NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4779 8.3033 120.2044 56.3029 31.6468 173.9860 3 I 4.7935 8.5256 124.7652 58.6744 39.3587 173.1962 4 K 4.5734 10.1090 131.1267 54.4252 34.3240 175.0804 5 I 4.4494 8.6001 129.6128 62.1306 36.9040 176.0729 6 T 4.5248 8.8780 117.4640 62.6041 70.9716 174.6394 7 E 4.7741 7.8417 120.1419 55.1586 33.1689 174.1556 8 V 5.0248 8.6470 126.1312 61.0713 34.4209 174.4102 9 K 4.6935 9.0469 126.9354 54.5565 35.2732 175.1600 10 E 4.4329 8.9320 124.9393 55.8247 30.1482 176.5976 11 N 4.6662 9.3219 126.0205 52.2132 37.7381 175.5557 12 K 4.1540 8.3579 124.7168 58.3273 32.8773 178.8871 13 L 4.1542 8.1530 120.2809 58.0370 42.2659 177.8781 14 I 3.9444 8.5577 118.5189 62.0717 37.4344 175.9437 15 G 3.8550 10.0797 108.0162 45.1008 0.0000 172.0596 16 R 4.5814 7.3165 113.1002 54.7272 33.6699 175.1308 17 K 4.8358 8.7919 120.1112 55.3745 34.1300 175.5943 18 E 4.8122 9.1627 125.1557 54.9215 31.5329 175.0834 19 I 4.9112 8.8373 126.8307 59.8179 40.0170 174.3494 20 Y 5.1884 9.3112 126.0506 56.5666 40.2564 175.0295 21 F 5.4056 8.3709 116.3501 56.0671 41.9841 172.6664 22 E 4.9579 9.5651 119.6784 54.7835 32.3858 174.9769 23 I 5.0409 8.6736 123.7730 59.8588 39.9570 174.0305 24 Y 5.2408 9.3465 125.5265 55.9321 39.7060 176.8718 25 H 5.0752 8.5872 119.5963 53.5191 29.1791 171.5380 26 P 4.2879 0.0000 0.0000 64.9263 31.9707 177.4907 27 G 3.9548 9.1432 108.5271 45.9229 0.0000 172.4376 28 E 4.8141 7.8686 117.7623 53.4156 33.6781 173.3781 29 P 4.6238 0.0000 0.0000 62.2525 32.2357 176.2821 30 T 3.5412 8.1380 109.5858 60.6320 69.2980 172.7650 31 P 4.3938 0.0000 0.0000 62.2660 32.1849 176.9773 32 S 4.3689 8.3951 115.8108 58.4021 64.8414 175.5338 33 R 3.9251 8.5524 121.5523 59.3940 29.7898 179.2656 34 K 3.9359 7.9535 118.8484 59.5757 32.3787 178.5539 35 D 4.3349 8.2497 119.2080 57.3208 40.7981 178.8230 36 V 3.5846 7.9743 118.8864 65.8364 31.4918 177.9795 37 K 3.9684 8.4486 119.7563 59.5770 32.1135 179.0789 38 G 3.6010 8.1618 105.9207 47.4796 0.0000 175.6527 39 K 3.9086 7.7248 121.0954 59.2585 32.3328 178.4593 40 L 3.8778 7.6060 119.4891 57.9534 42.2612 178.7933 41 V 3.6717 7.8628 118.0252 65.7680 30.9635 178.6291 42 A 3.8518 7.6497 117.3174 52.7131 17.8092 178.5949 *44 L 3.9319 7.7542 118.5574 54.7345 43.7363 176.1002 45 D 4.2822 7.3066 116.5947 55.1971 39.7364 173.1260 46 L 4.3104 7.3992 117.3529 52.6167 43.9832 176.7346 47 N 4.5103 8.5636 121.0001 52.8875 39.3542 174.3438 48 P 4.3863 0.0000 0.0000 65.6751 31.6594 178.2707 49 E 4.1341 8.3031 117.7068 58.4918 29.6290 177.3034 50 T 4.6294 7.9531 108.6657 61.4448 70.2351 173.1753 51 T 5.0439 7.8539 118.6227 62.6043 70.5024 174.0700 52 V 4.2689 8.9501 127.1845 60.8756 34.0804 174.5603 53 I 4.0301 8.0581 130.3629 61.4893 36.9160 175.9916 54 Q 4.1635 9.0545 130.1803 58.6025 29.3069 175.3174 55 Y 5.0489 7.1194 115.0104 55.7555 41.8444 173.3657 56 I 5.0579 8.5084 120.4007 59.9659 40.2869 174.9979 57 R 4.7819 9.5426 126.6975 54.1375 33.8062 175.3462 58 S 4.6341 8.5142 115.9194 58.3105 64.2198 172.3716 59 Y 4.6936 8.2211 127.4258 56.1475 39.6957 175.1723 60 F 3.5005 8.8809 121.9870 57.2963 36.6902 175.6516 61 G 4.4002 8.0369 107.0698 47.1596 0.0000 174.4149 62 S 4.7461 7.5476 115.8812 56.7008 65.5791 173.0953 63 Y 4.3026 8.6295 116.7966 58.4694 38.7739 174.8388 64 K 4.6919 7.5973 123.1062 54.7882 34.7542 175.0053 65 S 5.2440 8.9383 122.3257 56.6639 67.3589 172.8467 66 K 4.8656 8.9404 120.1130 54.6701 35.4396 175.8371 67 G 3.8116 8.5523 110.2552 44.2560 0.0000 170.9078 68 Y 5.0333 7.9573 120.4924 55.4973 42.0678 173.8573 69 A 4.9115 9.0628 127.7168 49.9032 23.1320 174.5331 70 K 4.7643 8.8418 119.5479 54.5575 35.4990 174.6064 71 Y 4.9310 8.5933 126.0800 56.0674 40.7742 173.8162 72 Y 4.2246 7.8532 124.9791 56.8369 38.6873 176.0477 73 Y 4.1656 7.6971 122.0447 59.8889 38.5144 175.6660 74 D 4.7901 7.8256 118.9321 51.7552 44.0156 175.5215 75 K 3.7689 9.0160 127.8424 59.7718 32.4205 177.3482 76 D 4.4480 8.1112 118.0511 57.4193 41.1003 178.8390 77 R 4.1875 7.7049 116.8938 56.8250 29.2632 177.9259 *79 L 4.1953 7.8935 117.8772 54.2147 43.5979 177.6529 80 Y 4.2240 7.6386 118.8345 59.8441 39.0640 176.3169 81 I 3.9833 7.7043 119.3650 62.7610 37.9175 175.9978 82 E 4.4704 7.5499 118.5625 54.1116 31.0575 174.7657 83 P 4.4788 0.0000 0.0000 62.4546 33.6279 177.2667 84 E 3.9521 8.8247 119.4827 60.0170 29.3492 179.3849 85 Y 4.1592 8.1162 117.0897 60.1125 38.0576 178.3771 86 I 3.2659 6.7168 121.1136 63.9437 37.2300 178.1989 87 L 3.9716 7.6000 119.3646 57.4288 41.3210 179.7312 88 I 4.0558 7.8484 121.3937 63.8957 36.9960 178.1613 89 R 3.9598 7.9029 118.2210 59.5184 29.8810 177.2434 90 D 4.7180 7.8975 115.6335 53.6576 40.9036 176.9016 91 G 3.9359 8.0498 107.5575 46.4980 0.0000 175.3941 92 I 3.9360 8.0466 121.7324 63.1799 37.5394 176.4917 93 I 4.5224 7.2827 120.0678 59.1600 39.6552 175.5946 94 E 4.1480 8.6629 122.0643 56.7828 29.3455 176.8268 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 E 8.30 4.48 0.00 2.14 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 0.00 2.37 2.33 0.00 3 I 8.53 4.79 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.74 0.00 0.00 4 K 10.11 4.57 0.00 2.06 1.93 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 5 I 8.60 4.45 1.92 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 1.42 0.67 1.02 0.00 0.00 6 T 8.88 4.52 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 1.29 0.00 0.00 7 E 7.84 4.77 0.00 2.03 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 2.39 2.30 0.00 8 V 8.65 5.02 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 0.93 0.00 0.00 0.97 0.00 0.00 9 K 9.05 4.69 0.00 1.83 1.73 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.49 7.81 10 E 8.93 4.43 0.00 1.91 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 2.37 2.31 0.00 11 N 9.32 4.67 0.00 2.81 2.88 0.00 0.00 6.84 6.30 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 12 K 8.36 4.15 0.00 1.82 1.88 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 13 L 8.15 4.15 0.00 1.64 1.90 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.56 3.94 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 1.06 0.00 0.00 15 G 10.08 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 16 R 7.32 4.58 0.00 1.11 1.26 0.00 2.50 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 17 K 8.79 4.84 0.00 1.75 1.75 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.57 7.81 18 E 9.16 4.81 0.00 2.03 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 2.33 2.29 0.00 19 I 8.84 4.91 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.97 0.00 0.00 20 Y 9.31 5.19 0.00 2.85 2.84 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 0.00 0.00 0.00 21 F 8.37 5.41 0.00 3.26 3.09 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 22 E 9.57 4.96 0.00 1.82 1.43 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 0.00 2.06 2.20 0.00 23 I 8.67 5.04 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.03 0.00 0.00 24 Y 9.35 5.24 0.00 2.91 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 25 H 8.59 5.08 0.00 3.56 3.49 0.00 5.27 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.29 0.00 2.14 1.94 0.00 3.99 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 2.02 1.97 0.00 27 G 9.14 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 28 E 7.87 4.81 0.00 1.98 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 2.28 2.48 0.00 29 P 0.00 4.62 0.00 2.20 2.09 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 30 T 8.14 3.54 4.16 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 1.26 0.00 0.00 31 P 0.00 4.39 0.00 2.09 2.05 0.00 3.62 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 2.06 2.09 0.00 32 S 8.40 4.37 0.00 4.06 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 33 R 8.55 3.93 0.00 1.89 2.04 0.00 3.15 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 34 K 7.95 3.94 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 35 D 8.25 4.33 0.00 2.88 2.71 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 36 V 7.97 3.58 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 1.14 0.00 0.00 1.06 0.00 0.00 37 K 8.45 3.97 0.00 1.92 1.95 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 38 G 8.16 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 39 K 7.72 3.91 0.00 1.84 1.98 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 40 L 7.61 3.88 0.00 1.50 1.62 0.36 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.86 3.67 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 1.01 0.00 0.00 0.90 0.00 0.00 42 A 7.65 3.85 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 *44 L 7.75 3.93 0.00 1.59 1.61 0.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.31 4.28 0.00 2.60 2.64 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 0.00 0.00 0.00 46 L 7.40 4.31 0.00 1.56 1.25 0.68 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.56 4.51 0.00 2.94 2.93 0.00 0.00 7.05 7.46 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 48 P 0.00 4.39 0.00 2.26 2.30 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 49 E 8.30 4.13 0.00 2.11 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 2.34 2.33 0.00 50 T 7.95 4.63 4.12 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 1.14 0.00 0.00 51 T 7.85 5.04 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 1.20 0.00 0.00 52 V 8.95 4.27 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 0.95 0.00 0.00 0.96 0.00 0.00 53 I 8.06 4.03 1.85 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 1.14 0.63 0.93 0.00 0.00 54 Q 9.05 4.16 0.00 1.47 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 55 Y 7.12 5.05 0.00 3.03 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 56 I 8.51 5.06 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.97 0.00 0.00 57 R 9.54 4.78 0.00 1.71 1.76 0.00 2.64 0.00 0.00 2.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.33 0.00 58 S 8.51 4.63 0.00 3.92 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.69 0.00 3.26 3.08 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 0.00 0.00 0.00 60 F 8.88 3.50 0.00 2.79 2.97 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 61 G 8.04 4.40 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 0.00 62 S 7.55 4.75 0.00 3.97 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 63 Y 8.63 4.30 0.00 3.11 3.23 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 64 K 7.60 4.69 0.00 1.16 1.36 0.00 1.21 0.00 0.00 1.40 0.00 0.00 2.50 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.06 0.83 7.81 65 S 8.94 5.24 0.00 3.80 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 66 K 8.94 4.87 0.00 1.72 1.67 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.73 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.19 1.26 7.81 67 G 8.55 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 0.00 0.00 0.00 68 Y 7.96 5.03 0.00 2.16 1.43 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 0.00 0.00 0.00 0.00 69 A 9.06 4.91 1.20 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 70 K 8.84 4.76 0.00 1.43 1.21 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.23 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.13 0.76 7.81 71 Y 8.59 4.93 0.00 2.82 2.56 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 0.00 0.00 0.00 72 Y 7.85 4.22 0.00 2.66 2.86 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 73 Y 7.70 4.17 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.83 4.79 0.00 2.76 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 75 K 9.02 3.77 0.00 1.71 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 76 D 8.11 4.45 0.00 2.97 2.67 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 77 R 7.70 4.19 0.00 1.89 2.13 0.00 3.42 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 *79 L 7.89 4.20 0.00 1.81 1.73 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.64 4.22 0.00 2.88 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 81 I 7.70 3.98 1.82 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.16 1.03 0.00 0.00 82 E 7.55 4.47 0.00 1.75 1.71 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 1.97 2.06 0.00 83 P 0.00 4.48 0.00 2.47 2.26 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.12 0.00 84 E 8.82 3.95 0.00 2.07 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 2.39 2.38 0.00 85 Y 8.12 4.16 0.00 3.26 3.19 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 0.00 86 I 6.72 3.27 1.61 0.00 0.00 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 0.77 -0.36 0.74 0.00 0.00 87 L 7.60 3.97 0.00 1.75 1.64 0.85 0.72 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 88 I 7.85 4.06 1.94 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 1.38 1.67 0.92 0.00 0.00 89 R 7.90 3.96 0.00 1.97 2.09 0.00 3.31 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 90 D 7.90 4.72 0.00 2.74 2.64 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 0.00 0.00 0.00 91 G 8.05 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 92 I 8.05 3.94 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.93 0.00 0.00 93 I 7.28 4.52 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.89 0.00 0.00 94 E 8.66 4.15 0.00 1.95 1.86 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 2.31 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.