NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4878 8.3349 117.1052 58.4116 64.4767 173.3507 0 M 3.9772 7.9283 119.2885 54.6969 32.3157 176.2354 *6 D 4.5590 7.7852 119.7645 54.4330 44.2161 177.5827 7 Y 4.3262 7.5890 115.4742 59.0272 38.2605 176.6597 8 L 4.2634 7.4333 120.2210 55.9220 42.1535 176.5214 9 V 5.1363 7.5666 111.7246 59.7119 35.6443 175.2416 10 T 4.7045 8.7205 113.4047 60.2634 72.0255 173.1570 11 E 4.8923 8.8220 124.3425 55.9546 31.3959 175.1761 12 E 4.6844 8.7183 121.2782 55.0035 33.7329 173.3933 13 E 4.7549 8.7482 127.4860 55.5836 30.9569 175.2771 14 I 4.6371 8.8334 127.4811 59.4977 40.8348 174.0507 15 N 5.4688 8.9056 123.6490 51.5680 40.9141 173.7584 16 L 4.8641 9.0897 124.2462 53.2349 45.1527 175.5613 17 T 4.9991 8.2655 118.4912 61.6548 70.0750 174.6049 18 R 3.9718 9.1872 128.5114 56.5905 31.0199 176.7417 19 G 4.0159 8.7075 115.7216 43.5050 0.0000 172.2948 20 P 4.5013 0.0000 0.0000 63.7829 31.2170 176.8230 21 S 4.6019 8.1665 112.1280 58.0512 64.2127 174.0256 22 G 3.8696 8.0473 106.9881 44.7601 0.0000 174.5977 23 L 4.1572 8.5061 117.1068 55.4843 42.4242 177.4043 24 G 4.0279 9.2791 106.5639 45.4878 0.0000 172.3422 25 F 5.3805 7.2979 111.6111 55.3867 41.3474 172.9694 26 N 5.1171 9.3114 117.2848 51.4945 41.3120 173.9915 27 I 5.1586 8.1969 114.2921 59.3343 40.5512 174.7882 28 V 4.4920 8.8397 117.0109 60.0811 35.7049 173.7315 29 G 4.2438 8.8825 106.5911 44.3759 0.0000 173.6418 30 G 4.1219 8.5390 104.9179 44.7659 0.0000 175.2233 31 T 4.1242 8.8046 109.5942 63.3813 68.7203 174.9872 32 D 4.7538 8.1041 119.7688 53.8922 38.7043 176.4558 33 Q 4.5869 8.2417 118.4477 55.7894 29.7037 177.1139 34 Q 4.4264 8.5018 120.3959 58.3998 29.3848 177.6261 35 Y 4.3696 7.1924 116.6483 56.1916 36.5921 175.3962 *39 D 4.4509 7.8480 118.3617 54.8567 40.8090 175.4501 40 S 5.0176 8.3778 113.7886 58.3375 64.8167 174.3512 41 G 3.9415 8.2934 108.4510 46.2704 0.0000 172.4897 42 I 5.0091 7.8980 120.4519 60.1346 38.8588 174.8798 43 Y 5.1816 9.0179 124.3389 55.8817 42.2850 175.0209 44 V 4.3546 8.8733 123.5284 63.0558 31.8963 176.6123 45 S 4.5174 8.9684 123.4926 60.0845 64.3967 174.6003 46 R 4.7011 7.8186 118.8140 55.0248 33.4952 173.4856 47 I 4.9460 8.2334 125.8216 59.3387 39.6891 175.4901 48 K 4.2368 9.1038 127.5998 55.6966 33.1674 176.5543 49 E 4.0622 8.9034 125.4522 57.9047 30.0053 175.8620 50 N 4.1718 8.8997 120.7200 54.1700 36.5152 174.9132 51 G 4.0021 7.6876 105.6239 43.2227 0.0000 175.0796 52 A 4.0109 8.4594 121.0112 55.2443 18.3235 179.7356 53 A 3.9992 8.3991 119.1036 55.1773 18.2139 179.7593 54 A 3.9439 7.9229 117.8685 55.4044 18.6747 179.3918 55 L 4.0858 7.9757 116.5172 57.9115 41.7179 178.9834 56 D 4.4510 7.9972 117.4431 55.8422 41.3197 177.3645 57 G 4.0329 8.2674 106.8072 45.3444 0.0000 174.5911 58 R 4.1056 7.8019 117.7974 58.4187 30.5278 177.3425 59 L 4.2233 7.7019 118.5336 54.9778 42.9264 175.7793 60 Q 4.6558 9.1883 123.8085 53.4123 32.0966 174.7782 61 E 4.1433 8.6116 122.0216 57.9567 30.0357 177.2980 62 G 4.0655 9.0845 115.1163 45.0853 0.0000 173.5235 63 D 4.6843 8.0267 120.3800 54.4770 42.1256 175.4759 64 K 4.0891 8.8331 124.1331 55.6220 33.8628 175.3253 65 I 4.5092 8.2905 128.8010 60.0084 37.9307 175.5880 66 L 4.3855 9.1089 128.9840 57.0247 43.0628 177.1179 67 S 5.1393 7.6829 111.1193 57.1009 66.5627 174.1173 68 V 4.5894 8.2877 120.5400 61.1092 33.3004 175.6363 69 N 4.0980 10.1611 123.8624 54.2265 36.6143 175.3869 70 G 3.8561 8.3269 102.9459 45.6376 0.0000 173.4678 71 Q 4.4885 7.8457 119.9686 53.7788 30.0903 175.2227 72 D 4.8934 8.5163 123.0502 54.4167 41.5528 176.1718 73 L 4.6911 8.1673 121.6788 54.2237 42.4510 176.5901 74 K 4.2084 8.1505 119.9557 56.3077 33.2750 175.9176 75 N 4.1808 8.6255 124.8903 54.5102 36.2036 173.6453 76 L 4.7494 7.2542 116.3148 52.7468 44.7774 176.8351 77 L 4.4066 8.1467 120.5507 54.7593 43.4743 177.6786 78 H 4.1447 9.2914 122.9682 59.9437 29.7542 177.6573 79 Q 3.9930 8.1339 120.4122 59.1479 28.6975 177.6659 80 D 4.3310 8.0579 118.8303 57.0070 41.2848 177.9731 81 A 4.1737 8.0782 121.3756 55.1931 18.3613 179.6184 82 V 3.6463 7.9322 116.8169 66.6048 31.5769 177.9907 83 D 4.3785 8.4407 118.5316 57.3192 40.3552 178.8171 84 L 3.9708 7.5232 118.4201 57.6789 41.8442 179.3255 85 F 4.2139 8.1208 117.2240 60.7208 38.8536 177.9326 86 R 4.0987 8.2585 116.2710 58.6046 29.9543 177.9020 87 N 4.6168 8.0513 113.9791 52.7654 39.1716 175.3718 88 A 4.2241 7.1942 124.0632 52.0376 19.8561 178.6924 89 G 4.1156 8.1703 114.7674 46.3374 0.0000 174.7858 *90 Y 4.2650 8.5891 116.6785 59.3801 39.1834 175.1663 91 A 5.1086 7.9992 120.7134 49.9392 21.3441 176.0003 92 V 4.4522 9.0197 122.9933 61.2206 34.8055 174.0779 93 S 5.1949 9.5591 123.9204 56.9797 64.1222 172.5853 94 L 5.2109 9.1733 127.0492 52.9228 45.0921 175.2417 95 R 4.6801 8.6135 124.2580 55.0162 31.6719 175.4222 96 V 4.8658 8.6846 119.2991 59.4814 36.2244 174.4833 97 Q 4.8700 8.7216 124.1531 54.6016 31.1835 174.3416 98 H 5.2698 9.0740 125.3065 55.2227 30.1006 174.8478 99 R 5.0853 8.4584 121.2151 54.5204 32.4372 175.6960 100 L 4.2329 8.9638 124.4148 57.0784 42.3182 177.7182 101 E 4.3852 8.0875 117.2395 55.6007 30.5608 175.8377 102 S 4.6630 8.1944 116.8727 56.5827 66.4642 173.8509 103 S 4.5110 8.3626 118.6780 57.3768 64.1914 174.2538 104 I 4.0300 8.1489 123.4021 61.4677 37.3748 175.3378 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 -1 S 8.33 4.49 0.00 3.65 3.72 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 0 M 7.93 3.98 0.00 1.53 1.81 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 *6 D 7.79 4.56 0.00 2.77 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 7 Y 7.59 4.33 0.00 3.10 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.26 0.00 1.64 1.65 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.57 5.14 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 0.73 0.00 0.00 0.96 0.00 0.00 10 T 8.72 4.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 11 E 8.82 4.89 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 12 E 8.72 4.68 0.00 2.04 1.68 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 2.22 2.27 0.00 13 E 8.75 4.75 0.00 1.99 1.83 0.00 0.00 0.00 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 2.39 0.00 14 I 8.83 4.64 1.85 0.00 0.00 0.83 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 0.50 0.90 0.00 0.00 15 N 8.91 5.47 0.00 2.57 2.72 0.00 0.00 6.94 7.85 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 16 L 9.09 4.86 0.00 1.63 1.61 1.09 0.43 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 17 T 8.27 5.00 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 18 R 9.19 3.97 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 19 G 8.71 4.02 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 0.00 0.00 0.00 20 P 0.00 4.50 0.00 2.19 2.18 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 21 S 8.17 4.60 0.00 3.94 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 22 G 8.05 3.87 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 0.00 0.00 0.00 23 L 8.51 4.16 0.00 1.45 1.94 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.28 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 0.00 0.00 0.00 25 F 7.30 5.38 0.00 3.13 2.96 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 0.00 0.00 0.00 26 N 9.31 5.12 0.00 2.66 2.74 0.00 0.00 6.88 8.25 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 27 I 8.20 5.16 1.84 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.80 0.00 0.00 28 V 8.84 4.49 2.25 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 0.76 0.00 0.00 1.01 0.00 0.00 29 G 8.88 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 0.00 0.00 0.00 30 G 8.54 4.12 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 0.00 0.00 0.00 31 T 8.80 4.12 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 1.28 0.00 0.00 32 D 8.10 4.75 0.00 2.87 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 33 Q 8.24 4.59 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 34 Q 8.50 4.43 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.75 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 35 Y 7.19 4.37 0.00 3.09 3.03 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 *39 D 7.85 4.45 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.38 5.02 0.00 3.82 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 41 G 8.29 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 42 I 7.90 5.01 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 1.02 0.00 0.00 43 Y 9.02 5.18 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 4.35 2.20 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 1.02 0.00 0.00 0.77 0.00 0.00 45 S 8.97 4.52 0.00 3.93 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 46 R 7.82 4.70 0.00 1.98 1.78 0.00 3.24 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.23 0.00 47 I 8.23 4.95 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 1.00 0.00 0.00 48 K 9.10 4.24 0.00 1.88 1.74 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.46 1.26 7.81 49 E 8.90 4.06 0.00 2.19 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 2.29 1.91 0.00 50 N 8.90 4.17 0.00 2.91 2.88 0.00 0.00 6.95 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.69 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 0.00 0.00 0.00 52 A 8.46 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 4.09 0.00 1.77 1.76 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.00 4.45 0.00 2.69 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 57 G 8.27 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 0.00 0.00 0.00 58 R 7.80 4.11 0.00 1.97 2.01 0.00 3.35 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 59 L 7.70 4.22 0.00 1.44 1.44 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 9.19 4.66 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 61 E 8.61 4.14 0.00 1.93 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 2.30 2.40 0.00 62 G 9.08 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.03 4.68 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 4.09 0.00 1.71 1.53 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.07 0.44 7.81 65 I 8.29 4.51 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 1.10 0.00 0.00 66 L 9.11 4.39 0.00 1.62 1.65 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.68 5.14 0.00 3.87 3.85 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 68 V 8.29 4.59 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.67 0.00 0.00 69 N 10.16 4.10 0.00 2.71 2.85 0.00 0.00 7.14 7.69 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 70 G 8.33 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 71 Q 7.85 4.49 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 72 D 8.52 4.89 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.17 4.69 0.00 1.71 1.65 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.15 4.21 0.00 1.67 1.70 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.51 7.81 75 N 8.63 4.18 0.00 2.88 2.85 0.00 0.00 7.05 7.85 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 76 L 7.25 4.75 0.00 1.72 1.58 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.15 4.41 0.00 1.85 1.63 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 78 H 9.29 4.14 0.00 3.50 3.38 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.13 3.99 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 80 D 8.06 4.33 0.00 2.85 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 81 A 8.08 4.17 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.93 3.65 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 1.11 0.00 0.00 0.83 0.00 0.00 83 D 8.44 4.38 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.52 3.97 0.00 1.61 1.51 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.12 4.21 0.00 3.17 3.03 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 86 R 8.26 4.10 0.00 1.80 2.00 0.00 3.16 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 87 N 8.05 4.62 0.00 2.80 2.85 0.00 0.00 6.95 6.62 0.00 0.00 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 A 7.19 4.22 1.34 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 0.00 0.00 0.00 89 G 8.17 4.12 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 0.00 0.00 0.00 *90 Y 8.59 4.26 0.00 2.26 2.36 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 91 A 8.00 5.11 1.21 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 0.00 0.00 0.00 0.00 0.00 92 V 9.02 4.45 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 1.10 0.00 0.00 0.98 0.00 0.00 93 S 9.56 5.19 0.00 3.93 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 94 L 9.17 5.21 0.00 1.63 1.53 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.61 4.68 0.00 1.87 1.76 0.00 3.00 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 96 V 8.68 4.87 2.04 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 0.61 0.00 0.00 0.78 0.00 0.00 97 Q 8.72 4.87 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 98 H 9.07 5.27 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.46 5.09 0.00 1.70 1.96 0.00 3.37 0.00 0.00 3.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 100 L 8.96 4.23 0.00 1.54 1.74 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.09 4.39 0.00 1.94 1.84 0.00 0.00 0.00 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 2.28 0.00 102 S 8.19 4.66 0.00 3.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.36 4.51 0.00 3.89 3.77 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 0.00 104 I 8.15 4.03 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.