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 3nk4_1_B DATA FIRST_RESID 52 DATA SEQUENCE TPVAVQcQEA QLVVTVHRDL FGTGRLINAA DLTLGPAAcK HSSLNAAHNT DATA SEQUENCE VTFAAGLHEc GSVVQVTPDT LIYRTLINYD PSPASNPVII RTNPAVIPIE DATA SEQUENCE cHYPRRXXXX XXXXXXXXXX XXXXXXXXXX LVFSLRLMSD DWSTERPFTG DATA SEQUENCE FQLGDILNIQ AEVSTENHVP LRLFVDScVA ALSPDGDSSP HYAIIDFNGc DATA SEQUENCE LVDGRVDDTS SAFITPRPRE DVLRFRIDVF RFAGDNRNLI YITcHLKVTP DATA SEQUENCE ADQGPDPQNK AcSFNKARNT WVPVEGSRDV cNccETGNcE PP 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 52 T HA 0.000 4.326 4.350 -0.040 0.000 0.228 52 T C 0.000 174.667 174.700 -0.055 0.000 1.109 52 T CA 0.000 62.077 62.100 -0.038 0.000 1.349 52 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 53 P HA 0.345 4.730 4.420 -0.059 0.000 0.268 53 P C -2.314 175.048 177.300 0.104 0.000 1.329 53 P CA 0.077 63.171 63.100 -0.010 0.000 0.899 53 P CB 1.033 32.685 31.700 -0.079 0.000 1.378 54 V N 0.190 120.140 119.914 0.060 0.000 2.569 54 V HA 0.460 4.800 4.120 0.074 -0.175 0.301 54 V C -1.652 174.471 176.094 0.049 0.000 1.044 54 V CA -1.179 61.154 62.300 0.056 0.000 0.874 54 V CB 3.020 34.857 31.823 0.022 0.000 1.002 54 V HN -0.625 7.533 8.190 0.035 0.053 0.424 55 A N 9.102 131.954 122.820 0.054 0.000 2.303 55 A HA 0.567 4.905 4.320 0.030 0.000 0.320 55 A C -2.210 175.392 177.584 0.030 0.000 1.192 55 A CA -1.570 50.489 52.037 0.037 0.000 0.821 55 A CB 2.423 21.445 19.000 0.037 0.000 1.188 55 A HN 0.606 8.791 8.150 0.059 0.000 0.492 56 V N 4.209 124.136 119.914 0.021 0.000 2.409 56 V HA 0.383 4.666 4.120 0.030 -0.145 0.291 56 V C -0.598 175.504 176.094 0.013 0.000 1.020 56 V CA -1.136 61.177 62.300 0.022 0.000 0.848 56 V CB 1.559 33.395 31.823 0.021 0.000 0.990 56 V HN 0.359 8.559 8.190 0.016 0.000 0.430 57 Q N 7.201 127.011 119.800 0.018 0.000 2.347 57 Q HA 0.278 4.620 4.340 0.003 0.000 0.262 57 Q C -1.189 174.824 176.000 0.023 0.000 0.980 57 Q CA -1.380 54.431 55.803 0.013 0.000 0.867 57 Q CB 1.952 30.698 28.738 0.013 0.000 1.242 57 Q HN 0.538 8.823 8.270 0.025 0.000 0.453 58 c N 6.348 124.953 118.600 0.009 0.000 2.168 58 c HA 0.257 4.878 4.570 0.085 0.000 0.333 58 c C -0.156 173.996 174.090 0.102 0.000 1.106 58 c CA -0.379 55.971 56.329 0.036 0.000 1.574 58 c CB -2.383 40.048 42.510 -0.132 0.000 2.055 58 c HN 0.779 9.002 8.230 -0.012 0.000 0.473 59 Q N 4.602 124.481 119.800 0.131 0.000 2.199 59 Q HA 0.093 4.496 4.340 0.106 0.000 0.205 59 Q C -0.034 176.060 176.000 0.156 0.000 1.001 59 Q CA -0.758 55.114 55.803 0.114 0.000 1.019 59 Q CB 1.380 30.149 28.738 0.050 0.000 1.132 59 Q HN -0.032 8.304 8.270 0.110 0.000 0.530 60 E N -0.861 119.386 120.200 0.079 0.000 2.070 60 E HA -0.280 4.120 4.350 0.083 0.000 0.197 60 E C -0.177 176.365 176.600 -0.098 0.000 1.004 60 E CA 2.340 58.759 56.400 0.031 0.000 0.805 60 E CB -0.206 29.503 29.700 0.015 0.000 0.744 60 E HN 0.431 8.826 8.360 0.058 0.000 0.451 61 A N -5.261 117.502 122.820 -0.094 0.000 2.630 61 A HA 0.266 4.430 4.320 -0.259 0.000 0.287 61 A C -2.056 175.441 177.584 -0.144 0.000 1.040 61 A CA -0.216 51.727 52.037 -0.158 0.000 0.971 61 A CB 0.270 19.214 19.000 -0.094 0.000 1.241 61 A HN 0.043 8.163 8.150 -0.051 0.000 0.558 62 Q N -4.186 115.554 119.800 -0.100 0.000 2.511 62 Q HA 0.654 5.031 4.340 -0.113 -0.104 0.289 62 Q C -2.476 173.505 176.000 -0.031 0.000 1.021 62 Q CA -1.751 54.007 55.803 -0.075 0.000 0.785 62 Q CB 3.980 32.699 28.738 -0.031 0.000 1.472 62 Q HN -0.806 7.426 8.270 -0.064 0.000 0.411 63 L N -4.111 117.099 121.223 -0.022 0.000 2.362 63 L HA 0.971 5.499 4.340 0.033 -0.168 0.271 63 L C -1.778 175.113 176.870 0.034 0.000 1.002 63 L CA -1.204 53.646 54.840 0.017 0.000 0.818 63 L CB 3.614 45.683 42.059 0.016 0.000 1.298 63 L HN 0.192 8.401 8.230 -0.035 0.000 0.420 64 V N 1.514 121.453 119.914 0.042 0.000 2.444 64 V HA 0.584 4.931 4.120 0.071 -0.184 0.294 64 V C -1.052 175.081 176.094 0.066 0.000 1.022 64 V CA -1.302 61.030 62.300 0.055 0.000 0.850 64 V CB 2.055 33.898 31.823 0.033 0.000 0.992 64 V HN 0.083 8.295 8.190 0.038 0.000 0.426 65 V N 8.820 128.802 119.914 0.114 0.000 2.384 65 V HA 0.585 4.930 4.120 0.077 -0.179 0.287 65 V C -0.888 175.301 176.094 0.158 0.000 1.020 65 V CA -1.679 60.693 62.300 0.120 0.000 0.850 65 V CB 2.234 34.127 31.823 0.116 0.000 0.987 65 V HN 0.900 9.185 8.190 0.157 0.000 0.436 66 T N 10.082 124.684 114.554 0.081 0.000 2.771 66 T HA 0.489 5.016 4.350 0.039 -0.153 0.281 66 T C -1.212 173.502 174.700 0.023 0.000 0.982 66 T CA -0.244 61.873 62.100 0.029 0.000 0.978 66 T CB 1.153 69.996 68.868 -0.042 0.000 0.930 66 T HN 0.717 8.991 8.240 0.057 0.000 0.447 67 V N 6.611 126.536 119.914 0.018 0.000 2.448 67 V HA 0.439 4.735 4.120 0.041 -0.151 0.295 67 V C -0.969 175.069 176.094 -0.095 0.000 1.025 67 V CA -1.827 60.484 62.300 0.019 0.000 0.859 67 V CB 2.822 34.705 31.823 0.100 0.000 0.988 67 V HN 0.790 8.991 8.190 0.019 0.000 0.431 68 H N 7.742 126.778 119.070 -0.057 0.000 2.767 68 H HA 0.106 4.630 4.556 -0.052 0.000 0.316 68 H C 0.354 175.606 175.328 -0.127 0.000 1.059 68 H CA 1.731 57.734 56.048 -0.076 0.000 1.461 68 H CB 0.295 30.013 29.762 -0.074 0.000 1.475 68 H HN 0.128 8.517 8.280 0.180 0.000 0.531 69 R N 4.515 124.998 120.500 -0.027 0.000 2.193 69 R HA -0.355 3.913 4.340 -0.119 0.000 0.229 69 R C 0.421 176.657 176.300 -0.106 0.000 1.110 69 R CA 3.429 59.481 56.100 -0.080 0.000 0.988 69 R CB 0.160 30.428 30.300 -0.054 0.000 0.871 69 R HN 0.145 8.396 8.270 -0.031 0.000 0.458 70 D N -1.232 119.141 120.400 -0.046 0.000 2.767 70 D HA -0.003 4.595 4.640 -0.071 0.000 0.231 70 D C 0.540 176.733 176.300 -0.177 0.000 1.105 70 D CA -1.614 52.343 54.000 -0.073 0.000 1.024 70 D CB -1.084 39.702 40.800 -0.023 0.000 1.123 70 D HN -0.006 8.363 8.370 0.021 0.013 0.470 71 L N 1.509 122.492 121.223 -0.401 0.000 2.275 71 L HA -0.080 4.060 4.340 -0.439 -0.063 0.215 71 L C -0.088 176.296 176.870 -0.809 0.000 1.119 71 L CA 1.783 56.200 54.840 -0.705 0.000 0.790 71 L CB 0.319 41.700 42.059 -1.130 0.000 0.919 71 L HN -0.448 7.484 8.230 -0.430 0.040 0.443 72 F N -2.964 116.949 119.950 -0.062 0.000 2.654 72 F HA 0.219 4.724 4.527 -0.037 0.000 0.303 72 F C 0.342 176.124 175.800 -0.031 0.000 1.099 72 F CA -1.400 56.575 58.000 -0.041 0.000 1.270 72 F CB -0.174 38.806 39.000 -0.033 0.000 1.024 72 F HN -0.548 7.576 8.300 -0.239 0.032 0.548 73 G N 0.584 109.406 108.800 0.036 0.000 2.258 73 G HA2 -0.422 3.528 3.960 -0.016 0.000 0.274 73 G HA3 -0.422 3.548 3.960 0.017 0.000 0.274 73 G C 0.580 175.507 174.900 0.045 0.000 1.021 73 G CA 1.134 46.246 45.100 0.019 0.000 0.798 73 G HN -0.468 7.795 8.290 -0.039 0.004 0.507 74 T N -3.102 111.497 114.554 0.074 0.000 3.044 74 T HA 0.038 4.418 4.350 0.051 0.000 0.250 74 T C 1.272 175.997 174.700 0.041 0.000 1.081 74 T CA -1.014 61.124 62.100 0.064 0.000 1.040 74 T CB 0.948 69.869 68.868 0.090 0.000 0.962 74 T HN -0.443 7.912 8.240 0.098 -0.056 0.506 75 G N 2.784 111.603 108.800 0.031 0.000 2.241 75 G HA2 -0.444 3.655 3.960 0.010 0.000 0.244 75 G HA3 -0.444 3.527 3.960 0.018 0.000 0.244 75 G C -1.136 173.780 174.900 0.027 0.000 0.998 75 G CA -0.217 44.895 45.100 0.020 0.000 0.621 75 G HN -0.250 8.483 8.290 0.028 -0.427 0.519 76 R N 2.203 122.730 120.500 0.046 0.000 2.316 76 R HA 0.048 4.414 4.340 0.044 0.000 0.314 76 R C -0.474 175.854 176.300 0.047 0.000 1.069 76 R CA -0.177 55.955 56.100 0.054 0.000 0.959 76 R CB 0.500 30.847 30.300 0.078 0.000 0.987 76 R HN -0.505 7.722 8.270 0.059 0.079 0.446 77 L N 5.874 127.117 121.223 0.033 0.000 2.305 77 L HA 0.117 4.607 4.340 -0.010 -0.156 0.281 77 L C 0.788 177.677 176.870 0.031 0.000 1.085 77 L CA -0.847 54.001 54.840 0.013 0.000 0.813 77 L CB 0.257 42.322 42.059 0.010 0.000 1.157 77 L HN 0.314 8.565 8.230 0.035 0.000 0.436 78 I N -1.038 119.528 120.570 -0.007 0.000 2.886 78 I HA 0.188 4.441 4.170 0.139 0.000 0.299 78 I C -0.949 175.219 176.117 0.085 0.000 1.044 78 I CA -0.978 60.354 61.300 0.054 0.000 1.310 78 I CB 1.592 39.514 38.000 -0.130 0.000 1.441 78 I HN 0.240 8.410 8.210 -0.067 0.000 0.578 79 N N 2.823 121.624 118.700 0.167 0.000 2.497 79 N HA 0.004 4.793 4.740 0.082 0.000 0.271 79 N C 1.210 176.797 175.510 0.129 0.000 1.142 79 N CA 0.138 53.264 53.050 0.127 0.000 0.965 79 N CB 0.296 38.866 38.487 0.138 0.000 1.077 79 N HN 0.279 8.806 8.380 0.243 0.000 0.462 80 A N 6.201 129.053 122.820 0.052 0.000 1.917 80 A HA -0.283 4.033 4.320 -0.006 0.000 0.219 80 A C 1.534 179.207 177.584 0.149 0.000 1.182 80 A CA 3.240 55.278 52.037 0.001 0.000 0.633 80 A CB -0.286 18.595 19.000 -0.198 0.000 0.819 80 A HN 0.674 8.837 8.150 0.022 0.000 0.448 81 A N -3.781 119.145 122.820 0.177 0.000 2.172 81 A HA -0.178 4.314 4.320 0.286 0.000 0.216 81 A C 0.411 178.116 177.584 0.202 0.000 1.154 81 A CA 1.615 53.782 52.037 0.217 0.000 0.701 81 A CB -0.866 18.227 19.000 0.155 0.000 0.789 81 A HN 0.325 8.557 8.150 0.138 0.000 0.465 82 D N -2.659 117.873 120.400 0.221 0.000 2.349 82 D HA 0.069 4.792 4.640 0.139 0.000 0.215 82 D C -1.278 175.202 176.300 0.299 0.000 1.016 82 D CA 0.963 55.094 54.000 0.218 0.000 0.870 82 D CB 0.613 41.561 40.800 0.248 0.000 0.917 82 D HN -0.379 7.966 8.370 0.228 0.162 0.524 83 L N -1.868 119.568 121.223 0.356 0.000 2.295 83 L HA 0.688 5.452 4.340 0.323 -0.230 0.285 83 L C -0.677 176.448 176.870 0.425 0.000 1.035 83 L CA -0.815 54.256 54.840 0.386 0.000 0.806 83 L CB 1.893 44.230 42.059 0.463 0.000 1.214 83 L HN -0.674 7.718 8.230 0.350 0.048 0.426 84 T N -1.989 112.660 114.554 0.158 0.000 2.883 84 T HA 0.583 5.259 4.350 0.378 -0.099 0.296 84 T C -2.094 172.416 174.700 -0.318 0.000 1.117 84 T CA -2.507 59.646 62.100 0.088 0.000 1.006 84 T CB 3.410 72.343 68.868 0.108 0.000 1.191 84 T HN 0.234 8.516 8.240 0.071 0.000 0.508 85 L N 2.392 123.445 121.223 -0.283 0.000 2.307 85 L HA 0.531 4.751 4.340 -0.419 -0.131 0.284 85 L C -0.650 176.164 176.870 -0.094 0.000 1.023 85 L CA -1.052 53.596 54.840 -0.319 0.000 0.810 85 L CB 2.637 44.532 42.059 -0.275 0.000 1.231 85 L HN 0.033 8.229 8.230 -0.057 0.000 0.423 86 G N 5.476 114.236 108.800 -0.067 0.000 2.814 86 G HA2 -0.305 3.668 3.960 0.023 0.000 0.677 86 G HA3 -0.305 3.838 3.960 -0.003 -0.186 0.677 86 G C -1.904 173.008 174.900 0.018 0.000 1.429 86 G CA -0.362 44.737 45.100 -0.002 0.000 0.868 86 G HN 0.704 8.941 8.290 -0.089 0.000 0.553 87 P HA -0.124 4.336 4.420 0.067 0.000 0.226 87 P C -1.084 176.206 177.300 -0.017 0.000 1.153 87 P CA 1.067 64.182 63.100 0.024 0.000 0.777 87 P CB 0.302 31.972 31.700 -0.049 0.000 0.794 88 A N -3.800 119.005 122.820 -0.025 0.000 2.206 88 A HA -0.045 4.260 4.320 -0.026 0.000 0.211 88 A C -0.018 177.569 177.584 0.005 0.000 1.158 88 A CA 0.130 52.157 52.037 -0.017 0.000 0.761 88 A CB -0.193 18.797 19.000 -0.017 0.000 0.801 88 A HN -0.721 7.379 8.150 -0.026 0.035 0.473 89 A N -3.406 119.422 122.820 0.013 0.000 2.667 89 A HA -0.362 3.975 4.320 0.028 0.000 0.298 89 A C 0.120 177.737 177.584 0.055 0.000 1.483 89 A CA 0.536 52.592 52.037 0.031 0.000 0.738 89 A CB -2.312 16.707 19.000 0.033 0.000 1.067 89 A HN -0.490 7.494 8.150 0.009 0.171 0.451 90 c N -0.598 118.039 118.600 0.063 0.000 2.662 90 c HA -0.136 4.475 4.570 0.069 0.000 0.420 90 c C 0.620 174.828 174.090 0.196 0.000 1.314 90 c CA 0.197 56.586 56.329 0.099 0.000 1.963 90 c CB 0.641 43.213 42.510 0.102 0.000 2.686 90 c HN 0.067 8.323 8.230 0.044 0.000 0.609 91 K N 3.328 123.804 120.400 0.126 0.000 2.107 91 K HA 0.015 4.455 4.320 0.201 0.000 0.251 91 K C 0.425 177.040 176.600 0.025 0.000 1.012 91 K CA 0.023 56.359 56.287 0.082 0.000 0.920 91 K CB 0.826 33.260 32.500 -0.111 0.000 1.033 91 K HN 0.042 8.330 8.250 0.063 0.000 0.478 92 H N -1.565 117.429 119.070 -0.128 0.000 2.771 92 H HA -0.027 3.863 4.556 -1.110 0.000 0.364 92 H C -0.176 174.968 175.328 -0.305 0.000 1.133 92 H CA -0.022 55.633 56.048 -0.656 0.000 1.423 92 H CB 0.241 29.492 29.762 -0.852 0.000 1.425 92 H HN 0.184 8.285 8.280 -0.297 0.000 0.606 93 S N 1.102 116.703 115.700 -0.164 0.000 2.492 93 S HA 0.048 4.473 4.470 -0.076 0.000 0.218 93 S C 0.140 174.731 174.600 -0.015 0.000 1.016 93 S CA 0.254 58.413 58.200 -0.068 0.000 0.916 93 S CB 0.935 64.114 63.200 -0.036 0.000 0.791 93 S HN 0.366 8.523 8.310 -0.255 0.000 0.513 94 S N -0.476 115.213 115.700 -0.018 0.000 2.611 94 S HA 0.191 4.686 4.470 0.042 0.000 0.268 94 S C -2.590 171.936 174.600 -0.124 0.000 1.156 94 S CA -0.302 57.888 58.200 -0.016 0.000 0.817 94 S CB 1.425 64.601 63.200 -0.040 0.000 1.122 94 S HN -0.574 7.681 8.310 -0.091 0.000 0.466 95 L N -0.892 120.256 121.223 -0.125 0.000 2.388 95 L HA 0.429 4.741 4.340 -0.242 -0.118 0.264 95 L C -1.047 175.759 176.870 -0.106 0.000 0.998 95 L CA -0.934 53.795 54.840 -0.184 0.000 0.817 95 L CB 3.539 45.477 42.059 -0.202 0.000 1.338 95 L HN 0.089 8.274 8.230 -0.076 0.000 0.414 96 N N 1.983 120.625 118.700 -0.097 0.000 2.626 96 N HA 0.219 4.944 4.740 -0.026 0.000 0.249 96 N C -0.424 175.075 175.510 -0.019 0.000 1.021 96 N CA -1.389 51.639 53.050 -0.037 0.000 0.886 96 N CB 1.139 39.611 38.487 -0.024 0.000 1.149 96 N HN -0.024 8.283 8.380 -0.120 0.000 0.517 97 A N 5.830 128.635 122.820 -0.024 0.000 1.902 97 A HA -0.278 4.017 4.320 -0.041 0.000 0.217 97 A C 1.387 178.953 177.584 -0.030 0.000 1.181 97 A CA 2.826 54.844 52.037 -0.031 0.000 0.623 97 A CB -0.297 18.686 19.000 -0.029 0.000 0.818 97 A HN 0.703 8.839 8.150 -0.023 0.000 0.443 98 A N -1.565 121.241 122.820 -0.023 0.000 1.940 98 A HA -0.238 4.019 4.320 -0.105 0.000 0.219 98 A C 1.001 178.456 177.584 -0.215 0.000 1.176 98 A CA 2.558 54.535 52.037 -0.100 0.000 0.631 98 A CB -0.373 18.580 19.000 -0.078 0.000 0.814 98 A HN 0.091 8.328 8.150 0.002 -0.085 0.446 99 H N -5.373 113.677 119.070 -0.033 0.000 2.652 99 H HA 0.159 4.718 4.556 0.006 0.000 0.274 99 H C -1.184 174.126 175.328 -0.031 0.000 1.021 99 H CA -0.090 55.945 56.048 -0.021 0.000 1.187 99 H CB 1.024 30.764 29.762 -0.036 0.000 1.505 99 H HN -0.710 7.812 8.280 0.117 -0.172 0.530 100 N N -1.795 116.918 118.700 0.021 0.000 2.716 100 N HA -0.342 4.377 4.740 -0.035 0.000 0.250 100 N C -1.336 174.134 175.510 -0.067 0.000 1.033 100 N CA 1.533 54.574 53.050 -0.015 0.000 0.727 100 N CB -1.584 36.909 38.487 0.010 0.000 0.950 100 N HN -0.261 7.941 8.380 0.001 0.179 0.541 101 T N -7.034 107.447 114.554 -0.121 0.000 2.950 101 T HA 0.834 5.181 4.350 -0.250 -0.148 0.288 101 T C -1.031 173.555 174.700 -0.189 0.000 1.035 101 T CA -2.078 59.888 62.100 -0.224 0.000 1.028 101 T CB 3.638 72.308 68.868 -0.329 0.000 1.109 101 T HN -0.587 7.604 8.240 -0.082 0.000 0.514 102 V N 0.475 120.277 119.914 -0.186 0.000 2.709 102 V HA 0.383 4.313 4.120 -0.317 0.000 0.308 102 V C -1.570 174.403 176.094 -0.202 0.000 1.062 102 V CA -1.258 60.893 62.300 -0.248 0.000 0.901 102 V CB 3.598 35.288 31.823 -0.221 0.000 1.003 102 V HN 0.463 8.555 8.190 -0.163 0.000 0.425 103 T N 7.253 121.623 114.554 -0.307 0.000 2.841 103 T HA 0.766 5.289 4.350 -0.023 -0.187 0.283 103 T C -1.241 173.264 174.700 -0.325 0.000 1.000 103 T CA -1.022 60.976 62.100 -0.170 0.000 0.977 103 T CB 2.393 71.200 68.868 -0.102 0.000 0.979 103 T HN 0.510 8.528 8.240 -0.370 0.000 0.446 104 F N 5.265 125.231 119.950 0.028 0.000 2.495 104 F HA 0.363 4.923 4.527 0.056 0.000 0.327 104 F C -1.964 173.846 175.800 0.017 0.000 1.103 104 F CA -1.344 56.679 58.000 0.039 0.000 0.949 104 F CB 3.745 42.770 39.000 0.041 0.000 1.142 104 F HN 0.672 9.166 8.300 0.323 0.000 0.457 105 A N 2.364 125.283 122.820 0.165 0.000 2.359 105 A HA 1.006 5.579 4.320 0.087 -0.201 0.303 105 A C -1.965 175.665 177.584 0.076 0.000 1.066 105 A CA -1.056 51.035 52.037 0.089 0.000 0.730 105 A CB 2.341 21.367 19.000 0.044 0.000 1.211 105 A HN 0.210 8.453 8.150 0.154 0.000 0.439 106 A N 3.516 126.365 122.820 0.049 0.000 2.574 106 A HA 0.383 4.721 4.320 0.029 0.000 0.297 106 A C -1.666 175.909 177.584 -0.014 0.000 1.062 106 A CA -0.737 51.316 52.037 0.027 0.000 0.686 106 A CB 3.530 22.554 19.000 0.039 0.000 1.285 106 A HN 0.126 8.300 8.150 0.039 0.000 0.403 107 G N -1.239 107.549 108.800 -0.020 0.000 2.614 107 G HA2 0.100 4.172 3.960 -0.075 0.000 0.239 107 G HA3 0.100 4.044 3.960 -0.027 0.000 0.239 107 G C 1.057 175.882 174.900 -0.125 0.000 1.240 107 G CA -0.409 44.657 45.100 -0.057 0.000 0.842 107 G HN -0.036 8.556 8.290 -0.003 -0.304 0.584 108 L N 1.445 122.492 121.223 -0.293 0.000 2.265 108 L HA -0.257 3.798 4.340 -0.475 0.000 0.215 108 L C 1.268 177.859 176.870 -0.465 0.000 1.117 108 L CA 2.516 57.002 54.840 -0.590 0.000 0.782 108 L CB -0.201 41.130 42.059 -1.214 0.000 0.914 108 L HN -0.245 7.804 8.230 -0.301 0.000 0.441 109 H N -6.752 112.281 119.070 -0.061 0.000 2.586 109 H HA 0.317 4.938 4.556 0.109 0.000 0.273 109 H C 0.262 175.601 175.328 0.018 0.000 0.997 109 H CA -0.345 55.727 56.048 0.040 0.000 1.177 109 H CB -0.148 29.640 29.762 0.044 0.000 1.471 109 H HN 0.002 8.205 8.280 -0.078 0.030 0.538 110 E N 0.140 120.387 120.200 0.079 0.000 2.345 110 E HA 0.141 4.525 4.350 0.057 0.000 0.259 110 E C 0.115 176.734 176.600 0.032 0.000 1.117 110 E CA -0.184 56.246 56.400 0.050 0.000 0.913 110 E CB 1.350 31.069 29.700 0.032 0.000 1.057 110 E HN -0.670 7.597 8.360 0.035 0.114 0.432 111 c N -2.662 115.950 118.600 0.021 0.000 4.417 111 c HA -0.237 4.336 4.570 0.006 0.000 0.284 111 c C 0.588 174.673 174.090 -0.009 0.000 1.379 111 c CA 0.076 56.411 56.329 0.009 0.000 1.918 111 c CB -2.489 40.033 42.510 0.020 0.000 1.280 111 c HN 0.910 9.152 8.230 0.020 0.000 0.783 112 G N -2.789 106.000 108.800 -0.018 0.000 2.137 112 G HA2 -0.436 3.473 3.960 -0.085 0.000 0.237 112 G HA3 -0.436 3.454 3.960 -0.117 0.000 0.237 112 G C -0.522 174.354 174.900 -0.040 0.000 1.002 112 G CA -0.158 44.898 45.100 -0.073 0.000 0.702 112 G HN 0.469 8.716 8.290 -0.003 0.041 0.515 113 S N -0.489 115.230 115.700 0.032 0.000 2.580 113 S HA -0.081 4.562 4.470 0.090 -0.119 0.266 113 S C -0.013 174.648 174.600 0.102 0.000 1.354 113 S CA 0.272 58.522 58.200 0.084 0.000 1.008 113 S CB 1.744 65.008 63.200 0.107 0.000 0.898 113 S HN -0.767 7.534 8.310 0.037 0.032 0.555 114 V N 0.997 120.980 119.914 0.115 0.000 2.638 114 V HA 0.243 4.418 4.120 0.092 0.000 0.306 114 V C -1.796 174.301 176.094 0.004 0.000 1.052 114 V CA -0.959 61.394 62.300 0.088 0.000 0.885 114 V CB 3.260 35.163 31.823 0.132 0.000 0.999 114 V HN -0.033 8.223 8.190 0.111 0.000 0.424 115 V N 6.185 126.073 119.914 -0.044 0.000 2.483 115 V HA 0.688 4.804 4.120 -0.369 -0.217 0.295 115 V C -1.466 174.535 176.094 -0.155 0.000 1.035 115 V CA -2.889 59.260 62.300 -0.252 0.000 0.896 115 V CB 1.760 33.338 31.823 -0.408 0.000 0.986 115 V HN 0.258 8.453 8.190 0.008 0.000 0.447 116 Q N 8.935 128.619 119.800 -0.193 0.000 2.322 116 Q HA 0.355 4.675 4.340 -0.034 0.000 0.265 116 Q C -1.861 174.077 176.000 -0.104 0.000 0.985 116 Q CA -1.712 54.038 55.803 -0.087 0.000 0.849 116 Q CB 3.399 32.113 28.738 -0.041 0.000 1.274 116 Q HN 0.497 8.606 8.270 -0.269 0.000 0.449 117 V N 9.014 128.902 119.914 -0.043 0.000 2.334 117 V HA 0.217 4.308 4.120 -0.049 0.000 0.267 117 V C -0.325 175.772 176.094 0.005 0.000 1.040 117 V CA -0.730 61.554 62.300 -0.027 0.000 0.866 117 V CB -0.027 31.794 31.823 -0.004 0.000 1.019 117 V HN 0.514 8.696 8.190 -0.013 0.000 0.468 118 T N 4.723 119.282 114.554 0.008 0.000 2.897 118 T HA 0.585 4.954 4.350 0.031 0.000 0.278 118 T C -0.427 174.290 174.700 0.028 0.000 0.981 118 T CA -3.260 58.857 62.100 0.027 0.000 0.973 118 T CB 1.044 69.936 68.868 0.039 0.000 1.092 118 T HN 0.254 8.493 8.240 -0.001 0.000 0.543 119 P HA -0.138 4.296 4.420 0.022 0.000 0.216 119 P C -0.180 177.140 177.300 0.032 0.000 1.153 119 P CA 2.527 65.644 63.100 0.027 0.000 0.858 119 P CB -0.012 31.703 31.700 0.026 0.000 0.789 120 D N -7.023 113.402 120.400 0.041 0.000 2.469 120 D HA 0.099 4.766 4.640 0.045 0.000 0.213 120 D C -0.548 175.791 176.300 0.065 0.000 1.135 120 D CA -0.548 53.481 54.000 0.048 0.000 0.834 120 D CB 1.781 42.609 40.800 0.046 0.000 1.009 120 D HN -0.118 8.263 8.370 0.043 0.015 0.507 121 T N 1.336 115.928 114.554 0.064 0.000 2.909 121 T HA 0.567 5.147 4.350 0.107 -0.166 0.299 121 T C -2.163 172.565 174.700 0.047 0.000 1.073 121 T CA -0.468 61.682 62.100 0.083 0.000 0.999 121 T CB 3.729 72.662 68.868 0.108 0.000 1.098 121 T HN -0.573 7.698 8.240 0.052 0.000 0.477 122 L N 3.693 124.957 121.223 0.068 0.000 2.313 122 L HA 0.595 5.024 4.340 -0.104 -0.151 0.283 122 L C -1.565 175.260 176.870 -0.075 0.000 1.013 122 L CA -1.098 53.718 54.840 -0.038 0.000 0.816 122 L CB 2.345 44.399 42.059 -0.007 0.000 1.236 122 L HN 0.765 9.079 8.230 0.141 0.000 0.419 123 I N 1.624 122.034 120.570 -0.265 0.000 2.382 123 I HA 0.482 4.664 4.170 -0.289 -0.186 0.286 123 I C -1.136 174.776 176.117 -0.342 0.000 1.002 123 I CA -1.251 59.857 61.300 -0.320 0.000 1.135 123 I CB 2.259 40.025 38.000 -0.391 0.000 1.288 123 I HN 0.410 8.444 8.210 -0.294 0.000 0.448 124 Y N 7.167 127.422 120.300 -0.075 0.000 2.328 124 Y HA 0.430 5.119 4.550 -0.061 -0.175 0.337 124 Y C -0.867 174.986 175.900 -0.078 0.000 1.008 124 Y CA -1.385 56.682 58.100 -0.055 0.000 1.129 124 Y CB 1.863 40.314 38.460 -0.016 0.000 1.185 124 Y HN 0.688 9.100 8.280 0.219 0.000 0.476 125 R N 3.602 124.120 120.500 0.031 0.000 2.534 125 R HA 0.865 5.361 4.340 -0.027 -0.173 0.301 125 R C -0.832 175.483 176.300 0.026 0.000 0.961 125 R CA -1.046 55.032 56.100 -0.035 0.000 0.871 125 R CB 3.603 33.785 30.300 -0.197 0.000 1.170 125 R HN 0.556 8.841 8.270 0.024 0.000 0.446 126 T N 1.850 116.420 114.554 0.026 0.000 2.584 126 T HA 0.364 4.768 4.350 0.091 0.000 0.273 126 T C -2.553 172.162 174.700 0.025 0.000 0.978 126 T CA -2.236 59.894 62.100 0.050 0.000 1.159 126 T CB 1.332 70.225 68.868 0.041 0.000 1.556 126 T HN 0.431 8.679 8.240 0.013 0.000 0.472 127 L N -5.351 115.879 121.223 0.012 0.000 2.775 127 L HA 0.688 5.150 4.340 -0.013 -0.131 0.263 127 L C -2.524 174.305 176.870 -0.068 0.000 1.017 127 L CA -0.374 54.461 54.840 -0.009 0.000 0.891 127 L CB 3.389 45.464 42.059 0.026 0.000 1.482 127 L HN 0.040 8.274 8.230 0.006 0.000 0.410 128 I N -0.353 120.168 120.570 -0.080 0.000 2.339 128 I HA 0.470 4.637 4.170 -0.263 -0.154 0.290 128 I C -1.316 174.776 176.117 -0.041 0.000 0.994 128 I CA -2.052 59.155 61.300 -0.155 0.000 1.191 128 I CB 0.664 38.563 38.000 -0.169 0.000 1.343 128 I HN 0.168 8.350 8.210 -0.046 0.000 0.458 129 N N 7.438 126.120 118.700 -0.030 0.000 2.430 129 N HA 0.231 5.022 4.740 0.085 0.000 0.292 129 N C -2.024 173.578 175.510 0.154 0.000 1.051 129 N CA -0.978 52.110 53.050 0.062 0.000 0.917 129 N CB 3.506 42.019 38.487 0.044 0.000 1.164 129 N HN 0.299 8.628 8.380 -0.086 0.000 0.484 130 Y N 7.711 128.051 120.300 0.066 0.000 2.345 130 Y HA 0.503 5.286 4.550 0.096 -0.175 0.331 130 Y C -2.564 173.398 175.900 0.103 0.000 0.959 130 Y CA -2.160 56.002 58.100 0.103 0.000 1.204 130 Y CB 1.976 40.530 38.460 0.157 0.000 1.135 130 Y HN 0.675 9.108 8.280 0.255 0.000 0.477 131 D N 9.293 129.518 120.400 -0.292 0.000 2.438 131 D HA 0.390 4.843 4.640 -0.312 0.000 0.257 131 D C -2.633 173.428 176.300 -0.399 0.000 1.148 131 D CA -2.523 51.296 54.000 -0.302 0.000 0.902 131 D CB 1.716 42.459 40.800 -0.096 0.000 1.062 131 D HN 0.097 8.382 8.370 -0.141 0.000 0.518 132 P HA -0.107 4.266 4.420 -0.335 -0.154 0.266 132 P C -0.204 177.017 177.300 -0.131 0.000 1.195 132 P CA -0.104 62.781 63.100 -0.357 0.000 0.768 132 P CB 0.585 32.127 31.700 -0.264 0.000 0.838 133 S N 4.979 120.654 115.700 -0.043 0.000 2.584 133 S HA -0.003 4.460 4.470 -0.012 0.000 0.270 133 S C -1.265 173.332 174.600 -0.005 0.000 1.346 133 S CA -1.167 57.029 58.200 -0.006 0.000 1.018 133 S CB -0.523 62.694 63.200 0.027 0.000 0.899 133 S HN -0.250 8.256 8.310 -0.012 -0.204 0.542 134 P HA -0.107 4.311 4.420 -0.004 0.000 0.266 134 P C -0.994 176.312 177.300 0.010 0.000 1.195 134 P CA 0.356 63.457 63.100 0.002 0.000 0.768 134 P CB 0.194 31.897 31.700 0.004 0.000 0.838 135 A N 2.991 125.816 122.820 0.009 0.000 2.429 135 A HA -0.037 4.295 4.320 0.019 0.000 0.242 135 A C 0.670 178.262 177.584 0.013 0.000 1.088 135 A CA 0.052 52.097 52.037 0.014 0.000 0.784 135 A CB 0.701 19.708 19.000 0.012 0.000 1.038 135 A HN 0.133 8.286 8.150 0.005 0.000 0.501 136 S N -1.320 114.390 115.700 0.015 0.000 2.389 136 S HA -0.351 4.128 4.470 0.014 0.000 0.231 136 S C -0.003 174.604 174.600 0.011 0.000 1.052 136 S CA 1.995 60.203 58.200 0.014 0.000 1.053 136 S CB 0.091 63.299 63.200 0.014 0.000 0.886 136 S HN -0.026 8.295 8.310 0.017 0.000 0.456 137 N N 1.033 119.739 118.700 0.009 0.000 2.479 137 N HA 0.395 5.139 4.740 0.007 0.000 0.261 137 N C -1.939 173.575 175.510 0.006 0.000 0.979 137 N CA -2.667 50.388 53.050 0.007 0.000 0.930 137 N CB 0.724 39.215 38.487 0.007 0.000 1.172 137 N HN -0.455 7.932 8.380 0.010 -0.002 0.499 138 P HA -0.040 4.381 4.420 0.003 0.000 0.228 138 P C -0.000 177.301 177.300 0.003 0.000 1.151 138 P CA 0.955 64.058 63.100 0.004 0.000 0.770 138 P CB 0.210 31.912 31.700 0.004 0.000 0.786 139 V N -6.397 113.519 119.914 0.003 0.000 2.970 139 V HA -0.111 4.010 4.120 0.002 0.000 0.260 139 V C 0.107 176.202 176.094 0.002 0.000 1.100 139 V CA 0.831 63.132 62.300 0.003 0.000 1.122 139 V CB 0.172 31.997 31.823 0.003 0.000 0.721 139 V HN -0.441 8.013 8.190 0.004 -0.262 0.483 140 I N -4.407 116.164 120.570 0.002 0.000 2.863 140 I HA 0.332 4.502 4.170 0.001 0.000 0.311 140 I C -1.812 174.305 176.117 0.001 0.000 1.026 140 I CA -1.377 59.924 61.300 0.002 0.000 1.077 140 I CB 2.795 40.797 38.000 0.003 0.000 1.262 140 I HN -0.712 7.468 8.210 0.003 0.031 0.461 141 I N 0.857 121.427 120.570 -0.001 0.000 2.436 141 I HA 0.216 4.385 4.170 -0.002 0.000 0.289 141 I C -0.105 176.012 176.117 0.001 0.000 1.010 141 I CA -0.277 61.021 61.300 -0.002 0.000 1.098 141 I CB 1.829 39.824 38.000 -0.008 0.000 1.266 141 I HN 0.160 8.369 8.210 -0.001 0.000 0.434 142 R N 5.319 125.823 120.500 0.007 0.000 2.206 142 R HA 0.057 4.401 4.340 0.007 0.000 0.198 142 R C -0.386 175.922 176.300 0.014 0.000 0.986 142 R CA 0.233 56.340 56.100 0.012 0.000 1.029 142 R CB 0.881 31.194 30.300 0.021 0.000 0.966 142 R HN 0.399 8.675 8.270 0.010 0.000 0.487 143 T N 0.545 115.111 114.554 0.021 0.000 2.881 143 T HA 0.119 4.479 4.350 0.017 0.000 0.291 143 T C -1.308 173.401 174.700 0.016 0.000 0.990 143 T CA -0.731 61.392 62.100 0.038 0.000 0.976 143 T CB 1.546 70.490 68.868 0.127 0.000 0.970 143 T HN -0.354 7.897 8.240 0.018 0.000 0.438 144 N N 5.761 124.452 118.700 -0.014 0.000 2.482 144 N HA 0.126 4.853 4.740 -0.022 0.000 0.260 144 N C -1.577 173.948 175.510 0.026 0.000 1.236 144 N CA -0.948 52.090 53.050 -0.020 0.000 0.938 144 N CB -0.349 38.107 38.487 -0.053 0.000 1.128 144 N HN 0.028 8.380 8.380 -0.047 0.000 0.448 145 P HA 0.112 4.558 4.420 -0.104 -0.089 0.282 145 P C -1.640 175.771 177.300 0.186 0.000 1.286 145 P CA -0.276 62.833 63.100 0.016 0.000 0.777 145 P CB 1.214 32.904 31.700 -0.016 0.000 1.184 146 A N -3.377 119.601 122.820 0.263 0.000 2.608 146 A HA 0.256 4.696 4.320 0.200 0.000 0.292 146 A C -2.855 174.860 177.584 0.218 0.000 1.066 146 A CA 0.037 52.244 52.037 0.284 0.000 0.676 146 A CB 2.463 21.752 19.000 0.482 0.000 1.277 146 A HN -0.090 8.197 8.150 0.228 0.000 0.413 147 V N 0.894 120.903 119.914 0.158 0.000 2.623 147 V HA 0.733 5.090 4.120 0.106 -0.174 0.304 147 V C -1.116 175.032 176.094 0.091 0.000 1.054 147 V CA -1.538 60.827 62.300 0.108 0.000 0.882 147 V CB 3.226 35.098 31.823 0.081 0.000 1.002 147 V HN 0.211 8.492 8.190 0.152 0.000 0.424 148 I N 6.971 127.578 120.570 0.062 0.000 2.382 148 I HA 0.465 4.667 4.170 0.054 0.000 0.285 148 I C -2.135 173.996 176.117 0.022 0.000 1.007 148 I CA -3.297 58.029 61.300 0.043 0.000 1.142 148 I CB 2.810 40.826 38.000 0.026 0.000 1.289 148 I HN 0.412 8.652 8.210 0.050 0.000 0.453 149 P HA 0.172 4.718 4.420 0.009 -0.121 0.275 149 P C -1.433 175.873 177.300 0.011 0.000 1.227 149 P CA -0.692 62.417 63.100 0.015 0.000 0.781 149 P CB 0.504 32.217 31.700 0.022 0.000 0.906 150 I N 2.855 123.427 120.570 0.004 0.000 2.509 150 I HA 0.234 4.414 4.170 0.017 0.000 0.293 150 I C -1.613 174.516 176.117 0.020 0.000 1.020 150 I CA -1.667 59.640 61.300 0.012 0.000 1.088 150 I CB 3.316 41.317 38.000 0.002 0.000 1.267 150 I HN 0.274 8.483 8.210 -0.001 0.000 0.430 151 E N 5.313 125.539 120.200 0.044 0.000 2.331 151 E HA 0.683 5.237 4.350 0.036 -0.183 0.275 151 E C -1.686 174.981 176.600 0.112 0.000 0.895 151 E CA -1.475 54.963 56.400 0.063 0.000 0.753 151 E CB 3.862 33.614 29.700 0.087 0.000 1.216 151 E HN 0.139 8.528 8.360 0.049 0.000 0.434 152 c N 4.145 122.816 118.600 0.119 0.000 2.431 152 c HA 0.425 5.045 4.570 0.083 0.000 0.321 152 c C -1.298 172.844 174.090 0.087 0.000 1.202 152 c CA -0.841 55.559 56.329 0.118 0.000 1.398 152 c CB 2.421 45.039 42.510 0.179 0.000 2.047 152 c HN 0.518 8.810 8.230 0.103 0.000 0.465 153 H N 3.920 122.895 119.070 -0.159 0.000 2.469 153 H HA 0.881 5.640 4.556 0.059 -0.167 0.342 153 H C -0.741 174.399 175.328 -0.314 0.000 1.115 153 H CA -1.160 54.832 56.048 -0.093 0.000 1.204 153 H CB 2.645 32.363 29.762 -0.073 0.000 1.492 153 H HN 0.257 8.567 8.280 0.051 0.000 0.499 154 Y N 0.684 121.090 120.300 0.176 0.000 2.457 154 Y HA 0.259 4.883 4.550 0.124 0.000 0.343 154 Y C -2.222 173.740 175.900 0.103 0.000 0.994 154 Y CA -2.896 55.286 58.100 0.136 0.000 1.031 154 Y CB 3.000 41.554 38.460 0.156 0.000 1.246 154 Y HN 0.525 8.999 8.280 0.323 0.000 0.449 155 P HA 0.098 4.739 4.420 0.126 -0.146 0.268 155 P C -0.817 176.571 177.300 0.147 0.000 1.205 155 P CA -0.410 62.779 63.100 0.148 0.000 0.771 155 P CB 0.623 32.390 31.700 0.112 0.000 0.858 156 R N 3.094 123.657 120.500 0.105 0.000 2.582 156 R HA 0.006 4.402 4.340 0.093 0.000 0.271 156 R C -0.167 176.175 176.300 0.070 0.000 1.078 156 R CA 0.359 56.510 56.100 0.084 0.000 1.127 156 R CB 0.578 30.915 30.300 0.061 0.000 1.038 156 R HN -0.055 8.270 8.270 0.092 0.000 0.500 183 V N -0.710 119.082 119.914 -0.203 0.000 2.378 183 V HA 0.524 4.654 4.120 0.015 0.000 0.288 183 V C -0.921 175.066 176.094 -0.179 0.000 1.016 183 V CA -0.838 61.407 62.300 -0.092 0.000 0.840 183 V CB 1.538 33.346 31.823 -0.026 0.000 0.994 183 V HN 0.202 8.257 8.190 -0.225 0.000 0.431 184 F N 6.533 126.486 119.950 0.005 0.000 2.377 184 F HA 0.608 5.295 4.527 0.015 -0.151 0.328 184 F C 0.286 176.102 175.800 0.026 0.000 1.094 184 F CA -0.600 57.407 58.000 0.012 0.000 1.093 184 F CB 2.126 41.125 39.000 -0.001 0.000 1.214 184 F HN 0.352 8.868 8.300 0.359 0.000 0.518 185 S N -1.527 114.309 115.700 0.226 0.000 2.537 185 S HA 0.312 4.875 4.470 0.155 0.000 0.271 185 S C -2.251 172.447 174.600 0.163 0.000 1.148 185 S CA -0.666 57.629 58.200 0.158 0.000 0.868 185 S CB 2.548 65.808 63.200 0.101 0.000 1.115 185 S HN 0.265 8.722 8.310 0.245 0.000 0.461 186 L N 1.678 122.992 121.223 0.153 0.000 2.341 186 L HA 0.602 5.201 4.340 0.153 -0.167 0.278 186 L C -0.320 176.626 176.870 0.127 0.000 1.005 186 L CA -0.872 54.058 54.840 0.150 0.000 0.818 186 L CB 2.167 44.326 42.059 0.168 0.000 1.259 186 L HN 0.384 8.702 8.230 0.146 0.000 0.418 187 R N 1.517 122.073 120.500 0.093 0.000 2.686 187 R HA 0.351 4.748 4.340 0.095 0.000 0.286 187 R C -2.056 174.235 176.300 -0.015 0.000 0.969 187 R CA -1.678 54.463 56.100 0.068 0.000 0.898 187 R CB 3.480 33.828 30.300 0.080 0.000 1.183 187 R HN 0.303 8.625 8.270 0.088 0.000 0.456 188 L N 4.783 125.939 121.223 -0.111 0.000 2.255 188 L HA 0.468 4.809 4.340 -0.228 -0.138 0.289 188 L C -1.320 175.441 176.870 -0.181 0.000 1.046 188 L CA -0.289 54.405 54.840 -0.242 0.000 0.816 188 L CB 1.197 42.926 42.059 -0.549 0.000 1.197 188 L HN 0.504 8.673 8.230 -0.101 0.000 0.427 189 M N 6.052 125.532 119.600 -0.199 0.000 2.528 189 M HA 0.523 5.054 4.480 -0.116 -0.120 0.318 189 M C -0.121 175.988 176.300 -0.319 0.000 1.195 189 M CA -3.361 51.815 55.300 -0.206 0.000 1.000 189 M CB 2.004 34.509 32.600 -0.158 0.000 1.615 189 M HN 0.573 8.716 8.290 -0.246 0.000 0.469 190 S N 0.717 116.266 115.700 -0.251 0.000 2.589 190 S HA -0.076 4.247 4.470 -0.244 0.000 0.265 190 S C 1.064 175.409 174.600 -0.425 0.000 1.342 190 S CA -0.114 57.929 58.200 -0.261 0.000 1.005 190 S CB 1.084 64.188 63.200 -0.159 0.000 0.909 190 S HN 0.254 8.461 8.310 -0.173 0.000 0.555 191 D N -2.148 118.044 120.400 -0.346 0.000 2.264 191 D HA -0.184 4.327 4.640 -0.601 -0.232 0.208 191 D C -0.006 176.071 176.300 -0.370 0.000 0.966 191 D CA 2.129 55.883 54.000 -0.410 0.000 0.864 191 D CB -0.512 40.156 40.800 -0.221 0.000 0.933 191 D HN 0.460 8.678 8.370 -0.253 0.000 0.499 192 D N -4.064 116.219 120.400 -0.196 0.000 2.340 192 D HA -0.174 4.498 4.640 0.052 0.000 0.220 192 D C 0.212 176.597 176.300 0.141 0.000 1.039 192 D CA -0.558 53.436 54.000 -0.010 0.000 0.866 192 D CB -1.473 39.332 40.800 0.008 0.000 0.913 192 D HN -0.267 7.979 8.370 -0.172 0.021 0.523 193 W N -5.349 115.943 121.300 -0.013 0.000 3.520 193 W HA -0.419 4.291 4.660 -0.021 -0.063 0.305 193 W C 0.376 176.889 176.519 -0.011 0.000 1.150 193 W CA 0.928 58.265 57.345 -0.014 0.000 0.656 193 W CB -2.693 26.763 29.460 -0.007 0.000 2.198 193 W HN -0.154 7.626 8.180 -0.356 0.186 1.417 194 S N -2.541 113.239 115.700 0.134 0.000 2.395 194 S HA -0.108 4.428 4.470 0.109 0.000 0.225 194 S C 0.562 175.202 174.600 0.065 0.000 1.027 194 S CA 2.298 60.552 58.200 0.091 0.000 0.965 194 S CB 1.146 64.377 63.200 0.051 0.000 0.812 194 S HN -0.356 8.242 8.310 0.076 -0.242 0.482 195 T N -0.619 113.957 114.554 0.036 0.000 2.838 195 T HA 0.299 4.671 4.350 0.036 0.000 0.292 195 T C -1.829 172.873 174.700 0.003 0.000 1.113 195 T CA -1.970 60.143 62.100 0.021 0.000 1.008 195 T CB 2.534 71.403 68.868 0.002 0.000 1.259 195 T HN -0.792 7.457 8.240 0.016 0.000 0.520 196 E N 1.419 121.626 120.200 0.010 0.000 2.343 196 E HA 0.117 4.582 4.350 -0.019 -0.127 0.269 196 E C -0.239 176.342 176.600 -0.030 0.000 1.047 196 E CA 0.049 56.447 56.400 -0.003 0.000 0.874 196 E CB 1.322 31.044 29.700 0.037 0.000 1.033 196 E HN 0.199 8.573 8.360 0.022 0.000 0.409 197 R N 5.023 125.479 120.500 -0.073 0.000 2.892 197 R HA 0.432 4.731 4.340 -0.069 0.000 0.265 197 R C -2.138 174.118 176.300 -0.073 0.000 1.025 197 R CA -3.227 52.817 56.100 -0.093 0.000 0.982 197 R CB -0.244 29.963 30.300 -0.156 0.000 1.185 197 R HN -0.024 8.185 8.270 -0.101 0.000 0.484 198 P HA 0.007 4.519 4.420 0.153 0.000 0.269 198 P C -0.986 176.335 177.300 0.036 0.000 1.215 198 P CA -0.051 63.073 63.100 0.040 0.000 0.780 198 P CB 0.338 32.029 31.700 -0.015 0.000 0.898 199 F N -1.507 118.475 119.950 0.052 0.000 2.811 199 F HA 0.032 4.727 4.527 0.280 0.000 0.301 199 F C 0.425 176.322 175.800 0.162 0.000 1.151 199 F CA 0.684 58.775 58.000 0.150 0.000 1.412 199 F CB -0.017 39.023 39.000 0.067 0.000 1.113 199 F HN 0.304 8.939 8.300 0.559 0.000 0.579 200 T N -5.816 108.834 114.554 0.160 0.000 2.949 200 T HA 0.166 4.605 4.350 0.148 0.000 0.287 200 T C 0.144 174.766 174.700 -0.130 0.000 1.034 200 T CA -1.832 60.311 62.100 0.072 0.000 1.018 200 T CB 2.481 71.378 68.868 0.049 0.000 1.135 200 T HN -0.691 7.541 8.240 0.098 0.067 0.532 201 G N 0.820 109.567 108.800 -0.087 0.000 2.160 201 G HA2 -0.307 3.597 3.960 -0.094 0.000 0.244 201 G HA3 -0.307 3.521 3.960 -0.220 0.000 0.244 201 G C -0.437 174.295 174.900 -0.280 0.000 1.022 201 G CA 0.171 45.167 45.100 -0.173 0.000 0.741 201 G HN 0.276 8.563 8.290 -0.006 0.000 0.508 202 F N -0.070 119.845 119.950 -0.058 0.000 2.384 202 F HA 0.208 4.821 4.527 -0.080 -0.134 0.338 202 F C -0.130 175.633 175.800 -0.062 0.000 1.103 202 F CA -0.694 57.261 58.000 -0.076 0.000 1.157 202 F CB 1.323 40.261 39.000 -0.103 0.000 1.167 202 F HN -0.416 7.965 8.300 0.135 0.000 0.529 203 Q N 0.798 120.678 119.800 0.134 0.000 2.413 203 Q HA 0.361 4.736 4.340 0.059 0.000 0.276 203 Q C -1.486 174.546 176.000 0.054 0.000 1.099 203 Q CA -2.024 53.818 55.803 0.064 0.000 0.814 203 Q CB 2.559 31.310 28.738 0.023 0.000 1.379 203 Q HN 0.487 9.148 8.270 0.139 -0.307 0.436 204 L N 1.299 122.537 121.223 0.024 0.000 2.559 204 L HA -0.515 3.828 4.340 0.005 0.000 0.282 204 L C 1.435 178.315 176.870 0.017 0.000 1.232 204 L CA 2.288 57.135 54.840 0.012 0.000 0.885 204 L CB -0.690 41.373 42.059 0.005 0.000 1.131 204 L HN 0.418 8.659 8.230 0.019 0.000 0.498 205 G N 2.618 111.429 108.800 0.017 0.000 2.254 205 G HA2 -0.385 3.584 3.960 0.014 0.000 0.225 205 G HA3 -0.385 3.583 3.960 0.013 0.000 0.225 205 G C -0.121 174.794 174.900 0.024 0.000 1.003 205 G CA -0.315 44.795 45.100 0.017 0.000 0.622 205 G HN 0.537 8.837 8.290 0.016 0.000 0.507 206 D N 1.228 121.655 120.400 0.045 0.000 2.383 206 D HA 0.187 4.855 4.640 0.047 0.000 0.248 206 D C -1.407 174.924 176.300 0.051 0.000 1.170 206 D CA -0.082 53.962 54.000 0.073 0.000 0.977 206 D CB 1.345 42.257 40.800 0.188 0.000 1.120 206 D HN -0.229 8.105 8.370 0.051 0.066 0.481 207 I N -1.108 119.492 120.570 0.051 0.000 2.465 207 I HA 0.382 4.673 4.170 -0.016 -0.130 0.291 207 I C -0.390 175.707 176.117 -0.034 0.000 1.014 207 I CA -1.154 60.143 61.300 -0.004 0.000 1.093 207 I CB 2.504 40.496 38.000 -0.014 0.000 1.267 207 I HN 0.123 8.373 8.210 0.067 0.000 0.431 208 L N 6.976 128.113 121.223 -0.142 0.000 2.313 208 L HA 0.173 4.376 4.340 -0.228 0.000 0.282 208 L C -1.286 175.454 176.870 -0.218 0.000 1.092 208 L CA -0.790 53.908 54.840 -0.238 0.000 0.831 208 L CB 0.337 42.196 42.059 -0.333 0.000 1.159 208 L HN 0.615 8.761 8.230 -0.139 0.000 0.442 209 N N 4.886 123.397 118.700 -0.316 0.000 2.485 209 N HA 0.280 4.953 4.740 -0.318 -0.123 0.243 209 N C -1.207 174.088 175.510 -0.359 0.000 0.987 209 N CA 0.249 53.003 53.050 -0.494 0.000 0.940 209 N CB 1.044 38.846 38.487 -1.141 0.000 1.122 209 N HN 0.494 8.694 8.380 -0.301 0.000 0.509 210 I N 3.507 123.904 120.570 -0.289 0.000 2.404 210 I HA 0.513 4.728 4.170 -0.219 -0.177 0.293 210 I C -1.959 174.061 176.117 -0.162 0.000 0.992 210 I CA -1.206 59.872 61.300 -0.371 0.000 1.149 210 I CB 2.704 40.223 38.000 -0.802 0.000 1.315 210 I HN 0.647 8.656 8.210 -0.335 0.000 0.446 211 Q N 7.779 127.613 119.800 0.056 0.000 2.357 211 Q HA 0.514 5.040 4.340 0.113 -0.118 0.266 211 Q C -1.960 174.115 176.000 0.125 0.000 1.021 211 Q CA -1.923 53.962 55.803 0.136 0.000 0.784 211 Q CB 3.161 32.028 28.738 0.216 0.000 1.243 211 Q HN 0.456 8.751 8.270 0.042 0.000 0.465 212 A N 7.581 130.514 122.820 0.187 0.000 2.310 212 A HA 0.813 5.426 4.320 0.208 -0.168 0.299 212 A C -1.576 176.099 177.584 0.152 0.000 1.147 212 A CA -1.677 50.492 52.037 0.221 0.000 0.818 212 A CB 2.210 21.407 19.000 0.328 0.000 1.096 212 A HN 0.918 9.200 8.150 0.221 0.000 0.495 213 E N 0.261 120.543 120.200 0.137 0.000 2.445 213 E HA 0.869 5.399 4.350 0.055 -0.146 0.279 213 E C -2.366 174.252 176.600 0.031 0.000 1.018 213 E CA -1.813 54.628 56.400 0.069 0.000 0.816 213 E CB 4.301 34.023 29.700 0.037 0.000 1.356 213 E HN 0.309 8.765 8.360 0.160 0.000 0.462 214 V N 0.636 120.503 119.914 -0.078 0.000 2.686 214 V HA 0.483 4.560 4.120 -0.344 -0.164 0.306 214 V C -1.705 174.266 176.094 -0.205 0.000 1.065 214 V CA -2.831 59.303 62.300 -0.277 0.000 0.894 214 V CB 3.183 34.728 31.823 -0.462 0.000 1.004 214 V HN -0.438 7.712 8.190 -0.067 0.000 0.424 215 S N 7.994 123.570 115.700 -0.207 0.000 2.573 215 S HA -0.079 4.343 4.470 -0.080 0.000 0.297 215 S C 0.669 175.213 174.600 -0.094 0.000 1.280 215 S CA 0.567 58.697 58.200 -0.116 0.000 1.061 215 S CB 0.361 63.503 63.200 -0.097 0.000 0.812 215 S HN 0.090 8.247 8.310 -0.256 0.000 0.500 216 T N 5.975 120.497 114.554 -0.054 0.000 4.508 216 T HA -0.153 4.174 4.350 -0.040 0.000 0.232 216 T C -0.185 174.505 174.700 -0.017 0.000 1.027 216 T CA 0.338 62.416 62.100 -0.035 0.000 0.999 216 T CB -0.997 67.855 68.868 -0.026 0.000 1.402 216 T HN 0.321 8.534 8.240 -0.045 0.000 1.003 217 E N 4.042 124.240 120.200 -0.003 0.000 2.425 217 E HA -0.172 4.192 4.350 0.023 0.000 0.258 217 E C 0.129 176.747 176.600 0.030 0.000 1.151 217 E CA -0.868 55.557 56.400 0.042 0.000 0.958 217 E CB 0.136 29.913 29.700 0.128 0.000 0.968 217 E HN -0.491 7.792 8.360 -0.019 0.065 0.451 218 N N -1.617 117.067 118.700 -0.026 0.000 2.132 218 N HA -0.373 4.324 4.740 -0.071 0.000 0.191 218 N C -0.164 175.290 175.510 -0.093 0.000 1.015 218 N CA 1.973 54.959 53.050 -0.106 0.000 0.864 218 N CB -0.370 37.991 38.487 -0.209 0.000 1.006 218 N HN 0.231 8.592 8.380 -0.032 0.000 0.430 219 H N -0.554 118.503 119.070 -0.022 0.000 2.830 219 H HA -0.131 4.418 4.556 -0.012 0.000 0.382 219 H C 0.518 175.835 175.328 -0.018 0.000 1.423 219 H CA 0.429 56.467 56.048 -0.017 0.000 1.464 219 H CB 0.568 30.320 29.762 -0.017 0.000 1.495 219 H HN -0.552 7.774 8.280 0.099 0.013 0.617 220 V N -3.612 116.381 119.914 0.131 0.000 3.484 220 V HA -0.154 3.989 4.120 0.037 0.000 0.304 220 V C -1.294 174.823 176.094 0.038 0.000 1.116 220 V CA -1.012 61.324 62.300 0.059 0.000 1.187 220 V CB -0.552 31.303 31.823 0.054 0.000 1.062 220 V HN -0.030 8.265 8.190 0.175 0.000 0.489 221 P HA 0.025 4.443 4.420 -0.003 0.000 0.271 221 P C -1.568 175.733 177.300 0.001 0.000 1.216 221 P CA 0.314 63.415 63.100 0.003 0.000 0.771 221 P CB 0.196 31.895 31.700 -0.003 0.000 0.864 222 L N 1.346 122.561 121.223 -0.014 0.000 2.323 222 L HA 0.563 5.078 4.340 0.001 -0.174 0.265 222 L C -0.455 176.385 176.870 -0.050 0.000 1.012 222 L CA -1.556 53.275 54.840 -0.016 0.000 0.820 222 L CB 3.851 45.899 42.059 -0.019 0.000 1.334 222 L HN 0.075 8.291 8.230 -0.023 0.000 0.427 223 R N -0.688 119.775 120.500 -0.063 0.000 2.562 223 R HA 0.496 4.852 4.340 -0.199 -0.135 0.298 223 R C -2.074 174.072 176.300 -0.255 0.000 0.961 223 R CA -1.707 54.278 56.100 -0.191 0.000 0.881 223 R CB 3.906 34.073 30.300 -0.222 0.000 1.159 223 R HN 0.024 8.282 8.270 -0.021 0.000 0.450 224 L N 5.098 126.109 121.223 -0.353 0.000 2.295 224 L HA 0.577 5.020 4.340 -0.043 -0.130 0.285 224 L C -2.248 174.356 176.870 -0.443 0.000 1.035 224 L CA -0.756 53.958 54.840 -0.210 0.000 0.806 224 L CB 2.663 44.691 42.059 -0.052 0.000 1.214 224 L HN -0.034 7.975 8.230 -0.367 0.000 0.426 225 F N 5.338 125.324 119.950 0.060 0.000 2.598 225 F HA 0.342 4.854 4.527 -0.026 0.000 0.327 225 F C -1.323 174.508 175.800 0.051 0.000 1.057 225 F CA -1.181 56.826 58.000 0.013 0.000 0.957 225 F CB 4.198 43.188 39.000 -0.017 0.000 1.278 225 F HN 0.646 9.061 8.300 0.192 0.000 0.484 226 V N 1.373 121.445 119.914 0.263 0.000 2.326 226 V HA 0.233 4.578 4.120 0.167 -0.125 0.281 226 V C -0.772 175.414 176.094 0.152 0.000 1.015 226 V CA -0.680 61.734 62.300 0.190 0.000 0.823 226 V CB 0.976 32.906 31.823 0.177 0.000 1.009 226 V HN 0.351 8.697 8.190 0.261 0.000 0.436 227 D N 5.841 126.327 120.400 0.143 0.000 2.144 227 D HA -0.062 4.610 4.640 0.053 0.000 0.200 227 D C -0.425 175.888 176.300 0.023 0.000 0.978 227 D CA 2.890 56.941 54.000 0.085 0.000 0.833 227 D CB 1.235 42.107 40.800 0.119 0.000 0.961 227 D HN 0.091 8.564 8.370 0.172 0.000 0.470 228 S N -7.584 108.139 115.700 0.039 0.000 2.552 228 S HA 0.262 4.745 4.470 -0.075 -0.058 0.272 228 S C -2.053 172.553 174.600 0.011 0.000 1.150 228 S CA -0.946 57.237 58.200 -0.028 0.000 0.849 228 S CB 2.024 65.183 63.200 -0.068 0.000 1.113 228 S HN -0.776 7.588 8.310 0.092 0.000 0.458 229 c N 1.568 120.154 118.600 -0.023 0.000 2.609 229 c HA 0.738 5.552 4.570 0.085 -0.192 0.313 229 c C -1.388 172.724 174.090 0.037 0.000 1.175 229 c CA -0.879 55.478 56.329 0.047 0.000 1.434 229 c CB 3.361 45.917 42.510 0.077 0.000 2.005 229 c HN 0.279 8.465 8.230 -0.073 0.000 0.471 230 V N 3.931 123.903 119.914 0.098 0.000 2.577 230 V HA 0.446 4.774 4.120 0.104 -0.145 0.303 230 V C -1.963 174.289 176.094 0.262 0.000 1.042 230 V CA -1.517 60.862 62.300 0.131 0.000 0.872 230 V CB 4.290 36.153 31.823 0.067 0.000 0.998 230 V HN 0.643 8.904 8.190 0.119 0.000 0.423 231 A N 6.152 129.223 122.820 0.418 0.000 2.304 231 A HA 1.129 5.941 4.320 0.467 -0.212 0.301 231 A C -1.873 176.113 177.584 0.670 0.000 1.132 231 A CA -2.136 50.254 52.037 0.587 0.000 0.819 231 A CB 2.590 22.097 19.000 0.845 0.000 1.094 231 A HN 0.565 8.973 8.150 0.430 0.000 0.492 232 A N 0.041 123.174 122.820 0.522 0.000 2.493 232 A HA 0.615 4.968 4.320 -0.148 -0.122 0.300 232 A C -1.598 176.039 177.584 0.088 0.000 1.152 232 A CA -0.352 51.770 52.037 0.141 0.000 0.643 232 A CB 2.907 21.972 19.000 0.109 0.000 1.316 232 A HN 0.225 8.681 8.150 0.509 0.000 0.469 233 L N -1.987 119.165 121.223 -0.120 0.000 2.592 233 L HA 0.160 4.591 4.340 0.152 0.000 0.227 233 L C -0.344 176.607 176.870 0.135 0.000 1.127 233 L CA 0.263 55.124 54.840 0.035 0.000 0.884 233 L CB 0.336 42.338 42.059 -0.095 0.000 1.065 233 L HN 0.671 8.766 8.230 -0.225 0.000 0.457 234 S N -4.110 111.573 115.700 -0.028 0.000 2.625 234 S HA 0.305 4.259 4.470 -0.859 0.000 0.271 234 S C -2.176 172.175 174.600 -0.414 0.000 1.161 234 S CA -2.689 55.262 58.200 -0.415 0.000 0.820 234 S CB 1.567 64.612 63.200 -0.259 0.000 1.137 234 S HN -0.820 7.437 8.310 -0.016 0.043 0.470 235 P HA -0.095 4.236 4.420 -0.149 0.000 0.222 235 P C -0.966 176.277 177.300 -0.095 0.000 1.142 235 P CA 1.295 64.245 63.100 -0.251 0.000 0.788 235 P CB 0.251 31.817 31.700 -0.224 0.000 0.767 236 D N -1.810 118.527 120.400 -0.104 0.000 2.352 236 D HA -0.054 4.560 4.640 -0.044 0.000 0.245 236 D C 0.086 176.364 176.300 -0.035 0.000 1.224 236 D CA -1.009 52.957 54.000 -0.057 0.000 0.879 236 D CB 0.258 41.023 40.800 -0.060 0.000 1.057 236 D HN -0.837 7.417 8.370 -0.142 0.030 0.491 237 G N 2.494 111.282 108.800 -0.019 0.000 2.679 237 G HA2 -0.103 3.878 3.960 0.036 0.000 0.212 237 G HA3 -0.103 3.853 3.960 -0.006 0.000 0.212 237 G C 0.432 175.254 174.900 -0.129 0.000 1.137 237 G CA 0.566 45.657 45.100 -0.016 0.000 0.787 237 G HN 0.214 8.495 8.290 -0.016 0.000 0.534 238 D N -0.769 119.558 120.400 -0.122 0.000 2.347 238 D HA 0.131 4.595 4.640 -0.294 0.000 0.213 238 D C 0.300 176.557 176.300 -0.073 0.000 0.985 238 D CA 0.734 54.635 54.000 -0.165 0.000 0.879 238 D CB 0.642 41.382 40.800 -0.100 0.000 0.919 238 D HN -0.460 8.073 8.370 -0.083 -0.212 0.526 239 S N 0.054 115.744 115.700 -0.017 0.000 2.614 239 S HA -0.007 4.477 4.470 0.025 0.000 0.265 239 S C -0.546 174.133 174.600 0.132 0.000 1.303 239 S CA -0.005 58.212 58.200 0.029 0.000 1.000 239 S CB 1.088 64.279 63.200 -0.016 0.000 0.935 239 S HN -0.682 7.566 8.310 -0.030 0.045 0.551 240 S N 1.768 117.516 115.700 0.081 0.000 2.451 240 S HA 0.376 4.905 4.470 0.098 0.000 0.301 240 S C -1.724 172.837 174.600 -0.064 0.000 1.116 240 S CA -2.151 56.079 58.200 0.050 0.000 1.093 240 S CB 0.695 63.918 63.200 0.039 0.000 1.017 240 S HN 0.169 8.506 8.310 0.044 0.000 0.482 241 P HA 0.325 4.677 4.420 -0.113 0.000 0.281 241 P C -1.907 175.262 177.300 -0.218 0.000 1.264 241 P CA -0.536 62.455 63.100 -0.182 0.000 0.824 241 P CB 1.087 32.700 31.700 -0.146 0.000 1.092 242 H N -5.666 113.463 119.070 0.097 0.000 3.008 242 H HA 0.501 5.378 4.556 0.284 -0.150 0.354 242 H C -2.151 173.492 175.328 0.526 0.000 1.252 242 H CA -1.337 54.876 56.048 0.276 0.000 1.117 242 H CB 2.748 32.589 29.762 0.132 0.000 1.857 242 H HN -0.018 8.099 8.280 -0.271 0.000 0.547 243 Y N 0.276 120.876 120.300 0.500 0.000 2.358 243 Y HA 0.054 4.680 4.550 0.125 0.000 0.324 243 Y C -2.793 173.197 175.900 0.149 0.000 1.123 243 Y CA 0.261 58.481 58.100 0.200 0.000 1.067 243 Y CB 2.990 41.411 38.460 -0.064 0.000 1.230 243 Y HN 0.302 9.020 8.280 0.730 0.000 0.429 244 A N 8.414 130.949 122.820 -0.474 0.000 2.354 244 A HA 0.103 4.422 4.320 -0.214 -0.127 0.281 244 A C -1.586 175.575 177.584 -0.704 0.000 1.174 244 A CA -0.204 51.578 52.037 -0.425 0.000 0.828 244 A CB 0.019 18.817 19.000 -0.336 0.000 1.099 244 A HN 0.336 8.213 8.150 -0.455 0.000 0.516 245 I N 2.568 122.932 120.570 -0.345 0.000 2.628 245 I HA -0.041 3.962 4.170 -0.279 0.000 0.255 245 I C -0.253 175.746 176.117 -0.197 0.000 1.119 245 I CA 2.150 63.324 61.300 -0.210 0.000 1.448 245 I CB 1.363 39.394 38.000 0.052 0.000 1.133 245 I HN -0.044 8.057 8.210 -0.181 0.000 0.438 246 I N -3.064 117.386 120.570 -0.200 0.000 2.498 246 I HA 0.436 4.675 4.170 -0.178 -0.176 0.290 246 I C -1.805 174.152 176.117 -0.266 0.000 1.032 246 I CA -1.058 60.124 61.300 -0.198 0.000 1.073 246 I CB 3.414 41.312 38.000 -0.170 0.000 1.251 246 I HN -0.825 7.282 8.210 -0.171 0.000 0.426 247 D N 5.917 126.087 120.400 -0.384 0.000 2.596 247 D HA 0.286 4.634 4.640 -0.487 0.000 0.262 247 D C -1.202 174.762 176.300 -0.561 0.000 1.210 247 D CA -1.264 52.323 54.000 -0.689 0.000 0.873 247 D CB 4.316 44.296 40.800 -1.367 0.000 1.408 247 D HN 0.295 8.472 8.370 -0.321 0.000 0.441 248 F N -3.972 115.922 119.950 -0.094 0.000 3.039 248 F HA -0.436 4.023 4.527 -0.113 0.000 0.287 248 F C -1.413 174.314 175.800 -0.121 0.000 0.956 248 F CA 0.015 57.944 58.000 -0.118 0.000 0.971 248 F CB -2.528 36.379 39.000 -0.155 0.000 0.943 248 F HN 0.513 8.620 8.300 -0.322 0.000 0.766 249 N N -5.178 113.529 118.700 0.012 0.000 2.708 249 N HA -0.459 4.495 4.740 -0.034 -0.235 0.255 249 N C 0.109 175.592 175.510 -0.044 0.000 1.046 249 N CA 1.106 54.137 53.050 -0.033 0.000 0.715 249 N CB -1.556 36.894 38.487 -0.063 0.000 0.895 249 N HN 0.061 8.432 8.380 -0.015 0.000 0.545 250 G N -7.011 101.788 108.800 -0.002 0.000 2.144 250 G HA2 -0.489 3.743 3.960 0.130 0.000 0.218 250 G HA3 -0.489 3.691 3.960 0.001 -0.219 0.218 250 G C -0.964 174.024 174.900 0.146 0.000 0.988 250 G CA 0.036 45.173 45.100 0.061 0.000 0.659 250 G HN -0.241 8.044 8.290 -0.007 0.000 0.522 251 c N 1.311 119.952 118.600 0.068 0.000 2.349 251 c HA 0.032 4.698 4.570 0.159 0.000 0.348 251 c C -0.459 173.741 174.090 0.183 0.000 1.223 251 c CA 0.699 57.082 56.329 0.090 0.000 1.746 251 c CB -1.858 40.598 42.510 -0.090 0.000 2.360 251 c HN 0.019 8.254 8.230 0.008 0.000 0.533 252 L N 7.089 128.540 121.223 0.379 0.000 2.382 252 L HA 0.193 4.527 4.340 -0.010 0.000 0.259 252 L C 0.671 177.689 176.870 0.247 0.000 1.291 252 L CA -0.432 54.498 54.840 0.150 0.000 1.176 252 L CB -0.549 41.469 42.059 -0.068 0.000 1.373 252 L HN 0.316 8.883 8.230 0.562 0.000 0.426 253 V N 1.399 121.401 119.914 0.147 0.000 2.759 253 V HA -0.436 3.944 4.120 0.433 0.000 0.256 253 V C 1.396 177.539 176.094 0.082 0.000 1.080 253 V CA 2.877 65.288 62.300 0.185 0.000 1.101 253 V CB -0.186 31.635 31.823 -0.004 0.000 0.698 253 V HN 0.014 8.196 8.190 0.015 0.017 0.477 254 D N 1.658 122.074 120.400 0.026 0.000 2.218 254 D HA -0.197 4.503 4.640 0.100 0.000 0.204 254 D C 1.861 178.206 176.300 0.075 0.000 0.976 254 D CA 2.906 56.948 54.000 0.070 0.000 0.853 254 D CB -0.017 40.845 40.800 0.103 0.000 0.939 254 D HN -0.395 7.942 8.370 -0.009 0.028 0.481 255 G N -2.377 106.468 108.800 0.074 0.000 2.650 255 G HA2 -0.146 3.856 3.960 0.071 0.000 0.214 255 G HA3 -0.146 3.975 3.960 0.079 -0.114 0.214 255 G C 0.369 175.312 174.900 0.072 0.000 1.136 255 G CA 0.840 45.984 45.100 0.073 0.000 0.789 255 G HN -0.310 8.007 8.290 0.086 0.025 0.536 256 R N 0.309 120.795 120.500 -0.023 0.000 2.193 256 R HA -0.095 3.999 4.340 -0.411 0.000 0.213 256 R C -0.075 176.148 176.300 -0.128 0.000 1.055 256 R CA 0.483 56.424 56.100 -0.265 0.000 0.995 256 R CB 0.424 30.526 30.300 -0.331 0.000 0.893 256 R HN -0.474 7.637 8.270 0.009 0.165 0.459 257 V N -7.692 112.209 119.914 -0.020 0.000 3.113 257 V HA 0.397 4.505 4.120 -0.020 0.000 0.316 257 V C -1.113 174.988 176.094 0.013 0.000 1.125 257 V CA -2.112 60.184 62.300 -0.006 0.000 1.026 257 V CB 2.465 34.290 31.823 0.003 0.000 1.080 257 V HN -0.855 7.303 8.190 0.008 0.037 0.444 258 D N 0.504 120.908 120.400 0.006 0.000 3.245 258 D HA -0.310 4.329 4.640 -0.001 0.000 0.196 258 D C -1.159 175.148 176.300 0.013 0.000 1.370 258 D CA 2.269 56.270 54.000 0.002 0.000 1.087 258 D CB -0.386 40.405 40.800 -0.016 0.000 0.612 258 D HN 0.433 8.805 8.370 0.003 0.000 0.704 259 D N 1.562 121.968 120.400 0.008 0.000 2.670 259 D HA 0.149 4.800 4.640 0.020 0.000 0.255 259 D C -0.459 175.853 176.300 0.019 0.000 1.286 259 D CA -0.472 53.537 54.000 0.015 0.000 0.830 259 D CB -0.231 40.574 40.800 0.009 0.000 1.065 259 D HN -0.009 8.362 8.370 0.001 0.000 0.486 260 T N -2.443 112.127 114.554 0.026 0.000 2.860 260 T HA 0.186 4.765 4.350 0.033 -0.209 0.299 260 T C 0.464 175.188 174.700 0.040 0.000 1.045 260 T CA -0.684 61.437 62.100 0.035 0.000 1.071 260 T CB 1.193 70.088 68.868 0.046 0.000 0.985 260 T HN -0.636 7.620 8.240 0.026 0.000 0.537 261 S N 0.348 116.075 115.700 0.044 0.000 2.602 261 S HA 0.112 4.604 4.470 0.037 0.000 0.240 261 S C 0.028 174.665 174.600 0.062 0.000 0.992 261 S CA -0.963 57.264 58.200 0.045 0.000 0.971 261 S CB 0.116 63.340 63.200 0.041 0.000 0.855 261 S HN -0.126 8.558 8.310 0.047 -0.345 0.481 262 S N 2.992 118.734 115.700 0.069 0.000 2.537 262 S HA 0.051 4.770 4.470 0.095 -0.192 0.286 262 S C -1.153 173.488 174.600 0.068 0.000 1.299 262 S CA 1.625 59.874 58.200 0.082 0.000 1.067 262 S CB 0.404 63.657 63.200 0.088 0.000 0.864 262 S HN -0.383 7.908 8.310 0.067 0.059 0.494 263 A N 3.841 126.705 122.820 0.073 0.000 2.597 263 A HA 0.267 4.614 4.320 0.045 0.000 0.292 263 A C -2.316 175.319 177.584 0.086 0.000 1.057 263 A CA -0.183 51.898 52.037 0.075 0.000 0.674 263 A CB 2.959 22.030 19.000 0.119 0.000 1.278 263 A HN 0.129 8.339 8.150 0.100 0.000 0.416 264 F N -0.956 119.123 119.950 0.215 0.000 2.506 264 F HA 0.076 4.917 4.527 0.320 -0.121 0.351 264 F C 0.816 176.709 175.800 0.155 0.000 1.136 264 F CA 1.454 59.587 58.000 0.222 0.000 1.298 264 F CB 0.778 39.875 39.000 0.162 0.000 1.145 264 F HN -0.139 8.311 8.300 0.251 0.000 0.593 265 I N 3.631 124.382 120.570 0.302 0.000 2.472 265 I HA 0.083 4.335 4.170 0.137 0.000 0.290 265 I C -0.410 175.754 176.117 0.079 0.000 1.016 265 I CA -1.316 60.058 61.300 0.123 0.000 1.348 265 I CB -0.658 37.301 38.000 -0.068 0.000 1.417 265 I HN 0.092 8.498 8.210 0.326 0.000 0.521 266 T N 2.981 117.565 114.554 0.051 0.000 2.876 266 T HA 0.491 4.846 4.350 0.008 0.000 0.289 266 T C -1.996 172.701 174.700 -0.005 0.000 1.014 266 T CA -3.190 58.924 62.100 0.023 0.000 0.986 266 T CB 1.659 70.555 68.868 0.046 0.000 1.021 266 T HN -0.119 8.156 8.240 0.058 0.000 0.458 267 P HA 0.242 4.650 4.420 -0.019 0.000 0.278 267 P C -0.622 176.638 177.300 -0.065 0.000 1.266 267 P CA -0.825 62.256 63.100 -0.032 0.000 0.807 267 P CB 1.635 33.317 31.700 -0.029 0.000 1.094 268 R N -0.120 120.339 120.500 -0.067 0.000 2.643 268 R HA 0.012 4.285 4.340 -0.111 0.000 0.270 268 R C -0.536 175.708 176.300 -0.094 0.000 1.061 268 R CA -0.452 55.592 56.100 -0.093 0.000 1.107 268 R CB -0.617 29.629 30.300 -0.090 0.000 0.999 268 R HN 0.265 8.501 8.270 -0.057 0.000 0.460 269 P HA -0.079 4.293 4.420 -0.080 0.000 0.217 269 P C -0.807 176.455 177.300 -0.063 0.000 1.150 269 P CA 0.831 63.879 63.100 -0.087 0.000 0.832 269 P CB 0.463 32.106 31.700 -0.095 0.000 0.787 270 R N -5.684 114.775 120.500 -0.068 0.000 2.710 270 R HA 0.189 4.497 4.340 -0.053 0.000 0.270 270 R C 0.036 176.290 176.300 -0.076 0.000 1.021 270 R CA -1.076 54.989 56.100 -0.059 0.000 0.889 270 R CB 3.119 33.389 30.300 -0.049 0.000 1.243 270 R HN -0.699 7.525 8.270 -0.077 0.000 0.464 271 E N 0.775 120.929 120.200 -0.077 0.000 2.268 271 E HA -0.288 3.987 4.350 -0.125 0.000 0.195 271 E C -0.007 176.515 176.600 -0.131 0.000 0.995 271 E CA 2.593 58.928 56.400 -0.108 0.000 0.836 271 E CB 0.015 29.662 29.700 -0.088 0.000 0.763 271 E HN 0.551 8.872 8.360 -0.064 0.000 0.491 272 D N -5.295 115.049 120.400 -0.093 0.000 2.427 272 D HA 0.057 4.636 4.640 -0.103 0.000 0.224 272 D C -1.290 174.972 176.300 -0.062 0.000 1.157 272 D CA -0.904 53.045 54.000 -0.085 0.000 0.828 272 D CB -1.199 39.558 40.800 -0.071 0.000 0.974 272 D HN 0.080 8.367 8.370 -0.077 0.037 0.498 273 V N -1.942 117.932 119.914 -0.066 0.000 2.709 273 V HA 0.560 4.833 4.120 -0.005 -0.156 0.308 273 V C -2.178 173.892 176.094 -0.039 0.000 1.062 273 V CA -1.614 60.665 62.300 -0.035 0.000 0.901 273 V CB 3.984 35.781 31.823 -0.043 0.000 1.003 273 V HN -0.603 7.460 8.190 -0.085 0.076 0.425 274 L N 6.507 127.749 121.223 0.032 0.000 2.439 274 L HA 0.529 4.890 4.340 0.035 0.000 0.270 274 L C -2.584 174.411 176.870 0.208 0.000 0.972 274 L CA -1.128 53.772 54.840 0.099 0.000 0.836 274 L CB 3.983 46.121 42.059 0.132 0.000 1.255 274 L HN 0.550 8.823 8.230 0.071 0.000 0.404 275 R N 4.515 125.095 120.500 0.133 0.000 2.604 275 R HA 0.853 5.378 4.340 0.034 -0.165 0.287 275 R C -0.741 175.780 176.300 0.367 0.000 0.970 275 R CA -1.122 54.986 56.100 0.014 0.000 0.946 275 R CB 2.760 32.666 30.300 -0.656 0.000 1.127 275 R HN 0.248 8.566 8.270 0.080 0.000 0.473 276 F N -2.361 117.736 119.950 0.244 0.000 2.678 276 F HA 0.762 5.490 4.527 0.155 -0.108 0.308 276 F C -3.039 172.904 175.800 0.239 0.000 1.118 276 F CA -1.839 56.256 58.000 0.159 0.000 0.959 276 F CB 3.815 42.713 39.000 -0.169 0.000 1.305 276 F HN 0.712 9.011 8.300 -0.003 0.000 0.443 277 R N -1.708 118.966 120.500 0.290 0.000 2.599 277 R HA 1.009 5.594 4.340 0.067 -0.205 0.295 277 R C -1.633 174.761 176.300 0.156 0.000 0.963 277 R CA -1.914 54.283 56.100 0.162 0.000 0.883 277 R CB 3.585 33.986 30.300 0.168 0.000 1.171 277 R HN 0.602 9.049 8.270 0.294 0.000 0.450 278 I N 2.162 122.793 120.570 0.101 0.000 2.466 278 I HA 0.306 4.568 4.170 0.153 0.000 0.289 278 I C -1.305 174.859 176.117 0.077 0.000 1.026 278 I CA -3.351 58.029 61.300 0.133 0.000 1.078 278 I CB 2.092 40.205 38.000 0.189 0.000 1.249 278 I HN 0.519 8.750 8.210 0.035 0.000 0.429 279 D N 6.835 127.296 120.400 0.102 0.000 2.450 279 D HA -0.064 4.602 4.640 0.043 0.000 0.247 279 D C 0.367 176.727 176.300 0.100 0.000 1.162 279 D CA 1.144 55.191 54.000 0.078 0.000 0.879 279 D CB -0.052 40.794 40.800 0.078 0.000 1.163 279 D HN -0.317 8.121 8.370 0.113 0.000 0.472 280 V N 4.119 124.026 119.914 -0.013 0.000 2.901 280 V HA -0.212 3.736 4.120 -0.287 0.000 0.307 280 V C -0.373 175.707 176.094 -0.025 0.000 1.084 280 V CA 1.984 64.198 62.300 -0.142 0.000 1.184 280 V CB 0.582 32.304 31.823 -0.168 0.000 0.941 280 V HN 0.026 8.202 8.190 -0.023 0.000 0.493 281 F N 3.568 123.422 119.950 -0.161 0.000 2.715 281 F HA 0.600 5.027 4.527 -0.168 0.000 0.318 281 F C -2.078 173.595 175.800 -0.212 0.000 1.141 281 F CA -1.394 56.484 58.000 -0.204 0.000 0.950 281 F CB 2.147 40.961 39.000 -0.310 0.000 1.374 281 F HN -0.275 7.535 8.300 -0.817 0.000 0.477 282 R N -1.218 119.283 120.500 0.002 0.000 2.817 282 R HA 0.266 4.531 4.340 -0.126 0.000 0.268 282 R C -1.875 174.406 176.300 -0.031 0.000 1.027 282 R CA -1.091 54.982 56.100 -0.045 0.000 0.928 282 R CB 2.542 32.840 30.300 -0.003 0.000 1.228 282 R HN -0.003 8.302 8.270 0.059 0.000 0.469 283 F N 0.075 120.095 119.950 0.117 0.000 2.410 283 F HA 0.081 4.663 4.527 0.092 0.000 0.348 283 F C 0.453 176.280 175.800 0.046 0.000 1.106 283 F CA -0.496 57.559 58.000 0.092 0.000 1.163 283 F CB 0.932 39.994 39.000 0.103 0.000 1.129 283 F HN 0.421 8.924 8.300 0.339 0.000 0.516 284 A N 5.564 128.495 122.820 0.185 0.000 2.540 284 A HA -0.180 4.188 4.320 0.080 0.000 0.239 284 A C 0.852 178.507 177.584 0.118 0.000 1.061 284 A CA 1.264 53.366 52.037 0.108 0.000 0.758 284 A CB -0.253 18.787 19.000 0.065 0.000 0.991 284 A HN 0.333 8.579 8.150 0.159 0.000 0.502 285 G N 2.876 111.723 108.800 0.078 0.000 2.184 285 G HA2 -0.335 3.653 3.960 0.046 0.000 0.264 285 G HA3 -0.335 3.659 3.960 0.057 0.000 0.264 285 G C -1.091 173.848 174.900 0.066 0.000 0.975 285 G CA -0.035 45.101 45.100 0.061 0.000 0.642 285 G HN 0.358 8.686 8.290 0.064 0.000 0.536 286 D N 1.459 121.918 120.400 0.097 0.000 2.347 286 D HA 0.120 4.799 4.640 0.066 0.000 0.235 286 D C 0.288 176.631 176.300 0.072 0.000 1.149 286 D CA -1.294 52.760 54.000 0.090 0.000 0.850 286 D CB 0.818 41.699 40.800 0.135 0.000 1.061 286 D HN -0.647 7.734 8.370 0.126 0.064 0.487 287 N N 6.486 125.214 118.700 0.048 0.000 2.461 287 N HA -0.055 4.708 4.740 0.038 0.000 0.188 287 N C 0.366 175.902 175.510 0.042 0.000 1.134 287 N CA 0.478 53.550 53.050 0.036 0.000 0.878 287 N CB -0.237 38.260 38.487 0.016 0.000 0.972 287 N HN 0.485 8.889 8.380 0.040 0.000 0.456 288 R N -1.348 119.185 120.500 0.055 0.000 2.210 288 R HA -0.026 4.349 4.340 0.057 0.000 0.203 288 R C -0.348 175.991 176.300 0.064 0.000 1.010 288 R CA 0.356 56.493 56.100 0.061 0.000 1.008 288 R CB 0.232 30.574 30.300 0.069 0.000 0.923 288 R HN -0.802 7.804 8.270 0.061 -0.299 0.469 289 N N -2.395 116.347 118.700 0.070 0.000 2.671 289 N HA -0.315 4.469 4.740 0.072 0.000 0.261 289 N C -1.465 174.075 175.510 0.049 0.000 1.053 289 N CA 1.189 54.276 53.050 0.062 0.000 0.732 289 N CB -2.028 36.486 38.487 0.046 0.000 0.887 289 N HN -0.255 8.281 8.380 0.078 -0.109 0.546 290 L N -5.052 116.209 121.223 0.064 0.000 2.479 290 L HA 0.503 4.833 4.340 -0.018 0.000 0.255 290 L C -2.140 174.760 176.870 0.049 0.000 1.026 290 L CA -0.716 54.133 54.840 0.014 0.000 0.842 290 L CB 2.587 44.642 42.059 -0.007 0.000 1.444 290 L HN -1.018 7.433 8.230 0.100 -0.161 0.409 291 I N -5.783 114.756 120.570 -0.051 0.000 2.865 291 I HA 0.605 5.037 4.170 0.236 -0.121 0.302 291 I C -1.882 174.170 176.117 -0.109 0.000 1.140 291 I CA -2.561 58.776 61.300 0.062 0.000 1.021 291 I CB 3.834 41.846 38.000 0.021 0.000 1.233 291 I HN -0.328 7.800 8.210 -0.136 0.000 0.427 292 Y N 2.275 122.660 120.300 0.142 0.000 2.429 292 Y HA 0.247 4.870 4.550 0.123 0.000 0.342 292 Y C -1.425 174.573 175.900 0.164 0.000 1.004 292 Y CA -1.331 56.846 58.100 0.129 0.000 1.075 292 Y CB 4.127 42.647 38.460 0.100 0.000 1.214 292 Y HN 0.255 8.805 8.280 0.448 0.000 0.455 293 I N 1.503 122.247 120.570 0.289 0.000 2.418 293 I HA 0.433 4.940 4.170 0.280 -0.169 0.287 293 I C -0.860 175.396 176.117 0.231 0.000 1.008 293 I CA -0.883 60.570 61.300 0.255 0.000 1.104 293 I CB 2.457 40.584 38.000 0.211 0.000 1.264 293 I HN 0.209 8.581 8.210 0.269 0.000 0.438 294 T N 7.671 122.345 114.554 0.199 0.000 2.792 294 T HA 0.392 4.836 4.350 0.158 0.000 0.280 294 T C -1.465 173.317 174.700 0.137 0.000 0.990 294 T CA -1.827 60.365 62.100 0.153 0.000 0.960 294 T CB 1.611 70.547 68.868 0.113 0.000 0.939 294 T HN 0.388 8.748 8.240 0.200 0.000 0.439 295 c N 6.569 125.248 118.600 0.133 0.000 2.561 295 c HA 0.778 5.606 4.570 0.122 -0.185 0.319 295 c C -0.859 173.288 174.090 0.094 0.000 1.198 295 c CA -1.247 55.159 56.329 0.128 0.000 1.665 295 c CB 2.907 45.522 42.510 0.175 0.000 2.258 295 c HN 0.630 8.937 8.230 0.127 0.000 0.493 296 H N 4.343 123.410 119.070 -0.005 0.000 2.641 296 H HA 0.263 4.769 4.556 -0.083 0.000 0.295 296 H C -1.621 173.670 175.328 -0.062 0.000 1.070 296 H CA -0.522 55.492 56.048 -0.056 0.000 1.257 296 H CB 0.543 30.270 29.762 -0.058 0.000 1.393 296 H HN 0.518 8.903 8.280 0.175 0.000 0.464 297 L N 5.228 126.213 121.223 -0.397 0.000 2.334 297 L HA 0.549 5.002 4.340 -0.059 -0.148 0.275 297 L C -0.657 175.913 176.870 -0.501 0.000 1.036 297 L CA -1.034 53.632 54.840 -0.289 0.000 0.807 297 L CB 1.730 43.672 42.059 -0.194 0.000 1.231 297 L HN 0.421 8.326 8.230 -0.541 0.000 0.438 298 K N 0.394 120.734 120.400 -0.100 0.000 2.555 298 K HA 0.454 4.694 4.320 -0.133 0.000 0.279 298 K C -2.529 174.222 176.600 0.251 0.000 0.986 298 K CA -1.247 55.045 56.287 0.008 0.000 0.880 298 K CB 3.627 36.167 32.500 0.067 0.000 1.474 298 K HN 0.365 8.656 8.250 0.068 0.000 0.433 299 V N -3.576 116.502 119.914 0.273 0.000 2.864 299 V HA 0.961 5.381 4.120 0.228 -0.163 0.314 299 V C -0.849 175.364 176.094 0.197 0.000 1.073 299 V CA -2.694 59.746 62.300 0.234 0.000 0.956 299 V CB 3.683 35.614 31.823 0.181 0.000 1.023 299 V HN 0.273 8.614 8.190 0.251 0.000 0.435 300 T N -0.856 113.815 114.554 0.195 0.000 2.926 300 T HA 0.552 4.976 4.350 0.123 0.000 0.289 300 T C -2.330 172.429 174.700 0.098 0.000 1.054 300 T CA -3.957 58.235 62.100 0.153 0.000 1.015 300 T CB 0.564 69.553 68.868 0.202 0.000 1.167 300 T HN 0.325 8.682 8.240 0.195 0.000 0.526 301 P HA -0.159 4.286 4.420 0.042 0.000 0.265 301 P C 0.108 177.436 177.300 0.048 0.000 1.187 301 P CA 0.341 63.471 63.100 0.051 0.000 0.766 301 P CB 0.094 31.820 31.700 0.044 0.000 0.820 302 A N 4.682 127.517 122.820 0.025 0.000 1.908 302 A HA -0.380 4.011 4.320 -0.005 -0.073 0.218 302 A C 0.758 178.354 177.584 0.020 0.000 1.181 302 A CA 3.300 55.342 52.037 0.008 0.000 0.627 302 A CB -0.120 18.877 19.000 -0.006 0.000 0.818 302 A HN 0.126 8.289 8.150 0.021 0.000 0.445 303 D N -4.515 115.899 120.400 0.024 0.000 2.312 303 D HA -0.256 4.396 4.640 0.019 0.000 0.211 303 D C 0.656 176.977 176.300 0.036 0.000 0.964 303 D CA 0.608 54.623 54.000 0.025 0.000 0.877 303 D CB -0.842 39.970 40.800 0.020 0.000 0.924 303 D HN 0.123 8.508 8.370 0.024 0.000 0.515 304 Q N 0.750 120.581 119.800 0.051 0.000 2.373 304 Q HA -0.020 4.344 4.340 0.040 0.000 0.255 304 Q C 0.778 176.817 176.000 0.066 0.000 0.980 304 Q CA -0.184 55.652 55.803 0.054 0.000 0.882 304 Q CB 1.396 30.170 28.738 0.060 0.000 1.249 304 Q HN -0.716 7.537 8.270 0.057 0.051 0.438 305 G N 2.814 111.640 108.800 0.044 0.000 2.406 305 G HA2 0.040 4.029 3.960 0.048 0.000 0.251 305 G HA3 0.040 4.015 3.960 0.024 0.000 0.251 305 G C -2.222 172.700 174.900 0.037 0.000 1.271 305 G CA -1.405 43.719 45.100 0.039 0.000 0.859 305 G HN 0.350 8.660 8.290 0.032 0.000 0.540 306 P HA 0.003 4.493 4.420 -0.050 -0.100 0.267 306 P C -1.561 175.700 177.300 -0.063 0.000 1.200 306 P CA -0.101 62.992 63.100 -0.012 0.000 0.772 306 P CB 1.226 32.947 31.700 0.035 0.000 0.855 307 D N -0.014 120.307 120.400 -0.131 0.000 2.652 307 D HA 0.280 4.871 4.640 -0.080 0.000 0.285 307 D C -1.154 175.059 176.300 -0.145 0.000 1.173 307 D CA -2.071 51.864 54.000 -0.108 0.000 0.981 307 D CB -0.542 40.208 40.800 -0.083 0.000 1.440 307 D HN -0.335 7.914 8.370 -0.202 0.000 0.485 308 P HA -0.084 4.401 4.420 -0.127 -0.141 0.226 308 P C -0.301 176.915 177.300 -0.140 0.000 1.146 308 P CA 1.573 64.599 63.100 -0.123 0.000 0.773 308 P CB 0.272 31.911 31.700 -0.101 0.000 0.772 309 Q N -6.221 113.489 119.800 -0.151 0.000 2.373 309 Q HA 0.096 4.360 4.340 -0.126 0.000 0.210 309 Q C -0.925 174.936 176.000 -0.232 0.000 0.913 309 Q CA 0.071 55.783 55.803 -0.150 0.000 0.911 309 Q CB 1.520 30.191 28.738 -0.113 0.000 1.040 309 Q HN -0.236 8.144 8.270 -0.148 -0.200 0.521 310 N N -0.320 118.167 118.700 -0.355 0.000 2.617 310 N HA 0.259 4.554 4.740 -0.741 0.000 0.263 310 N C -2.232 172.640 175.510 -1.064 0.000 1.074 310 N CA -0.151 52.462 53.050 -0.728 0.000 0.841 310 N CB 2.597 40.732 38.487 -0.587 0.000 1.221 310 N HN -0.315 7.771 8.380 -0.310 0.108 0.529 311 K N -0.675 119.092 120.400 -1.055 0.000 2.658 311 K HA 0.262 4.315 4.320 -0.444 0.000 0.293 311 K C -3.130 173.363 176.600 -0.178 0.000 1.026 311 K CA -0.637 55.338 56.287 -0.520 0.000 0.871 311 K CB 3.087 35.441 32.500 -0.243 0.000 1.524 311 K HN -0.113 7.596 8.250 -0.901 0.000 0.400 312 A N 0.185 122.960 122.820 -0.075 0.000 2.410 312 A HA 0.679 4.876 4.320 -0.464 -0.156 0.289 312 A C -2.014 175.434 177.584 -0.228 0.000 1.200 312 A CA -1.046 50.715 52.037 -0.460 0.000 0.751 312 A CB 1.403 19.840 19.000 -0.939 0.000 1.161 312 A HN 0.349 8.496 8.150 -0.006 0.000 0.459 313 c N 3.139 121.812 118.600 0.121 0.000 2.456 313 c HA 0.744 5.674 4.570 0.306 -0.176 0.325 313 c C -0.748 173.760 174.090 0.697 0.000 1.217 313 c CA -1.749 54.804 56.329 0.374 0.000 1.687 313 c CB 2.940 45.631 42.510 0.301 0.000 2.270 313 c HN 0.639 8.988 8.230 0.199 0.000 0.499 314 S N 0.902 116.975 115.700 0.623 0.000 2.566 314 S HA 0.365 5.145 4.470 0.516 0.000 0.298 314 S C -1.857 172.925 174.600 0.304 0.000 1.083 314 S CA -1.180 57.313 58.200 0.488 0.000 0.978 314 S CB 2.927 66.322 63.200 0.326 0.000 1.073 314 S HN 0.345 8.957 8.310 0.503 0.000 0.491 315 F N 3.203 122.999 119.950 -0.256 0.000 2.404 315 F HA 0.327 4.566 4.527 -0.735 -0.152 0.339 315 F C -1.015 174.601 175.800 -0.307 0.000 1.105 315 F CA -0.727 56.865 58.000 -0.679 0.000 1.087 315 F CB 2.628 40.867 39.000 -1.269 0.000 1.143 315 F HN 0.541 8.880 8.300 0.065 0.000 0.491 316 N N 6.426 124.555 118.700 -0.952 0.000 2.479 316 N HA 0.221 4.734 4.740 -0.378 0.000 0.261 316 N C -0.072 174.908 175.510 -0.884 0.000 0.979 316 N CA -1.674 50.999 53.050 -0.628 0.000 0.930 316 N CB 1.237 39.500 38.487 -0.373 0.000 1.172 316 N HN 0.162 7.743 8.380 -1.332 0.000 0.499 317 K N 6.689 126.801 120.400 -0.480 0.000 2.057 317 K HA -0.282 3.861 4.320 -0.295 0.000 0.207 317 K C 1.345 177.822 176.600 -0.206 0.000 1.049 317 K CA 3.148 59.280 56.287 -0.259 0.000 0.931 317 K CB -0.294 32.204 32.500 -0.004 0.000 0.714 317 K HN 0.579 8.659 8.250 -0.282 0.000 0.440 318 A N -0.787 121.934 122.820 -0.165 0.000 1.884 318 A HA -0.188 4.088 4.320 -0.074 0.000 0.219 318 A C 1.179 178.690 177.584 -0.122 0.000 1.197 318 A CA 2.465 54.437 52.037 -0.110 0.000 0.637 318 A CB -0.488 18.460 19.000 -0.087 0.000 0.827 318 A HN -0.094 8.039 8.150 -0.159 -0.078 0.450 319 R N -4.039 116.352 120.500 -0.181 0.000 2.276 319 R HA -0.005 4.274 4.340 -0.102 0.000 0.196 319 R C -0.083 176.105 176.300 -0.186 0.000 0.961 319 R CA -0.404 55.603 56.100 -0.154 0.000 1.024 319 R CB 0.767 30.980 30.300 -0.144 0.000 0.940 319 R HN -0.674 7.690 8.270 -0.228 -0.231 0.480 320 N N -1.606 116.904 118.700 -0.317 0.000 2.756 320 N HA -0.257 4.295 4.740 -0.353 -0.024 0.248 320 N C -1.872 173.492 175.510 -0.243 0.000 1.062 320 N CA 1.209 54.102 53.050 -0.260 0.000 0.696 320 N CB -1.658 36.825 38.487 -0.007 0.000 0.946 320 N HN -0.213 7.762 8.380 -0.396 0.167 0.548 321 T N -8.290 105.919 114.554 -0.574 0.000 2.894 321 T HA 0.363 4.748 4.350 0.059 0.000 0.309 321 T C -1.710 172.831 174.700 -0.265 0.000 1.208 321 T CA -2.502 59.480 62.100 -0.197 0.000 1.016 321 T CB 3.155 71.985 68.868 -0.063 0.000 1.192 321 T HN -0.659 7.045 8.240 -0.895 0.000 0.491 322 W N 1.882 123.283 121.300 0.168 0.000 2.313 322 W HA 0.489 5.487 4.660 0.248 -0.189 0.328 322 W C -0.131 176.444 176.519 0.094 0.000 1.197 322 W CA -0.156 57.310 57.345 0.203 0.000 1.235 322 W CB 1.610 31.211 29.460 0.235 0.000 1.158 322 W HN 0.145 8.628 8.180 0.505 0.000 0.578 323 V N 3.928 124.047 119.914 0.343 0.000 2.569 323 V HA 0.359 4.583 4.120 0.173 0.000 0.301 323 V C -2.516 173.706 176.094 0.214 0.000 1.044 323 V CA -3.401 59.020 62.300 0.202 0.000 0.874 323 V CB 2.888 34.777 31.823 0.111 0.000 1.002 323 V HN 0.643 9.086 8.190 0.421 0.000 0.424 324 P HA 0.226 4.882 4.420 0.118 -0.165 0.278 324 P C -0.098 177.253 177.300 0.085 0.000 1.238 324 P CA -1.081 62.086 63.100 0.111 0.000 0.794 324 P CB 0.834 32.579 31.700 0.076 0.000 0.955 325 V N 1.700 121.643 119.914 0.049 0.000 2.407 325 V HA -0.390 3.762 4.120 0.053 0.000 0.248 325 V C -0.445 175.667 176.094 0.030 0.000 1.055 325 V CA 3.124 65.442 62.300 0.029 0.000 1.049 325 V CB 0.277 32.077 31.823 -0.038 0.000 0.662 325 V HN 0.604 8.803 8.190 0.015 0.000 0.455 326 E N -3.961 116.265 120.200 0.043 0.000 2.413 326 E HA 0.097 4.469 4.350 0.037 0.000 0.277 326 E C -1.339 175.295 176.600 0.056 0.000 0.958 326 E CA -0.967 55.461 56.400 0.046 0.000 0.779 326 E CB 2.799 32.523 29.700 0.040 0.000 1.278 326 E HN -0.522 7.871 8.360 0.056 0.000 0.456 327 G N 0.910 109.737 108.800 0.044 0.000 2.525 327 G HA2 -0.160 3.820 3.960 0.034 0.000 0.685 327 G HA3 -0.160 3.823 3.960 0.038 0.000 0.685 327 G C -1.062 173.857 174.900 0.031 0.000 1.290 327 G CA -0.632 44.490 45.100 0.037 0.000 0.915 327 G HN 0.125 8.437 8.290 0.038 0.000 0.548 328 S N -0.368 115.346 115.700 0.023 0.000 2.572 328 S HA 0.058 4.543 4.470 0.025 0.000 0.279 328 S C 1.173 175.792 174.600 0.031 0.000 1.341 328 S CA -0.692 57.521 58.200 0.023 0.000 1.043 328 S CB 1.033 64.242 63.200 0.014 0.000 0.887 328 S HN 0.247 8.568 8.310 0.018 0.000 0.516 329 R N 2.957 123.480 120.500 0.039 0.000 2.117 329 R HA -0.341 4.040 4.340 0.069 0.000 0.243 329 R C 1.104 177.439 176.300 0.059 0.000 1.143 329 R CA 3.377 59.511 56.100 0.057 0.000 0.968 329 R CB -0.266 30.067 30.300 0.055 0.000 0.863 329 R HN 0.696 8.987 8.270 0.035 0.000 0.444 330 D N -4.489 115.933 120.400 0.036 0.000 2.363 330 D HA -0.102 4.738 4.640 0.039 -0.177 0.220 330 D C 1.963 178.264 176.300 0.002 0.000 0.994 330 D CA 1.434 55.449 54.000 0.025 0.000 0.890 330 D CB -1.357 39.452 40.800 0.015 0.000 0.906 330 D HN 0.231 8.592 8.370 0.029 0.027 0.530 331 V N -0.365 119.548 119.914 -0.002 0.000 2.720 331 V HA -0.377 3.717 4.120 -0.042 0.000 0.256 331 V C 0.262 176.325 176.094 -0.052 0.000 1.082 331 V CA 2.567 64.849 62.300 -0.031 0.000 1.101 331 V CB 0.135 31.939 31.823 -0.031 0.000 0.693 331 V HN -0.592 7.555 8.190 0.009 0.048 0.479 332 c N -3.520 115.067 118.600 -0.021 0.000 2.696 332 c HA 0.062 4.557 4.570 -0.125 0.000 0.264 332 c C 1.577 175.574 174.090 -0.155 0.000 1.288 332 c CA -0.319 55.969 56.329 -0.068 0.000 1.717 332 c CB -2.357 40.211 42.510 0.097 0.000 1.893 332 c HN -0.520 7.681 8.230 0.019 0.041 0.577 333 N N 2.160 120.815 118.700 -0.074 0.000 2.091 333 N HA -0.279 4.453 4.740 -0.014 0.000 0.193 333 N C 1.713 177.129 175.510 -0.158 0.000 1.021 333 N CA 3.077 56.087 53.050 -0.068 0.000 0.862 333 N CB -0.901 37.566 38.487 -0.033 0.000 1.018 333 N HN -0.190 8.010 8.380 -0.041 0.155 0.429 334 c N -4.833 113.653 118.600 -0.189 0.000 2.419 334 c HA 0.159 4.610 4.570 -0.197 0.000 0.283 334 c C 2.095 175.978 174.090 -0.344 0.000 1.373 334 c CA 0.214 56.407 56.329 -0.227 0.000 1.781 334 c CB -2.331 40.064 42.510 -0.192 0.000 1.886 334 c HN 0.011 8.131 8.230 -0.166 0.011 0.520 335 c N 2.037 120.343 118.600 -0.489 0.000 2.413 335 c HA -0.272 3.987 4.570 -0.518 0.000 0.276 335 c C 2.324 176.070 174.090 -0.572 0.000 1.248 335 c CA 4.309 60.182 56.329 -0.761 0.000 1.742 335 c CB -1.816 39.641 42.510 -1.755 0.000 2.017 335 c HN 0.052 7.848 8.230 -0.488 0.140 0.481 336 E N -0.765 119.205 120.200 -0.383 0.000 2.152 336 E HA -0.185 4.265 4.350 0.166 0.000 0.192 336 E C 1.364 177.911 176.600 -0.088 0.000 0.983 336 E CA 2.521 58.919 56.400 -0.003 0.000 0.818 336 E CB -0.209 29.590 29.700 0.165 0.000 0.758 336 E HN -0.369 7.746 8.360 -0.407 0.000 0.467 337 T N -6.457 107.991 114.554 -0.178 0.000 2.985 337 T HA -0.094 4.178 4.350 -0.130 0.000 0.266 337 T C 1.291 175.806 174.700 -0.308 0.000 1.076 337 T CA 0.242 62.229 62.100 -0.188 0.000 1.135 337 T CB 0.572 69.338 68.868 -0.169 0.000 0.890 337 T HN -0.699 7.416 8.240 -0.208 0.000 0.480 338 G N 2.431 110.912 108.800 -0.532 0.000 2.132 338 G HA2 -0.397 2.553 3.960 -1.684 0.000 0.228 338 G HA3 -0.397 3.103 3.960 -0.768 0.000 0.228 338 G C -1.482 172.772 174.900 -1.077 0.000 1.000 338 G CA -0.041 44.427 45.100 -1.053 0.000 0.693 338 G HN -0.266 7.712 8.290 -0.519 0.000 0.515 339 N N -0.859 117.445 118.700 -0.661 0.000 2.542 339 N HA 0.158 4.642 4.740 -0.427 0.000 0.288 339 N C -1.554 173.798 175.510 -0.263 0.000 1.115 339 N CA 0.111 52.916 53.050 -0.407 0.000 0.924 339 N CB 1.954 40.288 38.487 -0.255 0.000 1.526 339 N HN -0.686 7.371 8.380 -0.538 0.000 0.515 340 c N 2.591 121.084 118.600 -0.179 0.000 3.000 340 c HA 0.199 4.686 4.570 -0.139 0.000 0.286 340 c C -0.616 173.421 174.090 -0.089 0.000 1.343 340 c CA -1.677 54.578 56.329 -0.123 0.000 1.742 340 c CB -0.711 41.743 42.510 -0.093 0.000 2.200 340 c HN 0.532 8.677 8.230 -0.142 0.000 0.621 341 E N 1.531 121.683 120.200 -0.079 0.000 2.373 341 E HA 0.125 4.562 4.350 -0.060 -0.123 0.267 341 E C -1.912 174.648 176.600 -0.066 0.000 1.032 341 E CA -2.317 54.044 56.400 -0.065 0.000 0.889 341 E CB 0.128 29.795 29.700 -0.055 0.000 0.984 341 E HN -0.715 7.775 8.360 -0.086 -0.182 0.425 342 P HA 0.374 4.760 4.420 -0.056 0.000 0.298 342 P C -2.595 174.678 177.300 -0.045 0.000 1.365 342 P CA -1.919 61.149 63.100 -0.053 0.000 0.835 342 P CB 0.483 32.153 31.700 -0.050 0.000 0.948 343 P HA 0.000 4.399 4.420 -0.035 0.000 0.216 343 P CA 0.000 63.078 63.100 -0.037 0.000 0.800 343 P CB 0.000 31.677 31.700 -0.039 0.000 0.726