NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3263 8.1733 120.0849 56.4101 35.2591 175.3021 4 I 4.1855 7.1756 121.7225 59.9237 38.0002 173.1839 5 R 5.3352 9.6887 130.2685 54.3766 31.9466 174.7278 6 I 5.0422 8.0990 117.9869 59.1699 40.6224 174.8938 7 K 4.3592 9.0151 125.9937 55.6286 34.6521 176.0299 8 L 5.5721 8.2656 121.4549 52.8196 43.7463 176.3962 9 R 4.5749 8.4236 123.8041 54.0611 33.2562 173.5632 10 G 3.9930 7.7850 106.3871 45.0911 0.0000 172.4789 11 F 5.2399 7.8715 117.6004 57.6865 42.3340 174.1141 12 D 4.4780 8.4658 120.0693 55.7845 41.9634 176.8758 13 H 4.9421 8.6577 118.9789 55.1990 28.4172 174.8146 14 K 4.3005 7.7650 122.2490 57.2884 33.8966 177.9281 15 T 4.1910 7.7978 108.3408 63.5251 69.6310 176.4886 16 L 4.0736 7.5723 122.1523 56.3090 42.1942 176.6653 17 D 4.5977 7.9144 115.7757 55.7127 42.4776 177.1369 18 A 4.1520 7.5445 123.1630 54.8658 18.5728 178.7742 19 S 4.4265 8.1660 107.3268 58.4666 63.2163 174.3997 20 A 4.5639 7.8208 122.7529 52.4434 20.3529 177.1890 21 Q 4.3621 7.5762 115.2115 56.0871 30.0630 177.3095 22 K 4.0489 7.9130 118.6898 60.0367 32.5294 178.3908 23 I 4.2429 7.6560 116.3108 61.6711 36.0910 176.6332 24 V 4.2508 8.0694 121.9886 63.5059 33.4232 177.1219 25 E 4.3380 7.7604 117.2667 57.2176 29.7024 177.3305 26 A 4.5635 7.8257 118.0330 51.9403 18.8739 177.0932 27 A 4.7325 7.5906 120.4344 51.8989 20.2714 178.8992 28 R 4.1530 7.3359 112.4634 58.1574 30.4027 177.9403 29 R 4.2592 7.9219 116.4064 57.0336 30.6180 176.8773 30 S 4.7040 9.1933 112.3204 58.0913 63.9824 172.5839 31 G 4.2942 7.6633 108.9744 44.8922 0.0000 175.2179 32 A 4.1399 8.2933 131.3729 51.9159 18.7245 177.0780 33 Q 4.3188 8.2956 117.5465 56.1017 30.3464 176.1059 34 V 4.7440 8.0462 120.6065 60.8244 34.0526 175.0200 35 S 4.0967 8.9157 124.1068 58.5123 63.7269 174.9073 36 G 3.7726 8.8103 114.0359 44.7281 0.0000 169.9122 37 P 4.5278 0.0000 0.0000 63.0714 31.3672 176.0399 38 I 4.3758 8.6976 120.0960 58.6560 39.6289 173.2632 39 P 4.9427 0.0000 0.0000 61.4118 31.4996 175.5363 40 L 4.5634 8.3255 125.7730 53.5458 42.3509 174.8260 41 P 4.1764 0.0000 0.0000 63.6260 31.2725 175.9335 42 T 4.2167 8.3995 119.4097 63.3394 69.0815 174.5065 43 R 4.2108 8.4857 127.3398 55.7416 30.7915 176.2854 44 V 4.3506 8.2800 124.1865 62.0555 33.3766 176.2364 45 R 4.4980 8.2821 122.3996 54.6713 32.7100 172.8494 46 R 4.5958 8.4790 121.6114 53.1361 31.6841 175.3811 47 F 5.0608 7.2311 118.7760 55.2436 41.0714 174.0580 48 T 4.8069 8.6853 117.7823 61.8532 70.9292 173.8048 49 V 4.3991 8.4792 124.9322 60.8336 34.9321 174.7508 50 I 4.0866 8.5843 127.9530 61.5365 36.3314 176.6786 51 R 3.9121 8.6571 125.9231 59.0691 29.9481 177.9914 52 G 3.8570 7.7882 106.1255 44.3419 0.0000 172.5684 53 P 4.6654 0.0000 0.0000 63.7967 33.4007 176.1569 54 F 4.9342 8.2151 117.7467 58.4217 39.1240 177.7375 55 K 4.3725 9.1819 114.2984 54.4341 32.9024 174.7918 56 H 4.8577 7.8606 119.1312 53.5511 30.2953 174.3250 57 K 3.9509 8.2438 121.3314 58.3822 32.6617 176.6763 58 D 4.6673 7.7640 119.0371 55.0598 43.4581 177.7025 59 S 3.5618 7.5155 109.2277 60.4888 60.7274 171.4476 60 R 4.4512 7.3187 122.1093 55.6692 31.7791 175.7748 61 E 4.6671 8.8890 119.1124 54.4557 32.4387 174.1515 62 H 4.9678 8.3351 120.5657 53.7579 31.8846 172.2220 63 F 5.2241 8.2430 116.8708 55.7556 42.8440 173.8694 64 E 4.3601 8.6939 117.5947 54.5640 32.4574 175.6293 65 L 4.3959 7.9771 121.6216 53.3239 44.4277 175.2699 66 R 4.2826 8.4129 125.5181 55.6376 30.6210 177.0372 67 T 4.6123 8.3986 123.3353 62.7640 68.6416 173.4005 68 H 4.8447 8.6363 122.9110 54.7457 28.2270 174.8380 69 N 4.8018 8.5076 120.3674 53.4509 39.5714 174.5545 70 R 4.8033 8.6757 120.6400 55.0680 34.2688 173.2919 71 L 4.9599 9.0129 127.7924 53.2933 45.0490 175.1985 72 V 4.6892 8.3177 124.1096 61.3809 35.2806 173.4026 73 D 5.2455 8.6442 126.2069 52.3598 42.8893 174.7273 74 I 4.7390 7.8650 115.7711 59.1279 39.2089 176.5904 75 I 3.9426 8.7243 121.4105 63.1482 38.0771 176.2112 76 N 4.9684 7.9265 119.7939 50.6713 41.4399 172.8324 77 P 4.5684 0.0000 0.0000 61.4815 29.9579 175.4996 78 N 4.5650 7.9946 124.4673 54.1235 39.4222 176.1268 79 R 4.0923 8.2841 117.6263 57.2999 31.0796 178.7317 80 K 4.1025 8.0433 119.8727 59.6814 32.3893 178.5302 81 T 3.9060 7.8540 109.5811 64.8696 67.2936 175.6312 82 I 3.9175 7.4304 120.8248 62.5306 36.8484 176.6210 83 E 4.5090 7.8569 119.0741 56.4566 30.7972 177.1865 84 Q 4.2117 7.6796 117.6164 58.7947 29.3787 177.8567 85 L 3.9850 8.4663 120.1588 58.0077 41.6356 179.2101 86 M 4.1401 7.4379 114.2312 57.6799 32.1849 176.5237 87 T 4.4904 7.3805 105.6975 61.2568 70.7895 174.5679 88 L 4.2738 7.6585 125.6090 53.3607 40.3345 173.2106 89 D 4.7663 7.9805 119.2642 52.2452 42.2392 176.9788 90 L 4.6508 8.0963 128.0621 52.7313 41.9115 175.6801 91 P 4.6421 0.0000 0.0000 61.3033 31.4805 176.0020 92 T 4.0215 8.4478 119.9191 65.1178 67.5365 175.7579 93 G 4.1095 7.6157 108.3358 44.7203 0.0000 172.5295 94 V 4.4994 7.8488 118.4008 60.5849 34.7240 173.9005 95 E 4.8899 8.4047 124.3254 54.4730 33.3554 175.2401 96 I 5.1853 7.9518 117.9420 60.4157 39.4842 174.1662 97 E 4.5184 8.7593 126.9820 55.6542 31.8333 175.8523 98 I 5.0728 8.0073 121.0344 60.2908 40.8588 174.5770 99 K 4.8555 9.5742 126.7729 54.6139 36.9075 175.1132 100 T 5.2951 8.2339 112.1826 59.7937 70.8037 175.2978 *101 V 3.9074 8.3732 122.7275 60.8659 32.4044 172.0758 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 3 K 8.17 4.33 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.66 7.81 4 I 7.18 4.19 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.91 0.00 0.00 5 R 9.69 5.34 0.00 1.79 1.87 0.00 3.07 0.00 0.00 3.43 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 6 I 8.10 5.04 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.95 0.91 0.00 0.00 7 K 9.02 4.36 0.00 1.65 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.55 7.81 8 L 8.27 5.57 0.00 1.75 1.53 0.96 1.31 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 9 R 8.42 4.57 0.00 1.68 1.79 0.00 3.07 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 10 G 7.78 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 11 F 7.87 5.24 0.00 3.04 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 12 D 8.47 4.48 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.94 0.00 3.14 2.99 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.76 4.30 0.00 1.64 1.75 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.35 7.81 15 T 7.80 4.19 4.25 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 1.27 0.00 0.00 16 L 7.57 4.07 0.00 1.65 1.94 0.98 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.91 4.60 0.00 2.83 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 18 A 7.54 4.15 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 19 S 8.17 4.43 0.00 3.99 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 20 A 7.82 4.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.58 4.36 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 22 K 7.91 4.05 0.00 1.98 1.77 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.40 7.81 23 I 7.66 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.91 0.00 0.00 24 V 8.07 4.25 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 1.00 0.00 0.00 0.93 0.00 0.00 25 E 7.76 4.34 0.00 1.91 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 0.00 2.30 2.50 0.00 26 A 7.83 4.56 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 4.73 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 28 R 7.34 4.15 0.00 1.83 2.00 0.00 3.16 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 29 R 7.92 4.26 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 30 S 9.19 4.70 0.00 4.18 4.17 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 0.00 0.00 0.00 0.00 31 G 7.66 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 0.00 0.00 0.00 0.00 32 A 8.29 4.14 1.26 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 0.00 0.00 0.00 33 Q 8.30 4.32 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.05 4.74 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 0.87 0.00 0.00 0.97 0.00 0.00 35 S 8.92 4.10 0.00 3.96 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 36 G 8.81 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 0.00 0.00 0.00 37 P 0.00 4.53 0.00 1.95 2.07 0.00 3.67 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 2.03 2.22 0.00 38 I 8.70 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 0.95 0.00 0.00 39 P 0.00 4.94 0.00 2.10 2.15 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 40 L 8.33 4.56 0.00 1.67 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.18 0.00 2.20 2.13 0.00 3.76 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 1.99 2.01 0.00 42 T 8.40 4.22 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 1.11 0.00 0.00 43 R 8.49 4.21 0.00 1.73 1.89 0.00 3.27 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 44 V 8.28 4.35 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 0.71 0.00 0.00 0.89 0.00 0.00 45 R 8.28 4.50 0.00 1.79 1.84 0.00 3.49 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 46 R 8.48 4.60 0.00 1.50 1.57 0.00 3.07 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.00 47 F 7.23 5.06 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.69 4.81 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 1.17 0.00 0.00 49 V 8.48 4.40 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 1.09 0.00 0.00 0.99 0.00 0.00 50 I 8.58 4.09 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.94 0.00 0.00 51 R 8.66 3.91 0.00 1.90 2.02 0.00 3.36 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 G 7.79 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 53 P 0.00 4.67 0.00 2.26 2.23 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 54 F 8.22 4.93 0.00 2.92 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.18 4.37 0.00 1.24 1.36 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.21 7.81 56 H 7.86 4.86 0.00 3.12 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.24 3.95 0.00 1.71 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.39 7.81 58 D 7.76 4.67 0.00 2.62 2.63 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 59 S 7.52 3.56 0.00 4.02 4.17 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 0.00 0.00 0.00 0.00 60 R 7.32 4.45 0.00 2.03 1.95 0.00 2.93 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 61 E 8.89 4.67 0.00 1.90 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.07 0.00 62 H 8.34 4.97 0.00 3.08 3.07 0.00 5.54 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 63 F 8.24 5.22 0.00 3.09 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 64 E 8.69 4.36 0.00 1.81 1.78 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 2.15 2.21 0.00 65 L 7.98 4.40 0.00 1.70 1.62 0.39 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.41 4.28 0.00 1.73 1.63 0.00 3.30 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 67 T 8.40 4.61 4.40 0.00 0.00 0.00 0.00 0.00 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 68 H 8.64 4.84 0.00 3.07 3.33 0.00 5.90 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 69 N 8.51 4.80 0.00 2.62 2.75 0.00 0.00 6.88 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 70 R 8.68 4.80 0.00 1.89 1.71 0.00 3.04 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 71 L 9.01 4.96 0.00 1.76 1.45 0.92 1.01 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 72 V 8.32 4.69 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 0.98 0.00 0.00 0.93 0.00 0.00 73 D 8.64 5.25 0.00 2.64 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 74 I 7.86 4.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.91 0.00 0.00 75 I 8.72 3.94 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.93 0.00 0.00 76 N 7.93 4.97 0.00 2.62 2.68 0.00 0.00 6.98 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 77 P 0.00 4.57 0.00 2.22 2.06 0.00 3.82 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 1.97 1.98 0.00 78 N 7.99 4.56 0.00 2.84 2.82 0.00 0.00 7.00 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 79 R 8.28 4.09 0.00 1.80 1.97 0.00 3.36 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 80 K 8.04 4.10 0.00 1.86 1.93 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.72 7.81 81 T 7.85 3.91 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 1.25 0.00 0.00 82 I 7.43 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.09 0.91 0.00 0.00 83 E 7.86 4.51 0.00 1.96 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 2.23 2.31 0.00 84 Q 7.68 4.21 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 85 L 8.47 3.99 0.00 1.64 1.70 0.92 1.03 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 86 M 7.44 4.14 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 87 T 7.38 4.49 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 88 L 7.66 4.27 0.00 1.81 1.67 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.98 4.77 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.65 0.00 1.51 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.64 0.00 2.37 2.07 0.00 3.82 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 92 T 8.45 4.02 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 1.22 0.00 0.00 93 G 7.62 4.11 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 0.00 0.00 0.00 94 V 7.85 4.50 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 0.84 0.00 0.00 0.93 0.00 0.00 95 E 8.40 4.89 0.00 2.01 1.66 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 0.00 2.13 2.22 0.00 96 I 7.95 5.19 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.95 0.00 0.00 97 E 8.76 4.52 0.00 1.90 1.89 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 2.34 2.26 0.00 98 I 8.01 5.07 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.38 0.95 0.00 0.00 99 K 9.57 4.86 0.00 1.58 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.23 5.30 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 *101 V 8.37 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.