0.863 241 L CB 0.346 41.784 42.059 -1.035 0.000 1.140 241 L HN 0.543 8.773 8.230 -0.000 0.000 0.463 242 N N 3.811 122.405 118.700 -0.177 0.000 2.458 242 N HA -0.044 4.692 4.740 -0.006 0.000 0.258 242 N C 1.088 176.512 175.510 -0.142 0.000 1.219 242 N CA 0.322 53.291 53.050 -0.134 0.000 0.902 242 N CB 0.811 39.244 38.487 -0.089 0.000 1.076 242 N HN 0.775 9.155 8.380 -0.000 0.000 0.455 243 R N 2.752 123.174 120.500 -0.129 0.000 2.152 243 R HA -0.044 4.292 4.340 -0.006 0.000 0.232 243 R C 0.149 176.395 176.300 -0.090 0.000 1.117 243 R CA 1.160 57.190 56.100 -0.117 0.000 0.981 243 R CB -0.138 30.101 30.300 -0.101 0.000 0.870 243 R HN 0.436 8.706 8.270 -0.000 0.000 0.451 244 N N 0.732 119.385 118.700 -0.079 0.000 2.322 244 N HA -0.019 4.718 4.740 -0.006 0.000 0.216 244 N C -0.389 175.082 175.510 -0.065 0.000 1.144 244 N CA 0.224 53.235 53.050 -0.065 0.000 0.830 244 N CB 0.535 38.988 38.487 -0.055 0.000 1.034 244 N HN 0.260 8.640 8.380 -0.000 0.000 0.484 245 N N 0.820 119.474 118.700 -0.076 0.000 2.517 245 N HA 0.209 4.946 4.740 -0.006 0.000 0.285 245 N C -1.027 174.439 175.510 -0.074 0.000 1.528 245 N CA -0.116 52.889 53.050 -0.074 0.000 0.892 245 N CB 0.252 38.696 38.487 -0.072 0.000 1.356 245 N HN 0.103 8.483 8.380 -0.000 0.000 0.495 246 M N -2.224 117.336 119.600 -0.066 0.000 2.956 246 M HA 0.787 5.263 4.480 -0.006 0.000 0.272 246 M C -1.744 174.528 176.300 -0.048 0.000 1.132 246 M CA -1.062 54.207 55.300 -0.051 0.000 0.805 246 M CB 1.369 33.932 32.600 -0.061 0.000 1.639 246 M HN -0.103 8.187 8.290 -0.000 0.000 0.520 247 A N 0.000 122.799 122.820 -0.035 0.000 2.254 247 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 247 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 247 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 247 A HN 0.000 8.150 8.150 -0.000 0.000 0.486