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 1qm9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGNSVLLVSN LNPERVTPQS LFILFGVYGD VQRVKILFNK KENALVQMAD DATA SEQUENCE GNQAQLAMSH LNGHKLHGKP IRITLSKHQN VQLPREGQED QGLTKDYGNS DATA SEQUENCE PLHRFKKPGS KNFQNIFPPS ATLHLSNIPP SVSEEDLKVL FSSNGGVVKG DATA SEQUENCE FKFFQKDRKM ALIQMGSVEE AVQALIDLHN HDLGENHHLR VSFSKSTI 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 M HA 0.000 4.464 4.480 -0.027 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 G N 0.239 109.020 108.800 -0.032 0.000 3.107 2 G HA2 0.417 4.361 3.960 -0.027 0.000 0.233 2 G HA3 0.417 4.348 3.960 -0.049 0.000 0.233 2 G C -2.103 172.766 174.900 -0.052 0.000 1.168 2 G CA -0.490 44.587 45.100 -0.040 0.000 0.801 2 G HN 0.110 8.382 8.290 -0.029 0.000 0.605 3 N N 1.009 119.676 118.700 -0.054 0.000 2.514 3 N HA 0.077 4.771 4.740 -0.076 0.000 0.277 3 N C -0.815 174.678 175.510 -0.028 0.000 1.126 3 N CA 0.681 53.697 53.050 -0.057 0.000 0.978 3 N CB 0.770 39.221 38.487 -0.060 0.000 1.106 3 N HN 0.266 8.621 8.380 -0.042 0.000 0.461 4 S N 2.301 117.980 115.700 -0.035 0.000 2.730 4 S HA 0.101 4.562 4.470 -0.015 0.000 0.150 4 S C -2.348 172.227 174.600 -0.041 0.000 1.139 4 S CA -0.085 58.098 58.200 -0.028 0.000 1.155 4 S CB 0.263 63.445 63.200 -0.030 0.000 1.682 4 S HN 0.292 8.574 8.310 -0.047 0.000 0.452 5 V N 2.634 122.523 119.914 -0.042 0.000 2.540 5 V HA 0.263 4.370 4.120 -0.078 -0.034 0.302 5 V C -1.872 174.180 176.094 -0.070 0.000 1.035 5 V CA -1.677 60.583 62.300 -0.067 0.000 0.873 5 V CB 3.233 35.012 31.823 -0.072 0.000 0.992 5 V HN -0.632 7.540 8.190 -0.030 0.000 0.428 6 L N 7.114 128.273 121.223 -0.107 0.000 2.278 6 L HA 0.236 4.680 4.340 -0.036 -0.126 0.287 6 L C -0.688 176.074 176.870 -0.182 0.000 1.072 6 L CA -0.352 54.426 54.840 -0.104 0.000 0.819 6 L CB 0.570 42.577 42.059 -0.086 0.000 1.176 6 L HN -0.065 8.088 8.230 -0.128 0.000 0.435 7 L N 6.698 127.868 121.223 -0.089 0.000 2.305 7 L HA 0.190 4.586 4.340 -0.128 -0.133 0.281 7 L C -0.860 175.986 176.870 -0.039 0.000 1.085 7 L CA 0.007 54.797 54.840 -0.083 0.000 0.813 7 L CB 1.016 43.056 42.059 -0.031 0.000 1.157 7 L HN 0.632 8.838 8.230 -0.039 0.000 0.436 8 V N 4.855 124.743 119.914 -0.043 0.000 2.427 8 V HA 0.125 4.339 4.120 0.156 0.000 0.286 8 V C -0.543 175.582 176.094 0.052 0.000 1.034 8 V CA -0.644 61.707 62.300 0.085 0.000 0.893 8 V CB 0.940 32.870 31.823 0.178 0.000 0.982 8 V HN -0.322 7.811 8.190 -0.095 0.000 0.452 9 S N 6.320 122.055 115.700 0.057 0.000 2.422 9 S HA 0.360 4.929 4.470 -0.005 -0.101 0.298 9 S C -0.989 173.616 174.600 0.007 0.000 1.118 9 S CA -0.269 57.940 58.200 0.015 0.000 1.083 9 S CB 0.529 63.736 63.200 0.012 0.000 0.971 9 S HN 0.743 9.002 8.310 0.088 0.104 0.478 10 N N 3.537 122.230 118.700 -0.013 0.000 2.629 10 N HA -0.161 4.557 4.740 -0.037 0.000 0.378 10 N C -1.254 174.233 175.510 -0.038 0.000 0.561 10 N CA 1.002 54.038 53.050 -0.025 0.000 1.801 10 N CB 1.107 39.592 38.487 -0.004 0.000 1.139 10 N HN 0.187 8.502 8.380 -0.021 0.053 1.927 11 L N 2.481 123.689 121.223 -0.024 0.000 4.812 11 L HA -0.257 4.214 4.340 -0.025 -0.145 0.466 11 L C 0.100 176.936 176.870 -0.057 0.000 1.205 11 L CA 1.268 56.088 54.840 -0.032 0.000 0.681 11 L CB -2.925 39.118 42.059 -0.027 0.000 1.179 11 L HN 0.339 8.566 8.230 -0.005 0.000 0.647 12 N N 1.434 120.092 118.700 -0.069 0.000 2.418 12 N HA 0.094 4.777 4.740 -0.096 0.000 0.199 12 N C -1.522 173.924 175.510 -0.107 0.000 1.044 12 N CA 2.534 55.527 53.050 -0.094 0.000 0.943 12 N CB -0.294 38.131 38.487 -0.104 0.000 1.154 12 N HN 0.181 8.524 8.380 -0.062 0.000 0.467 13 P HA 0.044 4.343 4.420 -0.202 0.000 0.302 13 P C -0.499 176.747 177.300 -0.090 0.000 1.301 13 P CA -0.155 62.854 63.100 -0.151 0.000 0.745 13 P CB 0.976 32.573 31.700 -0.171 0.000 1.331 14 E N -1.744 118.416 120.200 -0.067 0.000 2.201 14 E HA -0.050 4.291 4.350 -0.015 0.000 0.193 14 E C 1.171 177.778 176.600 0.011 0.000 0.957 14 E CA 2.162 58.556 56.400 -0.009 0.000 0.858 14 E CB -0.168 29.551 29.700 0.031 0.000 0.816 14 E HN 0.294 8.595 8.360 -0.098 0.000 0.475 15 R N -1.361 119.151 120.500 0.021 0.000 2.285 15 R HA -0.189 4.175 4.340 0.040 0.000 0.213 15 R C -0.596 175.713 176.300 0.015 0.000 1.068 15 R CA 1.596 57.715 56.100 0.032 0.000 1.004 15 R CB 0.148 30.478 30.300 0.049 0.000 0.873 15 R HN 0.019 8.297 8.270 0.015 0.000 0.467 16 V N 2.224 122.136 119.914 -0.002 0.000 2.221 16 V HA 0.068 4.191 4.120 0.005 0.000 0.258 16 V C -1.143 174.954 176.094 0.006 0.000 1.179 16 V CA -1.603 60.696 62.300 -0.003 0.000 1.022 16 V CB -1.423 30.386 31.823 -0.023 0.000 1.228 16 V HN -0.388 7.730 8.190 -0.016 0.063 0.487 17 T N 5.491 120.058 114.554 0.022 0.000 2.862 17 T HA 0.451 4.811 4.350 0.018 0.000 0.276 17 T C -0.399 174.332 174.700 0.052 0.000 0.974 17 T CA -2.837 59.281 62.100 0.030 0.000 0.966 17 T CB -0.439 68.450 68.868 0.035 0.000 1.072 17 T HN -0.560 7.695 8.240 0.025 0.000 0.538 18 P HA -0.196 4.278 4.420 0.090 0.000 0.222 18 P C 1.570 178.978 177.300 0.181 0.000 1.147 18 P CA 2.520 65.674 63.100 0.091 0.000 0.790 18 P CB 0.191 31.912 31.700 0.036 0.000 0.780 19 Q N -1.279 118.613 119.800 0.152 0.000 2.077 19 Q HA -0.394 4.103 4.340 0.262 0.000 0.206 19 Q C 2.062 178.144 176.000 0.136 0.000 0.989 19 Q CA 4.347 60.254 55.803 0.172 0.000 0.853 19 Q CB -0.503 28.294 28.738 0.098 0.000 0.907 19 Q HN 0.528 8.826 8.270 0.104 0.034 0.418 20 S N -0.246 115.511 115.700 0.095 0.000 2.357 20 S HA -0.236 4.256 4.470 0.036 0.000 0.221 20 S C 1.929 176.585 174.600 0.092 0.000 1.031 20 S CA 2.905 61.142 58.200 0.062 0.000 0.982 20 S CB -0.279 62.944 63.200 0.038 0.000 0.853 20 S HN -0.699 7.662 8.310 0.084 0.000 0.458 21 L N 1.335 122.633 121.223 0.125 0.000 2.046 21 L HA -0.334 4.079 4.340 0.122 0.000 0.208 21 L C 1.313 178.371 176.870 0.313 0.000 1.077 21 L CA 3.172 58.115 54.840 0.172 0.000 0.747 21 L CB -0.134 42.017 42.059 0.153 0.000 0.896 21 L HN -0.846 7.449 8.230 0.109 0.000 0.432 22 F N -0.329 119.685 119.950 0.106 0.000 2.161 22 F HA -0.374 4.264 4.527 0.185 0.000 0.300 22 F C 1.456 177.313 175.800 0.096 0.000 1.089 22 F CA 0.971 59.047 58.000 0.128 0.000 1.282 22 F CB -0.577 38.472 39.000 0.082 0.000 1.010 22 F HN 0.829 9.202 8.300 0.365 0.145 0.485 23 I N -1.445 119.157 120.570 0.053 0.000 2.264 23 I HA -0.463 3.527 4.170 -0.300 0.000 0.248 23 I C 1.296 177.358 176.117 -0.093 0.000 1.111 23 I CA 3.643 64.864 61.300 -0.132 0.000 1.382 23 I CB -0.048 37.904 38.000 -0.081 0.000 1.060 23 I HN -0.814 7.361 8.210 0.125 0.110 0.418 24 L N -1.558 119.655 121.223 -0.016 0.000 1.989 24 L HA -0.384 3.871 4.340 -0.143 0.000 0.211 24 L C 2.723 179.454 176.870 -0.232 0.000 1.071 24 L CA 3.242 58.007 54.840 -0.124 0.000 0.749 24 L CB -1.111 40.876 42.059 -0.120 0.000 0.890 24 L HN -0.647 7.508 8.230 0.059 0.110 0.431 25 F N -1.385 118.534 119.950 -0.053 0.000 2.367 25 F HA -0.188 4.216 4.527 -0.205 0.000 0.298 25 F C 2.136 177.465 175.800 -0.784 0.000 1.094 25 F CA 2.947 60.829 58.000 -0.197 0.000 1.409 25 F CB -0.290 38.843 39.000 0.221 0.000 1.064 25 F HN -0.607 7.900 8.300 0.345 0.000 0.528 26 G N -1.737 106.938 108.800 -0.208 0.000 2.501 26 G HA2 -0.348 3.336 3.960 -0.483 0.000 0.220 26 G HA3 -0.348 3.499 3.960 -0.188 0.000 0.220 26 G C 1.623 176.248 174.900 -0.459 0.000 1.114 26 G CA 1.767 46.639 45.100 -0.380 0.000 0.757 26 G HN 0.924 8.999 8.290 0.011 0.222 0.559 27 V N 3.758 123.371 119.914 -0.503 0.000 2.418 27 V HA -0.378 3.623 4.120 -0.199 0.000 0.258 27 V C -0.062 175.895 176.094 -0.229 0.000 1.088 27 V CA 3.039 65.147 62.300 -0.320 0.000 1.091 27 V CB -0.058 31.606 31.823 -0.266 0.000 0.669 27 V HN -0.508 7.226 8.190 -0.476 0.170 0.461 28 Y N -6.289 114.028 120.300 0.028 0.000 2.467 28 Y HA 0.290 4.828 4.550 -0.020 0.000 0.250 28 Y C 0.061 175.983 175.900 0.036 0.000 1.155 28 Y CA -2.656 55.451 58.100 0.012 0.000 1.249 28 Y CB -1.037 37.433 38.460 0.015 0.000 1.146 28 Y HN -0.669 6.725 8.280 -1.418 0.034 0.524 29 G N 2.056 111.048 108.800 0.321 0.000 2.395 29 G HA2 -0.390 3.666 3.960 0.159 0.000 0.292 29 G HA3 -0.390 3.708 3.960 0.230 0.000 0.292 29 G C -0.076 175.034 174.900 0.351 0.000 0.953 29 G CA 1.367 46.634 45.100 0.279 0.000 1.207 29 G HN 0.136 8.184 8.290 -0.011 0.235 0.503 30 D N -3.273 117.438 120.400 0.518 0.000 2.514 30 D HA 0.011 4.687 4.640 0.059 0.000 0.225 30 D C -1.328 175.031 176.300 0.098 0.000 1.159 30 D CA 0.489 54.569 54.000 0.133 0.000 0.823 30 D CB 2.097 42.806 40.800 -0.152 0.000 1.097 30 D HN -0.035 8.928 8.370 0.988 0.000 0.519 31 V N 1.680 121.792 119.914 0.329 0.000 2.409 31 V HA -0.254 4.005 4.120 0.070 -0.096 0.270 31 V C 0.703 176.862 176.094 0.107 0.000 1.019 31 V CA 0.979 63.400 62.300 0.202 0.000 1.066 31 V CB -0.009 32.008 31.823 0.324 0.000 1.021 31 V HN -0.450 8.114 8.190 0.625 0.000 0.476 32 Q N 5.851 125.634 119.800 -0.029 0.000 2.135 32 Q HA -0.256 3.883 4.340 -0.337 0.000 0.204 32 Q C 0.283 176.334 176.000 0.084 0.000 0.981 32 Q CA 2.674 58.413 55.803 -0.107 0.000 0.856 32 Q CB 0.413 29.091 28.738 -0.099 0.000 0.902 32 Q HN 0.623 8.790 8.270 -0.046 0.075 0.425 33 R N -5.123 115.406 120.500 0.048 0.000 2.629 33 R HA 0.268 4.771 4.340 0.140 -0.079 0.266 33 R C -2.984 173.254 176.300 -0.104 0.000 1.051 33 R CA -0.227 55.899 56.100 0.043 0.000 0.895 33 R CB 4.474 34.797 30.300 0.039 0.000 1.246 33 R HN -0.771 7.480 8.270 -0.011 0.012 0.459 34 V N 2.060 121.870 119.914 -0.173 0.000 2.540 34 V HA 0.762 4.913 4.120 -0.263 -0.189 0.302 34 V C -2.199 173.804 176.094 -0.152 0.000 1.035 34 V CA -3.423 58.715 62.300 -0.271 0.000 0.873 34 V CB 3.918 35.409 31.823 -0.553 0.000 0.992 34 V HN 1.184 9.190 8.190 -0.113 0.116 0.428 35 K N 8.827 129.156 120.400 -0.119 0.000 2.292 35 K HA 0.416 4.809 4.320 -0.057 -0.108 0.257 35 K C -1.925 174.644 176.600 -0.052 0.000 0.940 35 K CA -1.635 54.612 56.287 -0.066 0.000 0.811 35 K CB 2.394 34.868 32.500 -0.044 0.000 1.120 35 K HN -0.188 7.981 8.250 -0.134 0.000 0.428 36 I N 4.167 124.717 120.570 -0.033 0.000 2.468 36 I HA 0.530 4.991 4.170 -0.021 -0.304 0.285 36 I C -1.967 174.152 176.117 0.003 0.000 1.039 36 I CA -1.479 59.809 61.300 -0.019 0.000 1.074 36 I CB 0.839 38.824 38.000 -0.025 0.000 1.228 36 I HN -0.225 7.966 8.210 -0.031 0.000 0.436 37 L N 3.851 125.089 121.223 0.024 0.000 1.437 37 L HA 0.096 4.452 4.340 0.028 0.000 0.055 37 L C 0.091 177.016 176.870 0.091 0.000 1.657 37 L CA 1.149 56.020 54.840 0.052 0.000 1.024 37 L CB -0.148 41.950 42.059 0.064 0.000 1.934 37 L HN -0.649 7.802 8.230 0.023 -0.207 0.411 38 F N 3.108 123.041 119.950 -0.028 0.000 2.449 38 F HA -0.296 4.217 4.527 -0.024 0.000 0.299 38 F C 0.964 176.748 175.800 -0.028 0.000 1.092 38 F CA 2.157 60.142 58.000 -0.025 0.000 1.446 38 F CB -0.238 38.749 39.000 -0.022 0.000 1.084 38 F HN 0.291 8.750 8.300 0.265 0.000 0.567 39 N N -1.709 116.945 118.700 -0.077 0.000 2.417 39 N HA -0.308 4.337 4.740 -0.158 0.000 0.187 39 N C -0.133 175.237 175.510 -0.233 0.000 1.027 39 N CA 0.480 53.439 53.050 -0.152 0.000 0.891 39 N CB -0.259 38.188 38.487 -0.067 0.000 0.956 39 N HN -0.199 8.123 8.380 0.031 0.076 0.442 40 K N -1.263 118.996 120.400 -0.235 0.000 3.278 40 K HA -0.461 3.759 4.320 -0.167 0.000 0.270 40 K C -1.138 175.370 176.600 -0.153 0.000 0.955 40 K CA 1.246 57.405 56.287 -0.213 0.000 0.723 40 K CB -1.950 30.359 32.500 -0.319 0.000 1.382 40 K HN -0.535 7.538 8.250 -0.189 0.063 0.461 41 K N -3.983 116.350 120.400 -0.113 0.000 2.598 41 K HA -0.337 4.028 4.320 -0.075 -0.090 0.593 41 K C -0.170 176.372 176.600 -0.096 0.000 2.574 41 K CA 1.388 57.619 56.287 -0.093 0.000 1.992 41 K CB -0.627 31.814 32.500 -0.098 0.000 2.737 41 K HN -0.061 8.130 8.250 -0.099 0.000 0.172 42 E N -5.996 114.157 120.200 -0.078 0.000 3.496 42 E HA -0.603 3.873 4.350 -0.061 -0.162 0.300 42 E C -1.964 174.601 176.600 -0.059 0.000 0.877 42 E CA 1.606 57.964 56.400 -0.071 0.000 1.050 42 E CB -0.141 29.506 29.700 -0.088 0.000 1.532 42 E HN 0.650 8.787 8.360 -0.071 0.181 0.447 43 N N -4.076 114.588 118.700 -0.060 0.000 2.396 43 N HA 0.229 5.061 4.740 -0.035 -0.113 0.275 43 N C -2.584 172.902 175.510 -0.041 0.000 1.218 43 N CA 0.003 53.023 53.050 -0.050 0.000 0.812 43 N CB 4.013 42.453 38.487 -0.079 0.000 1.592 43 N HN -0.575 7.698 8.380 -0.064 0.069 0.480 44 A N -1.974 120.823 122.820 -0.038 0.000 2.610 44 A HA 0.368 4.854 4.320 -0.046 -0.194 0.291 44 A C -2.739 174.798 177.584 -0.077 0.000 1.086 44 A CA -1.179 50.827 52.037 -0.051 0.000 0.677 44 A CB 3.606 22.583 19.000 -0.039 0.000 1.278 44 A HN -0.290 7.839 8.150 -0.035 0.000 0.414 45 L N -0.349 120.813 121.223 -0.102 0.000 2.319 45 L HA 0.564 4.839 4.340 -0.108 0.000 0.281 45 L C -2.001 174.752 176.870 -0.195 0.000 1.005 45 L CA -1.352 53.416 54.840 -0.120 0.000 0.828 45 L CB 2.482 44.494 42.059 -0.078 0.000 1.227 45 L HN -0.062 8.107 8.230 -0.102 0.000 0.415 46 V N 5.362 125.133 119.914 -0.239 0.000 2.378 46 V HA 0.150 4.084 4.120 -0.310 0.000 0.288 46 V C -2.545 173.434 176.094 -0.191 0.000 1.016 46 V CA -1.311 60.815 62.300 -0.290 0.000 0.840 46 V CB 2.612 34.130 31.823 -0.508 0.000 0.994 46 V HN -0.114 7.943 8.190 -0.221 0.000 0.431 47 Q N 7.514 127.229 119.800 -0.142 0.000 2.347 47 Q HA 0.381 4.663 4.340 -0.096 0.000 0.262 47 Q C -1.513 174.445 176.000 -0.070 0.000 0.980 47 Q CA -0.958 54.788 55.803 -0.094 0.000 0.867 47 Q CB 1.669 30.360 28.738 -0.078 0.000 1.242 47 Q HN -0.004 8.168 8.270 -0.163 0.000 0.453 48 M N 4.740 124.290 119.600 -0.082 0.000 1.588 48 M HA 0.136 4.625 4.480 -0.091 -0.063 0.257 48 M C -0.869 175.360 176.300 -0.119 0.000 0.907 48 M CA 2.258 57.498 55.300 -0.102 0.000 0.975 48 M CB 0.894 33.423 32.600 -0.117 0.000 1.934 48 M HN 0.331 8.569 8.290 -0.087 0.000 0.724 49 A N 0.627 123.383 122.820 -0.106 0.000 1.917 49 A HA -0.296 4.009 4.320 -0.098 -0.044 0.219 49 A C 0.870 178.414 177.584 -0.066 0.000 1.182 49 A CA 2.765 54.752 52.037 -0.083 0.000 0.633 49 A CB -0.656 18.313 19.000 -0.051 0.000 0.819 49 A HN 0.045 8.136 8.150 -0.099 0.000 0.448 50 D N -4.101 116.262 120.400 -0.061 0.000 2.964 50 D HA -0.389 4.221 4.640 -0.050 0.000 0.226 50 D C 0.381 176.657 176.300 -0.041 0.000 1.187 50 D CA 2.211 56.180 54.000 -0.052 0.000 0.787 50 D CB -0.981 39.785 40.800 -0.057 0.000 1.085 50 D HN -0.128 8.204 8.370 -0.064 0.000 0.413 51 G N -2.702 106.076 108.800 -0.035 0.000 2.956 51 G HA2 -0.489 3.457 3.960 -0.022 0.000 0.210 51 G HA3 -0.489 3.461 3.960 -0.016 0.000 0.210 51 G C 0.078 174.963 174.900 -0.025 0.000 1.316 51 G CA 1.066 46.152 45.100 -0.024 0.000 0.819 51 G HN -0.348 7.836 8.290 -0.039 0.083 0.544 52 N N 3.534 122.213 118.700 -0.035 0.000 2.109 52 N HA -0.218 4.506 4.740 -0.026 0.000 0.188 52 N C 1.844 177.324 175.510 -0.051 0.000 1.034 52 N CA 3.012 56.040 53.050 -0.037 0.000 0.846 52 N CB 0.145 38.608 38.487 -0.040 0.000 1.010 52 N HN -0.156 8.135 8.380 -0.039 0.065 0.425 53 Q N -0.333 119.418 119.800 -0.080 0.000 2.135 53 Q HA -0.351 3.907 4.340 -0.136 0.000 0.204 53 Q C 1.760 177.704 176.000 -0.094 0.000 0.981 53 Q CA 3.415 59.139 55.803 -0.132 0.000 0.856 53 Q CB -0.247 28.372 28.738 -0.199 0.000 0.902 53 Q HN -0.191 7.965 8.270 -0.080 0.066 0.425 54 A N -2.326 120.466 122.820 -0.047 0.000 1.978 54 A HA -0.364 4.039 4.320 0.042 -0.057 0.220 54 A C 1.766 179.369 177.584 0.033 0.000 1.170 54 A CA 2.997 55.042 52.037 0.013 0.000 0.636 54 A CB -1.252 17.758 19.000 0.016 0.000 0.810 54 A HN 0.304 8.413 8.150 -0.051 0.010 0.448 55 Q N -1.732 118.075 119.800 0.010 0.000 2.045 55 Q HA -0.331 4.028 4.340 0.032 0.000 0.206 55 Q C 2.472 178.497 176.000 0.043 0.000 0.991 55 Q CA 3.421 59.238 55.803 0.023 0.000 0.851 55 Q CB -0.360 28.381 28.738 0.005 0.000 0.911 55 Q HN -0.312 7.822 8.270 -0.009 0.130 0.418 56 L N -2.209 119.026 121.223 0.020 0.000 2.049 56 L HA -0.211 4.166 4.340 0.062 0.000 0.203 56 L C 1.545 178.493 176.870 0.130 0.000 1.074 56 L CA 2.856 57.722 54.840 0.043 0.000 0.749 56 L CB -0.291 41.752 42.059 -0.028 0.000 0.907 56 L HN -0.865 7.284 8.230 -0.014 0.073 0.439 57 A N -1.219 121.659 122.820 0.095 0.000 1.854 57 A HA -0.229 4.385 4.320 0.491 0.000 0.214 57 A C 1.930 179.713 177.584 0.332 0.000 1.192 57 A CA 2.999 55.217 52.037 0.302 0.000 0.611 57 A CB -0.595 18.500 19.000 0.158 0.000 0.832 57 A HN 0.841 8.857 8.150 -0.022 0.120 0.442 58 M N -0.725 119.005 119.600 0.216 0.000 2.082 58 M HA -0.402 4.311 4.480 0.244 -0.087 0.258 58 M C 2.432 178.829 176.300 0.162 0.000 1.069 58 M CA 3.861 59.276 55.300 0.191 0.000 1.102 58 M CB -0.132 32.533 32.600 0.109 0.000 1.336 58 M HN -0.420 7.808 8.290 0.141 0.147 0.404 59 S N -2.204 113.578 115.700 0.138 0.000 2.362 59 S HA -0.315 4.197 4.470 0.070 0.000 0.221 59 S C 1.002 175.679 174.600 0.129 0.000 1.032 59 S CA 3.440 61.704 58.200 0.106 0.000 0.973 59 S CB -0.400 62.855 63.200 0.092 0.000 0.849 59 S HN -0.422 7.966 8.310 0.131 0.000 0.465 60 H N 1.181 120.304 119.070 0.087 0.000 2.353 60 H HA -0.221 4.371 4.556 0.059 0.000 0.300 60 H C 1.247 176.622 175.328 0.079 0.000 1.090 60 H CA 2.936 59.033 56.048 0.083 0.000 1.327 60 H CB 0.691 30.522 29.762 0.115 0.000 1.383 60 H HN -0.439 8.016 8.280 0.292 0.000 0.508 61 L N -3.648 117.650 121.223 0.124 0.000 2.102 61 L HA -0.165 4.109 4.340 -0.109 0.000 0.202 61 L C 0.165 177.116 176.870 0.135 0.000 1.076 61 L CA 1.793 56.653 54.840 0.032 0.000 0.761 61 L CB 0.956 43.041 42.059 0.044 0.000 0.921 61 L HN 0.205 8.487 8.230 0.274 0.113 0.444 62 N N -2.123 116.651 118.700 0.124 0.000 2.235 62 N HA -0.181 4.572 4.740 0.022 0.000 0.231 62 N C 0.691 176.078 175.510 -0.205 0.000 1.330 62 N CA 1.442 54.489 53.050 -0.005 0.000 0.898 62 N CB 0.089 38.592 38.487 0.028 0.000 1.151 62 N HN -0.650 7.823 8.380 0.155 0.000 0.472 63 G N -4.304 104.273 108.800 -0.371 0.000 2.309 63 G HA2 -0.254 3.605 3.960 -0.168 0.000 0.286 63 G HA3 -0.254 3.518 3.960 -0.312 0.000 0.286 63 G C -0.174 174.551 174.900 -0.291 0.000 1.002 63 G CA 1.820 46.738 45.100 -0.304 0.000 0.786 63 G HN 0.417 8.482 8.290 -0.374 0.000 0.511 64 H N -1.652 117.395 119.070 -0.038 0.000 2.491 64 H HA -0.258 4.240 4.556 -0.097 0.000 0.290 64 H C 0.444 175.764 175.328 -0.014 0.000 1.050 64 H CA -0.529 55.483 56.048 -0.058 0.000 1.309 64 H CB 0.365 30.084 29.762 -0.070 0.000 1.392 64 H HN -0.313 7.187 8.280 -1.217 0.049 0.554 65 K N -0.283 120.212 120.400 0.158 0.000 6.195 65 K HA -0.265 4.119 4.320 0.108 0.000 0.682 65 K C -1.624 175.186 176.600 0.349 0.000 1.565 65 K CA -0.128 56.274 56.287 0.192 0.000 1.637 65 K CB -0.566 31.982 32.500 0.080 0.000 1.930 65 K HN -0.382 7.665 8.250 -0.283 0.033 0.344 66 L N 2.299 123.720 121.223 0.330 0.000 2.380 66 L HA 0.140 4.569 4.340 0.149 0.000 0.273 66 L C 0.606 177.586 176.870 0.183 0.000 1.138 66 L CA 0.577 55.529 54.840 0.186 0.000 0.832 66 L CB 0.440 42.555 42.059 0.093 0.000 1.124 66 L HN 0.025 8.439 8.230 0.306 0.000 0.454 67 H N -0.236 118.848 119.070 0.024 0.000 3.230 67 H HA 0.324 4.901 4.556 0.035 0.000 0.259 67 H C 0.106 175.443 175.328 0.016 0.000 1.195 67 H CA -0.189 55.873 56.048 0.024 0.000 1.112 67 H CB 0.549 30.321 29.762 0.016 0.000 1.638 67 H HN 0.280 8.307 8.280 -0.422 0.000 0.624 68 G N 0.952 109.510 108.800 -0.402 0.000 2.316 68 G HA2 0.077 3.822 3.960 -0.358 0.000 0.196 68 G HA3 0.077 3.953 3.960 -0.140 0.000 0.196 68 G C -1.699 173.087 174.900 -0.190 0.000 1.478 68 G CA 0.669 45.605 45.100 -0.273 0.000 0.595 68 G HN -0.101 7.917 8.290 -0.454 0.000 1.111 69 K N -0.018 120.252 120.400 -0.216 0.000 2.545 69 K HA 0.512 4.772 4.320 -0.100 0.000 0.252 69 K C -2.603 173.936 176.600 -0.101 0.000 0.948 69 K CA -3.563 52.643 56.287 -0.135 0.000 0.827 69 K CB 1.524 33.935 32.500 -0.147 0.000 1.128 69 K HN -0.482 7.581 8.250 -0.312 0.000 0.429 70 P HA 0.069 4.489 4.420 -0.000 0.000 0.271 70 P C -1.516 175.768 177.300 -0.027 0.000 1.380 70 P CA -0.137 62.950 63.100 -0.021 0.000 0.992 70 P CB -1.010 30.686 31.700 -0.007 0.000 1.230 71 I N -0.396 120.156 120.570 -0.030 0.000 2.460 71 I HA 0.237 4.395 4.170 -0.021 0.000 0.298 71 I C -1.514 174.632 176.117 0.049 0.000 0.989 71 I CA -1.936 59.351 61.300 -0.022 0.000 1.173 71 I CB 3.110 41.058 38.000 -0.086 0.000 1.338 71 I HN -0.520 7.668 8.210 -0.037 0.000 0.456 72 R N 4.415 124.948 120.500 0.055 0.000 2.532 72 R HA 0.390 4.798 4.340 0.114 0.000 0.295 72 R C -2.065 174.304 176.300 0.115 0.000 0.968 72 R CA -1.265 54.886 56.100 0.086 0.000 0.916 72 R CB 3.184 33.508 30.300 0.041 0.000 1.124 72 R HN -0.242 8.046 8.270 0.030 0.000 0.463 73 I N 4.476 125.135 120.570 0.149 0.000 2.466 73 I HA 0.771 5.189 4.170 0.157 -0.154 0.289 73 I C -1.282 174.900 176.117 0.110 0.000 1.026 73 I CA -2.323 59.078 61.300 0.168 0.000 1.078 73 I CB 2.829 40.994 38.000 0.276 0.000 1.249 73 I HN 0.367 8.666 8.210 0.148 0.000 0.429 74 T N 9.452 124.051 114.554 0.076 0.000 2.930 74 T HA 0.348 4.729 4.350 0.051 0.000 0.290 74 T C -2.210 172.513 174.700 0.039 0.000 1.052 74 T CA -1.531 60.598 62.100 0.049 0.000 1.017 74 T CB 2.012 70.898 68.868 0.030 0.000 1.137 74 T HN 0.768 9.049 8.240 0.068 0.000 0.511 75 L N 2.586 123.828 121.223 0.033 0.000 2.319 75 L HA 0.358 4.708 4.340 0.016 0.000 0.281 75 L C -1.058 175.825 176.870 0.022 0.000 1.005 75 L CA -1.556 53.298 54.840 0.025 0.000 0.828 75 L CB 2.528 44.605 42.059 0.031 0.000 1.227 75 L HN 0.051 8.300 8.230 0.032 0.000 0.415 76 S N 6.952 122.663 115.700 0.018 0.000 2.599 76 S HA -0.195 4.301 4.470 0.044 0.000 0.303 76 S C -0.106 174.524 174.600 0.050 0.000 1.267 76 S CA 1.166 59.388 58.200 0.037 0.000 1.055 76 S CB 1.001 64.218 63.200 0.027 0.000 0.790 76 S HN 0.131 8.444 8.310 0.004 0.000 0.500 77 K N 4.458 124.898 120.400 0.067 0.000 2.786 77 K HA -0.019 4.330 4.320 0.048 0.000 0.224 77 K C 0.246 176.925 176.600 0.132 0.000 1.089 77 K CA 0.040 56.364 56.287 0.062 0.000 1.162 77 K CB 0.280 32.796 32.500 0.026 0.000 1.585 77 K HN -0.018 8.275 8.250 0.071 0.000 0.466 78 H N 0.501 119.569 119.070 -0.004 0.000 3.025 78 H HA -0.121 4.431 4.556 -0.006 0.000 0.306 78 H C -0.388 174.935 175.328 -0.007 0.000 0.903 78 H CA 0.092 56.136 56.048 -0.007 0.000 0.966 78 H CB -0.270 29.486 29.762 -0.009 0.000 1.577 78 H HN 0.036 8.325 8.280 0.015 0.000 0.333 79 Q N 2.095 121.938 119.800 0.072 0.000 2.212 79 Q HA -0.170 4.205 4.340 0.058 0.000 0.199 79 Q C 0.675 176.721 176.000 0.077 0.000 0.950 79 Q CA 0.949 56.787 55.803 0.058 0.000 0.863 79 Q CB 0.389 29.137 28.738 0.016 0.000 0.944 79 Q HN 0.344 8.607 8.270 -0.011 0.000 0.465 80 N N -1.119 117.640 118.700 0.099 0.000 2.202 80 N HA -0.135 4.637 4.740 0.053 0.000 0.228 80 N C -0.138 175.431 175.510 0.099 0.000 1.340 80 N CA 0.498 53.605 53.050 0.096 0.000 0.865 80 N CB 0.457 39.014 38.487 0.117 0.000 1.062 80 N HN -0.483 7.942 8.380 0.075 0.000 0.452 81 V N 0.092 120.045 119.914 0.065 0.000 2.293 81 V HA 0.155 4.286 4.120 0.018 0.000 0.275 81 V C -1.340 174.756 176.094 0.004 0.000 1.021 81 V CA -0.341 61.974 62.300 0.026 0.000 0.815 81 V CB 0.700 32.531 31.823 0.014 0.000 1.025 81 V HN 0.046 8.272 8.190 0.059 0.000 0.448 82 Q N 8.487 128.260 119.800 -0.045 0.000 2.245 82 Q HA 0.287 4.593 4.340 -0.057 0.000 0.256 82 Q C -0.511 175.438 176.000 -0.083 0.000 0.942 82 Q CA -0.730 55.014 55.803 -0.098 0.000 0.896 82 Q CB 1.786 30.357 28.738 -0.277 0.000 1.272 82 Q HN 0.140 8.377 8.270 -0.055 0.000 0.442 83 L N 4.161 125.345 121.223 -0.064 0.000 2.375 83 L HA 0.443 4.755 4.340 -0.047 0.000 0.268 83 L C -0.754 176.081 176.870 -0.058 0.000 1.058 83 L CA -2.250 52.560 54.840 -0.051 0.000 0.803 83 L CB -0.675 41.364 42.059 -0.034 0.000 1.212 83 L HN 0.327 8.523 8.230 -0.057 0.000 0.451 84 P HA 0.023 4.409 4.420 -0.056 0.000 0.312 84 P C -1.285 175.994 177.300 -0.036 0.000 1.307 84 P CA -0.601 62.472 63.100 -0.046 0.000 0.738 84 P CB 0.562 32.240 31.700 -0.037 0.000 1.422 85 R N -2.227 118.256 120.500 -0.028 0.000 3.422 85 R HA -0.244 4.088 4.340 -0.015 0.000 0.267 85 R C -1.083 175.203 176.300 -0.023 0.000 1.074 85 R CA 1.501 57.589 56.100 -0.020 0.000 0.718 85 R CB -1.464 28.826 30.300 -0.016 0.000 1.157 85 R HN 0.411 8.665 8.270 -0.028 0.000 0.440 86 E N -2.793 117.388 120.200 -0.031 0.000 3.640 86 E HA 0.121 4.455 4.350 -0.027 0.000 0.157 86 E C -1.245 175.332 176.600 -0.039 0.000 0.974 86 E CA -0.066 56.314 56.400 -0.034 0.000 1.465 86 E CB 1.024 30.700 29.700 -0.040 0.000 1.098 86 E HN -0.177 8.157 8.360 -0.034 0.005 0.414 87 G N 0.737 109.517 108.800 -0.033 0.000 4.193 87 G HA2 -0.056 3.879 3.960 -0.042 0.000 0.238 87 G HA3 -0.056 3.884 3.960 -0.034 0.000 0.238 87 G C -1.025 173.860 174.900 -0.025 0.000 3.770 87 G CA -0.029 45.050 45.100 -0.034 0.000 0.587 87 G HN -0.160 8.114 8.290 -0.027 0.000 0.219 88 Q N -2.419 117.371 119.800 -0.017 0.000 2.113 88 Q HA 0.184 4.520 4.340 -0.006 0.000 0.225 88 Q C -1.161 174.835 176.000 -0.007 0.000 0.786 88 Q CA -0.369 55.430 55.803 -0.007 0.000 0.989 88 Q CB 1.579 30.318 28.738 0.003 0.000 1.174 88 Q HN -0.312 7.947 8.270 -0.017 0.000 0.470 89 E N -4.034 116.157 120.200 -0.015 0.000 2.101 89 E HA -0.002 4.333 4.350 -0.026 0.000 0.121 89 E C -1.832 174.754 176.600 -0.024 0.000 0.753 89 E CA 0.679 57.067 56.400 -0.020 0.000 1.358 89 E CB 0.520 30.213 29.700 -0.011 0.000 1.965 89 E HN -0.145 8.204 8.360 -0.018 0.000 0.515 90 D N -0.656 119.730 120.400 -0.024 0.000 2.369 90 D HA 0.144 4.770 4.640 -0.023 0.000 0.211 90 D C 0.768 177.048 176.300 -0.033 0.000 1.077 90 D CA 0.252 54.236 54.000 -0.026 0.000 0.842 90 D CB 0.270 41.056 40.800 -0.024 0.000 0.947 90 D HN -0.168 8.189 8.370 -0.023 0.000 0.509 91 Q N -2.130 117.650 119.800 -0.033 0.000 2.297 91 Q HA 0.080 4.389 4.340 -0.052 0.000 0.203 91 Q C 0.387 176.373 176.000 -0.024 0.000 0.931 91 Q CA 1.221 57.002 55.803 -0.037 0.000 0.885 91 Q CB 2.086 30.807 28.738 -0.029 0.000 0.991 91 Q HN 0.017 8.212 8.270 -0.030 0.057 0.498 92 G N -1.612 107.174 108.800 -0.023 0.000 3.714 92 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.146 92 G HA3 -0.190 3.754 3.960 -0.027 0.000 0.146 92 G C -2.040 172.842 174.900 -0.030 0.000 2.286 92 G CA -0.203 44.885 45.100 -0.020 0.000 1.218 92 G HN -0.379 7.895 8.290 -0.028 0.000 0.362 93 L N 3.880 125.092 121.223 -0.019 0.000 2.319 93 L HA 0.325 4.640 4.340 -0.043 0.000 0.281 93 L C -1.902 174.951 176.870 -0.028 0.000 1.005 93 L CA -0.437 54.386 54.840 -0.028 0.000 0.828 93 L CB 1.864 43.913 42.059 -0.017 0.000 1.227 93 L HN -0.167 8.060 8.230 -0.006 0.000 0.415 94 T N 1.700 116.234 114.554 -0.034 0.000 2.881 94 T HA 0.228 4.557 4.350 -0.035 0.000 0.291 94 T C -1.282 173.402 174.700 -0.026 0.000 0.990 94 T CA -1.730 60.351 62.100 -0.030 0.000 0.976 94 T CB 1.443 70.297 68.868 -0.024 0.000 0.970 94 T HN 0.196 8.411 8.240 -0.042 0.000 0.438 95 K N 4.879 125.261 120.400 -0.031 0.000 2.207 95 K HA 0.319 4.633 4.320 -0.009 0.000 0.255 95 K C -1.608 174.994 176.600 0.003 0.000 0.941 95 K CA -1.672 54.606 56.287 -0.016 0.000 0.825 95 K CB 3.477 35.966 32.500 -0.018 0.000 1.119 95 K HN 0.892 9.009 8.250 -0.049 0.104 0.430 96 D N 3.358 123.772 120.400 0.023 0.000 2.168 96 D HA 0.228 4.988 4.640 0.201 0.000 0.246 96 D C -0.632 175.705 176.300 0.063 0.000 1.050 96 D CA -0.607 53.453 54.000 0.100 0.000 0.857 96 D CB 1.595 42.413 40.800 0.030 0.000 1.169 96 D HN 0.227 8.594 8.370 -0.005 0.000 0.453 97 Y N 1.060 121.464 120.300 0.174 0.000 3.167 97 Y HA -0.564 4.413 4.550 0.712 0.000 0.354 97 Y C 1.037 177.088 175.900 0.251 0.000 1.253 97 Y CA 0.775 59.094 58.100 0.366 0.000 1.580 97 Y CB -0.405 38.228 38.460 0.289 0.000 1.164 97 Y HN -0.399 8.329 8.280 0.747 0.000 0.617 98 G N 5.663 114.564 108.800 0.169 0.000 3.127 98 G HA2 -0.364 3.509 3.960 -0.145 0.000 0.280 98 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.280 98 G C -1.435 173.455 174.900 -0.017 0.000 1.491 98 G CA 0.292 45.376 45.100 -0.025 0.000 1.029 98 G HN 0.349 8.871 8.290 0.387 0.000 0.582 99 N N 1.205 119.845 118.700 -0.099 0.000 4.104 99 N HA 0.055 4.786 4.740 -0.014 0.000 0.214 99 N C -2.251 173.219 175.510 -0.066 0.000 1.270 99 N CA -0.686 52.337 53.050 -0.045 0.000 0.894 99 N CB 1.116 39.596 38.487 -0.012 0.000 1.495 99 N HN -0.322 7.935 8.380 -0.204 0.000 0.506 100 S N 0.555 116.237 115.700 -0.029 0.000 2.554 100 S HA 0.276 4.729 4.470 -0.028 0.000 0.278 100 S C -0.850 173.758 174.600 0.013 0.000 1.242 100 S CA -1.956 56.238 58.200 -0.010 0.000 1.051 100 S CB 0.956 64.163 63.200 0.012 0.000 0.986 100 S HN 0.138 8.440 8.310 -0.012 0.000 0.502 101 P HA 0.148 4.584 4.420 0.026 0.000 0.275 101 P C 0.494 177.824 177.300 0.050 0.000 1.266 101 P CA -0.919 62.206 63.100 0.042 0.000 0.793 101 P CB 0.546 32.284 31.700 0.064 0.000 1.074 102 L N -5.069 116.168 121.223 0.023 0.000 2.622 102 L HA 0.030 4.372 4.340 0.003 0.000 0.233 102 L C -0.674 176.151 176.870 -0.075 0.000 1.156 102 L CA 1.804 56.627 54.840 -0.029 0.000 0.866 102 L CB -1.428 40.583 42.059 -0.081 0.000 0.980 102 L HN 0.191 8.433 8.230 0.020 0.000 0.448 103 H N -2.129 116.957 119.070 0.026 0.000 2.581 103 H HA 0.215 4.772 4.556 0.002 0.000 0.275 103 H C 0.339 175.685 175.328 0.029 0.000 1.126 103 H CA -0.433 55.624 56.048 0.015 0.000 1.097 103 H CB 0.676 30.441 29.762 0.006 0.000 1.626 103 H HN -0.235 8.029 8.280 0.145 0.102 0.565 104 R N -0.736 119.866 120.500 0.171 0.000 2.062 104 R HA -0.107 4.309 4.340 0.127 0.000 0.226 104 R C -0.286 176.139 176.300 0.207 0.000 1.125 104 R CA 1.036 57.229 56.100 0.154 0.000 0.966 104 R CB 0.511 30.887 30.300 0.127 0.000 0.861 104 R HN -0.511 7.779 8.270 0.142 0.065 0.433 105 F N -1.238 118.738 119.950 0.043 0.000 2.557 105 F HA 0.324 4.872 4.527 0.034 0.000 0.336 105 F C -1.001 174.822 175.800 0.038 0.000 1.058 105 F CA -1.781 56.239 58.000 0.034 0.000 0.988 105 F CB 1.984 40.996 39.000 0.020 0.000 1.275 105 F HN -0.265 8.202 8.300 0.279 0.000 0.488 106 K N 1.247 120.796 120.400 -1.418 0.000 2.916 106 K HA -0.061 3.998 4.320 -0.435 0.000 0.320 106 K C -0.713 175.456 176.600 -0.718 0.000 1.032 106 K CA -0.296 55.453 56.287 -0.896 0.000 1.074 106 K CB 0.086 32.075 32.500 -0.851 0.000 1.192 106 K HN -0.039 6.801 8.250 -2.350 0.000 0.468 107 K N 2.528 122.678 120.400 -0.416 0.000 2.367 107 K HA -0.130 4.131 4.320 -0.097 0.000 0.275 107 K C -1.450 175.174 176.600 0.039 0.000 1.125 107 K CA -0.146 56.055 56.287 -0.144 0.000 1.133 107 K CB -1.418 31.030 32.500 -0.086 0.000 0.875 107 K HN 0.183 8.208 8.250 -0.376 0.000 0.467 108 P HA -0.028 4.764 4.420 0.619 0.000 0.286 108 P C -0.390 177.019 177.300 0.182 0.000 1.293 108 P CA -0.326 62.966 63.100 0.319 0.000 0.770 108 P CB 0.644 32.475 31.700 0.218 0.000 1.206 109 G N -1.549 107.333 108.800 0.135 0.000 2.911 109 G HA2 -0.124 3.880 3.960 0.074 0.000 0.686 109 G HA3 -0.124 3.873 3.960 0.062 0.000 0.686 109 G C -1.614 173.333 174.900 0.078 0.000 1.136 109 G CA -0.521 44.628 45.100 0.083 0.000 0.764 109 G HN 0.530 8.897 8.290 0.128 0.000 0.626 110 S N 0.496 116.228 115.700 0.053 0.000 2.806 110 S HA 0.221 4.723 4.470 0.053 0.000 0.315 110 S C -0.250 174.378 174.600 0.047 0.000 1.127 110 S CA -0.850 57.379 58.200 0.047 0.000 0.918 110 S CB 1.178 64.396 63.200 0.030 0.000 1.240 110 S HN -0.089 8.250 8.310 0.047 0.000 0.552 111 K N 0.691 121.121 120.400 0.049 0.000 2.185 111 K HA 0.316 4.664 4.320 0.047 0.000 0.240 111 K C -0.892 175.757 176.600 0.081 0.000 0.983 111 K CA -0.511 55.809 56.287 0.055 0.000 0.873 111 K CB 1.293 33.819 32.500 0.044 0.000 1.118 111 K HN 0.335 8.614 8.250 0.047 0.000 0.441 112 N N 0.264 119.033 118.700 0.114 0.000 2.996 112 N HA 0.146 4.958 4.740 0.121 0.000 0.312 112 N C -1.506 174.169 175.510 0.274 0.000 1.362 112 N CA -0.768 52.379 53.050 0.162 0.000 0.714 112 N CB 0.327 38.916 38.487 0.171 0.000 1.171 112 N HN -0.051 8.389 8.380 0.101 0.000 0.478 113 F N -0.294 119.662 119.950 0.010 0.000 2.110 113 F HA -0.144 4.376 4.527 -0.012 0.000 0.384 113 F C -1.160 174.641 175.800 0.001 0.000 1.145 113 F CA 0.690 58.688 58.000 -0.002 0.000 1.279 113 F CB 0.104 39.102 39.000 -0.003 0.000 1.963 113 F HN -0.089 8.383 8.300 0.286 0.000 0.745 114 Q N 3.279 123.050 119.800 -0.048 0.000 3.885 114 Q HA -0.002 4.352 4.340 0.024 0.000 0.182 114 Q C -1.505 174.451 176.000 -0.073 0.000 0.737 114 Q CA -0.483 55.318 55.803 -0.003 0.000 0.885 114 Q CB 0.242 29.019 28.738 0.065 0.000 1.563 114 Q HN 0.046 8.201 8.270 -0.192 0.000 0.399 115 N N -2.261 116.305 118.700 -0.223 0.000 3.118 115 N HA -0.288 4.188 4.740 -0.441 0.000 0.273 115 N C -2.210 172.873 175.510 -0.712 0.000 1.781 115 N CA 0.382 53.169 53.050 -0.438 0.000 1.752 115 N CB 0.046 38.380 38.487 -0.255 0.000 0.755 115 N HN -0.061 8.169 8.380 -0.249 0.000 0.493 116 I N -2.582 117.563 120.570 -0.708 0.000 2.365 116 I HA 0.286 4.243 4.170 -0.355 0.000 0.291 116 I C -1.081 174.604 176.117 -0.721 0.000 1.004 116 I CA -0.067 60.904 61.300 -0.547 0.000 1.311 116 I CB 0.449 38.237 38.000 -0.353 0.000 1.401 116 I HN -0.306 7.546 8.210 -0.596 0.000 0.491 117 F N 7.573 127.497 119.950 -0.043 0.000 2.523 117 F HA 0.367 4.879 4.527 -0.026 0.000 0.329 117 F C -1.773 174.017 175.800 -0.017 0.000 1.061 117 F CA -3.092 54.893 58.000 -0.025 0.000 0.967 117 F CB 0.653 39.644 39.000 -0.015 0.000 1.218 117 F HN -0.013 8.314 8.300 0.046 0.000 0.480 118 P HA 0.178 4.635 4.420 0.062 0.000 0.275 118 P C -2.321 175.039 177.300 0.099 0.000 1.227 118 P CA -1.739 61.420 63.100 0.098 0.000 0.781 118 P CB -0.224 31.523 31.700 0.079 0.000 0.906 119 P HA 0.059 4.522 4.420 0.073 0.000 0.271 119 P C -1.322 176.010 177.300 0.054 0.000 1.380 119 P CA -0.236 62.901 63.100 0.061 0.000 0.992 119 P CB -0.483 31.242 31.700 0.042 0.000 1.230 120 S N 4.915 120.650 115.700 0.059 0.000 2.747 120 S HA 0.309 4.995 4.470 0.044 -0.190 0.300 120 S C -0.932 173.705 174.600 0.061 0.000 1.121 120 S CA -1.626 56.604 58.200 0.051 0.000 0.995 120 S CB 2.520 65.747 63.200 0.045 0.000 1.113 120 S HN -0.592 7.758 8.310 0.066 0.000 0.547 121 A N 0.120 122.973 122.820 0.055 0.000 2.353 121 A HA 0.228 4.620 4.320 0.120 0.000 0.299 121 A C -1.754 175.861 177.584 0.052 0.000 1.089 121 A CA -0.770 51.314 52.037 0.078 0.000 0.736 121 A CB 2.313 21.352 19.000 0.066 0.000 1.195 121 A HN 0.140 8.315 8.150 0.042 0.000 0.447 122 T N 4.476 119.069 114.554 0.066 0.000 2.791 122 T HA 0.947 5.561 4.350 0.007 -0.260 0.288 122 T C -1.320 173.404 174.700 0.039 0.000 0.999 122 T CA -1.877 60.244 62.100 0.034 0.000 0.952 122 T CB 1.222 70.115 68.868 0.041 0.000 0.938 122 T HN 0.235 8.535 8.240 0.099 0.000 0.444 123 L N 5.880 127.092 121.223 -0.018 0.000 2.342 123 L HA 0.927 5.501 4.340 0.067 -0.194 0.271 123 L C -2.327 174.546 176.870 0.005 0.000 1.008 123 L CA -2.041 52.804 54.840 0.008 0.000 0.818 123 L CB 4.086 46.110 42.059 -0.059 0.000 1.296 123 L HN 0.768 8.945 8.230 -0.087 0.000 0.427 124 H N 4.500 123.569 119.070 -0.000 0.000 2.495 124 H HA 0.893 5.609 4.556 -0.020 -0.172 0.348 124 H C -1.581 173.770 175.328 0.039 0.000 1.113 124 H CA -1.365 54.683 56.048 0.001 0.000 1.195 124 H CB 3.764 33.525 29.762 -0.002 0.000 1.521 124 H HN -0.121 8.262 8.280 0.171 0.000 0.509 125 L N 4.911 126.109 121.223 -0.042 0.000 2.289 125 L HA 0.741 5.468 4.340 0.201 -0.266 0.285 125 L C -0.644 176.289 176.870 0.104 0.000 1.049 125 L CA -2.245 52.649 54.840 0.090 0.000 0.804 125 L CB 1.619 43.711 42.059 0.054 0.000 1.195 125 L HN 0.254 8.145 8.230 -0.394 0.102 0.428 126 S N 2.529 118.322 115.700 0.155 0.000 2.632 126 S HA 0.036 4.606 4.470 0.167 0.000 0.271 126 S C -0.216 174.515 174.600 0.218 0.000 1.260 126 S CA -0.672 57.632 58.200 0.173 0.000 1.010 126 S CB 1.875 65.158 63.200 0.138 0.000 0.965 126 S HN 0.578 8.935 8.310 0.167 0.052 0.534 127 N N 2.979 121.819 118.700 0.232 0.000 1.763 127 N HA -0.359 4.407 4.740 0.044 0.000 0.337 127 N C -0.636 174.984 175.510 0.184 0.000 1.240 127 N CA 2.296 55.418 53.050 0.120 0.000 0.785 127 N CB 0.530 38.899 38.487 -0.196 0.000 1.003 127 N HN -0.285 8.226 8.380 0.219 0.000 0.508 128 I N 4.490 125.115 120.570 0.093 0.000 2.498 128 I HA 0.153 4.406 4.170 0.138 0.000 0.301 128 I C -1.875 174.275 176.117 0.056 0.000 0.984 128 I CA -2.634 58.728 61.300 0.104 0.000 1.204 128 I CB 1.181 39.249 38.000 0.113 0.000 1.362 128 I HN 0.301 8.546 8.210 0.057 0.000 0.471 129 P HA 0.233 4.681 4.420 0.048 0.000 0.272 129 P C -2.003 175.307 177.300 0.016 0.000 1.223 129 P CA -1.979 61.148 63.100 0.045 0.000 0.784 129 P CB -0.439 31.293 31.700 0.054 0.000 0.923 130 P HA 0.102 4.527 4.420 0.008 0.000 0.249 130 P C -1.538 175.763 177.300 0.002 0.000 1.737 130 P CA 0.671 63.775 63.100 0.007 0.000 1.128 130 P CB -1.484 30.220 31.700 0.007 0.000 1.942 131 S N 0.856 116.553 115.700 -0.006 0.000 1.687 131 S HA -0.051 4.413 4.470 -0.011 0.000 0.152 131 S C -0.934 173.650 174.600 -0.027 0.000 0.619 131 S CA 0.979 59.169 58.200 -0.017 0.000 1.520 131 S CB 1.194 64.379 63.200 -0.026 0.000 0.855 131 S HN 0.286 8.567 8.310 -0.002 0.028 0.296 132 V N 4.644 124.538 119.914 -0.034 0.000 2.394 132 V HA 0.082 4.178 4.120 -0.039 0.000 0.282 132 V C -0.078 176.016 176.094 0.001 0.000 1.031 132 V CA -0.470 61.810 62.300 -0.033 0.000 0.881 132 V CB 0.982 32.767 31.823 -0.064 0.000 0.982 132 V HN -0.722 7.448 8.190 -0.033 0.000 0.451 133 S N 6.877 122.575 115.700 -0.003 0.000 2.655 133 S HA 0.123 4.614 4.470 0.035 0.000 0.265 133 S C 0.598 175.210 174.600 0.020 0.000 1.240 133 S CA -0.684 57.525 58.200 0.013 0.000 0.986 133 S CB 1.283 64.477 63.200 -0.010 0.000 0.985 133 S HN 0.071 8.370 8.310 -0.018 0.000 0.562 134 E N 1.398 121.613 120.200 0.025 0.000 2.204 134 E HA -0.303 4.126 4.350 0.132 0.000 0.194 134 E C 2.272 178.756 176.600 -0.192 0.000 0.989 134 E CA 3.174 59.553 56.400 -0.036 0.000 0.824 134 E CB -0.197 29.404 29.700 -0.166 0.000 0.756 134 E HN 0.684 9.064 8.360 0.034 0.000 0.477 135 E N -0.865 119.236 120.200 -0.165 0.000 2.110 135 E HA -0.309 3.866 4.350 -0.291 0.000 0.193 135 E C 2.043 178.548 176.600 -0.159 0.000 0.988 135 E CA 3.351 59.634 56.400 -0.195 0.000 0.804 135 E CB -0.533 29.092 29.700 -0.125 0.000 0.745 135 E HN 0.382 8.655 8.360 -0.108 0.023 0.458 136 D N -0.001 120.337 120.400 -0.104 0.000 2.097 136 D HA -0.261 4.323 4.640 -0.092 0.000 0.195 136 D C 2.438 178.673 176.300 -0.108 0.000 0.989 136 D CA 3.403 57.350 54.000 -0.089 0.000 0.827 136 D CB -0.275 40.490 40.800 -0.059 0.000 0.966 136 D HN -0.676 7.633 8.370 -0.081 0.013 0.456 137 L N -0.356 120.820 121.223 -0.079 0.000 2.044 137 L HA -0.326 3.894 4.340 -0.200 0.000 0.205 137 L C 1.420 178.217 176.870 -0.121 0.000 1.075 137 L CA 3.554 58.329 54.840 -0.108 0.000 0.747 137 L CB 0.135 42.246 42.059 0.087 0.000 0.903 137 L HN -0.756 7.448 8.230 -0.042 0.000 0.435 138 K N -0.295 120.030 120.400 -0.126 0.000 2.063 138 K HA -0.398 3.913 4.320 -0.016 0.000 0.208 138 K C 2.563 179.059 176.600 -0.172 0.000 1.048 138 K CA 3.650 59.793 56.287 -0.241 0.000 0.928 138 K CB -0.145 31.896 32.500 -0.765 0.000 0.713 138 K HN 0.047 8.193 8.250 -0.174 0.000 0.442 139 V N -0.613 119.191 119.914 -0.184 0.000 2.427 139 V HA -0.355 3.688 4.120 -0.128 0.000 0.248 139 V C 1.888 177.915 176.094 -0.111 0.000 1.051 139 V CA 3.646 65.865 62.300 -0.134 0.000 1.048 139 V CB -0.194 31.554 31.823 -0.125 0.000 0.666 139 V HN -0.227 7.836 8.190 -0.199 0.008 0.456 140 L N -0.314 120.809 121.223 -0.167 0.000 2.017 140 L HA -0.485 3.758 4.340 -0.163 0.000 0.208 140 L C 2.263 179.024 176.870 -0.182 0.000 1.073 140 L CA 3.404 58.111 54.840 -0.223 0.000 0.745 140 L CB -0.453 41.384 42.059 -0.371 0.000 0.894 140 L HN -0.672 7.361 8.230 -0.186 0.085 0.432 141 F N -3.415 116.480 119.950 -0.092 0.000 2.236 141 F HA -0.424 4.069 4.527 -0.057 0.000 0.302 141 F C 2.158 177.922 175.800 -0.060 0.000 1.073 141 F CA 3.241 61.201 58.000 -0.066 0.000 1.336 141 F CB -0.976 37.991 39.000 -0.055 0.000 1.040 141 F HN 0.233 8.389 8.300 -0.241 0.000 0.507 142 S N -0.999 114.761 115.700 0.101 0.000 2.315 142 S HA -0.162 4.341 4.470 0.054 0.000 0.211 142 S C 2.522 177.129 174.600 0.013 0.000 1.029 142 S CA 3.458 61.681 58.200 0.039 0.000 0.956 142 S CB -0.084 63.112 63.200 -0.008 0.000 0.918 142 S HN -0.798 7.408 8.310 0.058 0.139 0.470 143 S N 1.177 116.867 115.700 -0.016 0.000 2.387 143 S HA -0.130 4.331 4.470 -0.015 0.000 0.226 143 S C 1.023 175.607 174.600 -0.026 0.000 1.026 143 S CA 2.949 61.135 58.200 -0.023 0.000 0.972 143 S CB -0.095 63.083 63.200 -0.038 0.000 0.814 143 S HN -0.109 8.183 8.310 -0.031 0.000 0.477 144 N N -1.446 117.227 118.700 -0.045 0.000 2.432 144 N HA 0.020 4.733 4.740 -0.044 0.000 0.174 144 N C 1.026 176.518 175.510 -0.029 0.000 1.037 144 N CA 1.591 54.607 53.050 -0.058 0.000 0.892 144 N CB 1.465 39.882 38.487 -0.117 0.000 1.049 144 N HN -0.002 8.237 8.380 -0.058 0.106 0.442 145 G N -1.892 106.918 108.800 0.017 0.000 2.424 145 G HA2 -0.050 4.172 3.960 0.268 0.000 0.214 145 G HA3 -0.050 4.071 3.960 0.113 -0.093 0.214 145 G C -1.055 173.895 174.900 0.084 0.000 1.202 145 G CA 1.176 46.351 45.100 0.125 0.000 0.793 145 G HN 0.287 8.394 8.290 0.011 0.189 0.534 146 G N -1.213 107.626 108.800 0.065 0.000 2.340 146 G HA2 -0.146 3.837 3.960 0.039 0.000 0.106 146 G HA3 -0.146 3.829 3.960 0.025 0.000 0.106 146 G C -1.659 173.263 174.900 0.037 0.000 2.445 146 G CA -0.164 44.960 45.100 0.040 0.000 1.363 146 G HN -0.382 7.950 8.290 0.070 0.000 0.412 147 V N 4.298 124.237 119.914 0.041 0.000 2.349 147 V HA 0.264 4.400 4.120 0.027 0.000 0.284 147 V C -2.054 174.060 176.094 0.034 0.000 1.014 147 V CA -1.416 60.903 62.300 0.032 0.000 0.826 147 V CB 0.455 32.293 31.823 0.025 0.000 1.009 147 V HN 0.092 8.311 8.190 0.048 0.000 0.431 148 V N 7.667 127.601 119.914 0.034 0.000 2.318 148 V HA 0.041 4.273 4.120 0.017 -0.101 0.271 148 V C -0.431 175.684 176.094 0.034 0.000 1.030 148 V CA -0.502 61.817 62.300 0.031 0.000 0.844 148 V CB -0.042 31.803 31.823 0.037 0.000 1.015 148 V HN 0.381 8.591 8.190 0.032 0.000 0.460 149 K N 7.699 128.118 120.400 0.033 0.000 2.365 149 K HA -0.039 4.302 4.320 0.035 0.000 0.197 149 K C -0.092 176.542 176.600 0.057 0.000 1.042 149 K CA 0.278 56.588 56.287 0.038 0.000 0.987 149 K CB 0.973 33.492 32.500 0.030 0.000 0.779 149 K HN 0.839 9.003 8.250 0.023 0.100 0.484 150 G N -2.663 106.187 108.800 0.083 0.000 2.368 150 G HA2 -0.119 3.893 3.960 0.086 0.000 0.303 150 G HA3 -0.119 3.962 3.960 0.201 0.000 0.303 150 G C -3.345 171.672 174.900 0.195 0.000 1.590 150 G CA -0.046 45.137 45.100 0.139 0.000 0.938 150 G HN -0.729 7.561 8.290 0.070 0.043 0.675 151 F N -0.619 119.299 119.950 -0.053 0.000 2.561 151 F HA 0.895 5.494 4.527 -0.055 -0.105 0.313 151 F C -2.347 173.418 175.800 -0.058 0.000 1.126 151 F CA -2.722 55.246 58.000 -0.053 0.000 0.918 151 F CB 3.435 42.398 39.000 -0.062 0.000 1.199 151 F HN -0.047 8.502 8.300 0.414 0.000 0.444 152 K N 3.997 124.150 120.400 -0.411 0.000 2.394 152 K HA 0.388 4.220 4.320 -0.813 0.000 0.260 152 K C -1.837 174.083 176.600 -1.133 0.000 0.967 152 K CA -1.052 54.812 56.287 -0.705 0.000 0.855 152 K CB 2.049 34.400 32.500 -0.248 0.000 1.101 152 K HN 0.828 8.976 8.250 -0.169 0.000 0.433 153 F N 3.976 123.212 119.950 -1.191 0.000 2.410 153 F HA 0.447 4.405 4.527 -0.947 0.000 0.349 153 F C -0.456 174.880 175.800 -0.774 0.000 1.117 153 F CA -0.326 57.125 58.000 -0.914 0.000 1.104 153 F CB 1.027 39.839 39.000 -0.314 0.000 1.122 153 F HN 0.229 8.171 8.300 -0.596 0.000 0.483 154 F N 0.768 120.728 119.950 0.017 0.000 3.559 154 F HA 0.318 4.875 4.527 0.050 0.000 0.329 154 F C -2.124 173.685 175.800 0.015 0.000 1.128 154 F CA -1.647 56.370 58.000 0.028 0.000 0.859 154 F CB 0.475 39.484 39.000 0.016 0.000 1.590 154 F HN -0.315 7.774 8.300 -0.353 0.000 0.504 155 Q N -0.871 119.121 119.800 0.320 0.000 2.472 155 Q HA -0.310 4.186 4.340 0.147 -0.069 0.208 155 Q C 1.319 177.372 176.000 0.088 0.000 0.958 155 Q CA 1.246 57.139 55.803 0.150 0.000 0.932 155 Q CB 0.021 28.799 28.738 0.066 0.000 1.007 155 Q HN 0.122 8.559 8.270 0.278 0.000 0.508 156 K N 2.109 122.508 120.400 -0.001 0.000 2.405 156 K HA -0.465 3.655 4.320 -0.335 0.000 0.227 156 K C 1.536 178.097 176.600 -0.066 0.000 0.726 156 K CA 2.745 58.923 56.287 -0.181 0.000 0.914 156 K CB -0.809 31.597 32.500 -0.157 0.000 0.433 156 K HN -0.040 8.136 8.250 -0.018 0.063 0.930 157 D N -0.206 120.166 120.400 -0.046 0.000 2.977 157 D HA -0.063 4.476 4.640 -0.168 0.000 0.241 157 D C -0.585 175.705 176.300 -0.017 0.000 1.206 157 D CA 0.160 54.071 54.000 -0.147 0.000 0.902 157 D CB -1.227 39.320 40.800 -0.423 0.000 1.131 157 D HN 0.151 8.586 8.370 0.108 0.000 0.447 158 R N -0.533 119.974 120.500 0.012 0.000 2.080 158 R HA -0.335 4.027 4.340 0.026 -0.007 0.362 158 R C -1.339 174.997 176.300 0.061 0.000 1.156 158 R CA 1.192 57.309 56.100 0.029 0.000 0.964 158 R CB -1.287 29.020 30.300 0.011 0.000 2.865 158 R HN 0.290 8.381 8.270 -0.001 0.179 0.490 159 K N -3.703 116.741 120.400 0.073 0.000 3.048 159 K HA -0.373 3.991 4.320 0.073 0.000 0.274 159 K C -1.397 175.245 176.600 0.070 0.000 1.098 159 K CA 1.373 57.700 56.287 0.067 0.000 0.807 159 K CB -1.187 31.335 32.500 0.038 0.000 1.217 159 K HN 0.312 8.607 8.250 0.074 0.000 0.477 160 M N -4.398 115.285 119.600 0.138 0.000 2.762 160 M HA 0.386 5.049 4.480 0.068 -0.142 0.306 160 M C -1.231 175.172 176.300 0.172 0.000 1.223 160 M CA -2.078 53.341 55.300 0.199 0.000 0.896 160 M CB 3.973 36.762 32.600 0.315 0.000 1.684 160 M HN -0.863 7.475 8.290 0.169 0.053 0.491 161 A N -2.141 120.426 122.820 -0.421 0.000 2.594 161 A HA 0.425 4.470 4.320 -0.458 0.000 0.291 161 A C -2.926 173.604 177.584 -1.757 0.000 1.105 161 A CA -1.325 50.089 52.037 -1.038 0.000 0.694 161 A CB 3.269 21.141 19.000 -1.880 0.000 1.291 161 A HN -0.117 7.797 8.150 -0.393 0.000 0.410 162 L N -0.884 119.813 121.223 -0.878 0.000 2.370 162 L HA 1.050 5.290 4.340 -0.540 -0.224 0.266 162 L C -2.084 174.707 176.870 -0.132 0.000 1.002 162 L CA -2.169 52.426 54.840 -0.408 0.000 0.818 162 L CB 4.670 46.822 42.059 0.156 0.000 1.325 162 L HN 0.112 7.942 8.230 -0.666 0.000 0.418 163 I N 1.194 121.701 120.570 -0.106 0.000 2.545 163 I HA 0.409 4.699 4.170 0.044 -0.094 0.292 163 I C -1.754 174.321 176.117 -0.070 0.000 1.040 163 I CA -1.404 59.857 61.300 -0.065 0.000 1.068 163 I CB 3.006 40.857 38.000 -0.248 0.000 1.251 163 I HN 1.116 9.129 8.210 -0.137 0.116 0.424 164 Q N 5.138 124.930 119.800 -0.013 0.000 2.257 164 Q HA 0.535 5.024 4.340 -0.002 -0.150 0.255 164 Q C -0.680 175.312 176.000 -0.013 0.000 0.920 164 Q CA -0.246 55.555 55.803 -0.002 0.000 0.927 164 Q CB 2.372 31.125 28.738 0.024 0.000 1.229 164 Q HN 1.111 9.281 8.270 0.025 0.114 0.433 165 M N 4.895 124.491 119.600 -0.007 0.000 2.037 165 M HA 0.457 5.076 4.480 0.007 -0.135 0.255 165 M C -0.047 176.265 176.300 0.020 0.000 0.914 165 M CA -1.031 54.270 55.300 0.002 0.000 0.986 165 M CB 1.232 33.825 32.600 -0.012 0.000 1.947 165 M HN 0.889 9.063 8.290 0.003 0.117 0.419 166 G N 2.123 110.937 108.800 0.023 0.000 2.833 166 G HA2 -0.427 3.548 3.960 0.025 0.000 0.226 166 G HA3 -0.427 3.551 3.960 0.030 0.000 0.226 166 G C 0.361 175.277 174.900 0.027 0.000 1.228 166 G CA 1.750 46.866 45.100 0.027 0.000 0.779 166 G HN 0.329 8.633 8.290 0.022 0.000 0.651 167 S N 2.998 118.712 115.700 0.023 0.000 2.589 167 S HA -0.224 4.256 4.470 0.017 0.000 0.306 167 S C 0.591 175.203 174.600 0.020 0.000 1.221 167 S CA 0.472 58.684 58.200 0.019 0.000 1.159 167 S CB -0.111 63.099 63.200 0.017 0.000 0.990 167 S HN -0.243 8.080 8.310 0.022 0.000 0.514 168 V N 8.153 128.077 119.914 0.017 0.000 2.343 168 V HA -0.431 3.711 4.120 0.037 0.000 0.247 168 V C 1.568 177.652 176.094 -0.017 0.000 1.051 168 V CA 3.526 65.834 62.300 0.013 0.000 1.036 168 V CB -0.291 31.537 31.823 0.008 0.000 0.654 168 V HN 0.301 8.502 8.190 0.017 0.000 0.451 169 E N -2.034 118.150 120.200 -0.028 0.000 2.171 169 E HA -0.374 3.932 4.350 -0.074 0.000 0.197 169 E C 2.653 179.246 176.600 -0.011 0.000 0.997 169 E CA 3.399 59.776 56.400 -0.039 0.000 0.810 169 E CB -0.748 28.935 29.700 -0.028 0.000 0.738 169 E HN 0.508 8.857 8.360 -0.019 0.000 0.467 170 E N -1.457 118.750 120.200 0.010 0.000 2.106 170 E HA -0.250 4.169 4.350 0.030 -0.051 0.192 170 E C 1.626 178.267 176.600 0.069 0.000 0.984 170 E CA 2.924 59.345 56.400 0.035 0.000 0.806 170 E CB -0.481 29.241 29.700 0.036 0.000 0.750 170 E HN -0.675 7.562 8.360 0.009 0.129 0.458 171 A N -0.793 122.065 122.820 0.063 0.000 1.883 171 A HA -0.292 4.093 4.320 0.109 0.000 0.217 171 A C 1.919 179.591 177.584 0.146 0.000 1.186 171 A CA 3.036 55.134 52.037 0.101 0.000 0.624 171 A CB -0.733 18.318 19.000 0.085 0.000 0.822 171 A HN -0.601 7.475 8.150 0.041 0.099 0.444 172 V N -1.985 117.973 119.914 0.073 0.000 2.427 172 V HA -0.475 3.719 4.120 0.124 0.000 0.248 172 V C 1.871 178.003 176.094 0.063 0.000 1.051 172 V CA 2.808 65.143 62.300 0.058 0.000 1.048 172 V CB -0.993 30.786 31.823 -0.073 0.000 0.666 172 V HN -0.622 7.580 8.190 0.020 0.000 0.456 173 Q N 0.189 120.015 119.800 0.044 0.000 2.197 173 Q HA -0.444 3.902 4.340 0.010 0.000 0.207 173 Q C 2.027 178.040 176.000 0.022 0.000 0.984 173 Q CA 3.401 59.220 55.803 0.027 0.000 0.869 173 Q CB -0.241 28.511 28.738 0.023 0.000 0.906 173 Q HN -0.479 7.718 8.270 0.036 0.094 0.426 174 A N -0.747 122.122 122.820 0.083 0.000 1.908 174 A HA -0.302 3.950 4.320 -0.112 0.000 0.218 174 A C 1.953 179.438 177.584 -0.164 0.000 1.181 174 A CA 3.130 55.159 52.037 -0.013 0.000 0.627 174 A CB -0.805 18.415 19.000 0.366 0.000 0.818 174 A HN -0.345 7.782 8.150 0.152 0.114 0.445 175 L N -0.619 120.604 121.223 -0.001 0.000 1.989 175 L HA -0.342 3.964 4.340 -0.057 0.000 0.211 175 L C 2.065 178.915 176.870 -0.033 0.000 1.071 175 L CA 3.347 58.186 54.840 -0.002 0.000 0.749 175 L CB 0.147 42.284 42.059 0.130 0.000 0.890 175 L HN -0.647 7.567 8.230 0.116 0.085 0.431 176 I N -1.826 118.741 120.570 -0.005 0.000 2.233 176 I HA -0.483 3.706 4.170 0.032 0.000 0.243 176 I C 2.081 178.181 176.117 -0.029 0.000 1.093 176 I CA 1.686 62.988 61.300 0.004 0.000 1.380 176 I CB -1.466 36.539 38.000 0.008 0.000 1.067 176 I HN -0.749 7.468 8.210 0.011 0.000 0.413 177 D N -0.791 119.569 120.400 -0.066 0.000 2.103 177 D HA -0.198 4.418 4.640 -0.040 0.000 0.199 177 D C 3.314 179.526 176.300 -0.148 0.000 0.978 177 D CA 3.678 57.630 54.000 -0.079 0.000 0.829 177 D CB 0.031 40.786 40.800 -0.074 0.000 0.981 177 D HN 0.365 8.578 8.370 -0.059 0.122 0.464 178 L N -2.918 118.114 121.223 -0.318 0.000 2.046 178 L HA -0.239 3.900 4.340 -0.336 0.000 0.208 178 L C 0.989 177.680 176.870 -0.298 0.000 1.077 178 L CA 2.814 57.358 54.840 -0.494 0.000 0.747 178 L CB -0.092 41.350 42.059 -1.028 0.000 0.896 178 L HN 0.217 8.105 8.230 -0.335 0.141 0.432 179 H N -6.338 112.716 119.070 -0.027 0.000 2.490 179 H HA 0.140 4.729 4.556 0.055 0.000 0.285 179 H C -0.824 174.530 175.328 0.042 0.000 1.127 179 H CA -1.550 54.518 56.048 0.033 0.000 0.993 179 H CB -0.546 29.245 29.762 0.048 0.000 1.653 179 H HN -0.695 7.337 8.280 -0.414 0.000 0.557 180 N N -0.220 118.545 118.700 0.108 0.000 2.149 180 N HA -0.319 4.499 4.740 0.060 -0.042 0.188 180 N C -0.113 175.468 175.510 0.117 0.000 1.019 180 N CA 2.711 55.812 53.050 0.086 0.000 0.857 180 N CB 0.791 39.315 38.487 0.062 0.000 0.997 180 N HN -0.735 7.521 8.380 0.056 0.157 0.426 181 H N -0.050 119.055 119.070 0.059 0.000 2.685 181 H HA 0.162 4.741 4.556 0.038 0.000 0.307 181 H C -0.966 174.407 175.328 0.075 0.000 1.017 181 H CA -1.082 54.996 56.048 0.051 0.000 1.237 181 H CB 0.934 30.717 29.762 0.036 0.000 1.409 181 H HN -0.209 8.204 8.280 0.236 0.008 0.488 182 D N 5.201 125.604 120.400 0.005 0.000 2.624 182 D HA 0.148 4.913 4.640 0.207 0.000 0.257 182 D C -0.720 175.576 176.300 -0.006 0.000 1.167 182 D CA -0.887 53.153 54.000 0.066 0.000 1.086 182 D CB 1.284 42.071 40.800 -0.021 0.000 1.210 182 D HN 0.043 8.321 8.370 -0.154 0.000 0.631 183 L N -7.218 113.977 121.223 -0.047 0.000 2.854 183 L HA 0.436 4.762 4.340 -0.022 0.000 0.249 183 L C -0.486 176.335 176.870 -0.081 0.000 1.091 183 L CA 0.214 55.032 54.840 -0.037 0.000 0.935 183 L CB 1.511 43.578 42.059 0.013 0.000 1.367 183 L HN -0.130 8.026 8.230 -0.123 0.000 0.524 184 G N 0.310 109.030 108.800 -0.133 0.000 3.620 184 G HA2 -0.170 3.738 3.960 -0.086 0.000 0.112 184 G HA3 -0.170 3.731 3.960 -0.098 0.000 0.112 184 G C -0.126 174.682 174.900 -0.153 0.000 2.274 184 G CA 0.220 45.251 45.100 -0.114 0.000 1.052 184 G HN -0.388 7.786 8.290 -0.193 0.000 0.298 185 E N 3.009 123.112 120.200 -0.162 0.000 2.219 185 E HA -0.291 3.992 4.350 -0.113 0.000 0.198 185 E C 0.181 176.620 176.600 -0.268 0.000 0.998 185 E CA 0.636 56.936 56.400 -0.165 0.000 0.818 185 E CB -0.377 29.249 29.700 -0.124 0.000 0.741 185 E HN 0.133 8.413 8.360 -0.134 0.000 0.477 186 N N -4.727 113.683 118.700 -0.483 0.000 2.828 186 N HA -0.289 4.019 4.740 -0.719 0.000 0.248 186 N C -2.053 173.074 175.510 -0.637 0.000 1.044 186 N CA 0.468 53.156 53.050 -0.605 0.000 0.851 186 N CB -0.225 38.114 38.487 -0.246 0.000 1.136 186 N HN 0.252 8.299 8.380 -0.489 0.039 0.572 187 H N -7.172 111.868 119.070 -0.050 0.000 1.456 187 H HA -0.298 4.268 4.556 0.016 0.000 0.090 187 H C -1.076 174.257 175.328 0.009 0.000 1.131 187 H CA 0.584 56.623 56.048 -0.015 0.000 1.900 187 H CB -0.941 28.790 29.762 -0.051 0.000 2.256 187 H HN -0.446 7.420 8.280 -0.574 0.069 0.960 188 H N 0.380 119.515 119.070 0.108 0.000 2.586 188 H HA -0.002 4.573 4.556 0.031 0.000 0.273 188 H C -1.228 174.130 175.328 0.050 0.000 0.997 188 H CA 0.160 56.240 56.048 0.052 0.000 1.177 188 H CB 0.802 30.593 29.762 0.048 0.000 1.471 188 H HN 0.019 8.490 8.280 0.318 0.000 0.538 189 L N -3.761 117.569 121.223 0.180 0.000 2.369 189 L HA 0.264 5.194 4.340 0.207 -0.466 0.279 189 L C -0.871 176.050 176.870 0.085 0.000 1.108 189 L CA -0.312 54.614 54.840 0.144 0.000 0.852 189 L CB -0.169 41.944 42.059 0.089 0.000 1.169 189 L HN -0.557 7.726 8.230 0.182 0.056 0.452 190 R N 2.503 123.073 120.500 0.117 0.000 2.514 190 R HA 0.198 4.590 4.340 0.087 0.000 0.301 190 R C -1.858 174.561 176.300 0.199 0.000 0.962 190 R CA -1.642 54.523 56.100 0.109 0.000 0.882 190 R CB 3.252 33.577 30.300 0.042 0.000 1.143 190 R HN 0.112 8.553 8.270 0.147 -0.083 0.452 191 V N 6.173 126.234 119.914 0.246 0.000 2.378 191 V HA 0.348 4.809 4.120 0.325 -0.146 0.288 191 V C -1.096 175.142 176.094 0.241 0.000 1.016 191 V CA -1.567 60.920 62.300 0.311 0.000 0.840 191 V CB 1.424 33.490 31.823 0.406 0.000 0.994 191 V HN 0.321 8.646 8.190 0.225 0.000 0.431 192 S N 7.622 123.441 115.700 0.198 0.000 2.526 192 S HA 0.351 4.940 4.470 0.199 0.000 0.293 192 S C -1.560 173.120 174.600 0.134 0.000 1.092 192 S CA -1.401 56.885 58.200 0.144 0.000 0.980 192 S CB 2.582 65.804 63.200 0.036 0.000 1.048 192 S HN -0.245 8.182 8.310 0.196 0.000 0.483 193 F N 1.455 121.446 119.950 0.069 0.000 2.424 193 F HA 0.126 4.677 4.527 0.040 0.000 0.356 193 F C -1.499 174.322 175.800 0.035 0.000 1.110 193 F CA -0.733 57.295 58.000 0.047 0.000 1.161 193 F CB 0.554 39.581 39.000 0.043 0.000 1.115 193 F HN 0.266 8.823 8.300 0.428 0.000 0.507 194 S N 4.366 119.984 115.700 -0.137 0.000 2.536 194 S HA 0.241 4.437 4.470 -0.456 0.000 0.298 194 S C -1.691 172.890 174.600 -0.031 0.000 1.083 194 S CA -1.403 56.667 58.200 -0.217 0.000 0.995 194 S CB 3.246 66.371 63.200 -0.125 0.000 1.058 194 S HN 0.877 9.081 8.310 0.035 0.127 0.488 195 K N 6.823 127.201 120.400 -0.038 0.000 2.281 195 K HA 0.256 4.608 4.320 0.054 0.000 0.272 195 K C -1.049 175.531 176.600 -0.033 0.000 1.048 195 K CA -0.224 56.074 56.287 0.018 0.000 0.898 195 K CB 0.788 33.320 32.500 0.053 0.000 1.128 195 K HN 0.300 8.486 8.250 -0.106 0.000 0.460 196 S N 6.527 122.208 115.700 -0.032 0.000 2.301 196 S HA 0.228 4.653 4.470 -0.074 0.000 0.245 196 S C -0.171 174.364 174.600 -0.107 0.000 1.191 196 S CA -0.522 57.640 58.200 -0.062 0.000 1.032 196 S CB 0.525 63.704 63.200 -0.035 0.000 1.104 196 S HN -0.067 8.238 8.310 -0.007 0.000 0.453 197 T N 1.723 116.206 114.554 -0.119 0.000 2.860 197 T HA 0.054 4.224 4.350 -0.300 0.000 0.299 197 T C -0.381 174.219 174.700 -0.166 0.000 1.045 197 T CA 0.712 62.694 62.100 -0.197 0.000 1.071 197 T CB 0.186 68.969 68.868 -0.142 0.000 0.985 197 T HN 0.028 8.216 8.240 -0.086 0.000 0.537 198 I N 0.000 120.412 120.570 -0.263 0.000 2.984 198 I HA 0.000 4.270 4.170 0.167 0.000 0.288 198 I CA 0.000 61.291 61.300 -0.014 0.000 1.566 198 I CB 0.000 38.022 38.000 0.036 0.000 1.214 198 I HN 0.000 7.890 8.210 -0.534 0.000 0.494