NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5162 8.1633 118.3343 55.5748 33.5159 173.4869 2 Q 5.3118 7.9965 117.5432 53.0341 31.6124 173.5288 3 M 4.4096 7.6556 116.3481 54.2592 35.7734 171.7067 4 P 4.7743 0.0000 0.0000 62.8198 31.8976 176.3788 5 R 4.3476 8.8635 123.5166 59.0741 31.1037 176.3443 6 R 5.2804 7.7487 115.3518 54.6249 34.3578 174.5590 7 F 4.8125 8.2011 114.6584 56.3848 41.6383 172.6217 8 N 5.1286 9.2027 117.8164 53.7507 39.3270 174.3202 9 T 4.2666 8.2083 115.7320 61.3804 72.1349 171.1966 10 Y 4.2244 8.0439 125.8305 57.5792 40.1655 173.5946 11 C 4.6678 7.5552 126.2052 56.7374 32.8754 172.6460 12 P 4.2215 0.0000 0.0000 65.1146 31.2625 177.1978 13 H 4.5404 7.7956 115.7435 58.5387 29.1990 176.4006 14 C 4.1275 7.8254 114.6783 60.4370 28.2605 173.4808 15 N 4.1170 8.8198 116.4352 53.3250 37.4914 173.0227 16 E 4.9509 7.2121 111.4887 54.5200 32.8536 173.8493 17 H 4.5089 9.0448 118.8162 57.1451 29.5321 174.5378 18 Q 4.6534 8.9905 119.1089 54.6298 33.9629 173.2462 19 E 4.4539 8.7432 122.7059 57.0102 31.0580 175.3484 20 H 5.4213 9.2600 122.8368 53.8339 33.5475 171.9349 21 E 4.9975 8.8748 119.6891 54.5783 32.4236 174.5322 22 V 4.4424 8.9508 127.4519 62.0547 32.9606 174.6294 23 E 4.3765 8.4219 126.2655 54.4164 33.6743 173.9182 24 K 4.6494 8.4065 124.7231 55.5863 33.0498 176.6891 25 V 3.5734 8.0502 125.5105 63.5198 31.8675 175.7447 26 R 4.3377 8.4798 127.3522 54.9907 31.1244 176.8015 27 S 4.1846 8.6230 118.5024 58.8120 63.4326 174.2613 28 G 3.9451 8.3551 113.4579 44.3357 0.0000 173.5183 29 R 4.0793 8.2525 122.9023 55.8070 30.8509 176.3389 30 Q 4.3736 8.4145 123.2282 55.9090 29.6337 175.8620 31 T 4.3204 8.3357 108.1188 60.7313 70.1750 174.9920 32 G 3.9755 8.2631 109.3420 47.0738 0.0000 173.6506 33 M 4.7395 7.8277 115.3651 53.9365 33.5805 176.6318 34 K 4.4264 8.2308 119.8031 55.0561 34.4339 177.5954 35 W 4.2042 8.7896 129.8508 60.8845 30.5306 177.5824 36 I 3.1847 8.1169 117.8719 64.2814 37.3561 177.1611 37 D 4.2536 8.0354 118.9323 57.6249 40.6763 179.0478 38 R 3.8100 7.6061 118.1143 59.0740 30.0269 178.8953 39 Q 3.8000 7.5360 119.6229 58.5395 28.6986 178.2817 40 R 2.5100 7.4438 119.8679 58.8659 29.8659 178.1073 41 E 3.7888 7.4073 116.8655 59.5360 29.4956 179.5788 42 R 4.0045 7.8949 117.0658 59.2262 30.3155 178.0666 43 N 4.9681 8.1214 113.2428 52.4893 38.7488 175.2413 44 S 4.8775 7.4343 118.3564 57.0900 64.7109 173.6260 45 G 3.8743 8.8225 114.2482 45.5153 0.0000 174.4137 46 I 4.4042 9.0792 118.6614 60.3899 40.3738 176.7413 47 G 3.8914 8.6197 110.8452 45.4315 0.0000 172.7434 48 N 4.6405 8.5319 121.2801 53.7369 39.8902 174.6003 49 D 5.0563 9.0506 122.2517 54.2608 42.9687 177.7246 50 G 3.7629 8.1341 110.5600 45.9958 0.0000 176.9056 51 K 3.3187 8.5642 119.1949 60.0623 32.0737 178.1971 52 F 4.6751 7.6791 115.1536 58.4015 38.8771 175.9047 53 S 4.6700 8.6526 117.0460 58.1058 63.3566 174.4334 54 K 4.3964 7.4696 120.6847 55.8743 32.7225 176.6452 55 V 4.3794 7.8212 112.3435 60.1034 35.1871 174.2526 56 P 3.7789 0.0000 0.0000 60.5833 30.4613 176.1608 57 G 3.9546 8.3606 111.8906 44.4987 0.0000 172.1427 58 G 3.9917 8.1851 108.3199 44.9458 0.0000 172.5247 59 D 4.8660 8.1656 117.6347 52.1507 44.8583 175.2271 60 K 4.2652 8.4032 122.6290 55.0569 33.1018 175.0155 61 P 4.4120 0.0000 0.0000 65.7141 31.0996 176.7357 62 T 4.6574 7.4939 112.3768 61.4060 72.5083 173.0074 63 K 4.6358 8.2014 123.1808 54.7490 35.0548 176.0246 64 K 4.5130 8.3414 121.2513 55.8888 33.4952 177.0605 65 T 3.5879 7.9793 118.9937 63.8658 69.6250 173.3146 66 D 5.0418 8.6198 125.0268 52.4067 43.0131 174.0721 67 L 5.3851 8.3730 123.5924 52.5724 46.5756 175.7888 68 K 4.5653 8.7846 119.3057 54.9439 35.6707 175.2083 69 Y 4.3296 8.8332 123.2023 56.5918 39.5987 174.8286 70 R 4.9809 8.6334 125.0717 54.3614 32.0709 175.9583 71 C 3.8927 9.2944 126.2495 59.3462 32.3123 174.3015 72 G 3.4119 9.5563 113.8328 47.9272 0.0000 172.8335 73 E 4.5612 8.1726 118.7913 56.9034 32.8168 176.7076 74 C 4.0607 8.0795 119.2890 59.4504 30.2642 175.1965 75 G 4.0188 7.5969 106.6684 46.0263 0.0000 173.5468 76 K 4.3778 7.6495 118.1384 54.7019 33.8558 176.7732 77 A 5.0893 8.3034 121.9231 52.2804 20.3113 178.0255 *78 H 4.7243 8.2103 114.7375 54.2302 30.1035 173.1957 79 L 5.2655 8.1840 119.7949 53.2154 44.3834 175.0572 80 R 4.7855 8.2404 118.0412 54.1818 34.2823 174.9299 81 E 4.2395 8.7942 118.4514 56.8540 29.9797 176.7390 82 G 4.6657 8.7064 107.3758 43.5694 0.0000 172.6716 83 W 5.1671 8.0771 117.1247 53.9045 31.5470 174.8172 84 R 4.4103 8.9656 121.3111 57.1132 30.1291 175.9378 85 A 4.4424 8.5102 125.7771 50.0912 21.1543 175.9496 86 G 3.7455 9.0410 112.5398 48.5593 0.0000 173.4255 87 R 4.4989 7.3579 116.6789 54.5382 32.9536 173.6644 88 L 4.6950 8.2136 124.5550 53.5649 44.7823 174.9942 89 E 4.7209 8.9687 126.4657 54.4637 32.5630 175.4136 90 F 5.0324 8.8996 122.7479 57.0757 40.1546 175.6940 91 Q 4.2654 9.7069 123.8944 56.3110 29.3218 176.1935 92 E 4.1546 8.8297 122.9299 56.5772 29.0188 174.9482 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 4.52 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 2 Q 8.00 5.31 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 3 M 7.66 4.41 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 4 P 0.00 4.77 0.00 2.58 2.15 0.00 3.82 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 2.12 1.88 0.00 5 R 8.86 4.35 0.00 2.09 2.05 0.00 2.88 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 6 R 7.75 5.28 0.00 1.73 1.86 0.00 3.32 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 7 F 8.20 4.81 0.00 3.15 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 8 N 9.20 5.13 0.00 2.79 2.93 0.00 0.00 6.72 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 9 T 8.21 4.27 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 10 Y 8.04 4.22 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.56 4.67 0.00 3.08 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.10 2.18 0.00 3.44 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 13 H 7.80 4.54 0.00 3.13 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.83 4.13 0.00 2.85 2.90 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 15 N 8.82 4.12 0.00 2.82 2.91 0.00 0.00 6.95 7.23 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 16 E 7.21 4.95 0.00 2.08 2.01 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 2.30 2.30 0.00 17 H 9.04 4.51 0.00 3.08 3.39 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.99 4.65 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 19 E 8.74 4.45 0.00 2.07 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 2.35 2.35 0.00 20 H 9.26 5.42 0.00 2.65 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.87 5.00 0.00 1.92 1.66 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 2.16 2.15 0.00 22 V 8.95 4.44 2.37 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 0.95 0.00 0.00 1.14 0.00 0.00 23 E 8.42 4.38 0.00 1.87 1.56 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 2.10 2.13 0.00 24 K 8.41 4.65 0.00 1.70 1.75 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.72 7.81 25 V 8.05 3.57 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 0.73 0.00 0.00 1.00 0.00 0.00 26 R 8.48 4.34 0.00 1.82 1.82 0.00 3.25 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 27 S 8.62 4.18 0.00 3.85 3.81 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 28 G 8.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.25 4.08 0.00 1.78 1.83 0.00 3.23 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 30 Q 8.41 4.37 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 31 T 8.34 4.32 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 1.22 0.00 0.00 32 G 8.26 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 0.00 0.00 0.00 33 M 7.83 4.74 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.46 0.00 34 K 8.23 4.43 0.00 2.12 1.83 0.00 1.60 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 35 W 8.79 4.20 0.00 3.42 3.31 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 36 I 8.12 3.18 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.14 0.96 0.00 0.00 37 D 8.04 4.25 0.00 2.83 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 38 R 7.61 3.81 0.00 1.71 1.86 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 39 Q 7.54 3.80 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 40 R 7.44 2.51 0.00 1.03 1.61 0.00 2.95 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.00 41 E 7.41 3.79 0.00 2.02 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 2.23 2.33 0.00 42 R 7.89 4.00 0.00 1.81 1.91 0.00 3.15 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 43 N 8.12 4.97 0.00 2.86 2.94 0.00 0.00 7.09 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.43 4.88 0.00 3.72 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 45 G 8.82 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 46 I 9.08 4.40 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 1.34 0.68 0.91 0.00 0.00 47 G 8.62 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 48 N 8.53 4.64 0.00 2.69 2.74 0.00 0.00 6.60 8.47 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 49 D 9.05 5.06 0.00 2.79 2.77 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 50 G 8.13 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 0.00 0.00 0.00 51 K 8.56 3.32 0.00 1.63 1.88 0.00 1.19 0.00 0.00 1.12 0.00 0.00 2.52 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.75 0.21 7.81 52 F 7.68 4.68 0.00 3.22 3.04 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 53 S 8.65 4.67 0.00 3.98 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 54 K 7.47 4.40 0.00 1.70 1.74 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.42 7.81 55 V 7.82 4.38 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 0.93 0.00 0.00 56 P 0.00 3.78 0.00 2.08 2.08 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 57 G 8.36 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.19 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 59 D 8.17 4.87 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.27 0.00 1.69 1.82 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 61 P 0.00 4.41 0.00 2.21 2.19 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 62 T 7.49 4.66 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 1.20 0.00 0.00 63 K 8.20 4.64 0.00 1.60 1.66 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.36 7.81 64 K 8.34 4.51 0.00 1.61 1.69 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.46 7.81 65 T 7.98 3.59 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 0.64 0.00 0.00 66 D 8.62 5.04 0.00 2.63 2.48 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 67 L 8.37 5.39 0.00 1.30 1.29 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.78 4.57 0.00 1.56 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.35 7.81 69 Y 8.83 4.33 0.00 2.75 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 70 R 8.63 4.98 0.00 1.86 1.82 0.00 3.09 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 71 C 9.29 3.89 0.00 2.85 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 72 G 9.56 3.41 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 0.00 73 E 8.17 4.56 0.00 1.92 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 2.22 2.22 0.00 74 C 8.08 4.06 0.00 3.09 3.03 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 75 G 7.60 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.65 4.38 0.00 1.78 1.62 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.36 7.81 77 A 8.30 5.09 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 *78 H 8.21 4.72 0.00 2.83 2.98 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.18 5.27 0.00 1.68 1.69 0.97 1.01 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 80 R 8.24 4.79 0.00 1.87 1.83 0.00 2.29 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 81 E 8.79 4.24 0.00 2.06 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 0.00 2.37 2.36 0.00 82 G 8.71 4.67 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 0.00 83 W 8.08 5.17 0.00 3.38 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 84 R 8.97 4.41 0.00 1.78 1.97 0.00 3.18 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 85 A 8.51 4.44 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 86 G 9.04 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 4.50 0.00 1.71 1.72 0.00 3.37 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 88 L 8.21 4.69 0.00 1.39 1.29 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.97 4.72 0.00 2.01 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 2.23 2.22 0.00 90 F 8.90 5.03 0.00 2.95 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 91 Q 9.71 4.27 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 5.62 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 92 E 8.83 4.15 0.00 2.19 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 0.00 2.21 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.