NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4130 8.0176 110.9537 61.3562 70.1826 174.3747 3 V 3.8477 8.0919 121.3128 63.6289 31.4156 176.9879 4 G 3.5973 8.9016 108.1048 47.8814 0.0000 176.9577 5 T 3.8611 8.2208 118.4232 66.6194 68.5428 176.0253 6 Y 3.9803 8.0265 120.7608 60.7470 38.6732 177.7560 7 A 3.9976 8.1905 120.6468 55.2688 18.4573 178.8244 8 E 3.9651 7.6901 116.3621 58.7870 30.1204 178.0770 9 L 3.7907 7.6230 116.9809 55.1010 41.7015 178.4865 10 A 3.4001 7.1824 122.2816 55.1604 18.1810 179.8854 11 S 3.9855 7.6725 112.0195 61.2617 63.1421 176.6793 12 V 3.4586 7.4054 121.3372 65.7819 31.1472 177.6844 13 F 4.4960 7.9052 116.2755 60.7796 39.2183 177.1145 14 A 4.2048 8.3711 120.1769 55.3136 17.9523 179.5694 15 A 3.9577 7.8970 118.0940 54.9500 18.5286 178.9540 16 L 4.0446 7.8740 114.8454 55.0530 41.9490 177.4525 17 S 4.6662 7.5701 113.0121 58.2978 63.4875 173.8724 18 D 4.8292 7.7472 120.3851 52.1133 44.2467 175.5302 19 E 4.2289 8.9510 127.2202 59.6823 29.8055 178.8364 20 T 3.9047 7.9985 115.5422 66.6856 68.4740 176.6360 21 R 3.7967 8.4859 120.1607 58.8232 29.8830 179.1510 22 W 4.0728 7.9542 118.5582 59.7303 29.1095 178.3187 23 E 4.0463 8.5041 118.5667 59.5123 28.9294 179.5691 24 I 3.7140 7.8886 119.7515 64.3489 37.1048 178.4815 25 L 3.9749 8.1141 120.0596 58.0585 41.4022 179.6888 26 T 3.9377 8.3339 115.9373 66.7295 68.5276 176.4720 27 E 4.0973 8.1288 120.2131 59.5153 29.5688 179.2892 28 L 4.6035 7.6129 119.4663 56.1352 41.5600 179.1861 29 G 3.7670 8.2441 105.1415 46.7238 0.0000 175.3818 30 R 4.3196 7.3927 117.5399 56.9728 30.9392 176.7015 31 A 4.6035 7.5178 119.6761 50.4901 22.5587 174.9845 32 D 5.2014 8.5667 122.5204 54.3696 41.5389 176.0110 33 Q 4.7772 8.5793 120.8793 54.0391 33.7714 174.8004 34 S 5.0643 8.9489 116.3622 57.1988 64.6912 174.8624 35 A 4.0495 8.9912 121.9008 55.5136 17.9661 180.1887 36 S 4.0878 8.0496 113.2058 61.6271 63.0973 176.4039 37 S 4.1039 8.1864 115.8425 61.5604 62.0501 176.1620 38 L 3.9909 7.9931 121.2079 57.9976 41.1754 179.5673 39 A 4.0295 7.9450 119.2741 55.3159 18.3252 179.5451 40 T 3.9787 7.8514 113.8737 66.3044 68.5336 176.2825 41 R 4.2054 7.6248 119.1026 56.5368 30.8583 176.2835 42 L 4.8021 7.5788 117.6097 52.1068 44.8683 175.3045 43 P 4.6377 0.0000 0.0000 62.0879 30.1448 176.2860 44 V 4.4517 7.0781 117.1526 60.6897 35.2412 175.5679 45 S 4.3880 8.4186 121.2165 58.2559 64.9811 175.6090 46 R 3.9778 8.4647 121.9780 59.3250 29.8216 179.1330 47 Q 3.8897 8.0376 118.7381 59.1538 29.0825 178.0618 48 A 3.9023 8.1226 121.8027 55.1948 18.3433 179.6137 49 I 3.6177 8.2214 118.5349 64.3709 37.1088 178.4406 50 A 3.8890 8.1743 121.7448 55.1438 18.2443 179.8531 51 K 3.8505 7.9403 116.8801 59.8684 32.0258 179.3287 52 H 4.1909 8.2491 116.5739 58.8914 28.5862 177.7523 53 L 3.7836 8.1080 121.0690 57.7981 41.3862 179.3016 54 N 4.2528 8.2578 116.1193 56.2784 38.1133 177.1348 55 A 3.9675 7.9825 121.9378 55.3935 18.5073 179.7830 56 L 3.9720 8.1758 117.6732 57.8918 41.7809 179.7829 57 Q 4.4015 8.7756 119.7277 58.3202 28.4183 178.5076 58 A 4.0748 8.0307 121.3344 54.2263 18.4730 178.3440 59 C 4.4935 7.6030 109.2194 57.8147 30.2379 174.6298 60 G 3.8964 7.7015 109.0235 45.8113 0.0000 174.5473 61 L 4.2535 7.9627 120.7247 56.0987 42.7767 176.8878 62 V 5.0761 7.6616 118.0050 60.8876 35.5392 173.7663 63 E 5.0021 8.9735 123.3977 54.2946 32.8514 175.3176 64 S 4.4521 8.6719 116.0823 58.2195 64.6612 173.7173 65 V 4.2242 8.5696 121.5483 61.2602 34.1423 174.3315 66 K 4.8900 8.6282 127.7624 54.6257 34.5023 176.6755 67 V 4.1230 8.3898 125.4516 62.2710 33.8811 174.5942 68 G 4.1125 8.4477 119.1785 46.4950 0.0000 174.5510 69 R 4.0895 8.6144 122.2702 57.2981 30.7118 175.8702 70 E 4.4670 7.6562 118.7548 54.7902 30.4133 174.7037 71 I 4.6633 8.2115 123.9756 59.6648 40.0358 174.9135 72 R 4.7003 8.7575 125.6421 54.4299 34.4890 174.0716 73 Y 5.1860 8.7335 116.3206 56.4602 42.4968 175.0650 74 R 4.9594 8.9287 121.0363 54.5464 33.7476 174.0993 75 A 4.7625 8.6003 128.4335 51.8080 19.3535 176.5490 76 L 4.7043 8.6064 121.8997 52.8274 43.7563 178.1634 77 G 3.6926 8.8980 109.3128 46.7383 0.0000 175.5551 78 A 4.0101 8.0825 123.2184 55.7791 18.2754 179.5040 79 E 3.9577 8.1077 115.8948 59.0768 29.4796 179.5081 80 L 4.0398 7.8288 118.9763 57.8132 41.7186 178.9623 81 N 4.3234 8.5270 116.8309 56.2363 38.5424 177.3732 82 K 3.9163 8.1911 120.9989 59.8304 32.1963 179.0025 83 T 3.9159 8.1785 115.8523 66.5582 68.3524 176.5842 84 A 4.0269 8.3180 122.9168 55.1098 18.3819 179.8044 85 R 3.8567 8.2771 116.8372 59.8228 30.1863 179.4789 86 T 3.8676 7.8367 115.2442 66.7109 68.4041 176.9010 87 L 3.9032 8.3219 121.3187 57.4960 41.5636 179.2438 88 E 3.8109 8.3338 119.5338 59.0696 29.6140 178.7348 89 R 3.8227 7.8645 118.7127 59.6172 30.1908 178.5208 90 I 3.5912 7.7379 119.6109 64.1805 37.0161 178.7058 91 G 3.2230 7.8943 106.4334 47.5815 0.0000 175.6264 92 A 4.0151 7.9970 123.3135 54.7612 18.2778 179.3722 93 E 3.9231 8.2007 117.8832 59.2526 29.6614 179.0751 94 W 4.4133 8.3011 119.0434 59.9848 29.1134 178.2352 95 D 4.4333 8.4727 118.8515 57.3660 40.1798 178.9168 96 R 3.9654 8.2317 118.6054 59.5140 30.0529 179.3358 97 R 3.9326 8.3501 117.9245 59.0829 30.0781 178.8161 98 L 3.9109 8.2880 120.1396 58.1905 42.1722 178.9212 99 A 4.0032 8.2092 120.4166 55.1218 18.3196 179.4462 100 A 3.9697 8.3165 119.5088 55.3922 18.4249 179.9419 101 I 3.6704 8.0698 118.5886 64.3537 37.1593 178.5636 102 K 3.9981 8.1835 120.5175 59.6300 31.9552 178.9558 103 Q 4.0464 8.0988 118.2548 58.7673 28.3900 178.5965 104 I 3.6879 7.6509 119.9490 64.3803 37.2441 178.0219 105 A 4.1358 8.2170 120.7955 55.2153 18.2584 179.2626 106 E 4.1753 8.0856 116.2953 58.5507 30.6585 178.6905 107 S 4.3674 7.3235 115.7709 57.0688 61.0188 174.1263 *109 E 4.1202 8.1397 123.9078 56.3900 29.7016 175.9690 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 2 T 8.02 4.41 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 1.25 0.00 0.00 3 V 8.09 3.85 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 0.95 0.00 0.00 0.96 0.00 0.00 4 G 8.90 3.60 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 0.00 0.00 0.00 5 T 8.22 3.86 4.50 0.00 0.00 0.00 0.00 0.00 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 6 Y 8.03 3.98 0.00 3.31 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 7 A 8.19 4.00 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 8 E 7.69 3.97 0.00 1.86 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 2.24 2.27 0.00 9 L 7.62 3.79 0.00 0.91 0.26 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.18 3.40 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 11 S 7.67 3.99 0.00 3.99 4.04 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 0.00 0.00 0.00 12 V 7.41 3.46 1.96 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 1.13 0.00 0.00 0.81 0.00 0.00 13 F 7.91 4.50 0.00 3.13 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 14 A 8.37 4.20 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 15 A 7.90 3.96 1.27 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 0.00 0.00 0.00 16 L 7.87 4.04 0.00 1.79 2.02 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.57 4.67 0.00 4.08 4.21 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 0.00 0.00 0.00 0.00 18 D 7.75 4.83 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.23 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 2.44 2.44 0.00 20 T 8.00 3.90 4.35 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 1.18 0.00 0.00 21 R 8.49 3.80 0.00 1.81 1.75 0.00 3.02 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 22 W 7.95 4.07 0.00 3.58 3.24 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 23 E 8.50 4.05 0.00 2.21 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 2.39 2.71 0.00 24 I 7.89 3.71 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 0.84 0.00 0.00 25 L 8.11 3.97 0.00 1.76 1.66 0.28 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.33 3.94 4.47 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 1.26 0.00 0.00 27 E 8.13 4.10 0.00 2.18 2.02 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 2.47 2.52 0.00 28 L 7.61 4.60 0.00 1.72 1.82 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.24 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 30 R 7.39 4.32 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 31 A 7.52 4.60 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 32 D 8.57 5.20 0.00 2.58 2.62 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 0.00 0.00 0.00 0.00 33 Q 8.58 4.78 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 34 S 8.95 5.06 0.00 3.96 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 35 A 8.99 4.05 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 36 S 8.05 4.09 0.00 3.90 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 37 S 8.19 4.10 0.00 3.92 4.14 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 38 L 7.99 3.99 0.00 1.93 1.71 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.95 4.03 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 40 T 7.85 3.98 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 1.22 0.00 0.00 41 R 7.62 4.21 0.00 1.84 2.09 0.00 3.22 0.00 0.00 3.60 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 42 L 7.58 4.80 0.00 1.62 1.54 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.64 0.00 2.19 2.10 0.00 3.72 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 1.99 1.96 0.00 44 V 7.08 4.45 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 0.92 0.00 0.00 0.95 0.00 0.00 45 S 8.42 4.39 0.00 4.08 3.98 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 46 R 8.46 3.98 0.00 1.87 2.02 0.00 3.14 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 47 Q 8.04 3.89 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 48 A 8.12 3.90 1.30 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 0.00 0.00 49 I 8.22 3.62 1.97 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 1.45 0.77 0.84 0.00 0.00 50 A 8.17 3.89 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 51 K 7.94 3.85 0.00 1.88 1.75 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 52 H 8.25 4.19 0.00 3.25 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.11 3.78 0.00 1.52 1.21 0.18 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.26 4.25 0.00 2.87 2.84 0.00 0.00 6.92 6.88 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 55 A 7.98 3.97 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 56 L 8.18 3.97 0.00 1.73 1.64 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.78 4.40 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 58 A 8.03 4.07 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 59 C 7.60 4.49 0.00 3.08 2.96 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 60 G 7.70 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.96 4.25 0.00 1.53 1.60 0.73 0.38 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 62 V 7.66 5.08 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 1.21 0.00 0.00 0.89 0.00 0.00 63 E 8.97 5.00 0.00 2.04 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 2.18 2.20 0.00 64 S 8.67 4.45 0.00 3.56 3.76 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 65 V 8.57 4.22 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 0.99 0.00 0.00 0.92 0.00 0.00 66 K 8.63 4.89 0.00 1.58 1.64 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.27 7.81 67 V 8.39 4.12 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 0.94 0.00 0.00 0.90 0.00 0.00 68 G 8.45 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 69 R 8.61 4.09 0.00 1.81 1.99 0.00 3.19 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 1.63 1.64 0.00 70 E 7.66 4.47 0.00 2.09 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 2.30 2.44 0.00 71 I 8.21 4.66 1.82 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 1.13 0.61 0.00 0.00 72 R 8.76 4.70 0.00 1.59 1.77 0.00 3.04 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 73 Y 8.73 5.19 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 4.96 0.00 1.93 1.71 0.00 3.28 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 75 A 8.60 4.76 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 76 L 8.61 4.70 0.00 1.48 1.56 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.90 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 0.00 0.00 0.00 78 A 8.08 4.01 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 79 E 8.11 3.96 0.00 1.95 1.96 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 2.36 2.45 0.00 80 L 7.83 4.04 0.00 1.93 1.79 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.53 4.32 0.00 2.85 2.87 0.00 0.00 6.70 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.19 3.92 0.00 1.81 1.92 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 83 T 8.18 3.92 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 1.46 0.00 0.00 84 A 8.32 4.03 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 85 R 8.28 3.86 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 86 T 7.84 3.87 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 1.25 0.00 0.00 87 L 8.32 3.90 0.00 1.63 1.62 0.93 0.68 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 88 E 8.33 3.81 0.00 2.24 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 2.27 2.28 0.00 89 R 7.86 3.82 0.00 2.02 2.06 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 90 I 7.74 3.59 1.48 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 1.38 0.73 0.14 0.00 0.00 91 G 7.89 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 0.00 0.00 0.00 92 A 8.00 4.02 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 93 E 8.20 3.92 0.00 2.30 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 0.00 2.42 2.40 0.00 94 W 8.30 4.41 0.00 3.65 3.16 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 0.00 0.00 0.00 0.00 95 D 8.47 4.43 0.00 2.92 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 96 R 8.23 3.97 0.00 2.08 2.02 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 97 R 8.35 3.93 0.00 1.90 2.00 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 98 L 8.29 3.91 0.00 1.92 1.83 0.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.21 4.00 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 0.00 0.00 0.00 0.00 0.00 100 A 8.32 3.97 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 0.00 0.00 0.00 0.00 0.00 101 I 8.07 3.67 2.00 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 1.67 0.81 0.90 0.00 0.00 102 K 8.18 4.00 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 103 Q 8.10 4.05 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 104 I 7.65 3.69 2.01 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 1.70 0.74 0.91 0.00 0.00 105 A 8.22 4.14 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 E 8.09 4.18 0.00 2.09 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 2.34 2.62 0.00 107 S 7.32 4.37 0.00 3.93 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 *109 E 8.14 4.12 0.00 1.98 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 2.21 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.