NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8226 8.1633 120.2784 55.2594 34.2456 173.9725 2 K 4.6664 8.8859 120.9817 53.6984 36.8755 173.6636 3 K 4.7025 9.6326 126.6867 55.6761 34.4576 175.1427 4 V 4.7473 9.2277 127.5068 61.1815 34.1814 173.6741 5 E 5.0261 9.4263 130.1168 54.5799 31.8426 174.1346 6 A 4.9666 8.9124 129.8821 50.2353 21.8344 175.1345 7 I 4.8000 8.4877 124.6995 59.8994 38.6082 174.9347 8 I 4.7468 8.4174 120.7370 58.2735 41.4481 175.2948 9 R 4.0943 8.0356 121.0508 55.2426 30.5349 176.1523 10 P 4.1556 0.0000 0.0000 65.7996 31.3990 178.0661 11 F 4.5677 7.5890 109.7048 58.0383 38.3307 176.2470 12 K 4.6022 7.7543 122.4726 55.8493 32.1353 177.8354 13 L 3.9150 7.5568 122.6949 58.2022 41.9046 178.4143 14 D 4.3519 8.1045 118.5235 56.6886 38.9766 178.3133 15 E 3.9597 8.1576 118.8872 58.3750 29.5822 179.0059 16 V 3.6154 7.7277 119.5715 65.5261 31.5318 177.8162 17 K 3.9028 8.4255 119.8475 59.5691 31.9660 178.8155 18 I 3.6672 8.0728 120.0649 64.4060 36.5819 178.2248 19 A 3.9865 8.0413 121.5344 55.1486 18.1663 179.7861 20 L 3.9732 8.1556 117.5878 57.7717 41.7670 179.7595 21 V 3.5792 8.0102 118.4133 66.2169 31.3688 177.8269 22 N 4.4027 8.3344 113.8373 55.2983 38.4601 175.6246 23 A 4.2962 7.4816 118.7221 51.8905 19.1995 178.0250 24 G 3.8885 8.1802 104.4402 45.2836 0.0000 173.6391 25 I 3.9613 7.5895 121.0882 60.1948 37.4542 175.5527 26 V 4.0548 8.5511 126.0522 63.4958 32.0184 175.3264 27 G 3.9660 10.4094 115.8375 46.1638 0.0000 171.4759 28 M 4.9558 8.0386 119.3426 54.5276 34.4498 173.8770 29 T 4.7145 8.8924 116.7885 61.8044 71.7345 173.4328 30 V 5.1066 8.3905 124.8781 61.2240 34.6021 174.5374 31 S 4.7790 8.9548 120.4691 56.8298 66.9518 172.5174 32 E 4.8160 8.6928 120.7459 56.0174 30.3979 176.1157 33 V 4.6182 8.7803 116.2087 59.9256 37.1084 174.2004 34 R 4.8400 8.6483 120.5214 54.5610 32.0175 175.9690 35 G 4.0704 8.9164 112.5496 44.8960 0.0000 172.5073 36 F 4.5902 9.0049 125.6423 55.8356 40.2451 175.5970 *55 F 4.0613 8.2699 119.7193 56.2687 38.8748 173.6733 56 L 4.7074 7.8667 122.1627 52.9781 44.9684 175.6120 57 Q 4.5103 8.9704 125.4603 56.3857 29.4333 175.7153 58 K 4.8439 9.3262 122.1729 54.6892 37.4692 174.8722 59 L 5.1306 8.8626 121.1674 52.9310 44.9453 175.6678 60 K 4.8104 9.3573 125.7687 55.1131 33.9210 174.8264 61 I 4.9419 8.8999 129.1540 59.6270 39.6748 174.4573 62 E 5.2532 9.4239 126.9173 54.4733 32.4975 175.1654 63 I 4.8861 8.6897 117.0353 59.1926 41.7086 174.2377 64 V 4.7758 8.4631 123.6518 61.5137 33.4266 174.7368 65 V 4.6445 8.4023 120.4747 59.1366 35.9029 175.3793 66 D 4.7691 8.5009 121.1698 54.0511 41.4982 177.4615 67 E 3.9592 9.0695 121.2310 59.8074 29.6928 180.1640 68 G 3.6835 8.1781 106.3346 48.1632 0.0000 174.5272 69 Q 4.3571 7.8726 116.7804 56.0558 28.9701 177.6308 70 V 3.5438 7.3215 120.2493 66.6766 31.6444 177.3338 71 D 4.3498 8.1010 117.8510 57.5874 40.6792 178.5647 72 M 3.9691 7.9167 117.9906 58.6111 32.4238 178.1948 73 V 3.5578 8.1074 118.7883 65.9873 31.7139 177.9645 74 V 3.5469 7.9360 118.0037 66.3014 31.3708 177.6942 75 D 4.4744 8.1676 120.8353 57.9328 40.5875 179.6794 76 K 4.0507 8.2363 124.2409 59.6512 31.6568 181.3463 77 L 4.1538 8.4776 120.6778 57.5678 41.5620 179.8111 78 V 3.5390 8.2246 118.5256 66.0848 31.2744 178.1947 79 S 4.1012 7.8487 113.2662 61.6633 62.7795 176.3726 80 A 4.1150 7.9752 121.9120 54.9721 18.2777 179.0959 81 A 4.0933 8.1709 117.7725 52.9205 19.1856 178.0571 82 R 4.2229 7.4987 118.3610 56.5250 30.7979 176.0913 83 T 4.4282 9.1234 113.3146 62.7127 70.7923 174.6102 84 G 4.0470 8.6351 108.7538 45.4897 0.0000 173.6594 85 E 4.4527 7.6696 118.4734 54.6693 30.8733 176.0215 86 I 3.7447 7.9917 121.7117 62.6312 36.3442 176.4088 87 G 4.2397 9.0555 113.9534 45.8389 0.0000 175.1722 88 D 4.1841 8.0222 120.3693 55.3860 41.1321 176.7047 89 G 4.2551 8.3020 104.4306 45.4188 0.0000 172.2473 90 K 4.5394 7.8872 115.1385 54.8504 36.9658 175.3969 91 I 4.6019 7.9273 122.3790 59.5611 39.5212 174.9146 92 F 5.1141 9.0836 126.1825 55.8374 41.3698 174.6553 93 I 5.1191 8.5827 124.2255 59.6183 39.0382 175.0814 94 S 4.9258 9.0080 121.1396 55.5561 66.8623 171.6456 95 P 4.7325 0.0000 0.0000 62.9364 32.1363 175.7355 96 V 4.3437 8.0002 121.8806 61.6463 33.9217 175.0636 97 D 4.5094 8.9923 127.9329 57.1834 41.1548 176.1292 98 S 5.2150 7.5767 111.1690 57.0112 67.6630 173.5243 99 V 4.4591 8.8791 120.9031 61.1727 34.6402 174.2290 100 V 4.8099 8.4147 126.9502 61.0382 34.0247 174.5049 101 R 4.2256 9.1383 129.3553 55.4898 30.3426 176.7997 102 I 3.6687 8.6884 128.2475 64.6144 37.4599 177.3397 103 R 4.0349 8.2231 118.7806 59.0842 29.7358 176.9096 104 T 4.2887 7.9332 104.4997 60.8686 70.1627 175.3906 105 G 3.8877 8.5824 110.2228 45.1998 0.0000 173.1717 106 E 4.0447 7.9922 120.3197 56.3021 30.4121 175.7279 107 K 4.9227 8.7030 126.3888 54.8092 34.1487 174.6599 108 D 4.9530 9.3455 128.3715 53.0064 42.9075 175.5048 109 T 5.0111 8.5655 120.1162 61.6696 71.1922 173.2974 110 E 4.8004 8.7830 125.2940 54.4809 31.7652 175.5597 111 A 4.7645 8.4938 126.3566 49.9799 22.5116 175.5944 112 I 3.9694 8.2817 112.3171 61.1744 37.9187 175.9717 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 M 8.16 4.82 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.59 0.00 2 K 8.89 4.67 0.00 1.62 1.64 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.61 7.81 3 K 9.63 4.70 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 4 V 9.23 4.75 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 0.88 0.00 0.00 0.94 0.00 0.00 5 E 9.43 5.03 0.00 2.14 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 2.33 2.31 0.00 6 A 8.91 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.49 4.80 1.78 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 1.23 1.19 0.92 0.00 0.00 8 I 8.42 4.75 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.83 0.00 0.00 9 R 8.04 4.09 0.00 0.97 0.88 0.00 2.88 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 10 P 0.00 4.16 0.00 2.20 2.13 0.00 3.45 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 11 F 7.59 4.57 0.00 3.06 3.17 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 12 K 7.75 4.60 0.00 1.77 1.79 0.00 1.95 0.00 0.00 2.03 0.00 0.00 3.13 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.11 1.40 7.81 13 L 7.56 3.91 0.00 1.76 1.68 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.10 4.35 0.00 3.00 2.93 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 15 E 8.16 3.96 0.00 2.20 2.28 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 2.61 2.55 0.00 16 V 7.73 3.62 2.27 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 1.04 0.00 0.00 0.94 0.00 0.00 17 K 8.43 3.90 0.00 1.95 1.98 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 18 I 8.07 3.67 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.82 0.91 0.00 0.00 19 A 8.04 3.99 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 20 L 8.16 3.97 0.00 2.01 1.72 0.97 0.70 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 21 V 8.01 3.58 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 1.03 0.00 0.00 0.98 0.00 0.00 22 N 8.33 4.40 0.00 2.81 2.87 0.00 0.00 7.04 7.96 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 23 A 7.48 4.30 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 24 G 8.18 3.89 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 0.00 0.00 0.00 25 I 7.59 3.96 2.02 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 0.47 0.91 0.00 0.00 26 V 8.55 4.05 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 0.81 0.00 0.00 0.93 0.00 0.00 27 G 10.41 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 28 M 8.04 4.96 0.00 1.98 2.00 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 2.47 2.57 0.00 29 T 8.89 4.71 4.33 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 1.24 0.00 0.00 30 V 8.39 5.11 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 0.83 0.00 0.00 0.93 0.00 0.00 31 S 8.95 4.78 0.00 3.88 3.88 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 0.00 0.00 0.00 32 E 8.69 4.82 0.00 1.88 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 0.00 2.29 2.34 0.00 33 V 8.78 4.62 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 0.79 0.00 0.00 0.96 0.00 0.00 34 R 8.65 4.84 0.00 1.68 1.59 0.00 2.21 0.00 0.00 2.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.42 0.00 35 G 8.92 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 36 F 9.00 4.59 0.00 3.02 3.07 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 *55 F 8.27 4.06 0.00 2.35 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 0.00 0.00 0.00 56 L 7.87 4.71 0.00 1.62 1.48 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.97 4.51 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 58 K 9.33 4.84 0.00 1.60 1.63 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 59 L 8.86 5.13 0.00 1.52 1.49 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.36 4.81 0.00 1.81 1.69 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 61 I 8.90 4.94 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.90 0.00 0.00 62 E 9.42 5.25 0.00 1.84 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 2.23 2.35 0.00 63 I 8.69 4.89 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 1.26 0.91 0.91 0.00 0.00 64 V 8.46 4.78 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 0.90 0.00 0.00 0.94 0.00 0.00 65 V 8.40 4.64 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 0.70 0.00 0.00 0.93 0.00 0.00 66 D 8.50 4.77 0.00 2.78 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 67 E 9.07 3.96 0.00 1.99 2.03 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 2.41 2.28 0.00 68 G 8.18 3.68 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 0.00 0.00 0.00 69 Q 7.87 4.36 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 70 V 7.32 3.54 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 1.10 0.00 0.00 1.02 0.00 0.00 71 D 8.10 4.35 0.00 2.72 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 72 M 7.92 3.97 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 73 V 8.11 3.56 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 0.76 0.00 0.00 0.98 0.00 0.00 74 V 7.94 3.55 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 0.90 0.00 0.00 0.95 0.00 0.00 75 D 8.17 4.47 0.00 2.91 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 76 K 8.24 4.05 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 77 L 8.48 4.15 0.00 1.88 1.71 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.22 3.54 2.19 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 1.01 0.00 0.00 0.92 0.00 0.00 79 S 7.85 4.10 0.00 4.04 3.91 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 80 A 7.98 4.12 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 81 A 8.17 4.09 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 82 R 7.50 4.22 0.00 2.01 1.82 0.00 3.20 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 83 T 9.12 4.43 4.33 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 1.38 0.00 0.00 84 G 8.64 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 0.00 0.00 0.00 85 E 7.67 4.45 0.00 2.01 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 0.00 2.32 2.32 0.00 86 I 7.99 3.74 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.92 0.00 0.00 87 G 9.06 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 88 D 8.02 4.18 0.00 2.63 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 89 G 8.30 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 0.00 0.00 0.00 0.00 90 K 7.89 4.54 0.00 1.06 1.23 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 91 I 7.93 4.60 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.86 0.00 0.00 92 F 9.08 5.11 0.00 2.94 2.84 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 0.00 0.00 0.00 93 I 8.58 5.12 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.93 0.00 0.00 94 S 9.01 4.93 0.00 3.84 3.91 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 95 P 0.00 4.73 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.00 4.34 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 0.80 0.00 0.00 0.97 0.00 0.00 97 D 8.99 4.51 0.00 2.75 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 98 S 7.58 5.21 0.00 3.69 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 99 V 8.88 4.46 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 0.75 0.00 0.00 0.93 0.00 0.00 100 V 8.41 4.81 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 0.93 0.00 0.00 101 R 9.14 4.23 0.00 1.88 1.80 0.00 3.16 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 102 I 8.69 3.67 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 0.65 0.91 0.00 0.00 103 R 8.22 4.03 0.00 1.76 1.98 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.93 4.29 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 0.00 105 G 8.58 3.89 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 0.00 0.00 0.00 106 E 7.99 4.04 0.00 1.96 1.91 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 2.33 2.26 0.00 107 K 8.70 4.92 0.00 1.74 1.69 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.43 7.81 108 D 9.35 4.95 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 5.01 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 1.26 0.00 0.00 110 E 8.78 4.80 0.00 1.85 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 2.23 2.22 0.00 111 A 8.49 4.76 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 0.00 112 I 8.28 3.97 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 1.27 0.64 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.