NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3781 8.2393 119.0774 55.0991 31.3243 175.0171 6 P 4.3767 0.0000 0.0000 61.5886 32.4610 175.9709 7 F 3.9751 10.3503 125.5314 61.9291 39.9933 179.3353 8 K 4.4231 8.5402 117.6680 59.1789 31.9293 178.5851 9 Q 4.5672 8.1990 121.5936 57.7418 28.9109 182.7536 10 R 4.4872 8.1594 123.6104 60.5541 30.4311 182.7012 11 R 4.7385 6.6644 115.7506 54.1871 32.1321 177.5927 12 S 4.9407 7.9700 112.9266 56.8728 66.7915 175.0210 13 F 4.0583 8.7623 124.0017 61.6812 39.0963 177.2753 14 A 3.9880 8.1171 119.7722 54.9597 18.4222 178.4439 15 D 4.5966 7.6795 115.6818 55.6414 41.0645 178.7018 16 R 4.3071 7.9996 119.7471 58.9406 30.4429 178.1673 17 C 4.0772 7.6600 116.5307 62.7037 28.0633 176.2950 18 K 3.9417 7.9625 122.9870 60.2966 31.7535 179.4013 19 E 4.1918 7.8838 116.8493 61.2328 29.6135 180.9556 20 V 3.6367 8.3599 120.4911 66.7055 31.5947 178.4991 21 Q 3.7212 8.5018 123.1706 60.9625 27.5629 181.0967 22 Q 4.6363 8.4826 119.5197 57.9074 28.3652 180.3802 23 I 4.0760 8.7190 125.2160 65.2365 37.4265 178.9225 24 R 4.0593 7.9464 122.8242 61.8405 29.3620 181.2950 25 D 4.7603 7.8222 122.9854 59.1574 39.9972 181.1065 26 Q 4.5275 7.4120 119.8447 57.8733 30.1391 177.6830 27 H 5.1519 8.4466 115.1115 54.2085 29.2160 172.4920 28 P 4.3891 0.0000 0.0000 64.9692 32.1952 178.1855 29 S 4.3306 8.0384 111.3038 58.9901 63.5879 173.4224 30 K 4.9932 7.5438 120.1422 54.9697 34.8902 175.3334 31 I 4.1641 8.4008 122.6639 58.8024 39.9822 173.3069 32 P 4.8633 0.0000 0.0000 62.1435 32.9258 174.9874 33 V 4.8079 8.7114 124.3216 61.0970 34.7871 173.9167 34 I 4.5412 8.3723 129.3213 60.0314 38.7263 174.9310 35 I 4.8822 9.2040 128.3205 59.7644 39.3166 174.5770 36 E 4.9056 9.1644 126.7534 54.0429 33.1263 175.4887 37 R 3.0065 8.3368 123.2512 56.1451 31.2264 176.2309 *38 Y 3.9843 8.2982 127.7132 57.9996 37.5910 178.0486 39 K 3.7669 9.0033 126.2809 57.3510 31.6909 176.5367 40 G 3.9871 7.9886 107.6755 45.6507 0.0000 173.6934 41 E 4.2075 8.1246 119.4422 55.8263 30.2760 181.0699 42 K 4.4993 8.7388 127.1758 55.6734 34.1120 174.9556 43 Q 4.3544 8.0958 115.0066 55.8593 28.4829 177.7680 44 L 4.9279 7.6120 116.5228 52.8011 44.3048 174.6792 45 P 4.5471 0.0000 0.0000 62.3538 32.1752 175.6184 46 V 4.1548 8.2695 121.3598 62.4334 32.0628 176.4159 47 L 4.2911 8.4788 129.9520 54.3578 40.8812 173.1984 48 D 4.4415 8.1374 118.6252 55.7261 40.2796 177.1046 49 K 4.3815 7.6150 120.3850 56.3543 34.3228 176.9926 50 T 4.7190 8.4095 110.3929 61.7364 70.6923 173.3911 51 K 5.0290 7.8293 123.9145 54.8509 34.3195 175.2667 52 F 4.7284 9.3526 125.3884 55.8195 42.9385 173.5577 53 L 4.8947 8.6768 124.2676 53.5931 42.7388 176.2151 54 V 4.5598 8.3556 124.3089 59.9437 34.9221 172.8628 55 P 4.7795 0.0000 0.0000 62.7736 31.8236 176.9890 56 D 4.4911 8.8035 124.1119 55.3083 39.5609 176.6789 57 H 4.5521 8.1577 114.1647 56.3109 29.4892 175.7317 58 V 3.8352 7.4599 114.8061 60.7454 32.6639 174.6649 59 N 5.4751 8.0394 118.4657 51.1780 39.8262 175.5332 60 M 4.1688 8.4923 119.3738 58.8105 31.7754 179.6517 61 S 4.1995 8.0015 121.9912 64.2163 62.3546 181.3713 62 E 4.1337 8.1265 121.4789 61.0330 29.3840 180.8322 63 L 4.1620 7.9267 120.7550 57.6747 41.3825 179.3438 64 V 3.7458 7.9125 120.8859 66.4178 31.4609 178.7676 65 K 4.1815 7.8319 122.9958 59.7009 31.4398 180.6947 66 I 3.9609 7.6611 121.2422 64.6133 36.8995 178.7625 67 I 3.3142 7.3252 121.3997 64.5340 36.9853 179.0417 68 R 3.5674 8.9932 124.5888 61.9010 29.1756 182.7244 69 R 4.0477 8.3987 118.7923 59.2588 29.5008 180.5937 70 R 4.1780 8.5264 116.7877 56.4082 29.4850 176.7733 71 L 4.3459 7.5020 118.0106 53.9679 42.8223 176.9125 72 Q 3.3654 7.8440 118.6146 56.3965 25.9486 179.6806 73 L 4.6931 7.6213 118.4266 52.5334 43.1666 178.5209 74 N 4.6014 8.5220 121.3259 50.9734 37.7994 174.1665 75 P 4.2735 0.0000 0.0000 66.2806 31.4258 178.5668 76 T 3.8694 7.9703 113.1294 63.9446 68.5712 179.9535 77 Q 4.2336 7.7856 118.4606 54.3582 27.6135 179.4936 78 A 4.3212 8.4684 126.4977 51.2913 19.1971 176.4068 79 F 5.0487 8.4804 123.1995 56.6145 42.9156 173.4858 80 F 4.3595 8.4657 124.2281 55.2649 42.1271 174.0320 81 L 4.4733 8.2990 125.1787 53.5000 43.3136 175.0096 82 L 4.8660 8.7701 127.2224 53.1687 44.2995 175.8395 83 V 4.3302 8.8872 123.1962 63.2333 33.5862 175.4639 84 N 4.2361 9.5944 127.1694 55.1883 39.7531 176.4083 85 Q 4.1626 5.7400 110.3304 55.1648 27.9445 175.8409 86 H 4.2853 8.0407 111.4689 56.0171 27.3869 176.2696 87 S 4.2066 8.3280 117.4247 58.5857 63.2018 172.8875 88 M 4.6309 8.5735 126.4722 54.7134 32.7104 176.7564 89 V 4.0949 8.2554 125.8518 60.3787 33.1492 172.7788 90 S 4.6547 8.1717 116.1995 58.0466 63.7873 175.7601 91 V 3.8799 8.3783 117.9438 66.9866 31.5274 178.1421 92 S 4.1264 8.1967 112.9217 61.5484 62.9614 174.8038 93 T 3.8743 7.5643 117.2152 62.8818 68.3563 172.1229 94 P 4.6015 0.0000 0.0000 62.6691 33.3739 177.2294 95 I 3.8141 8.5507 120.3120 63.8949 37.9060 178.0857 96 A 4.1311 8.2231 123.7941 55.9758 18.0764 179.6937 97 D 4.3810 8.1362 118.8785 58.8215 39.9405 180.7876 98 I 3.9457 7.5477 121.5485 64.2833 37.0715 177.9911 99 Y 4.1522 8.4302 120.8828 60.6196 38.3999 177.7265 100 E 3.8756 8.4029 119.6193 59.4819 29.8978 178.5869 101 Q 4.1794 8.2106 116.9649 57.9823 28.8732 176.7396 102 E 4.6492 8.0426 116.0438 55.0928 31.6485 176.3870 103 K 3.9778 7.6976 118.4135 56.9135 32.9647 176.3352 104 D 4.6801 9.4639 123.1637 54.3102 41.9588 177.6863 105 E 4.0418 8.9209 118.9899 58.9139 29.6842 178.6373 106 D 4.4067 8.6937 115.1408 54.0593 39.7640 177.3589 107 G 3.9415 8.8407 109.7209 45.3270 0.0000 174.0922 108 F 4.3277 8.5899 118.6250 57.3097 40.6489 174.1481 109 L 4.8531 8.6720 123.4849 53.9971 43.7821 174.6206 110 Y 4.9628 8.6765 124.3948 57.0130 39.8442 174.7482 111 M 5.3643 9.6367 123.1691 53.6691 36.7594 174.7875 112 V 5.6568 9.1274 113.0879 58.8834 36.1225 174.4166 113 Y 5.2783 7.6667 119.6781 55.7768 41.6561 173.8651 114 A 4.7505 8.2757 120.3745 52.2516 23.5491 175.6364 115 S 4.8614 8.4938 114.8677 59.0940 65.3060 175.0198 116 Q 3.8930 8.8060 120.0486 57.4854 28.6591 173.5059 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 R 8.24 4.38 0.00 1.85 1.79 0.00 3.23 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 6 P 0.00 4.38 0.00 2.33 2.23 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 7 F 10.35 3.98 0.00 3.38 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.54 4.42 0.00 1.77 1.88 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.47 7.81 9 Q 8.20 4.57 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 10 R 8.16 4.49 0.00 1.85 1.86 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 11 R 6.66 4.74 0.00 1.80 1.71 0.00 3.20 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 12 S 7.97 4.94 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.76 4.06 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.12 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.68 4.60 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.00 4.31 0.00 2.01 2.43 0.00 3.79 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 17 C 7.66 4.08 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.96 3.94 0.00 2.07 1.79 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.32 7.81 19 E 7.88 4.19 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 20 V 8.36 3.64 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.16 0.00 0.00 21 Q 8.50 3.72 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 22 Q 8.48 4.64 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 23 I 8.72 4.08 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.85 0.00 0.00 24 R 7.95 4.06 0.00 1.91 1.85 0.00 3.27 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 25 D 7.82 4.76 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.41 4.53 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.23 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 27 H 8.45 5.15 0.00 3.16 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.39 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.33 0.00 29 S 8.04 4.33 0.00 3.98 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.54 4.99 0.00 1.72 1.67 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 31 I 8.40 4.16 1.74 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.55 0.00 0.00 32 P 0.00 4.86 0.00 1.73 1.98 0.00 3.21 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 33 V 8.71 4.81 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.96 0.00 0.00 34 I 8.37 4.54 0.97 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.58 0.00 0.00 35 I 9.20 4.88 1.68 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.89 0.00 0.00 36 E 9.16 4.91 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 37 R 8.34 3.01 0.00 1.46 1.61 0.00 3.35 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.00 *38 Y 8.30 3.98 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 9.00 3.77 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.05 7.81 40 G 7.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.12 4.21 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 42 K 8.74 4.50 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 0.96 7.81 43 Q 8.10 4.35 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.64 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 44 L 7.61 4.93 0.00 1.77 1.88 1.25 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.55 0.00 2.24 2.12 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 46 V 8.27 4.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 47 L 8.48 4.29 0.00 1.69 1.44 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.14 4.44 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.62 4.38 0.00 1.60 1.67 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.05 0.48 7.81 50 T 8.41 4.72 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 51 K 7.83 5.03 0.00 1.78 1.68 0.00 1.95 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.56 7.81 52 F 9.35 4.73 0.00 3.03 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.68 4.89 0.00 1.46 1.51 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.36 4.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 55 P 0.00 4.78 0.00 2.27 2.21 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 56 D 8.80 4.49 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.16 4.55 0.00 3.29 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.46 3.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.02 0.00 0.00 59 N 8.04 5.48 0.00 3.24 2.93 0.00 0.00 5.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.49 4.17 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 61 S 8.00 4.20 0.00 3.68 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.13 4.13 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 63 L 7.93 4.16 0.00 1.78 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.91 3.75 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 65 K 7.83 4.18 0.00 1.84 1.80 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.35 7.81 66 I 7.66 3.96 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 1.00 0.00 0.00 67 I 7.33 3.31 1.89 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.74 0.00 0.00 68 R 8.99 3.57 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 69 R 8.40 4.05 0.00 1.69 1.97 0.00 3.23 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 70 R 8.53 4.18 0.00 1.74 2.02 0.00 3.23 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 71 L 7.50 4.35 0.00 1.53 1.53 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.84 3.37 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.61 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 73 L 7.62 4.69 0.00 1.64 1.47 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.52 4.60 0.00 2.84 2.97 0.00 0.00 6.01 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.27 0.00 2.18 2.20 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 76 T 7.97 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 77 Q 7.79 4.23 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 78 A 8.47 4.32 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.48 5.05 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.47 4.36 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.30 4.47 0.00 1.53 1.56 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.77 4.87 0.00 1.62 1.56 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.89 4.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 84 N 9.59 4.24 0.00 2.84 2.33 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 5.74 4.16 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.67 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 86 H 8.04 4.29 0.00 3.31 3.41 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.33 4.21 0.00 3.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.57 4.63 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 89 V 8.26 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 90 S 8.17 4.65 0.00 3.62 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.38 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 92 S 8.20 4.13 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.56 3.87 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 94 P 0.00 4.60 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 95 I 8.55 3.81 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 1.00 0.00 0.00 96 A 8.22 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.14 4.38 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.55 3.95 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.97 0.00 0.00 99 Y 8.43 4.15 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.40 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 101 Q 8.21 4.18 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 102 E 8.04 4.65 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 103 K 7.70 3.98 0.00 1.61 1.05 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.14 7.81 104 D 9.46 4.68 0.00 3.12 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.92 4.04 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 106 D 8.69 4.41 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.59 4.33 0.00 3.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.67 4.85 0.00 2.08 1.69 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.68 4.96 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 M 9.64 5.36 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 112 V 9.13 5.66 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 113 Y 7.67 5.28 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.28 4.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.49 4.86 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.81 3.89 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.