NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2915 8.3449 119.6806 55.7119 30.8361 175.4822 6 L 4.1907 7.5368 116.0996 51.7595 42.6617 175.3552 7 T 4.0003 8.0390 112.4424 60.8563 70.2002 171.9235 8 P 4.4596 0.0000 0.0000 62.8119 32.1771 176.8888 9 R 4.4469 9.2553 115.6342 56.4368 30.0012 178.1610 10 R 3.7766 8.0396 120.6129 59.3998 30.0011 176.2554 11 P 4.1040 0.0000 0.0000 66.0703 31.1598 177.9751 12 Y 3.9831 8.1988 116.0269 60.8823 37.8392 178.0815 13 L 4.3360 8.2558 120.0698 57.6299 41.6860 179.3140 14 L 4.3643 8.3551 120.7636 58.4282 42.0627 179.2881 15 R 4.0285 8.2607 117.8076 59.1533 29.9219 179.0028 16 A 4.0903 8.3136 120.6174 55.3666 18.4831 179.7814 17 F 4.1088 8.8815 116.6464 60.6095 38.8753 177.1713 18 Y 4.2377 8.6253 119.4275 60.9363 38.5703 178.0370 19 E 3.8613 8.5685 119.2734 59.1655 29.5877 179.0329 20 W 4.2582 8.6113 128.6439 60.6639 30.7083 177.8969 21 L 3.5933 8.6289 118.9485 57.7901 41.0917 179.5203 22 L 3.8102 7.8334 118.9179 57.8775 41.2736 179.2829 23 D 4.4343 8.1318 117.8071 56.2804 40.7320 177.2978 24 N 4.5395 7.1619 115.4763 51.7470 39.4476 174.9260 25 Q 3.3439 7.4808 117.5225 57.4641 26.8915 173.0567 26 L 4.7014 7.6480 114.9291 53.3248 45.5729 178.1101 27 T 4.4945 10.2447 118.4986 61.2938 69.5774 172.4198 28 P 4.9145 0.0000 0.0000 63.0166 32.9981 174.8921 29 H 5.3008 9.8389 121.5211 53.8188 31.8268 172.6246 30 L 4.8417 9.3861 126.3923 54.2686 43.7202 175.2362 31 V 4.6959 9.3394 127.7337 61.5186 33.2365 174.5034 32 V 4.7567 9.0688 128.2934 61.1719 34.6328 174.0942 33 D 5.1416 8.7177 127.1108 52.9410 41.4500 176.7824 34 V 3.9935 8.1562 118.5064 62.6512 31.2835 177.9737 35 T 4.0151 7.8361 118.2952 66.2086 68.5564 175.4357 36 L 4.2080 7.2133 118.9671 53.5742 42.2780 174.8782 37 P 4.4075 0.0000 0.0000 63.4539 32.0909 177.8598 38 G 3.8570 8.6256 105.8562 45.7274 0.0000 173.8725 39 V 3.7945 7.3091 120.6410 63.0230 32.0220 175.8289 40 Q 4.5352 9.6257 128.9639 54.1345 29.9541 175.0075 41 V 4.7953 7.8163 115.8736 58.4229 36.6990 173.0019 42 P 4.4056 0.0000 0.0000 62.4646 32.7606 176.6823 *44 E 4.1208 8.6601 117.3769 56.0615 30.9962 176.5123 45 Y 4.4072 7.6957 113.9383 57.7797 39.1295 176.0490 46 A 4.3905 7.8552 123.5082 51.9662 18.9112 177.0374 47 R 4.5302 8.8348 118.2077 56.0967 32.4557 175.2604 48 D 4.2862 9.3898 120.9075 55.4027 37.8765 175.0109 49 G 4.0064 8.8349 106.1633 45.3773 0.0000 173.3268 50 Q 4.8097 7.7777 116.3362 54.3997 32.6958 173.7941 51 I 4.8723 9.0537 120.2056 59.2711 41.9756 174.1793 52 V 4.8929 8.5735 127.6437 61.4237 33.1456 174.3645 53 L 4.7853 8.8286 129.1693 52.8907 43.9169 175.5733 54 N 4.3744 8.7480 123.3522 52.9140 39.5374 174.4093 55 I 4.3068 8.3354 119.6735 60.3528 38.3709 175.7969 56 A 4.2098 9.1835 126.0646 52.1768 18.8826 177.5916 57 P 4.3351 0.0000 0.0000 66.0716 31.3827 178.7986 58 R 3.9439 7.8861 115.4867 59.4370 30.2764 177.9777 59 A 4.1200 7.7421 118.7080 52.9258 18.6680 176.5943 60 V 4.4058 6.8577 114.4119 60.9204 35.4067 174.1901 61 G 4.1342 8.2229 110.5290 44.5944 0.0000 172.3884 62 N 4.0604 8.9854 117.1397 53.7942 37.5460 173.6118 63 L 4.2201 8.0754 117.0593 55.8012 42.6933 176.3035 64 E 4.3955 9.4316 125.0976 54.6364 32.5268 174.9670 65 L 4.8824 8.2418 127.2233 53.3705 39.9150 176.3369 66 A 4.3426 8.1468 125.6679 50.7848 20.3976 177.7929 67 N 4.4704 8.4381 116.0652 56.1155 39.3686 176.8935 68 D 4.6481 8.1389 117.5842 55.7765 41.1571 176.4839 69 E 5.0677 7.8686 116.6983 54.4108 34.8499 174.2200 70 V 4.6341 8.6339 122.0916 61.6449 33.1505 174.8892 71 R 5.2134 8.4174 126.8195 54.4236 34.2739 174.5470 72 F 5.0902 7.7388 115.7084 56.8206 41.8013 172.0332 73 N 5.6374 8.5730 115.4020 51.7920 40.8857 173.0880 74 A 4.7324 8.9581 120.3180 51.5463 23.5906 175.2156 75 R 4.8328 8.3286 118.4800 55.2151 31.5368 176.5055 76 F 4.6768 9.1701 122.6632 56.7748 41.7442 175.6026 77 G 4.1956 10.1108 113.3595 46.6291 0.0000 174.5750 78 G 3.9568 8.4888 106.1113 45.1416 0.0000 174.0085 79 I 4.5000 7.9469 121.8626 58.8102 39.2315 173.5949 80 P 4.6927 0.0000 0.0000 62.8751 32.0033 176.0408 81 R 4.7656 9.2980 122.4950 54.5618 34.5970 174.0760 82 Q 4.7305 8.7426 121.7199 54.3458 30.5804 174.9646 83 V 4.3560 8.8242 125.4535 61.2464 33.9203 174.8094 84 S 4.8391 8.8617 122.9380 56.9135 67.1612 173.0805 85 V 4.4192 8.6186 124.6292 60.1595 34.1819 173.3142 86 P 4.6451 0.0000 0.0000 62.3850 32.0625 177.6636 87 L 3.7330 8.3012 121.2699 57.7128 41.8206 179.5489 88 A 2.7357 7.5752 120.0832 54.7724 18.4049 177.8096 89 A 4.1757 7.7931 116.4392 52.2675 18.7438 176.7796 90 V 4.2784 7.4872 118.1942 62.1469 31.5187 175.8112 91 L 4.3714 8.8911 128.3988 57.2093 42.0504 177.0828 92 A 4.0370 7.4421 117.3162 51.1477 22.8319 174.6575 93 I 4.8674 7.4401 118.9457 59.6391 40.8172 173.9238 94 Y 5.5151 8.8227 126.2138 56.0536 42.0847 174.5918 95 A 4.7569 8.9520 123.4982 51.3357 19.7965 178.6231 96 R 3.4523 8.8458 123.9751 59.6036 30.1364 177.4945 97 E 4.0432 8.4071 116.5685 58.6264 30.3639 177.5022 98 N 4.3780 7.8920 119.5496 54.6542 38.2620 176.3313 99 G 4.0340 8.6436 103.4968 43.9377 0.0000 173.6514 100 A 4.3413 9.6959 124.8004 52.0808 19.6690 177.5339 101 G 4.4615 8.1909 107.4463 46.1661 0.0000 170.1041 102 T 3.6834 7.0800 117.9377 61.8717 71.6817 172.6549 *104 F 4.7678 8.6673 118.2833 56.9554 40.1400 174.7577 105 E 4.2280 8.7861 125.0168 55.4052 30.0286 175.1423 106 P 4.6237 0.0000 0.0000 62.8857 32.3357 175.6059 107 E 4.6666 8.4996 118.1150 54.2135 33.5250 176.3621 108 A 4.3175 9.1030 124.6863 54.6768 18.3933 179.8956 109 A 3.9555 7.7644 116.4168 55.0370 18.3735 177.2463 110 Y 4.9650 7.4685 112.8035 58.4157 38.5250 175.5445 111 D 4.5644 7.9616 125.8528 54.6225 41.0547 176.5634 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 Q 8.34 4.29 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 6 L 7.54 4.19 0.00 1.66 1.53 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.04 4.00 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 1.22 0.00 0.00 8 P 0.00 4.46 0.00 1.96 1.52 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.68 0.00 9 R 9.26 4.45 0.00 2.00 2.16 0.00 2.86 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 10 R 8.04 3.78 0.00 2.32 2.12 0.00 2.87 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.78 0.00 11 P 0.00 4.10 0.00 2.24 2.22 0.00 3.89 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 2.23 2.14 0.00 12 Y 8.20 3.98 0.00 3.25 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 13 L 8.26 4.34 0.00 2.20 2.22 1.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.36 4.36 0.00 1.52 1.83 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.26 4.03 0.00 2.11 2.03 0.00 3.14 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 16 A 8.31 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.88 4.11 0.00 3.44 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 18 Y 8.63 4.24 0.00 3.27 3.30 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 19 E 8.57 3.86 0.00 2.28 2.05 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 2.69 2.57 0.00 20 W 8.61 4.26 0.00 3.27 3.40 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 0.00 21 L 8.63 3.59 0.00 1.87 1.63 1.12 0.69 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 22 L 7.83 3.81 0.00 1.70 1.54 0.34 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.13 4.43 0.00 2.66 2.66 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 0.00 0.00 0.00 24 N 7.16 4.54 0.00 2.23 2.45 0.00 0.00 7.12 8.94 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 25 Q 7.48 3.34 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 26 L 7.65 4.70 0.00 1.47 1.60 0.71 0.56 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 27 T 10.24 4.49 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 1.27 0.00 0.00 28 P 0.00 4.91 0.00 2.36 2.27 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.81 0.00 29 H 9.84 5.30 0.00 3.32 3.33 0.00 5.80 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 30 L 9.39 4.84 0.00 1.80 1.61 1.00 1.02 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 31 V 9.34 4.70 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 1.10 0.00 0.00 32 V 9.07 4.76 2.10 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 0.91 0.00 0.00 0.96 0.00 0.00 33 D 8.72 5.14 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.99 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 0.69 0.00 0.00 0.98 0.00 0.00 35 T 7.84 4.02 4.54 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 1.21 0.00 0.00 36 L 7.21 4.21 0.00 1.65 1.58 0.90 1.06 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 37 P 0.00 4.41 0.00 2.20 2.17 0.00 3.76 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 2.05 1.95 0.00 38 G 8.63 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 39 V 7.31 3.79 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 0.72 0.00 0.00 0.94 0.00 0.00 40 Q 9.63 4.54 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.39 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 41 V 7.82 4.80 1.97 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 0.66 0.00 0.00 0.88 0.00 0.00 42 P 0.00 4.41 0.00 2.13 1.76 0.00 3.43 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.44 0.00 *44 E 8.66 4.12 0.00 1.16 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 2.05 2.27 0.00 45 Y 7.70 4.41 0.00 2.96 3.05 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 46 A 7.86 4.39 1.25 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 0.00 0.00 47 R 8.83 4.53 0.00 1.96 2.01 0.00 2.89 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 48 D 9.39 4.29 0.00 2.89 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 49 G 8.83 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.78 4.81 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 51 I 9.05 4.87 1.90 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 1.17 1.20 0.93 0.00 0.00 52 V 8.57 4.89 2.18 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 1.02 0.00 0.00 1.03 0.00 0.00 53 L 8.83 4.79 0.00 1.76 1.76 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.75 4.37 0.00 2.49 2.60 0.00 0.00 6.94 7.94 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 55 I 8.34 4.31 1.67 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 1.06 0.76 0.00 0.00 56 A 9.18 4.21 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 57 P 0.00 4.34 0.00 2.02 2.18 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 58 R 7.89 3.94 0.00 1.77 1.90 0.00 3.21 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 59 A 7.74 4.12 1.24 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 60 V 6.86 4.41 1.77 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 0.53 0.00 0.00 0.28 0.00 0.00 61 G 8.22 4.13 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 0.00 0.00 0.00 62 N 8.99 4.06 0.00 2.86 2.93 0.00 0.00 6.94 7.78 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 63 L 8.08 4.22 0.00 1.63 1.58 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.43 4.40 0.00 1.89 1.80 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 2.21 2.49 0.00 65 L 8.24 4.88 0.00 1.39 1.49 0.32 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.15 4.34 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 67 N 8.44 4.47 0.00 2.71 2.90 0.00 0.00 6.86 8.06 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 68 D 8.14 4.65 0.00 2.71 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 69 E 7.87 5.07 0.00 1.85 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 2.35 2.26 0.00 70 V 8.63 4.63 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 1.08 0.00 0.00 0.88 0.00 0.00 71 R 8.42 5.21 0.00 1.77 1.72 0.00 3.20 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 72 F 7.74 5.09 0.00 3.25 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 73 N 8.57 5.64 0.00 2.94 2.93 0.00 0.00 7.11 7.62 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 74 A 8.96 4.73 1.18 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 0.00 0.00 75 R 8.33 4.83 0.00 1.63 1.82 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 76 F 9.17 4.68 0.00 3.21 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 77 G 10.11 4.20 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 0.00 0.00 0.00 78 G 8.49 3.96 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 0.00 0.00 0.00 79 I 7.95 4.50 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.96 0.00 0.00 80 P 0.00 4.69 0.00 1.97 2.02 0.00 3.65 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 2.05 2.14 0.00 81 R 9.30 4.77 0.00 2.13 1.83 0.00 3.29 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 82 Q 8.74 4.73 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 83 V 8.82 4.36 0.67 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 0.56 0.00 0.00 0.62 0.00 0.00 84 S 8.86 4.84 0.00 3.65 3.61 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 85 V 8.62 4.42 2.05 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 1.02 0.00 0.00 0.88 0.00 0.00 86 P 0.00 4.65 0.00 2.12 1.89 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.06 0.00 87 L 8.30 3.73 0.00 1.58 1.35 0.71 0.77 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 88 A 7.58 2.74 1.11 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 89 A 7.79 4.18 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 90 V 7.49 4.28 1.94 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 0.82 0.00 0.00 0.85 0.00 0.00 91 L 8.89 4.37 0.00 1.74 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.44 4.04 0.67 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 0.00 0.00 93 I 7.44 4.87 2.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.76 0.87 0.00 0.00 94 Y 8.82 5.52 0.00 2.95 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 95 A 8.95 4.76 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 96 R 8.85 3.45 0.00 1.39 1.87 0.00 3.27 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 97 E 8.41 4.04 0.00 2.08 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 2.23 2.19 0.00 98 N 7.89 4.38 0.00 2.84 2.97 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.64 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 0.00 100 A 9.70 4.34 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 0.00 101 G 8.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.08 3.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 *104 F 8.67 4.77 0.00 3.12 3.01 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 0.00 0.00 0.00 0.00 105 E 8.79 4.23 0.00 2.02 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 2.36 2.27 0.00 106 P 0.00 4.62 0.00 2.23 2.11 0.00 3.75 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 2.02 2.02 0.00 107 E 8.50 4.67 0.00 1.75 1.64 0.00 0.00 0.00 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 2.53 0.00 108 A 9.10 4.32 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 0.00 109 A 7.76 3.96 0.92 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 0.00 0.00 0.00 0.00 0.00 110 Y 7.47 4.96 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 0.00 111 D 7.96 4.56 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.