NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6951 8.3644 121.4708 53.6483 41.9414 174.4204 3 Q 4.1180 8.4546 123.6511 54.6755 30.4509 173.8620 4 K 4.6105 8.8625 125.4605 56.1065 33.7388 177.3601 5 L 4.0531 8.8947 124.8540 58.3026 41.6845 179.7261 6 S 4.1206 8.2722 114.3321 61.7880 62.7403 176.4116 7 D 4.4658 8.0975 122.4018 56.5989 40.3865 178.2773 8 F 4.1564 8.2492 120.4764 61.8485 39.5105 176.7138 9 H 4.1183 8.4098 114.2103 58.5849 28.7876 177.3257 10 A 4.3154 8.3958 124.4173 54.5799 18.0296 179.6416 11 E 3.8288 7.6528 116.5888 60.8773 29.7356 183.8751 *13 G 3.8605 7.9391 103.4893 44.5068 0.0000 173.6863 14 G 3.9693 8.1111 110.2115 44.4484 0.0000 174.6638 15 C 4.2674 8.3956 115.2673 62.4955 28.1241 175.7823 16 E 5.1619 8.3755 115.0996 57.0474 29.5726 177.8519 17 S 4.2908 7.9431 115.0089 60.8628 63.3557 174.9066 18 C 4.6824 8.1496 116.9355 59.6599 30.5137 173.0422 19 H 5.0644 8.0752 117.1106 53.1894 30.5339 173.7276 20 K 3.9796 8.1955 125.3678 57.7041 32.2193 176.2129 21 D 4.1010 9.6424 124.3923 55.1616 38.3960 174.2142 22 G 3.9716 8.4348 104.1891 46.2596 0.0000 173.8254 23 T 4.5376 7.6357 115.8204 60.1911 71.0403 172.5191 24 P 4.4459 0.0000 0.0000 62.6980 31.8926 176.3468 25 S 4.4567 8.7014 115.7505 57.2863 64.2543 174.3400 26 A 4.1290 8.6190 123.9761 54.5867 18.1210 178.1795 27 D 4.7628 8.0036 111.2164 52.4321 40.6453 176.9350 28 G 4.2309 8.5643 108.4795 45.8423 0.0000 175.6085 29 A 4.1499 8.5882 123.2274 55.0436 18.3736 179.9614 30 F 4.0479 8.3357 118.7508 61.5143 39.6309 177.0301 31 E 4.2952 8.3816 119.0942 58.8753 29.4662 178.8434 32 F 4.4192 8.4642 120.4890 61.4090 39.4105 176.9934 33 A 3.6646 8.0687 120.2974 55.0761 17.7317 179.6678 34 Q 3.7333 7.8375 116.4710 59.2038 28.7978 178.5571 35 C 4.1127 8.1580 117.7831 63.2490 28.1895 176.4217 36 Q 4.5978 7.7417 120.1726 58.2215 27.9827 178.3901 37 S 3.9820 7.8056 113.7488 61.2887 62.3720 175.3315 38 C 4.3338 7.5830 117.2851 61.1652 28.6863 174.7368 39 H 4.7973 8.3673 115.1092 55.5432 30.1740 174.9565 40 G 3.7629 8.6886 110.2119 45.0014 0.0000 172.9068 41 K 4.8336 8.0156 118.3149 52.3033 34.3057 173.1488 42 L 4.1818 8.5563 119.8687 58.3065 41.7264 180.0427 43 S 4.1939 8.2794 114.2453 61.0810 63.0602 175.1891 *44 E 4.5112 8.1815 115.6977 55.6868 29.7117 180.1135 45 M 4.7364 7.5685 119.8313 54.2755 34.8656 175.0584 46 D 4.7171 8.1593 118.6629 53.2040 42.4335 176.1413 47 A 4.0267 8.4633 119.8172 54.9488 18.4032 179.6114 48 V 3.7688 7.8451 116.1313 66.0898 32.1083 177.5559 49 H 4.3612 8.6484 115.8711 58.7577 28.8163 177.3555 50 K 4.0583 8.3588 121.7027 59.2774 31.7762 176.5780 51 P 4.3789 0.0000 0.0000 64.6779 31.5244 176.3744 52 H 4.6067 8.2097 115.1556 55.4108 29.2537 174.4194 53 D 4.5538 7.8941 120.8223 55.9796 41.1044 176.4414 54 G 4.0866 9.3114 115.4986 45.2422 0.0000 173.1465 55 N 4.8341 8.1668 115.3203 53.5734 40.7997 174.7952 56 L 4.8526 7.6125 114.9544 52.8234 45.3176 176.1963 57 V 3.3053 8.1007 114.4161 59.5402 33.3834 177.2632 58 C 4.0887 8.6690 118.3301 63.2653 27.9464 176.3527 59 A 4.9189 7.7591 119.0710 53.7509 18.1200 178.0158 60 D 4.4839 7.9380 115.3037 56.3058 41.2769 176.8367 61 C 4.4112 8.0449 114.4761 61.3264 30.0644 174.1645 62 H 4.4658 8.2071 121.1448 54.6082 27.2240 173.9426 63 A 4.5242 8.0910 128.2730 50.8043 17.4086 178.2634 64 V 3.7228 8.1172 115.7624 64.7036 32.0563 178.1561 65 H 4.6259 8.1311 114.0442 55.9590 29.0986 175.3021 66 D 4.8234 7.9472 117.6631 54.5816 42.9349 176.2121 67 M 4.5238 8.0152 118.8238 53.7346 33.7425 175.5208 68 N 5.0596 8.3045 119.5013 51.9377 40.0292 174.8527 69 V 3.5480 7.8594 120.3522 64.7579 31.7342 176.9216 70 G 3.8003 8.6942 114.1350 45.4399 0.0000 172.7744 71 Q 4.1994 7.9998 124.0173 55.2770 29.2430 175.6965 72 K 4.3958 8.3828 127.4310 52.6972 32.8914 171.4581 73 P 4.3606 0.0000 0.0000 62.3203 31.7833 175.7016 74 T 4.6274 8.0986 110.6832 60.3789 71.4894 173.3077 75 C 4.7629 8.2370 115.9866 59.7178 28.8382 175.9521 76 E 4.5344 8.3302 117.1764 57.8443 29.5300 178.9895 77 S 4.3240 8.0540 113.6244 60.4539 63.3470 174.5829 78 C 4.6745 7.5243 116.5098 59.4615 30.4920 173.7281 79 H 4.9390 8.2544 116.6621 54.1492 30.3462 174.5072 80 D 4.7422 8.6659 122.2762 54.6815 41.3951 176.6263 81 D 4.5624 8.0754 118.0719 52.9555 39.7648 177.1174 82 G 3.9010 8.2455 107.2770 45.9283 0.0000 174.2299 83 R 4.0971 7.8881 115.7951 56.1067 30.1814 176.1413 84 T 4.7539 8.4357 109.4236 59.0161 73.3152 175.1591 85 S 4.0864 8.5325 115.5948 61.6094 62.8505 176.2128 86 A 4.1660 8.0348 124.2228 55.0052 17.9004 179.6330 87 S 4.0924 7.8405 111.5389 61.2850 63.1400 176.5345 88 V 3.8041 7.4225 120.3864 65.5841 31.0419 177.8049 89 L 4.0895 8.3627 119.1285 55.5369 41.2711 177.8986 90 K 3.8741 8.1187 118.5217 57.1486 30.3249 176.0725 91 K 4.1487 7.5091 121.7630 55.1812 32.7966 177.9412 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 *2 D 8.36 4.70 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.45 4.12 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.01 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 4 K 8.86 4.61 0.00 1.76 1.90 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 L 8.89 4.05 0.00 1.92 1.87 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.27 4.12 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.10 4.47 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.16 0.00 3.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.41 4.12 0.00 3.29 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.40 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 11 E 7.65 3.83 0.00 2.04 1.93 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 2.28 2.24 0.00 *13 G 7.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.40 4.27 0.00 3.05 3.08 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 16 E 8.38 5.16 0.00 2.12 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 0.00 2.30 2.23 0.00 17 S 7.94 4.29 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.15 4.68 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.08 5.06 0.00 3.34 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.20 3.98 0.00 0.79 1.08 0.00 1.69 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.15 7.81 21 D 9.64 4.10 0.00 2.79 2.69 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 22 G 8.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.64 4.54 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 24 P 0.00 4.45 0.00 2.14 1.93 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 25 S 8.70 4.46 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.00 4.76 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 28 G 8.56 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.59 4.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.05 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 31 E 8.38 4.30 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 32 F 8.46 4.42 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.07 3.66 1.14 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 0.00 0.00 34 Q 7.84 3.73 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 1.96 2.64 0.00 35 C 8.16 4.11 0.00 3.10 3.06 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 0.00 0.00 0.00 0.00 36 Q 7.74 4.60 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.27 1.88 0.00 37 S 7.81 3.98 0.00 3.81 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.58 4.33 0.00 2.85 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 39 H 8.37 4.80 0.00 3.25 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.69 3.76 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 0.00 0.00 0.00 41 K 8.02 4.83 0.00 1.68 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.00 7.81 42 L 8.56 4.18 0.00 1.80 1.85 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.28 4.19 0.00 3.99 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 0.00 *44 E 8.18 4.51 0.00 2.01 1.85 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 2.17 2.12 0.00 45 M 7.57 4.74 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.40 0.00 46 D 8.16 4.72 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.46 4.03 1.33 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 0.00 0.00 48 V 7.85 3.77 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 49 H 8.65 4.36 0.00 3.34 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.36 4.06 0.00 2.07 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 51 P 0.00 4.38 0.00 1.89 2.02 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 52 H 8.21 4.61 0.00 3.43 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.89 4.55 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.31 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.17 4.83 0.00 2.81 2.84 0.00 0.00 6.74 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.61 4.85 0.00 1.55 1.44 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.10 3.31 1.17 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 -0.02 0.00 0.00 0.74 0.00 0.00 58 C 8.67 4.09 0.00 3.13 3.12 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 0.00 0.00 0.00 59 A 7.76 4.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.48 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.04 4.41 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.47 0.00 3.19 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.09 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.12 3.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 65 H 8.13 4.63 0.00 3.17 3.37 0.00 5.71 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 66 D 7.95 4.82 0.00 2.78 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 67 M 8.02 4.52 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 68 N 8.30 5.06 0.00 2.73 2.71 0.00 0.00 6.71 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.86 3.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.72 0.00 0.00 70 G 8.69 3.80 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 0.00 0.00 0.00 71 Q 8.00 4.20 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 72 K 8.38 4.40 0.00 1.81 1.57 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 1.02 7.81 73 P 0.00 4.36 0.00 1.92 2.07 0.00 3.56 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 74 T 8.10 4.63 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 75 C 8.24 4.76 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.33 4.53 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 77 S 8.05 4.32 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.52 4.67 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.94 0.00 3.29 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.67 4.74 0.00 2.67 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 81 D 8.08 4.56 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.25 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 0.00 0.00 0.00 83 R 7.89 4.10 0.00 1.93 1.99 0.00 2.71 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 84 T 8.44 4.75 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 85 S 8.53 4.09 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.03 4.17 1.33 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 0.00 0.00 87 S 7.84 4.09 0.00 4.06 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 88 V 7.42 3.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 89 L 8.36 4.09 0.00 1.81 1.76 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.12 3.87 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.49 7.81 91 K 7.51 4.15 0.00 1.76 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.30 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.