NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7395 8.2048 120.4220 55.5371 33.8057 173.9847 2 K 4.6816 8.9051 120.9076 53.5313 36.8357 173.5941 3 L 5.0927 9.8609 125.9462 53.5494 44.9489 174.8044 4 I 4.7802 8.9396 128.3431 60.2025 39.1790 175.0190 5 V 4.9306 9.2802 127.0163 61.2330 34.0494 173.8191 6 A 5.2517 9.0964 130.3403 50.1387 22.1570 174.7248 7 I 4.9179 8.7420 122.8820 59.7921 39.6448 175.3529 8 V 4.7969 8.6728 119.8903 58.9376 36.2759 175.6935 9 R 4.2834 8.3919 120.6803 55.5965 30.9269 176.4561 10 P 4.2791 0.0000 0.0000 65.6690 31.4738 178.1387 11 E 4.2091 8.1617 113.5114 57.6847 29.8789 177.6694 12 K 4.4385 7.9431 118.7845 56.0441 32.9847 177.4500 13 L 3.9455 7.6537 122.0251 58.4339 41.9906 178.4408 14 N 4.2994 8.1701 115.6477 56.4256 38.4891 176.7917 15 E 3.9201 8.1204 120.0425 59.1754 29.7017 178.8764 16 V 3.5846 7.9095 118.2156 66.1030 31.6732 177.9849 17 L 4.0170 8.4673 119.0397 57.7857 41.4333 179.7838 18 K 4.0229 8.3202 118.2968 59.3975 31.9902 179.3420 19 A 4.0814 8.2623 121.1673 55.0129 18.2000 179.6968 20 L 3.9474 8.3014 117.9022 57.8786 41.6977 179.4500 21 F 4.1734 8.3440 120.5798 61.5554 39.1503 177.2760 22 Q 4.1247 8.3406 116.0236 58.1599 28.4769 177.4018 23 A 4.4029 7.5237 120.1635 51.2956 18.8564 176.8146 24 E 3.4269 7.5671 116.5257 57.9153 27.3919 174.1952 25 V 4.2146 7.8851 119.0395 61.4465 32.7927 174.9355 26 R 4.4234 8.5994 124.7504 57.5271 32.3248 176.5872 27 G 3.7734 8.0165 106.9653 45.2646 0.0000 172.3601 28 L 4.7072 7.9253 123.5146 55.3317 43.3507 174.3757 29 T 4.9038 8.7703 116.3014 61.8225 72.4180 173.1293 30 L 5.4503 8.4309 124.3346 54.6864 44.1215 175.0262 31 S 4.6787 8.7265 113.0288 57.5609 66.7675 173.3239 32 R 4.7451 8.4443 119.6490 55.7906 31.2740 176.1706 33 V 4.6192 8.6012 114.8695 60.3914 36.9834 173.5091 34 Q 5.0921 8.6827 119.7694 54.4841 31.6453 175.4804 35 G 4.3735 9.2928 108.6790 45.1745 0.0000 170.6649 36 H 5.3122 8.8932 119.0655 54.1888 32.7500 173.2950 37 G 3.9183 8.4001 110.6138 45.9145 0.0000 173.2489 *53 M 4.4228 8.0601 118.9753 54.8274 33.7705 174.7700 54 E 4.5305 8.1016 114.9572 54.7078 31.2057 174.8675 55 L 4.9439 8.2904 123.1391 53.5906 43.7572 175.4773 56 H 5.0118 9.2277 119.5553 53.6340 32.1634 173.3864 57 E 4.5872 8.8101 121.6771 56.8478 30.2442 176.1937 58 K 4.7580 9.1690 122.0782 55.1351 37.8226 174.9001 59 V 4.8203 8.7908 120.5198 61.2336 34.7101 173.9315 60 R 5.0386 9.0637 128.4060 54.7227 32.1168 174.4020 61 L 5.2177 9.0478 126.8094 52.9515 44.7864 175.0505 62 E 5.0401 9.4100 124.2173 54.5366 32.6397 174.5166 63 I 4.8490 9.1182 128.1990 59.4225 40.8848 174.8210 64 G 4.2426 8.8143 115.1313 45.5748 0.0000 172.9689 65 V 4.7139 8.6888 124.5906 61.1441 35.7082 174.4653 66 S 4.4711 9.2042 123.1903 59.1453 63.3869 175.5785 67 E 3.6899 8.6153 124.3190 59.0560 29.7000 177.7812 68 P 3.9559 0.0000 0.0000 64.9452 31.4009 177.2353 69 F 4.9413 8.2349 114.9076 57.2506 39.6353 177.6019 70 V 3.5941 8.0112 122.7363 66.0379 31.2105 177.9953 71 K 3.8867 8.0838 117.6755 59.3769 31.9883 177.3150 72 P 4.4553 0.0000 0.0000 65.8401 31.2967 178.9297 73 T 3.8937 7.8255 114.4524 66.5647 68.3288 176.9201 74 V 3.5851 8.0847 120.4523 66.1569 31.5837 177.8248 75 E 3.9426 8.6078 118.4380 59.3585 29.3391 179.2456 76 A 4.0215 8.1066 120.7383 55.2040 18.3734 179.8298 77 I 3.6674 7.7266 118.1563 64.4300 37.3516 178.5105 78 L 3.9675 8.1788 120.1654 57.9204 41.2647 179.9016 79 K 4.0459 7.9312 116.6492 59.4720 32.0914 179.0833 80 A 4.2901 7.8594 119.5006 54.4290 18.4791 178.6835 81 A 4.2626 8.1232 117.4277 52.0030 19.6121 177.6442 82 R 4.3328 7.0058 117.4601 56.1144 30.7723 176.1339 83 T 4.4249 9.5641 112.9487 60.6185 70.4406 175.2488 84 G 3.9405 8.8656 109.3464 44.9800 0.0000 172.7947 85 E 4.5982 7.8263 119.2791 54.0138 31.5377 175.6815 86 V 3.5432 8.0765 121.2880 64.0812 30.7041 175.8429 87 G 4.0035 9.0908 112.9744 45.5963 0.0000 175.3037 88 D 4.3963 7.5825 118.7578 55.7529 41.0522 176.4497 89 G 4.3159 8.0598 103.2184 45.1984 0.0000 171.9280 90 K 4.6120 8.1343 115.6117 54.8013 37.1833 175.5546 91 I 4.8090 7.8088 121.1966 59.7014 40.0683 175.0271 92 F 4.8461 9.4921 126.2823 55.6298 41.6612 174.9999 93 V 4.7961 8.5611 122.6248 61.3978 33.2106 174.4238 94 L 4.9611 8.9749 129.0078 52.2624 44.2307 174.7306 95 P 4.7509 0.0000 0.0000 62.7431 32.6384 175.5390 96 V 4.3319 8.0218 120.3378 61.3481 33.4340 174.9317 97 E 4.1097 9.1587 129.0826 58.7531 29.9050 176.6297 98 K 4.6022 7.5519 114.6790 54.7698 36.2393 175.4255 99 V 4.5567 7.9296 119.7961 61.4106 34.9066 173.8435 100 Y 5.0868 8.6733 123.7245 56.1804 41.7435 174.8428 101 R 4.3804 8.8209 124.0527 55.0887 30.7371 177.2897 102 I 3.9405 8.6165 128.3494 64.3036 37.5744 177.5370 103 R 4.0571 8.2050 119.9038 58.7224 29.9451 176.8886 104 T 4.3935 8.0137 104.6632 60.7075 70.4471 175.1209 105 G 4.0343 8.7833 110.8322 44.9778 0.0000 173.7294 106 E 4.0672 7.7486 118.9106 56.0696 30.1105 175.8589 107 E 3.7921 8.6723 123.0741 56.4357 30.2720 175.8578 108 D 4.6493 10.3586 124.9434 54.7810 42.7636 172.9973 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 8.20 4.74 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 2 K 8.91 4.68 0.00 1.68 1.65 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.60 7.81 3 L 9.86 5.09 0.00 1.70 1.53 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.94 4.78 2.00 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 1.15 0.46 0.95 0.00 0.00 5 V 9.28 4.93 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 1.06 0.00 0.00 0.97 0.00 0.00 6 A 9.10 5.25 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 7 I 8.74 4.92 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.96 0.00 0.00 8 V 8.67 4.80 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 0.75 0.00 0.00 1.00 0.00 0.00 9 R 8.39 4.28 0.00 1.87 2.05 0.00 3.13 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 10 P 0.00 4.28 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 11 E 8.16 4.21 0.00 2.07 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 0.00 2.28 2.27 0.00 12 K 7.94 4.44 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.36 1.55 7.81 13 L 7.65 3.95 0.00 1.79 1.75 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.17 4.30 0.00 2.80 2.85 0.00 0.00 6.68 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 15 E 8.12 3.92 0.00 2.03 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 0.00 2.38 2.37 0.00 16 V 7.91 3.58 2.26 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 1.08 0.00 0.00 1.02 0.00 0.00 17 L 8.47 4.02 0.00 1.82 1.72 0.93 0.81 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 18 K 8.32 4.02 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.63 7.81 19 A 8.26 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.95 0.00 1.91 1.77 0.95 1.26 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 21 F 8.34 4.17 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.34 4.12 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 23 A 7.52 4.40 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 24 E 7.57 3.43 0.00 1.95 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 2.09 2.21 0.00 25 V 7.89 4.21 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 0.78 0.00 0.00 0.91 0.00 0.00 26 R 8.60 4.42 0.00 1.77 1.92 0.00 3.46 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 27 G 8.02 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 28 L 7.93 4.71 0.00 1.62 1.62 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.77 4.90 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 30 L 8.43 5.45 0.00 1.66 1.59 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.73 4.68 0.00 3.90 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 32 R 8.44 4.75 0.00 1.72 1.90 0.00 3.18 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 1.60 1.66 0.00 33 V 8.60 4.62 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 0.71 0.00 0.00 0.96 0.00 0.00 34 Q 8.68 5.09 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 35 G 9.29 4.37 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 0.00 36 H 8.89 5.31 0.00 3.12 3.18 0.00 5.87 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.40 3.92 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 0.00 *53 M 8.06 4.42 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 54 E 8.10 4.53 0.00 2.05 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 0.00 2.32 2.32 0.00 55 L 8.29 4.94 0.00 1.54 1.64 0.93 1.10 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 56 H 9.23 5.01 0.00 3.05 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.81 4.59 0.00 1.87 1.90 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 2.32 2.35 0.00 58 K 9.17 4.76 0.00 1.64 1.79 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.55 7.81 59 V 8.79 4.82 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 1.09 0.00 0.00 0.94 0.00 0.00 60 R 9.06 5.04 0.00 1.93 1.78 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 61 L 9.05 5.22 0.00 1.66 1.56 0.99 0.48 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 62 E 9.41 5.04 0.00 1.98 1.79 0.00 0.00 0.00 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 2.27 0.00 63 I 9.12 4.85 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 1.19 0.52 0.99 0.00 0.00 64 G 8.81 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 65 V 8.69 4.71 2.13 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 1.21 0.00 0.00 1.02 0.00 0.00 66 S 9.20 4.47 0.00 3.98 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 67 E 8.62 3.69 0.00 2.02 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 2.37 2.43 0.00 68 P 0.00 3.96 0.00 0.71 1.52 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 69 F 8.23 4.94 0.00 3.12 2.99 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 70 V 8.01 3.59 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 1.14 0.00 0.00 0.99 0.00 0.00 71 K 8.08 3.89 0.00 1.80 1.87 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 72 P 0.00 4.46 0.00 2.25 2.16 0.00 3.77 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 2.29 2.24 0.00 73 T 7.83 3.89 4.42 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 1.24 0.00 0.00 74 V 8.08 3.59 2.22 0.00 0.00 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 1.00 0.00 0.00 75 E 8.61 3.94 0.00 2.19 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 2.58 0.00 76 A 8.11 4.02 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 77 I 7.73 3.67 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 0.91 0.00 0.00 78 L 8.18 3.97 0.00 1.82 1.71 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.93 4.05 0.00 1.74 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 80 A 7.86 4.29 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 81 A 8.12 4.26 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 82 R 7.01 4.33 0.00 2.10 1.83 0.00 3.20 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.55 0.00 83 T 9.56 4.42 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 84 G 8.87 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 85 E 7.83 4.60 0.00 2.03 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 2.24 2.21 0.00 86 V 8.08 3.54 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 0.74 0.00 0.00 0.91 0.00 0.00 87 G 9.09 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 88 D 7.58 4.40 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.32 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 0.00 90 K 8.13 4.61 0.00 1.36 1.03 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.37 7.81 91 I 7.81 4.81 1.77 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 1.31 0.53 0.90 0.00 0.00 92 F 9.49 4.85 0.00 2.99 2.94 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 93 V 8.56 4.80 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 0.84 0.00 0.00 0.95 0.00 0.00 94 L 8.97 4.96 0.00 1.66 1.55 1.00 0.74 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 95 P 0.00 4.75 0.00 2.08 2.05 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 96 V 8.02 4.33 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 0.84 0.00 0.00 0.94 0.00 0.00 97 E 9.16 4.11 0.00 1.96 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 2.31 2.41 0.00 98 K 7.55 4.60 0.00 1.81 1.68 0.00 1.89 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.44 7.81 99 V 7.93 4.56 2.00 0.00 0.00 0.00 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 0.91 0.00 0.00 100 Y 8.67 5.09 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.82 4.38 0.00 1.92 1.85 0.00 3.11 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 102 I 8.62 3.94 1.89 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 1.32 0.69 0.92 0.00 0.00 103 R 8.21 4.06 0.00 1.78 1.98 0.00 3.20 0.00 0.00 3.29 7.31 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 8.01 4.39 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 0.00 105 G 8.78 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 0.00 106 E 7.75 4.07 0.00 2.12 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 0.00 2.32 2.27 0.00 107 E 8.67 3.79 0.00 1.82 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 2.17 2.16 0.00 108 D 10.36 4.65 0.00 2.72 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 * Residues marked with a * may have inaccurate shift predictions.