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 2v4d_1_F DATA FIRST_RESID 13 DATA SEQUENCE PEVGIVTLEA QTVTLNTELP GRTNAFRIAE VRPQVNGIIL KRLFKEGSDV DATA SEQUENCE KAGQQLYQID PATYEADYQS AQANLASTQE QAQRYKLLVA DQAVSKQQYA DATA SEQUENCE DANAAYLQSK AAVEQARINL RYTKVLSPIS GRIGRSAVTE GALVTNGQAN DATA SEQUENCE AMATVQQLDP IYVDVTQPST ALLRLRRELA SGQLERAGDN AAKVSLKLED DATA SEQUENCE GSQYPLEGRL EFSEVSVDEG TGSVTIRAVF PNPNNELLPG MFVHAQLQEG DATA SEQUENCE VKQKAILAPQ QGVTRDLKGQ ATALVVNAQN KVELRVIKAD RVIGDKWLVT DATA SEQUENCE EGLNAGDKII TEGLQFVQPG VEVKTVP 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 13 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 13 P C 0.000 177.297 177.300 -0.006 0.000 1.155 13 P CA 0.000 63.097 63.100 -0.006 0.000 0.800 13 P CB 0.000 31.696 31.700 -0.006 0.000 0.726 14 E N -0.011 120.185 120.200 -0.006 0.000 2.367 14 E HA 0.888 5.238 4.350 0.000 0.000 0.273 14 E C -1.056 175.540 176.600 -0.008 0.000 0.903 14 E CA -0.184 56.212 56.400 -0.006 0.000 0.764 14 E CB 2.246 31.943 29.700 -0.005 0.000 1.252 14 E HN 1.009 9.369 8.360 -0.000 0.000 0.446 15 V N -0.926 118.983 119.914 -0.008 0.000 3.167 15 V HA 0.942 5.062 4.120 0.000 0.000 0.310 15 V C 0.540 176.629 176.094 -0.009 0.000 1.207 15 V CA -0.427 61.867 62.300 -0.010 0.000 1.059 15 V CB 2.438 34.254 31.823 -0.012 0.000 1.079 15 V HN 1.216 9.406 8.190 -0.000 0.000 0.446 16 G N 0.447 109.241 108.800 -0.010 0.000 3.005 16 G HA2 0.736 4.696 3.960 0.000 0.000 0.342 16 G HA3 0.736 4.696 3.960 0.000 0.000 0.342 16 G C -0.327 174.567 174.900 -0.011 0.000 1.101 16 G CA 0.542 45.636 45.100 -0.009 0.000 1.225 16 G HN 1.905 10.195 8.290 -0.000 0.000 0.462 17 I N 0.199 120.763 120.570 -0.009 0.000 2.662 17 I HA 0.851 5.021 4.170 0.000 0.000 0.291 17 I C 0.377 176.490 176.117 -0.007 0.000 1.046 17 I CA -0.954 60.340 61.300 -0.010 0.000 1.361 17 I CB 0.867 38.861 38.000 -0.009 0.000 1.429 17 I HN 0.872 9.082 8.210 -0.000 0.000 0.558 18 V N 3.147 123.057 119.914 -0.007 0.000 2.531 18 V HA 0.841 4.961 4.120 0.000 0.000 0.301 18 V C 0.599 176.692 176.094 -0.001 0.000 1.034 18 V CA -0.371 61.927 62.300 -0.003 0.000 0.865 18 V CB 1.152 32.974 31.823 -0.002 0.000 0.995 18 V HN 1.755 9.945 8.190 -0.000 0.000 0.424 19 T N 3.304 117.859 114.554 0.001 0.000 2.751 19 T HA 0.716 5.066 4.350 0.000 0.000 0.290 19 T C 0.101 174.804 174.700 0.005 0.000 0.919 19 T CA 0.552 62.654 62.100 0.002 0.000 1.136 19 T CB -0.396 68.473 68.868 0.003 0.000 0.875 19 T HN 2.308 10.548 8.240 -0.000 0.000 0.532 20 L N 3.218 124.444 121.223 0.005 0.000 2.367 20 L HA 0.733 5.073 4.340 0.000 0.000 0.275 20 L C 0.314 177.190 176.870 0.010 0.000 1.129 20 L CA -0.599 54.246 54.840 0.009 0.000 0.839 20 L CB -0.391 41.673 42.059 0.009 0.000 1.133 20 L HN 0.912 9.142 8.230 -0.000 0.000 0.453 21 E N 2.864 123.072 120.200 0.012 0.000 2.340 21 E HA 0.690 5.040 4.350 0.000 0.000 0.273 21 E C -0.508 176.100 176.600 0.014 0.000 0.891 21 E CA -0.735 55.673 56.400 0.012 0.000 0.757 21 E CB 2.108 31.814 29.700 0.010 0.000 1.231 21 E HN 1.088 9.448 8.360 -0.000 0.000 0.439 22 A N 2.519 125.347 122.820 0.013 0.000 2.522 22 A HA 0.069 4.389 4.320 0.000 0.000 0.256 22 A C -0.037 177.556 177.584 0.014 0.000 1.086 22 A CA 0.454 52.499 52.037 0.014 0.000 0.763 22 A CB 0.279 19.287 19.000 0.012 0.000 1.024 22 A HN 0.553 8.703 8.150 -0.000 0.000 0.502 23 Q N 1.243 121.052 119.800 0.016 0.000 2.351 23 Q HA 0.517 4.857 4.340 0.000 0.000 0.273 23 Q C -1.049 174.960 176.000 0.015 0.000 1.077 23 Q CA -0.578 55.234 55.803 0.016 0.000 0.843 23 Q CB 1.793 30.542 28.738 0.018 0.000 1.367 23 Q HN 0.605 8.875 8.270 -0.000 0.000 0.449 24 T N 1.787 116.349 114.554 0.013 0.000 2.832 24 T HA 0.368 4.718 4.350 0.000 0.000 0.313 24 T C -0.938 173.770 174.700 0.013 0.000 1.035 24 T CA -0.325 61.783 62.100 0.012 0.000 0.950 24 T CB 0.743 69.618 68.868 0.011 0.000 0.984 24 T HN 0.346 8.586 8.240 -0.000 0.000 0.486 25 V N 3.578 123.500 119.914 0.013 0.000 2.715 25 V HA 0.736 4.856 4.120 0.000 0.000 0.310 25 V C 0.094 176.195 176.094 0.012 0.000 1.054 25 V CA -0.474 61.834 62.300 0.013 0.000 0.928 25 V CB 2.214 34.045 31.823 0.014 0.000 1.007 25 V HN 0.818 9.008 8.190 -0.000 0.000 0.437 26 T N 6.557 121.117 114.554 0.011 0.000 2.837 26 T HA 0.533 4.883 4.350 0.000 0.000 0.285 26 T C -0.523 174.183 174.700 0.010 0.000 0.984 26 T CA -0.460 61.647 62.100 0.012 0.000 1.049 26 T CB 0.424 69.299 68.868 0.012 0.000 0.947 26 T HN 0.580 8.820 8.240 -0.000 0.000 0.472 27 L N 5.962 127.192 121.223 0.012 0.000 2.270 27 L HA 0.456 4.796 4.340 0.000 0.000 0.286 27 L C -0.150 176.730 176.870 0.016 0.000 1.059 27 L CA -0.823 54.023 54.840 0.011 0.000 0.839 27 L CB 0.067 42.132 42.059 0.010 0.000 1.221 27 L HN 0.733 8.963 8.230 -0.000 0.000 0.431 28 N N 0.786 119.494 118.700 0.015 0.000 2.249 28 N HA 0.552 5.292 4.740 0.000 0.000 0.296 28 N C -0.965 174.557 175.510 0.021 0.000 1.051 28 N CA -0.613 52.451 53.050 0.023 0.000 0.815 28 N CB 2.113 40.614 38.487 0.023 0.000 1.487 28 N HN 0.096 8.476 8.380 -0.000 0.000 0.475 29 T N 0.586 115.161 114.554 0.034 0.000 2.863 29 T HA 0.370 4.720 4.350 0.000 0.000 0.285 29 T C -0.992 173.742 174.700 0.056 0.000 1.009 29 T CA -0.642 61.480 62.100 0.036 0.000 0.989 29 T CB 1.134 70.026 68.868 0.039 0.000 1.004 29 T HN 0.459 8.699 8.240 -0.000 0.000 0.455 30 E N 2.580 122.818 120.200 0.064 0.000 2.133 30 E HA 0.355 4.705 4.350 0.000 0.000 0.274 30 E C -0.810 175.883 176.600 0.155 0.000 0.930 30 E CA -0.479 55.991 56.400 0.116 0.000 0.770 30 E CB 1.544 31.301 29.700 0.094 0.000 1.104 30 E HN 0.424 8.784 8.360 -0.000 0.000 0.403 31 L N 5.999 127.305 121.223 0.138 0.000 2.277 31 L HA 0.348 4.688 4.340 0.000 0.000 0.284 31 L C -2.073 174.792 176.870 -0.007 0.000 1.028 31 L CA -2.078 52.806 54.840 0.073 0.000 0.835 31 L CB 0.890 42.973 42.059 0.040 0.000 1.215 31 L HN 0.215 8.445 8.230 -0.000 0.000 0.425 32 P HA 0.306 4.726 4.420 -0.000 0.000 0.271 32 P C -0.208 176.953 177.300 -0.233 0.000 1.218 32 P CA 0.131 62.916 63.100 -0.526 0.000 0.780 32 P CB 1.927 33.345 31.700 -0.470 0.000 0.901 33 G N 1.351 110.029 108.800 -0.204 0.000 2.506 33 G HA2 0.457 4.417 3.960 0.000 0.000 0.292 33 G HA3 0.457 4.417 3.960 0.000 0.000 0.292 33 G C -1.631 173.279 174.900 0.017 0.000 1.425 33 G CA -0.835 44.233 45.100 -0.054 0.000 0.788 33 G HN 0.426 8.716 8.290 -0.000 0.000 0.490 34 R N -0.324 120.206 120.500 0.050 0.000 2.711 34 R HA 0.672 5.012 4.340 0.000 0.000 0.284 34 R C 0.194 176.507 176.300 0.021 0.000 0.968 34 R CA -0.584 55.547 56.100 0.051 0.000 0.924 34 R CB 1.864 32.215 30.300 0.085 0.000 1.162 34 R HN 0.753 9.023 8.270 -0.000 0.000 0.465 35 T N -0.174 114.366 114.554 -0.022 0.000 2.904 35 T HA 0.375 4.725 4.350 0.000 0.000 0.290 35 T C 0.040 174.755 174.700 0.024 0.000 1.018 35 T CA -0.707 61.393 62.100 0.000 0.000 1.075 35 T CB 0.800 69.635 68.868 -0.056 0.000 0.986 35 T HN 0.394 8.634 8.240 -0.000 0.000 0.523 36 N N -0.198 118.550 118.700 0.081 0.000 2.484 36 N HA 0.495 5.235 4.740 0.000 0.000 0.269 36 N C -0.834 174.731 175.510 0.091 0.000 1.237 36 N CA -0.639 52.466 53.050 0.091 0.000 0.838 36 N CB 2.256 40.827 38.487 0.139 0.000 1.593 36 N HN 1.003 9.383 8.380 -0.000 0.000 0.485 37 A N 0.831 123.683 122.820 0.052 0.000 2.531 37 A HA 0.045 4.365 4.320 0.000 0.000 0.236 37 A C 0.925 178.508 177.584 -0.001 0.000 1.062 37 A CA 0.075 52.126 52.037 0.024 0.000 0.760 37 A CB -0.260 18.748 19.000 0.014 0.000 0.995 37 A HN 0.689 8.839 8.150 -0.000 0.000 0.501 38 F N 1.450 121.224 119.950 -0.293 0.000 2.234 38 F HA 0.060 4.587 4.527 0.000 0.000 0.299 38 F C 1.192 176.825 175.800 -0.278 0.000 1.087 38 F CA 1.814 59.468 58.000 -0.577 0.000 1.340 38 F CB 0.035 38.750 39.000 -0.475 0.000 1.031 38 F HN 0.647 8.947 8.300 -0.000 0.000 0.500 39 R N 0.052 120.498 120.500 -0.090 0.000 2.604 39 R HA 0.470 4.810 4.340 0.000 0.000 0.261 39 R C -1.954 174.322 176.300 -0.040 0.000 1.080 39 R CA -0.527 55.505 56.100 -0.114 0.000 0.917 39 R CB 1.335 31.556 30.300 -0.132 0.000 1.252 39 R HN 0.027 8.297 8.270 -0.000 0.000 0.456 40 I N 2.421 122.969 120.570 -0.037 0.000 2.608 40 I HA 0.710 4.880 4.170 0.000 0.000 0.295 40 I C -0.606 175.496 176.117 -0.024 0.000 1.049 40 I CA -0.896 60.390 61.300 -0.022 0.000 1.063 40 I CB 2.209 40.202 38.000 -0.012 0.000 1.248 40 I HN 0.742 8.952 8.210 -0.000 0.000 0.424 41 A N 4.641 127.447 122.820 -0.023 0.000 2.498 41 A HA 0.751 5.071 4.320 0.000 0.000 0.298 41 A C -1.193 176.379 177.584 -0.020 0.000 1.075 41 A CA -0.590 51.434 52.037 -0.023 0.000 0.714 41 A CB 1.826 20.810 19.000 -0.026 0.000 1.299 41 A HN 0.724 8.874 8.150 -0.000 0.000 0.407 42 E N 0.052 120.243 120.200 -0.015 0.000 2.207 42 E HA 0.562 4.912 4.350 0.000 0.000 0.270 42 E C -1.194 175.402 176.600 -0.007 0.000 0.927 42 E CA -0.806 55.588 56.400 -0.010 0.000 0.799 42 E CB 2.244 31.939 29.700 -0.008 0.000 1.172 42 E HN 0.408 8.768 8.360 -0.000 0.000 0.404 43 V N 3.010 122.926 119.914 0.005 0.000 2.370 43 V HA 0.523 4.643 4.120 0.000 0.000 0.283 43 V C -0.100 175.998 176.094 0.006 0.000 1.023 43 V CA -0.631 61.682 62.300 0.022 0.000 0.857 43 V CB 0.992 32.857 31.823 0.070 0.000 0.985 43 V HN 0.612 8.802 8.190 -0.000 0.000 0.443 44 R N 4.515 125.009 120.500 -0.010 0.000 2.740 44 R HA 0.606 4.946 4.340 0.000 0.000 0.273 44 R C -2.878 173.388 176.300 -0.057 0.000 0.998 44 R CA -1.598 54.475 56.100 -0.044 0.000 0.900 44 R CB 2.819 33.093 30.300 -0.043 0.000 1.223 44 R HN 0.513 8.783 8.270 -0.000 0.000 0.466 45 P HA 0.171 4.591 4.420 -0.000 0.000 0.281 45 P C -0.992 176.227 177.300 -0.135 0.000 1.249 45 P CA -0.373 62.672 63.100 -0.091 0.000 0.810 45 P CB 1.235 32.877 31.700 -0.096 0.000 1.008 46 Q N 0.189 119.872 119.800 -0.195 0.000 2.112 46 Q HA 0.304 4.644 4.340 0.000 0.000 0.222 46 Q C -0.038 175.720 176.000 -0.403 0.000 0.798 46 Q CA -0.253 55.306 55.803 -0.408 0.000 1.060 46 Q CB 1.050 29.288 28.738 -0.834 0.000 1.184 46 Q HN 0.401 8.671 8.270 -0.000 0.000 0.475 47 V N -3.162 116.630 119.914 -0.204 0.000 3.178 47 V HA 0.550 4.670 4.120 0.000 0.000 0.302 47 V C -1.195 174.902 176.094 0.005 0.000 1.262 47 V CA -1.317 60.901 62.300 -0.137 0.000 1.030 47 V CB 2.023 33.666 31.823 -0.299 0.000 1.074 47 V HN -0.005 8.185 8.190 -0.000 0.000 0.438 48 N N 1.104 119.884 118.700 0.132 0.000 2.524 48 N HA 0.863 5.603 4.740 0.000 0.000 0.283 48 N C 0.244 175.880 175.510 0.209 0.000 1.142 48 N CA 0.794 53.922 53.050 0.129 0.000 0.984 48 N CB 1.749 40.295 38.487 0.099 0.000 1.155 48 N HN 1.492 9.872 8.380 -0.000 0.000 0.467 49 G N -0.071 108.794 108.800 0.108 0.000 2.327 49 G HA2 0.213 4.173 3.960 0.000 0.000 0.291 49 G HA3 0.213 4.173 3.960 0.000 0.000 0.291 49 G C -1.804 173.125 174.900 0.049 0.000 1.290 49 G CA -0.634 44.526 45.100 0.099 0.000 0.857 49 G HN 0.310 8.600 8.290 -0.000 0.000 0.520 50 I N 1.100 121.697 120.570 0.046 0.000 2.441 50 I HA 0.399 4.569 4.170 0.000 0.000 0.295 50 I C 0.236 176.379 176.117 0.043 0.000 0.994 50 I CA -1.054 60.264 61.300 0.030 0.000 1.144 50 I CB 1.552 39.564 38.000 0.021 0.000 1.314 50 I HN 0.307 8.517 8.210 -0.000 0.000 0.445 51 I N 6.624 127.214 120.570 0.035 0.000 2.505 51 I HA 0.030 4.200 4.170 0.000 0.000 0.287 51 I C 1.287 177.449 176.117 0.074 0.000 1.104 51 I CA 0.347 61.684 61.300 0.062 0.000 1.387 51 I CB 0.614 38.652 38.000 0.063 0.000 1.404 51 I HN 0.522 8.732 8.210 -0.000 0.000 0.528 52 L N 6.099 127.374 121.223 0.087 0.000 2.062 52 L HA 0.040 4.380 4.340 0.000 0.000 0.202 52 L C 0.944 177.857 176.870 0.072 0.000 1.079 52 L CA 1.081 55.962 54.840 0.069 0.000 0.755 52 L CB 0.036 42.134 42.059 0.065 0.000 0.913 52 L HN 0.540 8.770 8.230 -0.000 0.000 0.445 53 K N -0.387 120.069 120.400 0.094 0.000 2.385 53 K HA 0.363 4.684 4.320 0.000 0.000 0.248 53 K C -0.557 176.112 176.600 0.115 0.000 0.955 53 K CA -0.682 55.650 56.287 0.074 0.000 0.816 53 K CB 2.456 34.982 32.500 0.043 0.000 1.250 53 K HN -0.116 8.134 8.250 -0.000 0.000 0.434 54 R N 3.092 123.605 120.500 0.021 0.000 2.664 54 R HA 0.141 4.481 4.340 0.000 0.000 0.281 54 R C -0.617 175.539 176.300 -0.239 0.000 1.383 54 R CA -0.499 55.529 56.100 -0.119 0.000 1.563 54 R CB -0.109 30.096 30.300 -0.159 0.000 1.131 54 R HN 0.414 8.684 8.270 -0.000 0.000 0.599 55 L N 3.552 124.715 121.223 -0.100 0.000 2.697 55 L HA 0.263 4.603 4.340 0.000 0.000 0.239 55 L C -0.408 176.480 176.870 0.030 0.000 1.430 55 L CA 0.177 54.987 54.840 -0.050 0.000 1.193 55 L CB -1.575 40.487 42.059 0.005 0.000 1.516 55 L HN 0.302 8.532 8.230 -0.000 0.000 0.439 56 F N -2.312 117.543 119.950 -0.158 0.000 2.665 56 F HA 0.567 5.094 4.527 0.000 0.000 0.308 56 F C -0.463 175.277 175.800 -0.099 0.000 1.112 56 F CA -1.606 56.316 58.000 -0.130 0.000 0.972 56 F CB 1.311 40.212 39.000 -0.165 0.000 1.295 56 F HN -0.078 8.222 8.300 -0.000 0.000 0.440 57 K N 3.049 123.470 120.400 0.035 0.000 2.285 57 K HA 0.191 4.511 4.320 0.000 0.000 0.286 57 K C -0.382 176.265 176.600 0.078 0.000 1.072 57 K CA -0.248 56.016 56.287 -0.040 0.000 0.913 57 K CB 0.604 33.106 32.500 0.004 0.000 1.067 57 K HN 0.831 9.081 8.250 -0.000 0.000 0.479 58 E N 2.296 122.472 120.200 -0.041 0.000 2.558 58 E HA -0.068 4.282 4.350 0.000 0.000 0.255 58 E C 0.755 177.414 176.600 0.098 0.000 0.968 58 E CA 0.974 57.435 56.400 0.102 0.000 0.939 58 E CB 0.257 29.970 29.700 0.021 0.000 0.921 58 E HN 0.986 9.346 8.360 -0.000 0.000 0.477 59 G N 2.664 111.541 108.800 0.128 0.000 2.175 59 G HA2 -0.325 3.635 3.960 0.000 0.000 0.244 59 G HA3 -0.325 3.635 3.960 0.000 0.000 0.244 59 G C 0.462 175.399 174.900 0.062 0.000 0.982 59 G CA 0.354 45.497 45.100 0.072 0.000 0.641 59 G HN 0.667 8.957 8.290 -0.000 0.000 0.527 60 S N -0.484 115.270 115.700 0.090 0.000 2.646 60 S HA 0.650 5.120 4.470 0.000 0.000 0.273 60 S C -0.433 174.189 174.600 0.036 0.000 1.168 60 S CA -0.299 57.938 58.200 0.062 0.000 1.013 60 S CB 1.613 64.861 63.200 0.080 0.000 1.098 60 S HN 0.129 8.439 8.310 -0.000 0.000 0.544 61 D N 0.923 121.336 120.400 0.020 0.000 2.308 61 D HA 0.520 5.160 4.640 0.000 0.000 0.242 61 D C -0.457 175.838 176.300 -0.009 0.000 1.059 61 D CA -0.286 53.713 54.000 -0.001 0.000 0.830 61 D CB 1.835 42.633 40.800 -0.002 0.000 1.161 61 D HN 0.566 8.936 8.370 -0.000 0.000 0.494 62 V N -0.482 119.411 119.914 -0.035 0.000 2.815 62 V HA 0.603 4.723 4.120 0.000 0.000 0.314 62 V C -0.175 175.894 176.094 -0.041 0.000 1.064 62 V CA -0.933 61.338 62.300 -0.049 0.000 0.952 62 V CB 2.234 33.992 31.823 -0.109 0.000 1.020 62 V HN 0.227 8.417 8.190 -0.000 0.000 0.439 63 K N 2.191 122.571 120.400 -0.034 0.000 2.138 63 K HA 0.763 5.083 4.320 0.000 0.000 0.263 63 K C 0.103 176.685 176.600 -0.030 0.000 0.965 63 K CA -0.276 55.996 56.287 -0.025 0.000 0.868 63 K CB 1.909 34.399 32.500 -0.017 0.000 1.083 63 K HN 1.092 9.342 8.250 -0.000 0.000 0.443 64 A N 1.209 124.014 122.820 -0.024 0.000 2.546 64 A HA 0.375 4.695 4.320 0.000 0.000 0.243 64 A C 1.177 178.749 177.584 -0.021 0.000 1.063 64 A CA 1.057 53.080 52.037 -0.024 0.000 0.757 64 A CB -0.710 18.280 19.000 -0.016 0.000 0.991 64 A HN 0.957 9.107 8.150 -0.000 0.000 0.503 65 G N 0.710 109.497 108.800 -0.022 0.000 2.195 65 G HA2 -0.220 3.740 3.960 0.000 0.000 0.224 65 G HA3 -0.220 3.740 3.960 0.000 0.000 0.224 65 G C 0.387 175.276 174.900 -0.018 0.000 0.990 65 G CA 0.360 45.449 45.100 -0.019 0.000 0.639 65 G HN 1.069 9.359 8.290 -0.000 0.000 0.514 66 Q N 0.915 120.701 119.800 -0.023 0.000 2.296 66 Q HA 0.389 4.729 4.340 0.000 0.000 0.262 66 Q C 0.594 176.584 176.000 -0.017 0.000 0.981 66 Q CA -0.221 55.570 55.803 -0.021 0.000 0.905 66 Q CB 0.435 29.155 28.738 -0.030 0.000 1.186 66 Q HN 0.541 8.811 8.270 -0.000 0.000 0.399 67 Q N 3.867 123.667 119.800 0.001 0.000 2.274 67 Q HA -0.001 4.339 4.340 0.000 0.000 0.280 67 Q C -0.139 175.871 176.000 0.016 0.000 1.047 67 Q CA 0.229 56.044 55.803 0.020 0.000 0.907 67 Q CB 0.575 29.331 28.738 0.031 0.000 1.171 67 Q HN 0.823 9.093 8.270 -0.000 0.000 0.381 68 L N 3.503 124.739 121.223 0.022 0.000 2.537 68 L HA 0.246 4.586 4.340 0.000 0.000 0.224 68 L C -0.246 176.551 176.870 -0.120 0.000 1.065 68 L CA 0.058 54.863 54.840 -0.059 0.000 0.860 68 L CB 0.318 42.245 42.059 -0.219 0.000 1.086 68 L HN 0.660 8.890 8.230 -0.000 0.000 0.482 69 Y N -0.852 119.532 120.300 0.140 0.000 2.644 69 Y HA 0.530 5.080 4.550 0.000 0.000 0.338 69 Y C -0.553 175.396 175.900 0.080 0.000 1.119 69 Y CA -1.051 57.126 58.100 0.127 0.000 1.060 69 Y CB 1.625 40.156 38.460 0.119 0.000 1.294 69 Y HN -0.216 8.064 8.280 -0.000 0.000 0.472 70 Q N 1.652 121.613 119.800 0.269 0.000 2.295 70 Q HA 0.506 4.846 4.340 0.000 0.000 0.259 70 Q C -1.995 174.091 176.000 0.143 0.000 0.966 70 Q CA -0.090 55.809 55.803 0.159 0.000 0.763 70 Q CB 1.039 29.845 28.738 0.112 0.000 1.283 70 Q HN 0.637 8.907 8.270 -0.000 0.000 0.445 71 I N 2.502 123.147 120.570 0.126 0.000 2.428 71 I HA 0.167 4.337 4.170 0.000 0.000 0.289 71 I C 0.244 176.438 176.117 0.127 0.000 1.019 71 I CA -0.674 60.697 61.300 0.118 0.000 1.351 71 I CB 0.983 39.057 38.000 0.122 0.000 1.412 71 I HN 0.682 8.892 8.210 -0.000 0.000 0.513 72 D N 9.226 129.690 120.400 0.106 0.000 2.455 72 D HA -0.030 4.610 4.640 0.000 0.000 0.265 72 D C -1.463 174.914 176.300 0.128 0.000 1.284 72 D CA -1.225 52.827 54.000 0.088 0.000 0.944 72 D CB 0.809 41.639 40.800 0.050 0.000 1.121 72 D HN 0.281 8.651 8.370 -0.000 0.000 0.525 73 P HA 0.066 4.486 4.420 -0.000 0.000 0.253 73 P C 0.912 178.284 177.300 0.120 0.000 1.260 73 P CA 0.025 63.235 63.100 0.183 0.000 0.800 73 P CB 0.348 32.127 31.700 0.132 0.000 1.162 74 A N 1.380 124.234 122.820 0.056 0.000 1.869 74 A HA -0.210 4.110 4.320 0.000 0.000 0.218 74 A C 2.218 179.800 177.584 -0.003 0.000 1.203 74 A CA 2.994 55.043 52.037 0.021 0.000 0.638 74 A CB -1.852 17.146 19.000 -0.002 0.000 0.831 74 A HN 0.285 8.435 8.150 -0.000 0.000 0.450 75 T N -1.872 112.630 114.554 -0.087 0.000 2.851 75 T HA -0.046 4.304 4.350 0.000 0.000 0.262 75 T C 1.809 176.460 174.700 -0.082 0.000 1.043 75 T CA 1.393 63.413 62.100 -0.133 0.000 1.140 75 T CB -0.465 68.247 68.868 -0.260 0.000 0.872 75 T HN 0.435 8.675 8.240 -0.000 0.000 0.446 76 Y N 1.936 122.263 120.300 0.045 0.000 2.128 76 Y HA -0.096 4.454 4.550 0.000 0.000 0.284 76 Y C 2.714 178.665 175.900 0.085 0.000 1.154 76 Y CA 1.120 59.253 58.100 0.056 0.000 1.149 76 Y CB -0.750 37.734 38.460 0.039 0.000 0.976 76 Y HN 0.209 8.489 8.280 -0.000 0.000 0.505 77 E N 0.407 120.745 120.200 0.229 0.000 2.153 77 E HA -0.178 4.172 4.350 0.000 0.000 0.194 77 E C 2.146 178.854 176.600 0.181 0.000 0.988 77 E CA 1.343 57.859 56.400 0.194 0.000 0.811 77 E CB -0.395 29.386 29.700 0.135 0.000 0.746 77 E HN 0.335 8.695 8.360 -0.000 0.000 0.466 78 A N 0.745 123.634 122.820 0.115 0.000 1.872 78 A HA -0.142 4.178 4.320 0.000 0.000 0.214 78 A C 1.941 179.573 177.584 0.079 0.000 1.187 78 A CA 1.637 53.717 52.037 0.072 0.000 0.614 78 A CB -0.644 18.373 19.000 0.027 0.000 0.826 78 A HN 0.276 8.426 8.150 -0.000 0.000 0.442 79 D N -1.463 118.997 120.400 0.100 0.000 2.144 79 D HA -0.163 4.477 4.640 0.000 0.000 0.199 79 D C 1.672 178.057 176.300 0.142 0.000 0.984 79 D CA 1.564 55.625 54.000 0.103 0.000 0.834 79 D CB -0.466 40.407 40.800 0.121 0.000 0.955 79 D HN 0.571 8.941 8.370 -0.000 0.000 0.465 80 Y N 1.906 122.243 120.300 0.062 0.000 2.145 80 Y HA -0.219 4.331 4.550 0.000 0.000 0.286 80 Y C 2.228 178.146 175.900 0.030 0.000 1.145 80 Y CA 1.568 59.697 58.100 0.047 0.000 1.148 80 Y CB -0.264 38.228 38.460 0.053 0.000 0.981 80 Y HN -0.142 8.138 8.280 -0.000 0.000 0.507 81 Q N -0.298 119.464 119.800 -0.064 0.000 2.124 81 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 81 Q C 2.614 178.529 176.000 -0.141 0.000 0.977 81 Q CA 1.528 57.228 55.803 -0.171 0.000 0.850 81 Q CB -0.898 27.823 28.738 -0.030 0.000 0.901 81 Q HN 0.504 8.774 8.270 -0.000 0.000 0.429 82 S N 0.490 116.152 115.700 -0.063 0.000 2.348 82 S HA -0.157 4.313 4.470 0.000 0.000 0.221 82 S C 1.996 176.555 174.600 -0.068 0.000 1.033 82 S CA 1.416 59.588 58.200 -0.046 0.000 1.010 82 S CB -0.207 62.986 63.200 -0.011 0.000 0.891 82 S HN 0.421 8.731 8.310 -0.000 0.000 0.442 83 A N 1.154 123.934 122.820 -0.067 0.000 1.869 83 A HA -0.249 4.071 4.320 0.000 0.000 0.218 83 A C 2.157 179.671 177.584 -0.117 0.000 1.203 83 A CA 2.152 54.149 52.037 -0.067 0.000 0.638 83 A CB -1.231 17.754 19.000 -0.024 0.000 0.831 83 A HN 0.754 8.904 8.150 -0.000 0.000 0.450 84 Q N -0.870 118.791 119.800 -0.232 0.000 2.197 84 Q HA -0.167 4.173 4.340 0.000 0.000 0.207 84 Q C 2.412 178.337 176.000 -0.125 0.000 0.984 84 Q CA 1.363 57.033 55.803 -0.220 0.000 0.869 84 Q CB -0.446 28.067 28.738 -0.375 0.000 0.906 84 Q HN 0.729 8.999 8.270 -0.000 0.000 0.426 85 A N 1.528 124.282 122.820 -0.110 0.000 1.858 85 A HA -0.287 4.033 4.320 0.000 0.000 0.216 85 A C 1.837 179.394 177.584 -0.045 0.000 1.190 85 A CA 1.851 53.848 52.037 -0.066 0.000 0.617 85 A CB -0.907 18.060 19.000 -0.055 0.000 0.827 85 A HN 0.455 8.605 8.150 -0.000 0.000 0.443 86 N N -0.192 118.481 118.700 -0.044 0.000 2.036 86 N HA -0.198 4.542 4.740 0.000 0.000 0.195 86 N C 1.614 177.115 175.510 -0.016 0.000 1.037 86 N CA 1.978 55.011 53.050 -0.029 0.000 0.855 86 N CB -0.417 38.052 38.487 -0.030 0.000 1.033 86 N HN 0.330 8.710 8.380 -0.000 0.000 0.423 87 L N 0.711 121.921 121.223 -0.022 0.000 1.971 87 L HA -0.061 4.279 4.340 0.000 0.000 0.215 87 L C 2.227 179.125 176.870 0.047 0.000 1.072 87 L CA 2.400 57.246 54.840 0.010 0.000 0.758 87 L CB -1.517 40.533 42.059 -0.015 0.000 0.889 87 L HN 0.287 8.517 8.230 -0.000 0.000 0.433 88 A N -1.217 121.611 122.820 0.013 0.000 1.958 88 A HA -0.318 4.002 4.320 0.000 0.000 0.221 88 A C 2.517 180.108 177.584 0.012 0.000 1.178 88 A CA 2.524 54.569 52.037 0.014 0.000 0.642 88 A CB -1.307 17.687 19.000 -0.011 0.000 0.816 88 A HN 0.686 8.836 8.150 -0.000 0.000 0.453 89 S N -0.757 114.944 115.700 0.002 0.000 2.336 89 S HA -0.175 4.295 4.470 0.000 0.000 0.214 89 S C 2.339 176.934 174.600 -0.008 0.000 1.032 89 S CA 2.717 60.912 58.200 -0.009 0.000 1.001 89 S CB -1.113 62.077 63.200 -0.017 0.000 0.953 89 S HN 0.884 9.194 8.310 -0.000 0.000 0.430 90 T N 0.235 114.796 114.554 0.012 0.000 2.685 90 T HA -0.288 4.062 4.350 0.000 0.000 0.268 90 T C 2.011 176.744 174.700 0.056 0.000 1.034 90 T CA 2.024 64.140 62.100 0.026 0.000 1.149 90 T CB -1.089 67.821 68.868 0.069 0.000 0.860 90 T HN 0.648 8.888 8.240 -0.000 0.000 0.449 91 Q N 0.854 120.741 119.800 0.145 0.000 2.014 91 Q HA -0.251 4.089 4.340 0.000 0.000 0.207 91 Q C 2.544 178.470 176.000 -0.123 0.000 0.993 91 Q CA 2.053 57.868 55.803 0.020 0.000 0.850 91 Q CB -0.281 28.533 28.738 0.125 0.000 0.916 91 Q HN 0.625 8.895 8.270 -0.000 0.000 0.417 92 E N 0.371 120.537 120.200 -0.057 0.000 2.033 92 E HA -0.308 4.042 4.350 0.000 0.000 0.199 92 E C 1.979 178.530 176.600 -0.083 0.000 1.011 92 E CA 2.044 58.407 56.400 -0.061 0.000 0.815 92 E CB -0.336 29.343 29.700 -0.035 0.000 0.755 92 E HN 0.451 8.811 8.360 -0.000 0.000 0.451 93 Q N 0.650 120.385 119.800 -0.108 0.000 2.118 93 Q HA -0.229 4.111 4.340 0.000 0.000 0.211 93 Q C 1.913 177.767 176.000 -0.243 0.000 0.998 93 Q CA 2.978 58.657 55.803 -0.207 0.000 0.872 93 Q CB -0.744 27.851 28.738 -0.239 0.000 0.925 93 Q HN 0.315 8.585 8.270 -0.000 0.000 0.414 94 A N 0.013 122.729 122.820 -0.173 0.000 1.832 94 A HA -0.251 4.069 4.320 0.000 0.000 0.214 94 A C 2.054 179.663 177.584 0.041 0.000 1.200 94 A CA 1.722 53.702 52.037 -0.094 0.000 0.610 94 A CB -0.901 17.976 19.000 -0.204 0.000 0.842 94 A HN 0.610 8.760 8.150 -0.000 0.000 0.444 95 Q N -0.982 118.778 119.800 -0.066 0.000 2.242 95 Q HA -0.282 4.058 4.340 0.000 0.000 0.211 95 Q C 2.316 178.343 176.000 0.046 0.000 0.992 95 Q CA 2.079 57.869 55.803 -0.022 0.000 0.889 95 Q CB -0.244 28.451 28.738 -0.072 0.000 0.913 95 Q HN 0.674 8.944 8.270 -0.000 0.000 0.422 96 R N -0.537 120.001 120.500 0.064 0.000 2.057 96 R HA -0.146 4.194 4.340 0.000 0.000 0.229 96 R C 1.847 178.288 176.300 0.236 0.000 1.136 96 R CA 1.159 57.330 56.100 0.117 0.000 0.952 96 R CB -0.161 30.206 30.300 0.113 0.000 0.848 96 R HN 0.222 8.492 8.270 -0.000 0.000 0.430 97 Y N 1.384 121.733 120.300 0.081 0.000 2.315 97 Y HA -0.193 4.357 4.550 0.000 0.000 0.288 97 Y C 2.152 178.110 175.900 0.096 0.000 1.154 97 Y CA 1.143 59.328 58.100 0.141 0.000 1.229 97 Y CB -0.326 38.282 38.460 0.247 0.000 0.980 97 Y HN 0.116 8.396 8.280 -0.000 0.000 0.540 98 K N -0.019 120.505 120.400 0.206 0.000 2.283 98 K HA -0.083 4.237 4.320 0.000 0.000 0.202 98 K C 1.485 177.960 176.600 -0.209 0.000 1.048 98 K CA 0.765 56.905 56.287 -0.245 0.000 0.948 98 K CB -0.138 32.322 32.500 -0.066 0.000 0.742 98 K HN 0.323 8.573 8.250 -0.000 0.000 0.458 99 L N 0.407 121.590 121.223 -0.066 0.000 2.554 99 L HA 0.041 4.381 4.340 0.000 0.000 0.225 99 L C 1.802 178.632 176.870 -0.066 0.000 1.104 99 L CA 0.031 54.832 54.840 -0.065 0.000 0.866 99 L CB 0.022 42.066 42.059 -0.026 0.000 1.047 99 L HN 0.138 8.368 8.230 -0.000 0.000 0.468 100 L N -0.265 120.921 121.223 -0.062 0.000 2.162 100 L HA -0.065 4.275 4.340 0.000 0.000 0.205 100 L C 2.580 179.380 176.870 -0.117 0.000 1.086 100 L CA 0.712 55.499 54.840 -0.088 0.000 0.778 100 L CB -0.370 41.614 42.059 -0.125 0.000 0.928 100 L HN 0.189 8.419 8.230 -0.000 0.000 0.446 101 V N -2.273 117.553 119.914 -0.148 0.000 2.427 101 V HA -0.103 4.017 4.120 0.000 0.000 0.248 101 V C 2.677 178.697 176.094 -0.124 0.000 1.051 101 V CA 1.327 63.544 62.300 -0.139 0.000 1.048 101 V CB -1.376 30.338 31.823 -0.182 0.000 0.666 101 V HN 0.300 8.490 8.190 -0.000 0.000 0.456 102 A N 0.255 122.991 122.820 -0.139 0.000 2.084 102 A HA -0.207 4.113 4.320 0.000 0.000 0.221 102 A C 1.583 179.123 177.584 -0.073 0.000 1.161 102 A CA 2.076 54.050 52.037 -0.106 0.000 0.653 102 A CB -0.532 18.407 19.000 -0.102 0.000 0.802 102 A HN 0.652 8.802 8.150 -0.000 0.000 0.457 103 D N -0.994 119.364 120.400 -0.070 0.000 2.623 103 D HA 0.169 4.809 4.640 0.000 0.000 0.252 103 D C 0.052 176.320 176.300 -0.053 0.000 1.294 103 D CA -0.000 53.968 54.000 -0.053 0.000 0.824 103 D CB 0.412 41.185 40.800 -0.045 0.000 1.070 103 D HN 0.306 8.676 8.370 -0.000 0.000 0.487 104 Q N -0.786 118.978 119.800 -0.059 0.000 2.264 104 Q HA -0.299 4.041 4.340 0.000 0.000 0.207 104 Q C 1.423 177.386 176.000 -0.062 0.000 0.702 104 Q CA 1.174 56.945 55.803 -0.054 0.000 1.411 104 Q CB -2.109 26.606 28.738 -0.040 0.000 1.717 104 Q HN 0.460 8.730 8.270 -0.000 0.000 0.683 105 A N 0.115 122.893 122.820 -0.071 0.000 2.131 105 A HA 0.152 4.472 4.320 0.000 0.000 0.220 105 A C 1.104 178.619 177.584 -0.115 0.000 1.158 105 A CA 1.491 53.481 52.037 -0.079 0.000 0.665 105 A CB 0.299 19.255 19.000 -0.074 0.000 0.795 105 A HN 0.339 8.489 8.150 -0.000 0.000 0.460 106 V N -0.369 119.464 119.914 -0.134 0.000 2.969 106 V HA 0.472 4.592 4.120 0.000 0.000 0.304 106 V C 0.018 176.047 176.094 -0.109 0.000 1.192 106 V CA -0.292 61.901 62.300 -0.178 0.000 0.962 106 V CB 2.148 33.746 31.823 -0.374 0.000 1.045 106 V HN 0.592 8.782 8.190 -0.000 0.000 0.428 107 S N 4.867 120.521 115.700 -0.076 0.000 2.573 107 S HA 0.216 4.686 4.470 0.000 0.000 0.277 107 S C 0.890 175.501 174.600 0.018 0.000 1.346 107 S CA 0.160 58.346 58.200 -0.024 0.000 1.034 107 S CB 0.751 63.946 63.200 -0.009 0.000 0.879 107 S HN 0.835 9.145 8.310 -0.000 0.000 0.528 108 K N 0.457 120.881 120.400 0.040 0.000 2.209 108 K HA -0.169 4.151 4.320 0.000 0.000 0.204 108 K C 2.288 178.959 176.600 0.119 0.000 1.048 108 K CA 1.393 57.738 56.287 0.097 0.000 0.940 108 K CB -0.224 32.320 32.500 0.072 0.000 0.729 108 K HN 0.687 8.937 8.250 -0.000 0.000 0.451 109 Q N 1.610 121.452 119.800 0.071 0.000 2.020 109 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 109 Q C 1.839 177.886 176.000 0.079 0.000 0.982 109 Q CA 1.787 57.627 55.803 0.061 0.000 0.838 109 Q CB -0.104 28.659 28.738 0.040 0.000 0.899 109 Q HN 0.301 8.571 8.270 -0.000 0.000 0.423 110 Q N -1.254 118.597 119.800 0.085 0.000 2.030 110 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 110 Q C 1.955 178.105 176.000 0.249 0.000 0.986 110 Q CA 1.752 57.639 55.803 0.139 0.000 0.843 110 Q CB -0.474 28.287 28.738 0.039 0.000 0.904 110 Q HN 0.528 8.798 8.270 -0.000 0.000 0.420 111 Y N 0.964 121.340 120.300 0.127 0.000 2.256 111 Y HA -0.262 4.288 4.550 0.000 0.000 0.288 111 Y C 2.031 178.019 175.900 0.146 0.000 1.155 111 Y CA 1.140 59.357 58.100 0.195 0.000 1.203 111 Y CB -0.457 38.055 38.460 0.087 0.000 0.980 111 Y HN 0.105 8.385 8.280 -0.000 0.000 0.530 112 A N 0.391 123.182 122.820 -0.048 0.000 1.835 112 A HA -0.197 4.123 4.320 0.000 0.000 0.215 112 A C 2.076 179.586 177.584 -0.122 0.000 1.199 112 A CA 1.893 53.856 52.037 -0.124 0.000 0.615 112 A CB -1.052 17.951 19.000 0.005 0.000 0.838 112 A HN 0.529 8.679 8.150 -0.000 0.000 0.444 113 D N 0.269 120.653 120.400 -0.027 0.000 2.172 113 D HA -0.176 4.464 4.640 0.000 0.000 0.196 113 D C 2.164 178.439 176.300 -0.043 0.000 0.999 113 D CA 1.602 55.594 54.000 -0.013 0.000 0.856 113 D CB -0.418 40.402 40.800 0.032 0.000 0.934 113 D HN 0.456 8.826 8.370 -0.000 0.000 0.453 114 A N 1.645 124.432 122.820 -0.056 0.000 1.828 114 A HA -0.219 4.101 4.320 0.000 0.000 0.215 114 A C 2.020 179.520 177.584 -0.139 0.000 1.203 114 A CA 1.554 53.521 52.037 -0.116 0.000 0.614 114 A CB -0.934 18.002 19.000 -0.106 0.000 0.844 114 A HN 0.180 8.330 8.150 -0.000 0.000 0.445 115 N N 0.527 119.046 118.700 -0.302 0.000 2.334 115 N HA -0.171 4.569 4.740 0.000 0.000 0.187 115 N C 1.732 177.227 175.510 -0.025 0.000 1.016 115 N CA 1.427 54.365 53.050 -0.186 0.000 0.879 115 N CB -0.249 37.985 38.487 -0.423 0.000 0.965 115 N HN 0.434 8.814 8.380 -0.000 0.000 0.438 116 A N 0.800 123.578 122.820 -0.070 0.000 1.841 116 A HA 0.057 4.377 4.320 0.000 0.000 0.214 116 A C 2.445 180.018 177.584 -0.018 0.000 1.195 116 A CA 1.812 53.828 52.037 -0.035 0.000 0.611 116 A CB -1.074 17.904 19.000 -0.037 0.000 0.835 116 A HN 0.382 8.532 8.150 -0.000 0.000 0.443 117 A N -1.447 121.364 122.820 -0.014 0.000 1.933 117 A HA -0.123 4.197 4.320 0.000 0.000 0.218 117 A C 2.133 179.720 177.584 0.005 0.000 1.175 117 A CA 1.792 53.822 52.037 -0.012 0.000 0.628 117 A CB -0.894 18.096 19.000 -0.016 0.000 0.814 117 A HN 0.818 8.968 8.150 -0.000 0.000 0.444 118 Y N 0.712 120.967 120.300 -0.075 0.000 2.114 118 Y HA -0.224 4.327 4.550 -0.000 0.000 0.282 118 Y C 1.871 177.747 175.900 -0.040 0.000 1.165 118 Y CA 1.935 59.999 58.100 -0.060 0.000 1.148 118 Y CB -0.459 37.962 38.460 -0.064 0.000 0.972 118 Y HN 0.225 8.505 8.280 -0.000 0.000 0.504 119 L N -0.034 121.039 121.223 -0.250 0.000 2.056 119 L HA -0.258 4.082 4.340 0.000 0.000 0.207 119 L C 2.615 179.347 176.870 -0.229 0.000 1.078 119 L CA 1.690 56.340 54.840 -0.316 0.000 0.749 119 L CB -0.725 41.267 42.059 -0.112 0.000 0.901 119 L HN 0.293 8.523 8.230 -0.000 0.000 0.433 120 Q N -0.450 119.270 119.800 -0.134 0.000 2.061 120 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 120 Q C 2.401 178.338 176.000 -0.104 0.000 0.984 120 Q CA 1.936 57.684 55.803 -0.092 0.000 0.846 120 Q CB -0.206 28.499 28.738 -0.055 0.000 0.902 120 Q HN 0.460 8.730 8.270 -0.000 0.000 0.421 121 S N 1.086 116.710 115.700 -0.127 0.000 2.344 121 S HA -0.196 4.274 4.470 0.000 0.000 0.217 121 S C 1.808 176.323 174.600 -0.141 0.000 1.033 121 S CA 1.335 59.469 58.200 -0.110 0.000 1.017 121 S CB -0.330 62.817 63.200 -0.089 0.000 0.941 121 S HN 0.288 8.598 8.310 -0.000 0.000 0.430 122 K N 1.241 121.483 120.400 -0.265 0.000 2.144 122 K HA -0.231 4.089 4.320 0.000 0.000 0.209 122 K C 2.073 178.594 176.600 -0.133 0.000 1.047 122 K CA 1.353 57.494 56.287 -0.243 0.000 0.927 122 K CB -0.358 31.877 32.500 -0.442 0.000 0.716 122 K HN 0.340 8.590 8.250 -0.000 0.000 0.454 123 A N 0.748 123.492 122.820 -0.127 0.000 1.841 123 A HA -0.087 4.233 4.320 0.000 0.000 0.214 123 A C 2.355 179.921 177.584 -0.030 0.000 1.195 123 A CA 1.873 53.869 52.037 -0.068 0.000 0.611 123 A CB -1.090 17.872 19.000 -0.064 0.000 0.835 123 A HN 0.462 8.612 8.150 -0.000 0.000 0.443 124 A N -0.553 122.250 122.820 -0.028 0.000 1.917 124 A HA -0.089 4.231 4.320 0.000 0.000 0.219 124 A C 2.260 179.867 177.584 0.037 0.000 1.182 124 A CA 2.102 54.141 52.037 0.004 0.000 0.633 124 A CB -1.147 17.850 19.000 -0.004 0.000 0.819 124 A HN 0.444 8.594 8.150 -0.000 0.000 0.448 125 V N 0.041 119.970 119.914 0.025 0.000 2.255 125 V HA -0.278 3.842 4.120 0.000 0.000 0.247 125 V C 2.647 178.825 176.094 0.140 0.000 1.051 125 V CA 2.533 64.882 62.300 0.081 0.000 1.018 125 V CB -0.794 31.047 31.823 0.031 0.000 0.641 125 V HN 0.736 8.926 8.190 -0.000 0.000 0.445 126 E N 0.292 120.534 120.200 0.069 0.000 2.118 126 E HA -0.285 4.065 4.350 0.000 0.000 0.195 126 E C 2.115 178.743 176.600 0.046 0.000 0.992 126 E CA 1.895 58.327 56.400 0.053 0.000 0.804 126 E CB -0.370 29.340 29.700 0.016 0.000 0.741 126 E HN 0.604 8.964 8.360 -0.000 0.000 0.458 127 Q N -0.243 119.586 119.800 0.049 0.000 2.123 127 Q HA 0.060 4.400 4.340 0.000 0.000 0.199 127 Q C 1.940 177.981 176.000 0.068 0.000 0.966 127 Q CA 1.859 57.692 55.803 0.049 0.000 0.845 127 Q CB -0.589 28.175 28.738 0.045 0.000 0.907 127 Q HN 0.311 8.581 8.270 -0.000 0.000 0.439 128 A N 0.690 123.580 122.820 0.117 0.000 1.877 128 A HA -0.216 4.104 4.320 0.000 0.000 0.216 128 A C 2.167 179.788 177.584 0.063 0.000 1.186 128 A CA 1.663 53.804 52.037 0.174 0.000 0.620 128 A CB -0.726 18.466 19.000 0.319 0.000 0.822 128 A HN 0.429 8.579 8.150 -0.000 0.000 0.443 129 R N -0.191 120.318 120.500 0.014 0.000 2.096 129 R HA -0.166 4.174 4.340 0.000 0.000 0.240 129 R C 1.996 178.156 176.300 -0.233 0.000 1.139 129 R CA 2.087 58.008 56.100 -0.300 0.000 0.952 129 R CB -0.483 29.733 30.300 -0.140 0.000 0.854 129 R HN 0.585 8.855 8.270 -0.000 0.000 0.436 130 I N 1.140 121.640 120.570 -0.117 0.000 2.179 130 I HA -0.309 3.861 4.170 0.000 0.000 0.242 130 I C 1.942 178.016 176.117 -0.073 0.000 1.088 130 I CA 1.221 62.447 61.300 -0.123 0.000 1.357 130 I CB -0.527 37.471 38.000 -0.004 0.000 1.051 130 I HN 0.265 8.475 8.210 -0.000 0.000 0.409 131 N N 0.837 119.522 118.700 -0.025 0.000 2.120 131 N HA -0.171 4.569 4.740 0.000 0.000 0.188 131 N C 1.840 177.167 175.510 -0.306 0.000 1.024 131 N CA 1.156 54.134 53.050 -0.120 0.000 0.852 131 N CB -0.454 37.929 38.487 -0.175 0.000 1.003 131 N HN 0.199 8.579 8.380 -0.000 0.000 0.424 132 L N 2.008 123.093 121.223 -0.229 0.000 2.017 132 L HA -0.078 4.262 4.340 0.000 0.000 0.208 132 L C 2.357 179.111 176.870 -0.193 0.000 1.073 132 L CA 1.577 56.300 54.840 -0.193 0.000 0.745 132 L CB -0.790 41.145 42.059 -0.207 0.000 0.894 132 L HN 0.062 8.292 8.230 -0.000 0.000 0.432 133 R N -1.795 118.558 120.500 -0.246 0.000 2.117 133 R HA -0.242 4.098 4.340 0.000 0.000 0.243 133 R C 2.108 178.272 176.300 -0.226 0.000 1.143 133 R CA 1.880 57.821 56.100 -0.266 0.000 0.968 133 R CB -0.419 29.653 30.300 -0.380 0.000 0.863 133 R HN 0.421 8.691 8.270 -0.000 0.000 0.444 134 Y N 0.191 120.388 120.300 -0.172 0.000 2.616 134 Y HA -0.096 4.454 4.550 0.000 0.000 0.296 134 Y C 2.396 178.213 175.900 -0.138 0.000 1.154 134 Y CA 1.423 59.433 58.100 -0.151 0.000 1.325 134 Y CB -0.224 38.130 38.460 -0.176 0.000 1.007 134 Y HN 0.259 8.539 8.280 -0.000 0.000 0.542 135 T N -2.575 111.967 114.554 -0.020 0.000 2.995 135 T HA -0.074 4.276 4.350 0.000 0.000 0.269 135 T C 0.791 175.525 174.700 0.056 0.000 1.091 135 T CA 0.478 62.586 62.100 0.012 0.000 1.128 135 T CB -0.187 68.706 68.868 0.043 0.000 0.891 135 T HN 0.120 8.360 8.240 -0.000 0.000 0.492 136 K N 2.444 122.866 120.400 0.036 0.000 2.229 136 K HA 0.445 4.765 4.320 0.000 0.000 0.247 136 K C -0.715 175.928 176.600 0.072 0.000 1.117 136 K CA -0.456 55.863 56.287 0.052 0.000 1.036 136 K CB 1.063 33.572 32.500 0.016 0.000 1.654 136 K HN 0.128 8.378 8.250 -0.000 0.000 0.405 137 V N 4.510 124.497 119.914 0.121 0.000 2.644 137 V HA -0.040 4.080 4.120 0.000 0.000 0.305 137 V C 0.441 176.600 176.094 0.109 0.000 1.053 137 V CA 0.444 62.827 62.300 0.139 0.000 1.186 137 V CB -0.173 31.790 31.823 0.233 0.000 0.895 137 V HN 0.527 8.717 8.190 -0.000 0.000 0.490 138 L N 3.388 124.652 121.223 0.070 0.000 2.333 138 L HA 0.523 4.863 4.340 0.000 0.000 0.263 138 L C 0.162 177.036 176.870 0.007 0.000 1.014 138 L CA -0.560 54.297 54.840 0.028 0.000 0.820 138 L CB 2.046 44.109 42.059 0.008 0.000 1.352 138 L HN 0.549 8.779 8.230 -0.000 0.000 0.421 139 S N 2.189 117.872 115.700 -0.028 0.000 2.481 139 S HA 0.228 4.698 4.470 0.000 0.000 0.276 139 S C -1.246 173.336 174.600 -0.031 0.000 1.247 139 S CA -1.307 56.863 58.200 -0.051 0.000 1.053 139 S CB 0.775 63.921 63.200 -0.090 0.000 0.925 139 S HN 0.458 8.768 8.310 -0.000 0.000 0.491 140 P HA -0.012 4.408 4.420 -0.000 0.000 0.220 140 P C 0.485 177.772 177.300 -0.021 0.000 1.148 140 P CA 1.003 64.093 63.100 -0.017 0.000 0.803 140 P CB -0.234 31.458 31.700 -0.013 0.000 0.782 141 I N -5.717 114.836 120.570 -0.029 0.000 3.279 141 I HA 0.532 4.702 4.170 0.000 0.000 0.315 141 I C -0.910 175.190 176.117 -0.028 0.000 1.187 141 I CA -1.353 59.933 61.300 -0.023 0.000 0.953 141 I CB 2.152 40.140 38.000 -0.020 0.000 1.279 141 I HN -0.425 7.785 8.210 -0.000 0.000 0.465 142 S N 0.682 116.372 115.700 -0.016 0.000 2.585 142 S HA 0.895 5.365 4.470 0.000 0.000 0.277 142 S C 0.065 174.656 174.600 -0.015 0.000 1.241 142 S CA 0.366 58.556 58.200 -0.018 0.000 1.041 142 S CB 1.231 64.427 63.200 -0.007 0.000 0.987 142 S HN 1.198 9.508 8.310 -0.000 0.000 0.512 143 G N 1.671 110.457 108.800 -0.024 0.000 2.345 143 G HA2 0.258 4.218 3.960 0.000 0.000 0.285 143 G HA3 0.258 4.218 3.960 0.000 0.000 0.285 143 G C -1.549 173.334 174.900 -0.029 0.000 1.297 143 G CA -1.086 44.002 45.100 -0.020 0.000 0.875 143 G HN 0.702 8.992 8.290 -0.000 0.000 0.506 144 R N 0.013 120.500 120.500 -0.022 0.000 2.207 144 R HA 0.671 5.011 4.340 0.000 0.000 0.334 144 R C -0.420 175.865 176.300 -0.026 0.000 1.013 144 R CA -0.634 55.456 56.100 -0.016 0.000 0.858 144 R CB 0.732 31.029 30.300 -0.005 0.000 1.094 144 R HN 0.640 8.910 8.270 -0.000 0.000 0.457 145 I N 4.610 125.156 120.570 -0.040 0.000 2.385 145 I HA 0.436 4.606 4.170 0.000 0.000 0.294 145 I C 0.457 176.597 176.117 0.037 0.000 0.988 145 I CA -0.178 61.080 61.300 -0.069 0.000 1.265 145 I CB 1.449 39.291 38.000 -0.262 0.000 1.388 145 I HN 0.866 9.076 8.210 -0.000 0.000 0.480 146 G N 6.355 115.189 108.800 0.056 0.000 2.783 146 G HA2 0.258 4.218 3.960 0.000 0.000 0.182 146 G HA3 0.258 4.218 3.960 0.000 0.000 0.182 146 G C -0.498 174.514 174.900 0.187 0.000 1.516 146 G CA -0.811 44.349 45.100 0.101 0.000 1.079 146 G HN 0.773 9.063 8.290 -0.000 0.000 0.573 147 R N -0.463 120.120 120.500 0.138 0.000 2.267 147 R HA 0.473 4.813 4.340 0.000 0.000 0.319 147 R C -0.088 176.325 176.300 0.189 0.000 1.067 147 R CA -0.094 56.089 56.100 0.138 0.000 0.936 147 R CB 1.025 31.371 30.300 0.077 0.000 1.006 147 R HN 0.237 8.507 8.270 -0.000 0.000 0.452 148 S N 2.691 118.538 115.700 0.244 0.000 2.498 148 S HA 0.148 4.618 4.470 0.000 0.000 0.281 148 S C 0.958 175.669 174.600 0.185 0.000 1.265 148 S CA -0.182 58.211 58.200 0.323 0.000 1.071 148 S CB 0.433 63.843 63.200 0.350 0.000 0.894 148 S HN 0.788 9.098 8.310 -0.000 0.000 0.491 149 A N 4.846 127.762 122.820 0.161 0.000 2.310 149 A HA 0.471 4.791 4.320 0.000 0.000 0.230 149 A C 0.203 177.829 177.584 0.070 0.000 1.294 149 A CA -0.238 51.853 52.037 0.090 0.000 0.898 149 A CB -0.129 18.909 19.000 0.064 0.000 0.917 149 A HN 0.724 8.874 8.150 -0.000 0.000 0.491 150 V N -0.893 119.083 119.914 0.103 0.000 2.777 150 V HA 0.462 4.582 4.120 0.000 0.000 0.306 150 V C -0.421 175.735 176.094 0.103 0.000 1.112 150 V CA -0.318 62.020 62.300 0.063 0.000 0.917 150 V CB 2.312 34.124 31.823 -0.018 0.000 1.018 150 V HN 0.313 8.503 8.190 -0.000 0.000 0.426 151 T N 3.664 118.254 114.554 0.060 0.000 2.859 151 T HA 0.491 4.842 4.350 0.000 0.000 0.281 151 T C -0.115 174.617 174.700 0.053 0.000 1.005 151 T CA -0.454 61.679 62.100 0.055 0.000 1.025 151 T CB 1.020 69.904 68.868 0.027 0.000 0.977 151 T HN 0.780 9.020 8.240 -0.000 0.000 0.458 152 E N 1.624 121.859 120.200 0.059 0.000 2.653 152 E HA 0.237 4.587 4.350 0.000 0.000 0.264 152 E C 1.315 177.935 176.600 0.034 0.000 0.949 152 E CA 1.378 57.812 56.400 0.055 0.000 0.953 152 E CB 0.034 29.757 29.700 0.038 0.000 0.925 152 E HN 1.024 9.384 8.360 -0.000 0.000 0.475 153 G N 1.454 110.274 108.800 0.033 0.000 2.217 153 G HA2 -0.305 3.655 3.960 0.000 0.000 0.246 153 G HA3 -0.305 3.655 3.960 0.000 0.000 0.246 153 G C 0.390 175.299 174.900 0.015 0.000 0.990 153 G CA -0.069 45.043 45.100 0.021 0.000 0.627 153 G HN 0.846 9.136 8.290 -0.000 0.000 0.522 154 A N -0.179 122.650 122.820 0.015 0.000 2.366 154 A HA 0.721 5.041 4.320 0.000 0.000 0.249 154 A C 0.146 177.729 177.584 -0.002 0.000 1.084 154 A CA 0.401 52.440 52.037 0.004 0.000 0.794 154 A CB 0.816 19.815 19.000 -0.000 0.000 1.034 154 A HN 1.514 9.664 8.150 -0.000 0.000 0.491 155 L N 2.593 123.813 121.223 -0.007 0.000 2.265 155 L HA 0.569 4.909 4.340 0.000 0.000 0.289 155 L C -0.266 176.594 176.870 -0.017 0.000 1.033 155 L CA -0.263 54.573 54.840 -0.007 0.000 0.814 155 L CB 1.182 43.239 42.059 -0.005 0.000 1.203 155 L HN 0.614 8.844 8.230 -0.000 0.000 0.423 156 V N 1.841 121.743 119.914 -0.020 0.000 2.513 156 V HA 0.863 4.983 4.120 0.000 0.000 0.299 156 V C 0.033 176.115 176.094 -0.021 0.000 1.035 156 V CA -0.087 62.191 62.300 -0.037 0.000 0.889 156 V CB 1.219 32.998 31.823 -0.073 0.000 0.988 156 V HN 0.860 9.050 8.190 -0.000 0.000 0.440 157 T N 0.548 115.085 114.554 -0.029 0.000 2.807 157 T HA 0.410 4.760 4.350 0.000 0.000 0.279 157 T C -0.130 174.544 174.700 -0.044 0.000 0.993 157 T CA -0.594 61.491 62.100 -0.024 0.000 0.970 157 T CB 1.353 70.211 68.868 -0.018 0.000 0.950 157 T HN 0.837 9.077 8.240 -0.000 0.000 0.441 158 N N 1.669 120.338 118.700 -0.051 0.000 2.429 158 N HA 0.269 5.009 4.740 0.000 0.000 0.271 158 N C 1.380 176.847 175.510 -0.073 0.000 1.272 158 N CA 1.610 54.608 53.050 -0.088 0.000 0.921 158 N CB -0.235 38.184 38.487 -0.113 0.000 1.128 158 N HN 1.234 9.614 8.380 -0.000 0.000 0.481 159 G N 2.619 111.376 108.800 -0.073 0.000 2.255 159 G HA2 -0.225 3.735 3.960 0.000 0.000 0.196 159 G HA3 -0.225 3.735 3.960 0.000 0.000 0.196 159 G C -0.036 174.837 174.900 -0.044 0.000 0.998 159 G CA 0.124 45.190 45.100 -0.057 0.000 0.656 159 G HN 0.833 9.123 8.290 -0.000 0.000 0.490 160 Q N 0.710 120.484 119.800 -0.044 0.000 2.304 160 Q HA 0.555 4.895 4.340 0.000 0.000 0.301 160 Q C 1.525 177.505 176.000 -0.033 0.000 1.063 160 Q CA 0.772 56.554 55.803 -0.036 0.000 0.947 160 Q CB 1.109 29.824 28.738 -0.038 0.000 1.201 160 Q HN 0.939 9.209 8.270 -0.000 0.000 0.389 161 A N 4.613 127.418 122.820 -0.025 0.000 1.835 161 A HA -0.186 4.134 4.320 0.000 0.000 0.215 161 A C 0.676 178.248 177.584 -0.019 0.000 1.199 161 A CA 1.424 53.449 52.037 -0.021 0.000 0.615 161 A CB -0.838 18.153 19.000 -0.015 0.000 0.838 161 A HN 0.950 9.100 8.150 -0.000 0.000 0.444 162 N N -0.271 118.419 118.700 -0.017 0.000 2.416 162 N HA 0.379 5.119 4.740 0.000 0.000 0.246 162 N C -0.367 175.131 175.510 -0.019 0.000 1.260 162 N CA 0.121 53.164 53.050 -0.013 0.000 0.897 162 N CB 0.410 38.892 38.487 -0.009 0.000 1.110 162 N HN 0.518 8.898 8.380 -0.000 0.000 0.439 163 A N 2.051 124.865 122.820 -0.011 0.000 2.317 163 A HA 0.286 4.606 4.320 0.000 0.000 0.327 163 A C 0.905 178.489 177.584 -0.000 0.000 1.178 163 A CA -0.591 51.439 52.037 -0.012 0.000 0.817 163 A CB 0.850 19.847 19.000 -0.004 0.000 1.189 163 A HN 0.779 8.929 8.150 -0.000 0.000 0.489 164 M N 1.604 121.191 119.600 -0.022 0.000 2.115 164 M HA -0.090 4.390 4.480 0.000 0.000 0.258 164 M C 1.096 177.475 176.300 0.131 0.000 1.071 164 M CA 2.697 57.992 55.300 -0.009 0.000 1.100 164 M CB -0.167 32.321 32.600 -0.187 0.000 1.292 164 M HN 0.855 9.145 8.290 -0.000 0.000 0.415 165 A N -1.705 121.204 122.820 0.148 0.000 2.530 165 A HA 0.718 5.038 4.320 0.000 0.000 0.288 165 A C -0.847 176.762 177.584 0.041 0.000 1.172 165 A CA -0.641 51.480 52.037 0.141 0.000 0.733 165 A CB 1.524 20.619 19.000 0.157 0.000 1.320 165 A HN 0.172 8.322 8.150 -0.000 0.000 0.419 166 T N 0.680 115.239 114.554 0.009 0.000 2.949 166 T HA 0.507 4.857 4.350 0.000 0.000 0.300 166 T C -0.793 173.882 174.700 -0.042 0.000 0.988 166 T CA -0.210 61.882 62.100 -0.013 0.000 0.993 166 T CB 1.015 69.886 68.868 0.005 0.000 0.984 166 T HN 0.580 8.820 8.240 -0.000 0.000 0.442 167 V N 3.899 123.777 119.914 -0.060 0.000 2.863 167 V HA 0.557 4.677 4.120 0.000 0.000 0.307 167 V C -0.056 176.017 176.094 -0.036 0.000 1.061 167 V CA -0.582 61.678 62.300 -0.066 0.000 1.024 167 V CB 1.680 33.453 31.823 -0.083 0.000 1.049 167 V HN 0.809 8.999 8.190 -0.000 0.000 0.471 168 Q N 1.703 121.487 119.800 -0.028 0.000 2.284 168 Q HA 0.353 4.693 4.340 0.000 0.000 0.269 168 Q C -1.207 174.790 176.000 -0.004 0.000 1.026 168 Q CA -0.488 55.307 55.803 -0.013 0.000 0.831 168 Q CB 2.761 31.494 28.738 -0.008 0.000 1.322 168 Q HN 0.752 9.022 8.270 -0.000 0.000 0.419 169 Q N 3.009 122.817 119.800 0.014 0.000 2.294 169 Q HA 0.302 4.642 4.340 0.000 0.000 0.257 169 Q C -0.377 175.637 176.000 0.024 0.000 0.955 169 Q CA 0.088 55.911 55.803 0.035 0.000 0.936 169 Q CB 0.621 29.422 28.738 0.105 0.000 1.188 169 Q HN 0.729 8.999 8.270 -0.000 0.000 0.420 170 L N 2.733 123.950 121.223 -0.011 0.000 2.858 170 L HA 0.395 4.735 4.340 0.000 0.000 0.251 170 L C -0.349 176.478 176.870 -0.072 0.000 1.149 170 L CA -0.075 54.746 54.840 -0.031 0.000 0.955 170 L CB 0.765 42.811 42.059 -0.022 0.000 1.289 170 L HN 0.542 8.772 8.230 -0.000 0.000 0.542 171 D N 0.474 120.812 120.400 -0.104 0.000 2.476 171 D HA 0.349 4.989 4.640 0.000 0.000 0.251 171 D C -2.459 173.672 176.300 -0.283 0.000 1.291 171 D CA -1.427 52.480 54.000 -0.155 0.000 0.939 171 D CB 2.164 42.913 40.800 -0.084 0.000 1.221 171 D HN -0.194 8.176 8.370 -0.000 0.000 0.567 172 P HA 0.389 4.809 4.420 -0.000 0.000 0.282 172 P C -0.709 176.328 177.300 -0.439 0.000 1.286 172 P CA -0.595 62.192 63.100 -0.521 0.000 0.777 172 P CB 0.743 31.978 31.700 -0.775 0.000 1.184 173 I N -1.191 119.232 120.570 -0.246 0.000 2.686 173 I HA 0.371 4.542 4.170 0.000 0.000 0.295 173 I C -1.225 174.922 176.117 0.050 0.000 1.114 173 I CA -1.057 60.178 61.300 -0.107 0.000 1.038 173 I CB 1.197 39.168 38.000 -0.049 0.000 1.238 173 I HN 0.102 8.312 8.210 -0.000 0.000 0.420 174 Y N 5.261 125.645 120.300 0.140 0.000 2.316 174 Y HA 0.543 5.093 4.550 0.000 0.000 0.324 174 Y C -0.015 175.937 175.900 0.087 0.000 1.267 174 Y CA -0.945 57.228 58.100 0.121 0.000 1.311 174 Y CB 1.490 40.018 38.460 0.114 0.000 1.267 174 Y HN 0.208 8.488 8.280 -0.000 0.000 0.516 175 V N 2.863 122.943 119.914 0.277 0.000 2.445 175 V HA 0.186 4.306 4.120 0.000 0.000 0.283 175 V C -1.236 174.907 176.094 0.080 0.000 1.014 175 V CA -1.147 61.252 62.300 0.166 0.000 0.852 175 V CB 1.281 33.245 31.823 0.235 0.000 1.021 175 V HN 0.617 8.807 8.190 -0.000 0.000 0.435 176 D N 3.625 124.054 120.400 0.048 0.000 2.339 176 D HA 0.409 5.049 4.640 0.000 0.000 0.256 176 D C -0.170 176.123 176.300 -0.012 0.000 1.214 176 D CA 0.330 54.325 54.000 -0.007 0.000 0.877 176 D CB 1.580 42.379 40.800 -0.002 0.000 1.111 176 D HN 0.283 8.653 8.370 -0.000 0.000 0.478 177 V N 2.249 122.142 119.914 -0.034 0.000 2.513 177 V HA 0.589 4.709 4.120 0.000 0.000 0.299 177 V C 0.319 176.394 176.094 -0.033 0.000 1.035 177 V CA -0.864 61.415 62.300 -0.034 0.000 0.889 177 V CB 1.888 33.689 31.823 -0.037 0.000 0.988 177 V HN 0.667 8.857 8.190 -0.000 0.000 0.440 178 T N 1.769 116.308 114.554 -0.025 0.000 2.812 178 T HA 0.743 5.093 4.350 0.000 0.000 0.282 178 T C -0.777 173.918 174.700 -0.009 0.000 0.990 178 T CA -0.785 61.304 62.100 -0.017 0.000 0.960 178 T CB 1.857 70.715 68.868 -0.016 0.000 0.948 178 T HN 0.520 8.760 8.240 -0.000 0.000 0.438 179 Q N 1.711 121.511 119.800 -0.000 0.000 2.484 179 Q HA 0.483 4.823 4.340 0.000 0.000 0.285 179 Q C -2.966 173.039 176.000 0.008 0.000 1.097 179 Q CA -2.308 53.499 55.803 0.008 0.000 0.802 179 Q CB 2.431 31.183 28.738 0.022 0.000 1.444 179 Q HN 0.428 8.698 8.270 -0.000 0.000 0.429 180 P HA 0.129 4.549 4.420 -0.000 0.000 0.276 180 P C 0.341 177.646 177.300 0.010 0.000 1.235 180 P CA 0.316 63.420 63.100 0.006 0.000 0.772 180 P CB 0.719 32.421 31.700 0.003 0.000 0.871 181 S N 1.838 117.543 115.700 0.008 0.000 2.422 181 S HA -0.257 4.213 4.470 0.000 0.000 0.241 181 S C 1.876 176.482 174.600 0.010 0.000 1.076 181 S CA 2.445 60.651 58.200 0.010 0.000 1.066 181 S CB -1.190 62.014 63.200 0.006 0.000 0.890 181 S HN 0.737 9.047 8.310 -0.000 0.000 0.465 182 T N 0.840 115.398 114.554 0.007 0.000 2.674 182 T HA -0.001 4.349 4.350 0.000 0.000 0.265 182 T C 1.982 176.686 174.700 0.005 0.000 1.039 182 T CA 1.286 63.389 62.100 0.004 0.000 1.150 182 T CB -0.859 68.010 68.868 0.002 0.000 0.864 182 T HN 0.391 8.631 8.240 -0.000 0.000 0.427 183 A N 1.790 124.615 122.820 0.009 0.000 1.948 183 A HA -0.013 4.307 4.320 0.000 0.000 0.220 183 A C 2.382 179.986 177.584 0.033 0.000 1.177 183 A CA 1.941 53.988 52.037 0.015 0.000 0.636 183 A CB -1.045 17.965 19.000 0.016 0.000 0.815 183 A HN 0.533 8.683 8.150 -0.000 0.000 0.449 184 L N -1.007 120.242 121.223 0.043 0.000 2.093 184 L HA -0.079 4.261 4.340 0.000 0.000 0.208 184 L C 2.150 179.040 176.870 0.033 0.000 1.085 184 L CA 1.938 56.825 54.840 0.077 0.000 0.755 184 L CB -0.634 41.472 42.059 0.078 0.000 0.904 184 L HN 0.317 8.547 8.230 -0.000 0.000 0.435 185 L N -0.002 121.224 121.223 0.005 0.000 2.017 185 L HA -0.179 4.161 4.340 0.000 0.000 0.208 185 L C 2.743 179.584 176.870 -0.049 0.000 1.073 185 L CA 2.008 56.833 54.840 -0.026 0.000 0.745 185 L CB -0.928 41.120 42.059 -0.018 0.000 0.894 185 L HN 0.410 8.640 8.230 -0.000 0.000 0.432 186 R N -0.555 119.928 120.500 -0.029 0.000 2.122 186 R HA -0.217 4.123 4.340 0.000 0.000 0.236 186 R C 2.314 178.576 176.300 -0.062 0.000 1.129 186 R CA 2.560 58.640 56.100 -0.034 0.000 0.925 186 R CB -0.580 29.711 30.300 -0.014 0.000 0.850 186 R HN 0.467 8.737 8.270 -0.000 0.000 0.431 187 L N 0.304 121.500 121.223 -0.045 0.000 2.079 187 L HA -0.192 4.148 4.340 0.000 0.000 0.210 187 L C 2.772 179.432 176.870 -0.351 0.000 1.081 187 L CA 1.239 56.029 54.840 -0.083 0.000 0.752 187 L CB -0.591 41.547 42.059 0.132 0.000 0.896 187 L HN 0.248 8.478 8.230 -0.000 0.000 0.433 188 R N 0.312 120.591 120.500 -0.370 0.000 2.127 188 R HA -0.123 4.217 4.340 0.000 0.000 0.238 188 R C 2.397 178.512 176.300 -0.309 0.000 1.134 188 R CA 1.227 57.039 56.100 -0.481 0.000 0.975 188 R CB -0.301 29.844 30.300 -0.258 0.000 0.865 188 R HN 0.504 8.774 8.270 -0.000 0.000 0.447 189 R N 0.662 121.047 120.500 -0.192 0.000 2.052 189 R HA -0.047 4.293 4.340 0.000 0.000 0.226 189 R C 2.110 178.336 176.300 -0.123 0.000 1.145 189 R CA 0.970 56.994 56.100 -0.127 0.000 0.952 189 R CB -0.292 29.959 30.300 -0.080 0.000 0.847 189 R HN 0.320 8.590 8.270 -0.000 0.000 0.431 190 E N 1.020 121.152 120.200 -0.113 0.000 2.233 190 E HA -0.246 4.104 4.350 0.000 0.000 0.199 190 E C 1.937 178.479 176.600 -0.095 0.000 1.004 190 E CA 1.141 57.492 56.400 -0.080 0.000 0.819 190 E CB -0.183 29.486 29.700 -0.052 0.000 0.738 190 E HN 0.156 8.516 8.360 -0.000 0.000 0.478 191 L N 0.727 121.844 121.223 -0.178 0.000 2.049 191 L HA 0.028 4.368 4.340 0.000 0.000 0.203 191 L C 2.313 179.116 176.870 -0.111 0.000 1.074 191 L CA 1.863 56.605 54.840 -0.164 0.000 0.749 191 L CB -0.628 41.229 42.059 -0.338 0.000 0.907 191 L HN 0.001 8.231 8.230 -0.000 0.000 0.439 192 A N -0.503 122.241 122.820 -0.127 0.000 1.948 192 A HA -0.246 4.074 4.320 0.000 0.000 0.220 192 A C 2.387 179.939 177.584 -0.054 0.000 1.177 192 A CA 2.426 54.413 52.037 -0.082 0.000 0.636 192 A CB -1.182 17.769 19.000 -0.083 0.000 0.815 192 A HN 0.711 8.861 8.150 -0.000 0.000 0.449 193 S N -1.877 113.791 115.700 -0.052 0.000 2.341 193 S HA 0.370 4.840 4.470 0.000 0.000 0.204 193 S C 1.530 176.115 174.600 -0.025 0.000 1.038 193 S CA 1.533 59.713 58.200 -0.034 0.000 1.013 193 S CB -0.599 62.582 63.200 -0.031 0.000 0.994 193 S HN 1.433 9.743 8.310 -0.000 0.000 0.430 194 G N -0.505 108.281 108.800 -0.022 0.000 4.474 194 G HA2 0.040 4.000 3.960 0.000 0.000 0.202 194 G HA3 0.040 4.000 3.960 0.000 0.000 0.202 194 G C 0.745 175.643 174.900 -0.004 0.000 0.708 194 G CA 0.354 45.447 45.100 -0.011 0.000 0.806 194 G HN 0.453 8.743 8.290 -0.000 0.000 0.508 195 Q N -0.405 119.391 119.800 -0.008 0.000 2.449 195 Q HA 0.045 4.385 4.340 0.000 0.000 0.214 195 Q C 0.075 176.083 176.000 0.013 0.000 0.986 195 Q CA 0.762 56.566 55.803 0.001 0.000 0.893 195 Q CB -0.085 28.651 28.738 -0.004 0.000 0.940 195 Q HN 0.344 8.614 8.270 -0.000 0.000 0.477 196 L N 0.460 121.692 121.223 0.014 0.000 2.342 196 L HA 0.257 4.597 4.340 0.000 0.000 0.271 196 L C -0.660 176.237 176.870 0.044 0.000 1.008 196 L CA -0.313 54.551 54.840 0.041 0.000 0.818 196 L CB 2.082 44.176 42.059 0.058 0.000 1.296 196 L HN -0.055 8.175 8.230 -0.000 0.000 0.427 197 E N 2.714 122.948 120.200 0.056 0.000 1.881 197 E HA 0.062 4.412 4.350 0.000 0.000 0.264 197 E C -0.143 176.492 176.600 0.058 0.000 1.243 197 E CA -0.204 56.225 56.400 0.048 0.000 0.965 197 E CB 0.045 29.772 29.700 0.045 0.000 1.055 197 E HN 0.255 8.615 8.360 -0.000 0.000 0.412 198 R N 2.193 122.722 120.500 0.049 0.000 2.501 198 R HA -0.093 4.247 4.340 0.000 0.000 0.319 198 R C 0.634 176.962 176.300 0.047 0.000 0.913 198 R CA 0.316 56.449 56.100 0.056 0.000 1.104 198 R CB 0.348 30.669 30.300 0.035 0.000 0.901 198 R HN 0.579 8.849 8.270 -0.000 0.000 0.407 199 A N 3.675 126.528 122.820 0.056 0.000 1.956 199 A HA 0.279 4.599 4.320 0.000 0.000 0.212 199 A C 0.801 178.399 177.584 0.024 0.000 1.188 199 A CA 1.066 53.119 52.037 0.027 0.000 0.675 199 A CB 0.377 19.378 19.000 0.003 0.000 0.845 199 A HN 0.787 8.937 8.150 -0.000 0.000 0.455 200 G N -1.998 106.827 108.800 0.041 0.000 2.645 200 G HA2 0.397 4.357 3.960 0.000 0.000 0.292 200 G HA3 0.397 4.357 3.960 0.000 0.000 0.292 200 G C -0.666 174.262 174.900 0.047 0.000 1.415 200 G CA 0.169 45.289 45.100 0.035 0.000 0.785 200 G HN -0.135 8.155 8.290 -0.000 0.000 0.483 201 D N -0.588 119.834 120.400 0.037 0.000 2.220 201 D HA -0.161 4.479 4.640 0.000 0.000 0.198 201 D C 1.159 177.488 176.300 0.049 0.000 1.001 201 D CA 1.869 55.889 54.000 0.034 0.000 0.875 201 D CB 0.348 41.164 40.800 0.027 0.000 0.921 201 D HN 0.349 8.719 8.370 -0.000 0.000 0.454 202 N N -1.360 117.388 118.700 0.080 0.000 2.193 202 N HA 0.226 4.966 4.740 0.000 0.000 0.236 202 N C -1.284 174.402 175.510 0.293 0.000 1.347 202 N CA -0.014 53.117 53.050 0.136 0.000 0.812 202 N CB 1.014 39.566 38.487 0.109 0.000 1.297 202 N HN 0.021 8.401 8.380 -0.000 0.000 0.499 203 A N -0.169 122.780 122.820 0.214 0.000 2.423 203 A HA 0.920 5.240 4.320 0.000 0.000 0.304 203 A C -0.788 176.920 177.584 0.206 0.000 1.104 203 A CA -0.459 51.689 52.037 0.186 0.000 0.757 203 A CB 1.337 20.331 19.000 -0.009 0.000 1.313 203 A HN 0.199 8.349 8.150 -0.000 0.000 0.423 204 A N 0.921 123.851 122.820 0.184 0.000 2.320 204 A HA 0.681 5.001 4.320 0.000 0.000 0.334 204 A C -0.127 177.467 177.584 0.017 0.000 1.147 204 A CA -0.665 51.471 52.037 0.166 0.000 0.820 204 A CB 0.588 19.774 19.000 0.310 0.000 1.218 204 A HN 0.756 8.906 8.150 -0.000 0.000 0.482 205 K N 0.319 120.736 120.400 0.028 0.000 2.326 205 K HA 0.503 4.823 4.320 0.000 0.000 0.275 205 K C -0.913 175.692 176.600 0.008 0.000 1.018 205 K CA 0.037 56.324 56.287 0.000 0.000 0.962 205 K CB 0.963 33.477 32.500 0.024 0.000 0.953 205 K HN 0.395 8.645 8.250 -0.000 0.000 0.475 206 V N 1.136 121.047 119.914 -0.005 0.000 3.087 206 V HA 0.268 4.388 4.120 0.000 0.000 0.306 206 V C -0.774 175.456 176.094 0.228 0.000 1.187 206 V CA -0.954 61.389 62.300 0.071 0.000 0.999 206 V CB 2.353 34.189 31.823 0.023 0.000 1.049 206 V HN 0.973 9.163 8.190 -0.000 0.000 0.431 207 S N 2.558 118.420 115.700 0.270 0.000 2.621 207 S HA 0.896 5.366 4.470 0.000 0.000 0.302 207 S C -1.097 173.659 174.600 0.259 0.000 1.093 207 S CA -0.698 57.685 58.200 0.305 0.000 1.017 207 S CB 2.097 65.398 63.200 0.168 0.000 1.077 207 S HN 0.675 8.985 8.310 -0.000 0.000 0.517 208 L N 1.193 122.435 121.223 0.032 0.000 2.346 208 L HA 0.622 4.962 4.340 0.000 0.000 0.276 208 L C -0.527 176.307 176.870 -0.059 0.000 1.006 208 L CA -0.444 54.270 54.840 -0.210 0.000 0.817 208 L CB 1.627 43.091 42.059 -0.991 0.000 1.272 208 L HN 0.912 9.142 8.230 -0.000 0.000 0.421 209 K N 5.827 126.223 120.400 -0.007 0.000 2.449 209 K HA 0.459 4.779 4.320 0.000 0.000 0.257 209 K C -0.758 175.867 176.600 0.042 0.000 0.989 209 K CA -0.605 55.702 56.287 0.033 0.000 0.916 209 K CB 0.602 33.130 32.500 0.047 0.000 1.136 209 K HN 0.690 8.940 8.250 -0.000 0.000 0.439 210 L N 3.072 124.314 121.223 0.032 0.000 2.472 210 L HA -0.064 4.276 4.340 0.000 0.000 0.273 210 L C 2.054 178.965 176.870 0.069 0.000 1.254 210 L CA 0.112 54.973 54.840 0.036 0.000 0.823 210 L CB 0.259 42.343 42.059 0.041 0.000 1.096 210 L HN 0.762 8.992 8.230 -0.000 0.000 0.521 211 E N 0.898 121.145 120.200 0.078 0.000 2.110 211 E HA -0.261 4.089 4.350 0.000 0.000 0.193 211 E C 1.199 177.845 176.600 0.076 0.000 0.988 211 E CA 1.733 58.200 56.400 0.112 0.000 0.804 211 E CB -0.406 29.373 29.700 0.133 0.000 0.745 211 E HN 0.913 9.273 8.360 -0.000 0.000 0.458 212 D N 0.304 120.735 120.400 0.052 0.000 2.178 212 D HA -0.050 4.590 4.640 0.000 0.000 0.201 212 D C 1.569 177.884 176.300 0.026 0.000 0.980 212 D CA 1.829 55.851 54.000 0.036 0.000 0.842 212 D CB 0.007 40.823 40.800 0.026 0.000 0.948 212 D HN 0.412 8.782 8.370 -0.000 0.000 0.472 213 G N -0.682 108.134 108.800 0.026 0.000 2.421 213 G HA2 -0.194 3.766 3.960 0.000 0.000 0.188 213 G HA3 -0.194 3.766 3.960 0.000 0.000 0.188 213 G C 0.363 175.271 174.900 0.012 0.000 1.001 213 G CA 0.079 45.186 45.100 0.012 0.000 0.693 213 G HN 0.792 9.082 8.290 -0.000 0.000 0.479 214 S N 0.200 115.910 115.700 0.016 0.000 2.573 214 S HA 0.537 5.007 4.470 0.000 0.000 0.277 214 S C 0.076 174.690 174.600 0.023 0.000 1.346 214 S CA 0.171 58.379 58.200 0.013 0.000 1.034 214 S CB 1.861 65.066 63.200 0.009 0.000 0.879 214 S HN 0.483 8.793 8.310 -0.000 0.000 0.528 215 Q N 1.228 121.037 119.800 0.015 0.000 2.294 215 Q HA 0.295 4.635 4.340 0.000 0.000 0.257 215 Q C -1.251 174.768 176.000 0.032 0.000 0.955 215 Q CA -0.416 55.404 55.803 0.028 0.000 0.936 215 Q CB 0.392 29.140 28.738 0.017 0.000 1.188 215 Q HN 0.702 8.972 8.270 -0.000 0.000 0.420 216 Y N 7.396 127.650 120.300 -0.076 0.000 2.569 216 Y HA 0.090 4.640 4.550 0.000 0.000 0.332 216 Y C -1.349 174.517 175.900 -0.056 0.000 1.120 216 Y CA -1.459 56.582 58.100 -0.098 0.000 1.416 216 Y CB 0.800 39.138 38.460 -0.203 0.000 1.210 216 Y HN 0.697 8.977 8.280 -0.000 0.000 0.528 217 P HA -0.233 4.187 4.420 -0.000 0.000 0.217 217 P C -0.111 177.085 177.300 -0.172 0.000 1.148 217 P CA 1.502 64.414 63.100 -0.314 0.000 0.834 217 P CB 0.421 31.893 31.700 -0.379 0.000 0.783 218 L N -1.007 120.124 121.223 -0.154 0.000 2.365 218 L HA 0.426 4.766 4.340 0.000 0.000 0.267 218 L C 0.675 177.783 176.870 0.398 0.000 1.033 218 L CA -0.983 53.973 54.840 0.195 0.000 0.802 218 L CB 1.169 43.412 42.059 0.306 0.000 1.267 218 L HN -0.139 8.091 8.230 -0.000 0.000 0.457 219 E N -0.555 119.837 120.200 0.320 0.000 2.212 219 E HA 0.612 4.962 4.350 0.000 0.000 0.268 219 E C -0.966 175.778 176.600 0.240 0.000 0.902 219 E CA -0.544 56.055 56.400 0.332 0.000 0.779 219 E CB 2.145 31.950 29.700 0.174 0.000 1.172 219 E HN 0.681 9.041 8.360 -0.000 0.000 0.409 220 G N 2.437 111.259 108.800 0.036 0.000 2.714 220 G HA2 0.471 4.431 3.960 0.000 0.000 0.292 220 G HA3 0.471 4.431 3.960 0.000 0.000 0.292 220 G C -1.041 173.572 174.900 -0.478 0.000 1.308 220 G CA -0.867 43.942 45.100 -0.485 0.000 0.964 220 G HN 0.475 8.765 8.290 -0.000 0.000 0.484 221 R N -0.540 119.719 120.500 -0.402 0.000 2.349 221 R HA 0.400 4.740 4.340 0.000 0.000 0.299 221 R C -1.066 175.030 176.300 -0.340 0.000 1.027 221 R CA -0.720 55.217 56.100 -0.272 0.000 0.958 221 R CB 1.786 31.994 30.300 -0.154 0.000 1.047 221 R HN 0.259 8.529 8.270 -0.000 0.000 0.468 222 L N 3.304 124.337 121.223 -0.317 0.000 2.335 222 L HA 0.228 4.568 4.340 0.000 0.000 0.268 222 L C -0.441 176.107 176.870 -0.537 0.000 1.037 222 L CA -0.333 54.258 54.840 -0.415 0.000 0.895 222 L CB 0.728 42.519 42.059 -0.447 0.000 1.266 222 L HN 0.432 8.662 8.230 -0.000 0.000 0.439 223 E N 3.587 123.579 120.200 -0.347 0.000 2.376 223 E HA -0.017 4.333 4.350 0.000 0.000 0.266 223 E C 0.249 176.655 176.600 -0.323 0.000 1.009 223 E CA 0.395 56.653 56.400 -0.237 0.000 0.902 223 E CB 0.510 30.138 29.700 -0.120 0.000 0.972 223 E HN 0.544 8.904 8.360 -0.000 0.000 0.439 224 F N 0.391 120.318 119.950 -0.039 0.000 2.776 224 F HA -0.019 4.508 4.527 0.000 0.000 0.300 224 F C 1.668 177.446 175.800 -0.037 0.000 1.116 224 F CA 0.023 58.002 58.000 -0.035 0.000 1.375 224 F CB 0.308 39.293 39.000 -0.026 0.000 1.109 224 F HN 0.171 8.471 8.300 -0.000 0.000 0.585 225 S N 1.737 117.495 115.700 0.098 0.000 2.525 225 S HA 0.039 4.509 4.470 0.000 0.000 0.285 225 S C 0.136 174.739 174.600 0.004 0.000 1.283 225 S CA -0.796 57.430 58.200 0.044 0.000 1.072 225 S CB -0.151 63.057 63.200 0.013 0.000 0.867 225 S HN 0.381 8.691 8.310 -0.000 0.000 0.492 226 E N 3.585 123.792 120.200 0.010 0.000 2.392 226 E HA 0.219 4.569 4.350 0.000 0.000 0.264 226 E C 0.537 177.116 176.600 -0.035 0.000 1.024 226 E CA -0.534 55.860 56.400 -0.010 0.000 0.903 226 E CB 0.630 30.330 29.700 0.001 0.000 0.963 226 E HN 0.280 8.640 8.360 -0.000 0.000 0.432 227 V N 0.628 120.510 119.914 -0.054 0.000 3.570 227 V HA 0.205 4.325 4.120 0.000 0.000 0.257 227 V C 0.315 176.379 176.094 -0.050 0.000 1.272 227 V CA 0.398 62.657 62.300 -0.068 0.000 1.079 227 V CB -0.670 31.084 31.823 -0.114 0.000 0.829 227 V HN 0.798 8.988 8.190 -0.000 0.000 0.454 228 S N -0.669 115.008 115.700 -0.039 0.000 2.558 228 S HA 0.734 5.204 4.470 0.000 0.000 0.277 228 S C -1.371 173.217 174.600 -0.020 0.000 1.143 228 S CA -0.572 57.611 58.200 -0.028 0.000 0.865 228 S CB 2.141 65.323 63.200 -0.029 0.000 1.102 228 S HN 0.123 8.433 8.310 -0.000 0.000 0.454 229 V N 1.480 121.386 119.914 -0.014 0.000 2.789 229 V HA 0.580 4.700 4.120 0.000 0.000 0.311 229 V C -0.992 175.097 176.094 -0.008 0.000 1.073 229 V CA -0.678 61.617 62.300 -0.009 0.000 0.921 229 V CB 1.989 33.808 31.823 -0.007 0.000 1.009 229 V HN 1.037 9.227 8.190 -0.000 0.000 0.426 230 D N 2.217 122.613 120.400 -0.006 0.000 2.500 230 D HA 0.209 4.849 4.640 0.000 0.000 0.219 230 D C 0.982 177.280 176.300 -0.003 0.000 1.137 230 D CA -0.227 53.770 54.000 -0.005 0.000 0.946 230 D CB 1.234 42.032 40.800 -0.004 0.000 1.022 230 D HN 0.624 8.994 8.370 -0.000 0.000 0.518 231 E N 1.392 121.590 120.200 -0.004 0.000 2.253 231 E HA -0.192 4.158 4.350 0.000 0.000 0.202 231 E C 1.826 178.425 176.600 -0.002 0.000 1.014 231 E CA 1.551 57.949 56.400 -0.003 0.000 0.823 231 E CB 0.066 29.765 29.700 -0.003 0.000 0.736 231 E HN 0.663 9.023 8.360 -0.000 0.000 0.478 232 G N -0.292 108.506 108.800 -0.002 0.000 2.616 232 G HA2 -0.281 3.679 3.960 0.000 0.000 0.215 232 G HA3 -0.281 3.679 3.960 0.000 0.000 0.215 232 G C 1.667 176.566 174.900 -0.001 0.000 1.284 232 G CA 1.551 46.650 45.100 -0.001 0.000 0.823 232 G HN 0.442 8.732 8.290 -0.000 0.000 0.569 233 T N -1.720 112.833 114.554 -0.001 0.000 3.007 233 T HA 0.278 4.628 4.350 0.000 0.000 0.270 233 T C 2.038 176.738 174.700 -0.001 0.000 1.107 233 T CA 1.144 63.244 62.100 -0.001 0.000 1.118 233 T CB -0.301 68.566 68.868 -0.002 0.000 0.889 233 T HN 1.652 9.892 8.240 -0.000 0.000 0.506 234 G N 0.724 109.523 108.800 -0.001 0.000 2.189 234 G HA2 -0.280 3.680 3.960 0.000 0.000 0.267 234 G HA3 -0.280 3.680 3.960 0.000 0.000 0.267 234 G C 0.267 175.167 174.900 -0.000 0.000 0.975 234 G CA 0.293 45.393 45.100 -0.000 0.000 0.644 234 G HN 0.780 9.070 8.290 -0.000 0.000 0.537 235 S N -0.777 114.922 115.700 -0.001 0.000 2.585 235 S HA 0.570 5.040 4.470 0.000 0.000 0.273 235 S C 0.543 175.141 174.600 -0.003 0.000 1.339 235 S CA -0.077 58.122 58.200 -0.001 0.000 1.028 235 S CB 2.148 65.346 63.200 -0.003 0.000 0.906 235 S HN 0.712 9.022 8.310 -0.000 0.000 0.528 236 V N 1.724 121.637 119.914 -0.001 0.000 2.769 236 V HA 0.562 4.682 4.120 0.000 0.000 0.312 236 V C 0.046 176.134 176.094 -0.010 0.000 1.058 236 V CA -0.691 61.608 62.300 -0.003 0.000 0.952 236 V CB 2.132 33.959 31.823 0.007 0.000 1.019 236 V HN 0.877 9.067 8.190 -0.000 0.000 0.445 237 T N 4.947 119.489 114.554 -0.020 0.000 2.809 237 T HA 0.687 5.037 4.350 0.000 0.000 0.284 237 T C -0.427 174.240 174.700 -0.055 0.000 0.992 237 T CA -0.159 61.920 62.100 -0.035 0.000 0.957 237 T CB 0.747 69.594 68.868 -0.036 0.000 0.942 237 T HN 0.605 8.845 8.240 -0.000 0.000 0.439 238 I N 0.337 120.866 120.570 -0.069 0.000 2.957 238 I HA 0.762 4.932 4.170 0.000 0.000 0.310 238 I C -0.451 175.577 176.117 -0.148 0.000 1.063 238 I CA -1.522 59.713 61.300 -0.108 0.000 1.033 238 I CB 2.004 39.941 38.000 -0.106 0.000 1.230 238 I HN 0.256 8.466 8.210 -0.000 0.000 0.447 239 R N 2.043 122.418 120.500 -0.209 0.000 2.562 239 R HA 0.793 5.133 4.340 0.000 0.000 0.298 239 R C -0.921 175.261 176.300 -0.198 0.000 0.961 239 R CA -0.814 55.142 56.100 -0.240 0.000 0.881 239 R CB 2.185 32.187 30.300 -0.497 0.000 1.159 239 R HN 0.873 9.143 8.270 -0.000 0.000 0.450 240 A N 2.293 125.047 122.820 -0.110 0.000 2.324 240 A HA 0.603 4.923 4.320 0.000 0.000 0.330 240 A C -0.645 176.898 177.584 -0.069 0.000 1.165 240 A CA -0.623 51.312 52.037 -0.170 0.000 0.813 240 A CB 1.370 20.293 19.000 -0.129 0.000 1.197 240 A HN 0.435 8.585 8.150 -0.000 0.000 0.484 241 V N 2.736 122.515 119.914 -0.224 0.000 2.349 241 V HA 0.420 4.540 4.120 0.000 0.000 0.284 241 V C -1.131 174.773 176.094 -0.316 0.000 1.014 241 V CA -0.117 62.138 62.300 -0.076 0.000 0.826 241 V CB 0.247 32.102 31.823 0.053 0.000 1.009 241 V HN 0.710 8.900 8.190 -0.000 0.000 0.431 242 F N 5.451 125.361 119.950 -0.067 0.000 2.458 242 F HA 0.646 5.173 4.527 0.000 0.000 0.330 242 F C -2.220 173.509 175.800 -0.118 0.000 1.082 242 F CA -2.673 55.264 58.000 -0.106 0.000 0.995 242 F CB 1.836 40.706 39.000 -0.217 0.000 1.170 242 F HN 0.279 8.579 8.300 -0.000 0.000 0.478 243 P HA 0.195 4.615 4.420 -0.000 0.000 0.279 243 P C -0.888 176.497 177.300 0.142 0.000 1.239 243 P CA -0.232 62.918 63.100 0.084 0.000 0.789 243 P CB 0.622 32.383 31.700 0.102 0.000 0.933 244 N N 2.849 121.585 118.700 0.060 0.000 2.687 244 N HA 0.182 4.922 4.740 0.000 0.000 0.275 244 N C -1.956 173.578 175.510 0.041 0.000 1.789 244 N CA -1.890 51.212 53.050 0.087 0.000 0.806 244 N CB 0.467 38.964 38.487 0.016 0.000 1.256 244 N HN 0.162 8.542 8.380 -0.000 0.000 0.500 245 P HA 0.035 4.455 4.420 -0.000 0.000 0.229 245 P C -0.158 177.148 177.300 0.010 0.000 1.160 245 P CA 0.880 63.987 63.100 0.012 0.000 0.777 245 P CB 0.520 32.225 31.700 0.009 0.000 0.814 246 N N 0.032 118.745 118.700 0.022 0.000 2.234 246 N HA 0.055 4.795 4.740 0.000 0.000 0.227 246 N C 0.081 175.602 175.510 0.018 0.000 1.151 246 N CA -0.231 52.825 53.050 0.010 0.000 0.865 246 N CB -0.439 38.046 38.487 -0.003 0.000 1.066 246 N HN 0.028 8.408 8.380 -0.000 0.000 0.515 247 N N 1.173 119.888 118.700 0.026 0.000 2.693 247 N HA -0.200 4.540 4.740 0.000 0.000 0.249 247 N C 0.457 175.987 175.510 0.032 0.000 1.119 247 N CA 0.751 53.814 53.050 0.021 0.000 0.717 247 N CB -0.747 37.744 38.487 0.007 0.000 1.071 247 N HN 0.566 8.946 8.380 -0.000 0.000 0.555 248 E N 0.140 120.379 120.200 0.065 0.000 2.153 248 E HA -0.041 4.309 4.350 0.000 0.000 0.194 248 E C 0.591 177.234 176.600 0.073 0.000 0.988 248 E CA 0.726 57.174 56.400 0.079 0.000 0.811 248 E CB 0.155 29.933 29.700 0.130 0.000 0.746 248 E HN 0.427 8.787 8.360 -0.000 0.000 0.466 249 L N 1.927 123.186 121.223 0.061 0.000 2.289 249 L HA 0.268 4.608 4.340 0.000 0.000 0.285 249 L C -0.339 176.510 176.870 -0.035 0.000 1.049 249 L CA -0.482 54.344 54.840 -0.023 0.000 0.804 249 L CB 0.977 42.963 42.059 -0.121 0.000 1.195 249 L HN 0.027 8.257 8.230 -0.000 0.000 0.428 250 L N 3.938 125.131 121.223 -0.051 0.000 2.354 250 L HA 0.581 4.921 4.340 0.000 0.000 0.264 250 L C -2.321 174.508 176.870 -0.069 0.000 1.008 250 L CA -1.903 52.907 54.840 -0.049 0.000 0.819 250 L CB 2.207 44.240 42.059 -0.043 0.000 1.339 250 L HN 0.243 8.473 8.230 -0.000 0.000 0.420 251 P HA 0.193 4.613 4.420 -0.000 0.000 0.266 251 P C 0.646 177.882 177.300 -0.107 0.000 1.193 251 P CA 0.948 64.013 63.100 -0.058 0.000 0.770 251 P CB 0.658 32.339 31.700 -0.031 0.000 0.836 252 G N 1.319 110.035 108.800 -0.140 0.000 2.258 252 G HA2 -0.268 3.692 3.960 0.000 0.000 0.233 252 G HA3 -0.268 3.692 3.960 0.000 0.000 0.233 252 G C 0.235 174.830 174.900 -0.508 0.000 1.006 252 G CA -0.195 44.747 45.100 -0.263 0.000 0.620 252 G HN 0.465 8.755 8.290 -0.000 0.000 0.511 253 M N 1.010 120.399 119.600 -0.352 0.000 2.251 253 M HA 0.393 4.873 4.480 0.000 0.000 0.343 253 M C -0.255 175.838 176.300 -0.345 0.000 1.245 253 M CA 0.413 55.493 55.300 -0.366 0.000 1.061 253 M CB 0.074 32.567 32.600 -0.178 0.000 1.723 253 M HN 0.081 8.371 8.290 -0.000 0.000 0.449 254 F N 3.464 123.404 119.950 -0.017 0.000 2.404 254 F HA 0.491 5.018 4.527 0.000 0.000 0.358 254 F C 0.373 176.160 175.800 -0.022 0.000 1.120 254 F CA -0.847 57.136 58.000 -0.028 0.000 1.144 254 F CB 0.193 39.188 39.000 -0.007 0.000 1.133 254 F HN 0.331 8.631 8.300 -0.000 0.000 0.495 255 V N 0.302 120.271 119.914 0.090 0.000 3.119 255 V HA 0.703 4.823 4.120 0.000 0.000 0.311 255 V C -1.424 174.627 176.094 -0.072 0.000 1.259 255 V CA -0.964 61.370 62.300 0.056 0.000 1.067 255 V CB 2.357 34.162 31.823 -0.030 0.000 1.123 255 V HN 0.620 8.810 8.190 -0.000 0.000 0.463 256 H N -0.008 119.071 119.070 0.015 0.000 2.782 256 H HA 0.830 5.386 4.556 0.000 0.000 0.347 256 H C -0.066 175.282 175.328 0.033 0.000 1.038 256 H CA 0.494 56.559 56.048 0.027 0.000 1.255 256 H CB 1.725 31.502 29.762 0.024 0.000 1.623 256 H HN 1.200 9.480 8.280 -0.000 0.000 0.525 257 A N 3.124 126.031 122.820 0.146 0.000 2.331 257 A HA 0.426 4.746 4.320 0.000 0.000 0.283 257 A C -0.376 177.299 177.584 0.152 0.000 1.142 257 A CA -0.589 51.553 52.037 0.174 0.000 0.812 257 A CB 0.472 19.569 19.000 0.162 0.000 1.074 257 A HN 0.774 8.924 8.150 -0.000 0.000 0.497 258 Q N 1.296 121.186 119.800 0.150 0.000 2.333 258 Q HA 0.532 4.872 4.340 0.000 0.000 0.265 258 Q C -1.223 174.837 176.000 0.099 0.000 0.989 258 Q CA -0.130 55.740 55.803 0.111 0.000 0.842 258 Q CB 2.168 30.963 28.738 0.094 0.000 1.262 258 Q HN 0.713 8.983 8.270 -0.000 0.000 0.451 259 L N 2.782 124.054 121.223 0.081 0.000 2.296 259 L HA 0.319 4.659 4.340 0.000 0.000 0.286 259 L C -0.566 176.343 176.870 0.065 0.000 1.023 259 L CA -0.823 54.063 54.840 0.077 0.000 0.812 259 L CB 1.478 43.588 42.059 0.085 0.000 1.223 259 L HN 0.465 8.695 8.230 -0.000 0.000 0.421 260 Q N 3.685 123.523 119.800 0.063 0.000 2.377 260 Q HA 0.156 4.496 4.340 0.000 0.000 0.249 260 Q C -0.297 175.732 176.000 0.048 0.000 1.005 260 Q CA 0.079 55.913 55.803 0.050 0.000 0.912 260 Q CB 1.221 29.987 28.738 0.047 0.000 1.223 260 Q HN 0.550 8.820 8.270 -0.000 0.000 0.459 261 E N 1.331 121.554 120.200 0.039 0.000 2.370 261 E HA 0.313 4.663 4.350 0.000 0.000 0.194 261 E C 0.383 176.996 176.600 0.023 0.000 1.057 261 E CA -0.126 56.294 56.400 0.032 0.000 1.011 261 E CB 0.262 29.979 29.700 0.027 0.000 1.132 261 E HN 0.893 9.253 8.360 -0.000 0.000 0.450 262 G N 0.499 109.314 108.800 0.024 0.000 2.829 262 G HA2 -0.237 3.723 3.960 0.000 0.000 0.628 262 G HA3 -0.237 3.723 3.960 0.000 0.000 0.628 262 G C -0.193 174.716 174.900 0.016 0.000 1.412 262 G CA -0.459 44.652 45.100 0.018 0.000 0.864 262 G HN 0.453 8.743 8.290 -0.000 0.000 0.544 263 V N -3.362 116.560 119.914 0.014 0.000 2.459 263 V HA 1.009 5.129 4.120 0.000 0.000 0.295 263 V C 0.375 176.476 176.094 0.011 0.000 1.029 263 V CA -0.004 62.303 62.300 0.013 0.000 0.874 263 V CB 0.769 32.599 31.823 0.012 0.000 0.985 263 V HN 2.036 10.226 8.190 -0.000 0.000 0.438 264 K N 2.345 122.752 120.400 0.011 0.000 2.143 264 K HA 0.545 4.865 4.320 0.000 0.000 0.272 264 K C 0.641 177.247 176.600 0.011 0.000 1.001 264 K CA -0.332 55.961 56.287 0.011 0.000 0.915 264 K CB 0.969 33.476 32.500 0.012 0.000 1.047 264 K HN 0.867 9.117 8.250 -0.000 0.000 0.458 265 Q N 0.614 120.420 119.800 0.010 0.000 1.921 265 Q HA 0.105 4.445 4.340 0.000 0.000 0.208 265 Q C 0.611 176.617 176.000 0.011 0.000 0.994 265 Q CA 2.740 58.549 55.803 0.010 0.000 0.857 265 Q CB -0.177 28.567 28.738 0.009 0.000 0.925 265 Q HN 0.882 9.152 8.270 -0.000 0.000 0.421 266 K N -0.960 119.447 120.400 0.012 0.000 2.616 266 K HA 0.809 5.129 4.320 0.000 0.000 0.255 266 K C -1.272 175.337 176.600 0.015 0.000 0.995 266 K CA -0.100 56.195 56.287 0.013 0.000 0.860 266 K CB 1.158 33.665 32.500 0.011 0.000 1.264 266 K HN 0.437 8.687 8.250 -0.000 0.000 0.451 267 A N 0.477 123.308 122.820 0.018 0.000 2.486 267 A HA 0.982 5.302 4.320 0.000 0.000 0.289 267 A C -0.109 177.491 177.584 0.026 0.000 1.176 267 A CA -0.055 51.995 52.037 0.022 0.000 0.757 267 A CB 0.823 19.838 19.000 0.025 0.000 1.337 267 A HN 2.245 10.396 8.150 -0.000 0.000 0.423 268 I N 0.193 120.782 120.570 0.031 0.000 2.331 268 I HA 0.703 4.873 4.170 0.000 0.000 0.292 268 I C -0.448 175.699 176.117 0.050 0.000 0.998 268 I CA -0.533 60.788 61.300 0.035 0.000 1.267 268 I CB 0.148 38.167 38.000 0.030 0.000 1.386 268 I HN 0.519 8.729 8.210 -0.000 0.000 0.476 269 L N 6.730 127.984 121.223 0.052 0.000 2.426 269 L HA 0.592 4.932 4.340 0.000 0.000 0.255 269 L C 0.811 177.728 176.870 0.078 0.000 1.080 269 L CA -0.581 54.304 54.840 0.074 0.000 0.960 269 L CB 0.745 42.842 42.059 0.063 0.000 1.326 269 L HN 0.876 9.106 8.230 -0.000 0.000 0.441 270 A N 3.868 126.738 122.820 0.084 0.000 2.396 270 A HA 0.511 4.831 4.320 0.000 0.000 0.279 270 A C -2.288 175.331 177.584 0.058 0.000 1.165 270 A CA -1.153 50.914 52.037 0.049 0.000 0.824 270 A CB -0.258 18.753 19.000 0.017 0.000 1.100 270 A HN 0.299 8.449 8.150 -0.000 0.000 0.516 271 P HA 0.011 4.431 4.420 -0.000 0.000 0.266 271 P C 0.652 177.912 177.300 -0.066 0.000 1.195 271 P CA 0.126 63.248 63.100 0.038 0.000 0.768 271 P CB 0.624 32.336 31.700 0.021 0.000 0.838 272 Q N 3.713 123.480 119.800 -0.055 0.000 2.291 272 Q HA -0.230 4.110 4.340 0.000 0.000 0.206 272 Q C 1.528 177.415 176.000 -0.188 0.000 0.976 272 Q CA 1.620 57.244 55.803 -0.299 0.000 0.875 272 Q CB -0.633 28.110 28.738 0.007 0.000 0.927 272 Q HN 0.511 8.781 8.270 -0.000 0.000 0.450 273 Q N -1.642 118.110 119.800 -0.080 0.000 2.541 273 Q HA 0.033 4.373 4.340 0.000 0.000 0.215 273 Q C 0.578 176.530 176.000 -0.081 0.000 0.977 273 Q CA 0.914 56.681 55.803 -0.060 0.000 0.934 273 Q CB 0.086 28.810 28.738 -0.023 0.000 0.988 273 Q HN 0.327 8.597 8.270 -0.000 0.000 0.521 274 G N 0.179 108.905 108.800 -0.123 0.000 4.530 274 G HA2 0.416 4.376 3.960 0.000 0.000 0.284 274 G HA3 0.416 4.376 3.960 0.000 0.000 0.284 274 G C -0.597 174.205 174.900 -0.163 0.000 1.008 274 G CA -0.136 44.895 45.100 -0.114 0.000 0.770 274 G HN 0.100 8.390 8.290 -0.000 0.000 0.424 275 V N -0.372 119.392 119.914 -0.250 0.000 3.007 275 V HA 0.855 4.975 4.120 0.000 0.000 0.311 275 V C -0.432 175.473 176.094 -0.315 0.000 1.120 275 V CA -0.714 61.395 62.300 -0.318 0.000 0.980 275 V CB 2.033 33.539 31.823 -0.528 0.000 1.033 275 V HN 0.125 8.315 8.190 -0.000 0.000 0.429 276 T N 2.066 116.470 114.554 -0.250 0.000 2.896 276 T HA 0.725 5.075 4.350 0.000 0.000 0.297 276 T C -1.288 173.325 174.700 -0.145 0.000 1.108 276 T CA -0.779 61.213 62.100 -0.179 0.000 1.004 276 T CB 1.608 70.412 68.868 -0.105 0.000 1.159 276 T HN 0.674 8.914 8.240 -0.000 0.000 0.499 277 R N 2.841 123.292 120.500 -0.081 0.000 2.363 277 R HA 0.468 4.808 4.340 0.000 0.000 0.297 277 R C -1.075 175.225 176.300 -0.000 0.000 1.208 277 R CA -0.748 55.341 56.100 -0.019 0.000 1.121 277 R CB 0.559 30.887 30.300 0.047 0.000 1.124 277 R HN 0.515 8.785 8.270 -0.000 0.000 0.561 278 D N 1.070 121.467 120.400 -0.006 0.000 2.341 278 D HA 0.187 4.827 4.640 0.000 0.000 0.245 278 D C 0.912 177.218 176.300 0.010 0.000 1.106 278 D CA -0.081 53.919 54.000 -0.001 0.000 0.905 278 D CB 0.727 41.523 40.800 -0.007 0.000 1.202 278 D HN 0.532 8.902 8.370 -0.000 0.000 0.426 279 L N 1.778 123.007 121.223 0.010 0.000 4.429 279 L HA -0.343 3.997 4.340 0.000 0.000 0.422 279 L C -0.145 176.738 176.870 0.021 0.000 1.149 279 L CA 0.708 55.556 54.840 0.014 0.000 0.972 279 L CB -0.835 41.232 42.059 0.013 0.000 2.059 279 L HN 0.796 9.026 8.230 -0.000 0.000 0.870 280 K N -1.110 119.305 120.400 0.026 0.000 3.257 280 K HA -0.226 4.094 4.320 0.000 0.000 0.270 280 K C 0.766 177.395 176.600 0.048 0.000 0.984 280 K CA 0.644 56.954 56.287 0.039 0.000 0.739 280 K CB -1.571 30.948 32.500 0.033 0.000 1.351 280 K HN 0.843 9.093 8.250 -0.000 0.000 0.463 281 G N 0.100 108.933 108.800 0.055 0.000 4.371 281 G HA2 -0.115 3.845 3.960 0.000 0.000 0.160 281 G HA3 -0.115 3.845 3.960 0.000 0.000 0.160 281 G C -0.523 174.416 174.900 0.066 0.000 1.271 281 G CA -0.135 45.004 45.100 0.064 0.000 0.982 281 G HN 0.279 8.569 8.290 -0.000 0.000 0.318 282 Q N 1.542 121.367 119.800 0.042 0.000 2.283 282 Q HA 0.464 4.804 4.340 0.000 0.000 0.301 282 Q C -0.006 176.010 176.000 0.026 0.000 1.063 282 Q CA 0.292 56.115 55.803 0.033 0.000 0.952 282 Q CB 0.617 29.366 28.738 0.018 0.000 1.166 282 Q HN 0.573 8.843 8.270 -0.000 0.000 0.381 283 A N 3.974 126.812 122.820 0.029 0.000 2.260 283 A HA 0.541 4.861 4.320 0.000 0.000 0.308 283 A C -0.484 177.086 177.584 -0.023 0.000 1.254 283 A CA -0.291 51.745 52.037 -0.001 0.000 0.874 283 A CB 0.839 19.862 19.000 0.037 0.000 1.153 283 A HN 0.758 8.908 8.150 -0.000 0.000 0.527 284 T N -0.358 114.164 114.554 -0.053 0.000 2.861 284 T HA 0.819 5.169 4.350 0.000 0.000 0.287 284 T C -0.356 174.301 174.700 -0.071 0.000 1.003 284 T CA -0.066 62.005 62.100 -0.048 0.000 0.977 284 T CB 1.700 70.546 68.868 -0.037 0.000 0.996 284 T HN 1.573 9.813 8.240 -0.000 0.000 0.448 285 A N 2.113 124.899 122.820 -0.058 0.000 2.435 285 A HA 0.899 5.219 4.320 0.000 0.000 0.296 285 A C -1.533 176.024 177.584 -0.046 0.000 1.147 285 A CA -0.972 51.026 52.037 -0.065 0.000 0.775 285 A CB 1.686 20.648 19.000 -0.064 0.000 1.340 285 A HN 0.844 8.994 8.150 -0.000 0.000 0.427 286 L N 0.582 121.778 121.223 -0.045 0.000 2.372 286 L HA 0.745 5.085 4.340 0.000 0.000 0.273 286 L C -0.232 176.621 176.870 -0.029 0.000 0.989 286 L CA 0.028 54.848 54.840 -0.033 0.000 0.841 286 L CB 1.068 43.107 42.059 -0.033 0.000 1.225 286 L HN 1.051 9.281 8.230 -0.000 0.000 0.414 287 V N 3.842 123.743 119.914 -0.022 0.000 3.074 287 V HA 0.813 4.933 4.120 0.000 0.000 0.314 287 V C -1.046 175.040 176.094 -0.013 0.000 1.117 287 V CA -0.851 61.439 62.300 -0.017 0.000 1.014 287 V CB 2.536 34.350 31.823 -0.015 0.000 1.057 287 V HN 0.352 8.542 8.190 -0.000 0.000 0.438 288 V N 3.652 123.559 119.914 -0.011 0.000 2.370 288 V HA 0.520 4.640 4.120 0.000 0.000 0.283 288 V C 0.231 176.321 176.094 -0.007 0.000 1.023 288 V CA -0.645 61.650 62.300 -0.009 0.000 0.857 288 V CB 1.118 32.936 31.823 -0.008 0.000 0.985 288 V HN 1.310 9.500 8.190 -0.000 0.000 0.443 289 N N 6.308 125.005 118.700 -0.006 0.000 2.294 289 N HA 0.342 5.082 4.740 0.000 0.000 0.248 289 N C 1.120 176.628 175.510 -0.004 0.000 1.300 289 N CA 0.257 53.304 53.050 -0.004 0.000 0.925 289 N CB 0.605 39.090 38.487 -0.004 0.000 1.188 289 N HN 0.613 8.993 8.380 -0.000 0.000 0.512 290 A N -1.238 121.580 122.820 -0.003 0.000 2.019 290 A HA -0.160 4.160 4.320 0.000 0.000 0.219 290 A C 1.297 178.879 177.584 -0.002 0.000 1.164 290 A CA 1.008 53.043 52.037 -0.002 0.000 0.644 290 A CB -0.617 18.382 19.000 -0.001 0.000 0.805 290 A HN 0.665 8.815 8.150 -0.000 0.000 0.449 291 Q N 0.377 120.175 119.800 -0.003 0.000 2.291 291 Q HA 0.048 4.388 4.340 0.000 0.000 0.211 291 Q C -0.205 175.793 176.000 -0.003 0.000 0.925 291 Q CA 0.005 55.806 55.803 -0.003 0.000 0.949 291 Q CB -0.774 27.962 28.738 -0.003 0.000 1.015 291 Q HN 0.653 8.923 8.270 -0.000 0.000 0.477 292 N N -0.392 118.306 118.700 -0.003 0.000 2.678 292 N HA -0.181 4.559 4.740 0.000 0.000 0.250 292 N C -0.071 175.436 175.510 -0.005 0.000 1.136 292 N CA 1.743 54.790 53.050 -0.004 0.000 0.757 292 N CB -1.142 37.343 38.487 -0.004 0.000 1.135 292 N HN 0.591 8.971 8.380 -0.000 0.000 0.565 293 K N 0.310 120.707 120.400 -0.005 0.000 2.164 293 K HA 0.686 5.006 4.320 0.000 0.000 0.258 293 K C 0.460 177.056 176.600 -0.007 0.000 0.951 293 K CA -0.210 56.074 56.287 -0.006 0.000 0.844 293 K CB 1.312 33.809 32.500 -0.005 0.000 1.099 293 K HN 0.265 8.515 8.250 -0.000 0.000 0.435 294 V N -0.439 119.470 119.914 -0.008 0.000 2.649 294 V HA 0.624 4.744 4.120 0.000 0.000 0.292 294 V C -0.078 176.011 176.094 -0.010 0.000 1.055 294 V CA -0.493 61.801 62.300 -0.010 0.000 1.023 294 V CB 0.578 32.394 31.823 -0.012 0.000 0.992 294 V HN 0.933 9.123 8.190 -0.000 0.000 0.480 295 E N 2.728 122.922 120.200 -0.011 0.000 2.404 295 E HA 0.682 5.032 4.350 0.000 0.000 0.264 295 E C -1.577 175.015 176.600 -0.013 0.000 0.946 295 E CA -1.119 55.275 56.400 -0.010 0.000 0.806 295 E CB 2.525 32.220 29.700 -0.008 0.000 1.334 295 E HN 0.635 8.995 8.360 -0.000 0.000 0.429 296 L N 1.474 122.690 121.223 -0.012 0.000 2.401 296 L HA 0.368 4.708 4.340 0.000 0.000 0.263 296 L C -1.189 175.674 176.870 -0.012 0.000 1.004 296 L CA -0.057 54.775 54.840 -0.014 0.000 0.881 296 L CB 0.657 42.708 42.059 -0.014 0.000 1.219 296 L HN 0.357 8.587 8.230 -0.000 0.000 0.441 297 R N 3.059 123.551 120.500 -0.013 0.000 2.514 297 R HA 0.702 5.042 4.340 0.000 0.000 0.301 297 R C -0.854 175.439 176.300 -0.011 0.000 0.962 297 R CA -0.925 55.169 56.100 -0.009 0.000 0.882 297 R CB 2.238 32.534 30.300 -0.007 0.000 1.143 297 R HN 0.498 8.768 8.270 -0.000 0.000 0.452 298 V N 2.539 122.450 119.914 -0.005 0.000 2.408 298 V HA 0.415 4.535 4.120 0.000 0.000 0.267 298 V C 0.515 176.611 176.094 0.004 0.000 1.047 298 V CA -0.700 61.599 62.300 -0.003 0.000 0.937 298 V CB 0.196 32.020 31.823 0.002 0.000 0.999 298 V HN 0.658 8.848 8.190 -0.000 0.000 0.472 299 I N 1.730 122.303 120.570 0.005 0.000 2.783 299 I HA 0.889 5.059 4.170 0.000 0.000 0.312 299 I C 0.354 176.495 176.117 0.041 0.000 0.988 299 I CA -0.809 60.504 61.300 0.020 0.000 1.182 299 I CB 1.668 39.678 38.000 0.017 0.000 1.368 299 I HN 0.622 8.832 8.210 -0.000 0.000 0.511 300 K N 3.398 123.831 120.400 0.055 0.000 2.961 300 K HA 0.772 5.092 4.320 0.000 0.000 0.187 300 K C -0.312 176.347 176.600 0.099 0.000 1.110 300 K CA -0.151 56.177 56.287 0.068 0.000 0.968 300 K CB 0.488 33.016 32.500 0.046 0.000 1.287 300 K HN 0.913 9.163 8.250 -0.000 0.000 0.578 301 A N 0.679 123.596 122.820 0.162 0.000 2.276 301 A HA 0.496 4.816 4.320 0.000 0.000 0.300 301 A C 0.423 178.150 177.584 0.238 0.000 1.235 301 A CA -0.119 52.065 52.037 0.245 0.000 0.867 301 A CB 0.438 19.692 19.000 0.423 0.000 1.137 301 A HN 0.596 8.746 8.150 -0.000 0.000 0.527 302 D N 2.022 122.477 120.400 0.093 0.000 2.856 302 D HA 0.058 4.698 4.640 0.000 0.000 0.283 302 D C 0.834 177.038 176.300 -0.161 0.000 1.051 302 D CA 0.468 54.462 54.000 -0.009 0.000 0.965 302 D CB 0.444 41.242 40.800 -0.003 0.000 1.201 302 D HN 0.668 9.038 8.370 -0.000 0.000 0.474 303 R N -0.161 120.257 120.500 -0.137 0.000 2.747 303 R HA 0.468 4.808 4.340 0.000 0.000 0.278 303 R C -0.414 175.656 176.300 -0.384 0.000 1.153 303 R CA -0.335 55.644 56.100 -0.202 0.000 1.206 303 R CB 1.063 31.302 30.300 -0.103 0.000 1.161 303 R HN -0.163 8.107 8.270 -0.000 0.000 0.589 304 V N 2.020 121.728 119.914 -0.342 0.000 2.559 304 V HA 0.285 4.405 4.120 0.000 0.000 0.289 304 V C -0.741 175.245 176.094 -0.180 0.000 1.036 304 V CA -0.433 61.617 62.300 -0.417 0.000 0.887 304 V CB 1.328 32.822 31.823 -0.549 0.000 1.022 304 V HN 0.530 8.720 8.190 -0.000 0.000 0.442 305 I N 4.507 125.024 120.570 -0.088 0.000 2.328 305 I HA 0.617 4.787 4.170 0.000 0.000 0.287 305 I C 1.333 177.453 176.117 0.006 0.000 1.012 305 I CA 0.504 61.786 61.300 -0.030 0.000 1.195 305 I CB 1.287 39.284 38.000 -0.005 0.000 1.350 305 I HN 0.810 9.020 8.210 -0.000 0.000 0.464 306 G N 5.590 114.390 108.800 -0.000 0.000 3.729 306 G HA2 -0.339 3.621 3.960 0.000 0.000 0.327 306 G HA3 -0.339 3.621 3.960 0.000 0.000 0.327 306 G C 0.691 175.616 174.900 0.042 0.000 1.293 306 G CA 0.797 45.908 45.100 0.018 0.000 1.011 306 G HN 0.617 8.907 8.290 -0.000 0.000 0.673 307 D N 0.908 121.353 120.400 0.074 0.000 2.525 307 D HA 0.203 4.843 4.640 0.000 0.000 0.231 307 D C 0.628 177.047 176.300 0.198 0.000 1.216 307 D CA 0.245 54.316 54.000 0.118 0.000 0.813 307 D CB 0.445 41.294 40.800 0.082 0.000 1.108 307 D HN 0.514 8.884 8.370 -0.000 0.000 0.524 308 K N -0.170 120.344 120.400 0.190 0.000 2.185 308 K HA 0.423 4.743 4.320 0.000 0.000 0.240 308 K C -0.886 175.947 176.600 0.388 0.000 0.983 308 K CA -0.748 55.696 56.287 0.261 0.000 0.873 308 K CB 1.565 34.150 32.500 0.142 0.000 1.118 308 K HN -0.191 8.059 8.250 -0.000 0.000 0.441 309 W N 1.846 123.149 121.300 0.005 0.000 2.532 309 W HA 0.311 4.971 4.660 -0.000 0.000 0.321 309 W C -0.641 175.881 176.519 0.005 0.000 1.037 309 W CA -0.861 56.487 57.345 0.005 0.000 1.220 309 W CB 0.598 30.060 29.460 0.005 0.000 1.361 309 W HN 0.310 8.490 8.180 -0.000 0.000 0.468 310 L N 5.144 126.466 121.223 0.165 0.000 2.536 310 L HA 0.283 4.623 4.340 0.000 0.000 0.282 310 L C -0.367 176.574 176.870 0.117 0.000 1.147 310 L CA 0.055 54.957 54.840 0.103 0.000 0.936 310 L CB -0.350 41.736 42.059 0.043 0.000 1.279 310 L HN 0.160 8.390 8.230 -0.000 0.000 0.461 311 V N 5.853 125.837 119.914 0.117 0.000 2.415 311 V HA 0.046 4.166 4.120 0.000 0.000 0.267 311 V C 1.440 177.572 176.094 0.063 0.000 1.042 311 V CA 0.340 62.698 62.300 0.097 0.000 1.000 311 V CB 0.333 32.202 31.823 0.076 0.000 1.015 311 V HN 0.929 9.119 8.190 -0.000 0.000 0.478 312 T N 3.483 118.072 114.554 0.058 0.000 2.896 312 T HA -0.020 4.330 4.350 0.000 0.000 0.263 312 T C 0.665 175.384 174.700 0.031 0.000 1.050 312 T CA 0.980 63.103 62.100 0.039 0.000 1.140 312 T CB 0.106 68.994 68.868 0.033 0.000 0.877 312 T HN 0.738 8.978 8.240 -0.000 0.000 0.457 313 E N -1.211 119.009 120.200 0.034 0.000 2.454 313 E HA 0.451 4.801 4.350 0.000 0.000 0.315 313 E C -0.114 176.501 176.600 0.025 0.000 0.907 313 E CA -0.066 56.349 56.400 0.025 0.000 0.797 313 E CB 0.902 30.614 29.700 0.020 0.000 1.396 313 E HN 0.220 8.580 8.360 -0.000 0.000 0.389 314 G N 3.869 112.681 108.800 0.021 0.000 3.897 314 G HA2 0.061 4.021 3.960 0.000 0.000 0.207 314 G HA3 0.061 4.021 3.960 0.000 0.000 0.207 314 G C -0.638 174.268 174.900 0.010 0.000 0.872 314 G CA -0.307 44.803 45.100 0.015 0.000 0.872 314 G HN 0.336 8.626 8.290 -0.000 0.000 0.442 315 L N 1.602 122.833 121.223 0.014 0.000 2.476 315 L HA 0.609 4.949 4.340 0.000 0.000 0.269 315 L C 0.332 177.209 176.870 0.013 0.000 0.965 315 L CA -0.334 54.512 54.840 0.010 0.000 0.845 315 L CB 1.569 43.633 42.059 0.008 0.000 1.259 315 L HN 0.315 8.545 8.230 -0.000 0.000 0.403 316 N N 1.437 120.142 118.700 0.009 0.000 2.405 316 N HA 0.789 5.529 4.740 0.000 0.000 0.269 316 N C 0.206 175.722 175.510 0.009 0.000 1.249 316 N CA 0.010 53.066 53.050 0.010 0.000 0.974 316 N CB 0.716 39.207 38.487 0.008 0.000 1.204 316 N HN 0.751 9.131 8.380 -0.000 0.000 0.565 317 A N -1.403 121.422 122.820 0.009 0.000 2.451 317 A HA 0.573 4.893 4.320 0.000 0.000 0.266 317 A C 1.618 179.206 177.584 0.007 0.000 1.119 317 A CA 0.872 52.914 52.037 0.009 0.000 0.786 317 A CB -0.915 18.090 19.000 0.009 0.000 1.061 317 A HN 2.396 10.546 8.150 -0.000 0.000 0.503 318 G N 2.210 111.014 108.800 0.006 0.000 2.491 318 G HA2 -0.179 3.781 3.960 0.000 0.000 0.203 318 G HA3 -0.179 3.781 3.960 0.000 0.000 0.203 318 G C 0.061 174.962 174.900 0.003 0.000 1.052 318 G CA 0.041 45.144 45.100 0.004 0.000 0.675 318 G HN 0.758 9.048 8.290 -0.000 0.000 0.504 319 D N 1.957 122.359 120.400 0.002 0.000 2.515 319 D HA 0.241 4.881 4.640 0.000 0.000 0.230 319 D C 0.544 176.843 176.300 -0.002 0.000 1.181 319 D CA 0.828 54.828 54.000 -0.000 0.000 0.875 319 D CB 0.387 41.186 40.800 -0.001 0.000 1.213 319 D HN 0.506 8.876 8.370 -0.000 0.000 0.478 320 K N 1.904 122.301 120.400 -0.004 0.000 2.293 320 K HA 0.449 4.769 4.320 0.000 0.000 0.267 320 K C -0.198 176.396 176.600 -0.011 0.000 1.010 320 K CA -0.519 55.764 56.287 -0.006 0.000 0.875 320 K CB 1.323 33.820 32.500 -0.006 0.000 1.106 320 K HN 0.271 8.521 8.250 -0.000 0.000 0.450 321 I N 4.581 125.144 120.570 -0.013 0.000 2.315 321 I HA 0.213 4.383 4.170 0.000 0.000 0.291 321 I C 0.268 176.371 176.117 -0.023 0.000 1.006 321 I CA -0.764 60.524 61.300 -0.020 0.000 1.265 321 I CB 0.802 38.787 38.000 -0.024 0.000 1.387 321 I HN 0.435 8.645 8.210 -0.000 0.000 0.475 322 I N 6.741 127.295 120.570 -0.026 0.000 2.421 322 I HA 0.017 4.187 4.170 0.000 0.000 0.291 322 I C 1.004 177.102 176.117 -0.032 0.000 1.089 322 I CA 0.417 61.701 61.300 -0.025 0.000 1.354 322 I CB 0.679 38.664 38.000 -0.024 0.000 1.413 322 I HN 0.724 8.934 8.210 -0.000 0.000 0.513 323 T N 3.277 117.814 114.554 -0.027 0.000 3.082 323 T HA 0.043 4.393 4.350 0.000 0.000 0.235 323 T C 0.994 175.679 174.700 -0.025 0.000 0.991 323 T CA 0.499 62.581 62.100 -0.030 0.000 1.220 323 T CB 0.012 68.866 68.868 -0.023 0.000 0.909 323 T HN 0.663 8.903 8.240 -0.000 0.000 0.424 324 E N 0.851 121.040 120.200 -0.018 0.000 1.986 324 E HA 0.552 4.902 4.350 0.000 0.000 0.264 324 E C 0.662 177.253 176.600 -0.014 0.000 1.023 324 E CA -0.121 56.270 56.400 -0.015 0.000 0.834 324 E CB -0.363 29.331 29.700 -0.011 0.000 1.111 324 E HN 0.635 8.995 8.360 -0.000 0.000 0.417 325 G N -0.800 107.990 108.800 -0.016 0.000 3.987 325 G HA2 0.182 4.142 3.960 0.000 0.000 0.220 325 G HA3 0.182 4.142 3.960 0.000 0.000 0.220 325 G C 1.434 176.324 174.900 -0.017 0.000 0.871 325 G CA 0.421 45.513 45.100 -0.015 0.000 0.881 325 G HN 1.507 9.797 8.290 -0.000 0.000 0.674 326 L N 0.431 121.641 121.223 -0.022 0.000 2.610 326 L HA 0.666 5.006 4.340 0.000 0.000 0.232 326 L C 2.598 179.455 176.870 -0.022 0.000 1.149 326 L CA 2.717 57.542 54.840 -0.024 0.000 0.872 326 L CB -1.931 40.108 42.059 -0.033 0.000 0.992 326 L HN 0.820 9.050 8.230 -0.000 0.000 0.447 327 Q N -1.069 118.720 119.800 -0.019 0.000 2.364 327 Q HA 0.303 4.643 4.340 0.000 0.000 0.209 327 Q C 1.066 177.058 176.000 -0.014 0.000 0.977 327 Q CA 2.155 57.948 55.803 -0.016 0.000 0.885 327 Q CB -1.170 27.560 28.738 -0.013 0.000 0.941 327 Q HN 2.129 10.399 8.270 -0.000 0.000 0.464 328 F N -2.993 116.949 119.950 -0.013 0.000 3.588 328 F HA 0.661 5.188 4.527 0.000 0.000 0.396 328 F C -0.365 175.428 175.800 -0.012 0.000 1.213 328 F CA -0.647 57.346 58.000 -0.012 0.000 1.387 328 F CB 0.043 39.037 39.000 -0.009 0.000 2.059 328 F HN 0.793 9.093 8.300 -0.000 0.000 0.754 329 V N -0.640 119.267 119.914 -0.013 0.000 3.130 329 V HA 1.126 5.246 4.120 0.000 0.000 0.308 329 V C -0.587 175.499 176.094 -0.012 0.000 1.572 329 V CA -0.270 62.023 62.300 -0.012 0.000 1.012 329 V CB 0.984 32.798 31.823 -0.014 0.000 1.052 329 V HN 2.614 10.804 8.190 -0.000 0.000 0.478 330 Q N -0.361 119.432 119.800 -0.012 0.000 2.617 330 Q HA 0.683 5.023 4.340 0.000 0.000 0.270 330 Q C -3.246 172.747 176.000 -0.011 0.000 0.967 330 Q CA -0.737 55.059 55.803 -0.012 0.000 0.887 330 Q CB 0.678 29.410 28.738 -0.010 0.000 1.516 330 Q HN 0.952 9.222 8.270 -0.000 0.000 0.395 331 P HA 0.594 5.014 4.420 -0.000 0.000 0.276 331 P C 0.946 178.241 177.300 -0.009 0.000 1.230 331 P CA 1.701 64.794 63.100 -0.011 0.000 0.776 331 P CB 1.246 32.939 31.700 -0.011 0.000 0.888 332 G N 0.215 109.011 108.800 -0.008 0.000 2.168 332 G HA2 -0.019 3.941 3.960 0.000 0.000 0.197 332 G HA3 -0.019 3.941 3.960 0.000 0.000 0.197 332 G C -0.035 174.861 174.900 -0.006 0.000 0.997 332 G CA -0.197 44.900 45.100 -0.006 0.000 0.658 332 G HN 0.754 9.044 8.290 -0.000 0.000 0.513 333 V N -1.179 118.731 119.914 -0.007 0.000 2.919 333 V HA 1.030 5.150 4.120 0.000 0.000 0.316 333 V C 0.105 176.195 176.094 -0.006 0.000 1.077 333 V CA 0.208 62.505 62.300 -0.006 0.000 0.977 333 V CB 1.444 33.263 31.823 -0.007 0.000 1.039 333 V HN 1.264 9.454 8.190 -0.000 0.000 0.441 334 E N 0.600 120.797 120.200 -0.006 0.000 2.250 334 E HA 0.996 5.346 4.350 0.000 0.000 0.265 334 E C -0.338 176.258 176.600 -0.006 0.000 1.033 334 E CA 0.051 56.448 56.400 -0.005 0.000 0.888 334 E CB 1.535 31.232 29.700 -0.005 0.000 1.151 334 E HN 2.658 11.018 8.360 -0.000 0.000 0.412 335 V N -2.327 117.584 119.914 -0.006 0.000 3.187 335 V HA 0.935 5.055 4.120 0.000 0.000 0.303 335 V C -0.019 176.072 176.094 -0.005 0.000 1.529 335 V CA -0.448 61.848 62.300 -0.006 0.000 1.042 335 V CB 0.936 32.755 31.823 -0.007 0.000 1.089 335 V HN 1.168 9.358 8.190 -0.000 0.000 0.471 336 K N 0.291 120.688 120.400 -0.005 0.000 2.123 336 K HA 0.935 5.255 4.320 0.000 0.000 0.259 336 K C 0.093 176.690 176.600 -0.005 0.000 0.960 336 K CA -0.007 56.277 56.287 -0.005 0.000 0.872 336 K CB 1.014 33.512 32.500 -0.004 0.000 1.079 336 K HN 2.634 10.884 8.250 -0.000 0.000 0.440 337 T N 0.473 115.024 114.554 -0.004 0.000 2.832 337 T HA 0.591 4.941 4.350 0.000 0.000 0.313 337 T C -0.061 174.636 174.700 -0.004 0.000 1.035 337 T CA 0.006 62.103 62.100 -0.005 0.000 0.950 337 T CB -0.441 68.424 68.868 -0.004 0.000 0.984 337 T HN 1.562 9.802 8.240 -0.000 0.000 0.486 338 V N 4.297 124.208 119.914 -0.004 0.000 2.326 338 V HA 0.680 4.800 4.120 0.000 0.000 0.281 338 V C -2.123 173.969 176.094 -0.004 0.000 1.015 338 V CA -2.253 60.045 62.300 -0.004 0.000 0.823 338 V CB 0.752 32.573 31.823 -0.004 0.000 1.009 338 V HN 0.641 8.831 8.190 -0.000 0.000 0.436 339 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 339 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 339 P CB 0.000 31.700 31.700 -0.001 0.000 0.726