NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.1563 8.2993 119.9947 56.5753 33.9048 174.5919 12 F 4.7231 7.9054 116.3807 54.8883 39.4466 174.5679 13 R 4.0674 9.0366 124.9076 58.3616 32.0824 179.6260 14 V 3.5291 7.8175 116.7899 62.5443 29.9544 172.3085 15 R 4.4041 8.9958 111.6173 57.0542 27.1531 176.5471 16 N 4.4768 7.5383 117.2557 55.3751 39.1251 176.2434 17 R 4.2093 7.4483 115.6562 56.6293 31.5846 175.0979 18 I 3.6523 8.6468 121.4496 62.7762 35.6323 176.2480 19 K 4.1962 7.6576 119.6663 56.5434 31.3085 177.3869 20 R 4.5452 7.7941 118.0149 54.9776 30.7921 176.0672 21 T 4.8057 8.3197 120.7532 63.1332 70.0714 174.5709 22 G 4.1343 7.8769 108.2590 46.3655 0.0000 173.8383 23 R 3.1470 9.0642 115.2996 56.9832 29.3871 176.0433 24 L 3.5900 8.1367 114.9982 55.9277 38.4791 174.7110 25 R 4.4876 8.5020 123.0074 55.0088 32.6131 176.1896 26 L 5.5665 7.4368 117.5918 55.1157 41.7270 175.5040 27 S 4.4284 7.8804 116.5237 57.9492 64.1148 173.3727 28 V 4.8496 8.2914 126.6309 61.0593 34.4096 173.5547 29 F 5.3079 10.1131 130.8350 56.5554 41.6973 173.6972 30 R 4.9286 9.2175 126.5920 54.4887 32.1434 174.9224 31 S 4.7322 8.1629 119.6644 55.7157 66.1461 174.6900 32 L 4.0199 8.5110 120.8492 57.4184 41.3999 178.6916 33 K 4.5376 7.5804 114.2075 56.4570 34.7509 175.3619 34 H 5.1806 7.4831 116.0531 54.8800 31.2091 171.4263 35 I 4.4305 6.8904 115.9882 61.6857 41.0466 174.0446 36 Y 5.1104 9.4541 126.6479 56.2279 42.4038 174.3795 37 A 5.3615 8.8975 122.7413 50.5029 22.8935 175.0202 38 Q 4.9632 9.1632 121.0926 54.2383 32.6606 175.2413 39 I 4.7495 8.5879 124.7427 59.5027 37.6458 174.3161 40 I 4.5703 8.0174 127.7795 60.0522 39.4091 174.5024 41 D 4.9392 8.9225 126.3081 52.4776 42.7043 175.8869 42 D 4.6444 8.2716 126.8212 54.8508 41.1146 173.6736 43 E 3.9746 8.3264 119.7482 58.0940 27.8433 175.7811 44 K 4.0133 7.8793 120.1227 56.9777 33.3850 177.2210 45 G 3.9729 7.8805 106.9217 45.8387 0.0000 172.4707 46 V 4.4685 7.6319 116.4472 61.8494 35.4888 172.8638 47 T 5.0211 8.2432 119.7379 61.9801 70.6702 174.1447 48 L 4.6282 8.6530 124.2000 55.4380 43.9628 176.9744 49 V 4.6945 7.2927 116.8324 61.3250 35.1735 174.3707 50 S 5.5095 8.1424 116.3280 58.7837 65.5533 174.4680 51 A 4.5929 8.1182 119.3672 51.8290 21.6828 175.4183 52 S 4.8414 8.7183 114.3767 56.6042 66.5356 173.3382 53 S 3.7369 9.5638 117.4878 59.1607 62.7680 176.6132 54 L 4.0224 7.7508 117.9923 59.4043 42.3075 177.3817 55 A 4.4987 8.4209 121.9791 49.9685 16.4042 177.4438 56 L 5.6476 7.8879 133.1927 54.9352 45.6622 173.5897 57 K 3.8928 8.7617 123.1484 55.7160 30.9578 179.1089 58 L 3.5944 8.6147 118.5386 53.7670 41.9325 172.3462 59 K 3.9803 8.0183 120.3154 55.9194 32.9796 176.6149 60 G 3.9851 8.4606 106.4934 45.2571 0.0000 172.7020 61 N 5.0082 7.6527 117.4219 50.8334 42.6909 173.6125 62 K 3.9839 9.2528 121.9512 58.4639 31.3090 179.2132 63 T 3.7854 9.2818 117.9654 65.6778 69.7933 176.1273 64 E 3.9314 8.4810 122.0295 59.2135 29.9533 179.6451 65 V 3.7726 8.1355 118.8458 65.2572 31.1368 177.4582 66 A 4.0154 7.5089 119.0290 54.6570 18.3340 178.2031 67 R 4.3320 7.8589 116.0480 57.4154 30.7513 178.1201 68 Q 4.0202 7.9121 117.2182 59.5146 29.1363 179.8099 69 V 3.8071 8.4044 120.2924 64.8894 31.0665 178.4819 70 G 3.5766 8.6023 106.8259 47.5394 0.0000 175.7212 71 R 3.8608 8.0826 120.4084 59.4239 30.1322 177.6814 72 A 3.9030 9.0964 120.0327 55.1929 17.9997 178.8786 73 L 3.8732 8.2555 115.8258 58.6519 42.6572 178.9303 74 A 3.9784 9.0794 119.5908 54.5966 17.7516 179.1242 75 E 3.8647 8.7577 119.0285 59.1349 30.5005 179.8362 76 K 4.0524 8.4667 117.9539 60.1698 32.0887 178.9609 77 A 3.6399 9.2691 118.6470 55.0614 18.3174 179.6750 78 L 3.9067 8.3445 114.7846 57.2738 41.9039 179.5587 79 A 4.0170 7.7486 120.8746 55.4620 18.4466 178.8706 80 L 4.0670 8.0928 114.2963 57.8379 41.6520 177.3736 81 G 3.4749 7.2843 110.0542 44.9278 0.0000 173.5784 82 I 3.8547 7.2721 121.8351 61.7133 37.4769 173.1887 83 K 4.1026 7.4200 126.6808 57.1484 39.3284 173.9377 84 Q 4.4909 8.2002 123.4498 56.2279 30.0843 175.6361 85 V 4.7488 8.3341 118.1868 60.0967 36.7719 173.4268 86 A 4.8791 8.6950 124.4117 50.3089 20.2904 179.4600 87 F 4.8030 8.8603 125.0432 59.1561 40.9072 172.9298 88 D 4.1340 6.9336 120.7730 53.7687 44.3415 175.4958 89 R 4.2345 7.9476 130.5263 55.2207 31.5353 175.8553 90 G 3.8250 9.3252 109.8173 48.5050 0.0000 172.1870 91 P 4.6834 0.0000 0.0000 63.4256 30.6142 178.4332 92 Y 4.2819 7.9598 118.1516 61.2728 37.9991 178.4551 93 K 3.2196 6.3099 119.0102 58.9324 30.5854 177.2286 94 Y 3.6717 5.9057 114.0936 57.6826 35.2794 172.6605 95 H 4.4204 8.1409 120.1022 55.4178 33.1128 174.6053 96 G 3.2547 8.8828 111.9749 48.2724 0.0000 173.6178 97 R 3.7500 8.3265 114.4556 56.5620 28.7360 175.9260 98 V 3.4417 7.5836 120.6862 63.4571 32.1849 176.8823 99 K 4.5619 8.4653 128.3537 55.3596 31.8786 178.0971 100 A 4.3209 7.4225 120.5315 51.5547 17.5130 177.8240 101 L 4.5989 7.3043 121.3435 54.2045 43.6552 179.3221 102 A 4.6257 8.0655 125.7674 49.6400 19.2992 180.8059 103 E 3.5185 9.6554 119.5302 59.2719 29.2028 177.7288 104 G 3.8690 9.1251 114.7292 46.5026 0.0000 174.0794 105 A 4.5280 8.5724 126.7901 52.5566 17.8958 178.9154 106 R 4.5639 8.0192 119.5589 58.1124 30.1143 176.2894 107 E 3.5566 7.9702 111.7398 58.3958 27.6701 172.7360 108 G 3.9927 8.2619 121.0902 45.8259 0.0000 171.6862 *109 G 3.7078 8.2063 112.6736 45.6219 0.0000 172.3235 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 11 K 8.30 4.16 0.00 1.74 1.76 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.41 7.81 12 F 7.91 4.72 0.00 3.12 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 R 9.04 4.07 0.00 1.88 2.08 0.00 3.37 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 14 V 7.82 3.53 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 0.96 0.00 0.00 1.26 0.00 0.00 15 R 9.00 4.40 0.00 2.00 1.98 0.00 3.41 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 16 N 7.54 4.48 0.00 2.23 2.44 0.00 0.00 6.87 7.54 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 17 R 7.45 4.21 0.00 1.86 1.86 0.00 3.09 0.00 0.00 3.18 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 18 I 8.65 3.65 2.00 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 1.28 0.67 0.90 0.00 0.00 19 K 7.66 4.20 0.00 1.70 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 20 R 7.79 4.55 0.00 1.78 1.84 0.00 3.35 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 21 T 8.32 4.81 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 1.21 0.00 0.00 22 G 7.88 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 23 R 9.06 3.15 0.00 1.90 1.88 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 24 L 8.14 3.59 0.00 1.79 1.68 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.50 4.49 0.00 1.73 1.83 0.00 3.25 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 26 L 7.44 5.57 0.00 1.77 1.47 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.88 4.43 0.00 3.98 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 28 V 8.29 4.85 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 1.09 0.00 0.00 0.90 0.00 0.00 29 F 10.11 5.31 0.00 2.89 2.98 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 0.00 0.00 0.00 30 R 9.22 4.93 0.00 1.87 1.85 0.00 3.43 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 31 S 8.16 4.73 0.00 3.82 3.35 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 32 L 8.51 4.02 0.00 1.64 1.81 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.58 4.54 0.00 1.77 1.84 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.51 7.81 34 H 7.48 5.18 0.00 2.87 2.55 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 6.89 4.43 1.80 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 1.35 1.28 0.79 0.00 0.00 36 Y 9.45 5.11 0.00 2.95 2.88 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 37 A 8.90 5.36 1.28 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 0.00 0.00 0.00 38 Q 9.16 4.96 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 39 I 8.59 4.75 1.98 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 1.27 1.78 0.93 0.00 0.00 40 I 8.02 4.57 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 1.22 0.73 0.92 0.00 0.00 41 D 8.92 4.94 0.00 2.74 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 42 D 8.27 4.64 0.00 2.68 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 43 E 8.33 3.97 0.00 2.13 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 0.00 2.18 2.26 0.00 44 K 7.88 4.01 0.00 1.90 1.86 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 45 G 7.88 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 46 V 7.63 4.47 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 1.02 0.00 0.00 0.97 0.00 0.00 47 T 8.24 5.02 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 1.32 0.00 0.00 48 L 8.65 4.63 0.00 1.49 1.69 0.98 0.67 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 49 V 7.29 4.69 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 1.20 0.00 0.00 0.95 0.00 0.00 50 S 8.14 5.51 0.00 3.91 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 51 A 8.12 4.59 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 52 S 8.72 4.84 0.00 3.48 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 53 S 9.56 3.74 0.00 3.58 3.54 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 54 L 7.75 4.02 0.00 1.09 1.69 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.42 4.50 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 56 L 7.89 5.65 0.00 1.67 1.87 0.92 0.72 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 K 8.76 3.89 0.00 1.99 1.00 0.00 1.82 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.33 7.81 58 L 8.61 3.59 0.00 1.71 1.54 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.02 3.98 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 60 G 8.46 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 61 N 7.65 5.01 0.00 2.65 2.66 0.00 0.00 7.13 6.68 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 62 K 9.25 3.98 0.00 1.78 1.40 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.36 7.81 63 T 9.28 3.79 4.19 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 1.17 0.00 0.00 64 E 8.48 3.93 0.00 2.23 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 2.31 2.29 0.00 65 V 8.14 3.77 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 0.94 0.00 0.00 0.98 0.00 0.00 66 A 7.51 4.02 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 67 R 7.86 4.33 0.00 2.15 1.83 0.00 3.30 0.00 0.00 3.14 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 68 Q 7.91 4.02 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 69 V 8.40 3.81 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 0.75 0.00 0.00 0.87 0.00 0.00 70 G 8.60 3.58 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 0.00 0.00 0.00 71 R 8.08 3.86 0.00 1.98 2.18 0.00 3.15 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 72 A 9.10 3.90 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 73 L 8.26 3.87 0.00 1.79 1.94 0.99 1.24 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 74 A 9.08 3.98 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 75 E 8.76 3.86 0.00 1.95 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 2.48 2.59 0.00 76 K 8.47 4.05 0.00 2.02 1.84 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 77 A 9.27 3.64 1.40 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 0.00 0.00 78 L 8.34 3.91 0.00 1.75 1.74 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.75 4.02 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 80 L 8.09 4.07 0.00 1.77 1.75 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.28 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 0.00 0.00 0.00 0.00 82 I 7.27 3.85 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 1.44 0.87 0.93 0.00 0.00 83 K 7.42 4.10 0.00 1.73 1.54 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.35 7.81 84 Q 8.20 4.49 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 85 V 8.33 4.75 2.31 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 0.72 0.00 0.00 1.01 0.00 0.00 86 A 8.69 4.88 1.23 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 0.00 0.00 0.00 87 F 8.86 4.80 0.00 3.06 3.06 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 0.00 0.00 0.00 0.00 88 D 6.93 4.13 0.00 2.50 1.54 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 89 R 7.95 4.23 0.00 1.96 2.23 0.00 3.55 0.00 0.00 3.50 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 90 G 9.33 3.82 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 0.00 0.00 0.00 91 P 0.00 4.68 0.00 1.94 1.69 0.00 3.79 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 1.80 1.12 0.00 92 Y 7.96 4.28 0.00 3.31 3.48 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 93 K 6.31 3.22 0.00 1.83 1.86 0.00 1.62 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.42 7.81 94 Y 5.91 3.67 0.00 2.84 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 95 H 8.14 4.42 0.00 3.00 3.17 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.88 3.25 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 0.00 97 R 8.33 3.75 0.00 1.95 2.13 0.00 3.11 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 98 V 7.58 3.44 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 0.58 0.00 0.00 0.34 0.00 0.00 99 K 8.47 4.56 0.00 1.87 1.87 0.00 2.12 0.00 0.00 0.82 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.58 1.61 7.81 100 A 7.42 4.32 1.22 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 0.00 0.00 101 L 7.30 4.60 0.00 1.77 1.68 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.07 4.63 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 103 E 9.66 3.52 0.00 2.07 1.41 0.00 0.00 0.00 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 2.24 0.00 104 G 9.13 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 0.00 105 A 8.57 4.53 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 0.00 106 R 8.02 4.56 0.00 1.86 2.06 0.00 3.52 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 107 E 7.97 3.56 0.00 2.22 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 2.25 2.28 0.00 108 G 8.26 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 *109 G 8.21 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.