NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.4344 8.1300 115.1864 56.6709 39.8340 176.9438 13 V 3.4556 7.9481 122.8887 66.7911 31.2806 174.9276 14 A 4.0406 8.7226 120.4236 55.2610 18.8878 178.5796 15 E 4.1134 8.2111 116.6669 59.5011 29.6611 179.3817 16 L 4.0526 8.3084 119.1079 57.6843 41.4993 179.2296 17 N 4.4112 8.2625 116.7333 56.1732 38.2351 176.6927 18 N 4.4912 7.8093 117.3353 55.4480 39.2036 175.7820 19 L 4.5353 7.5675 119.1885 53.5848 42.1891 176.0975 20 L 4.3127 7.0260 120.1164 56.2875 41.9839 177.8281 21 G 3.9876 9.1522 111.4227 45.1274 0.0000 173.3940 22 R 4.7056 7.8938 118.5884 54.2452 33.3503 175.2348 23 E 4.7935 8.3078 119.1930 56.6393 30.4122 176.7789 24 V 4.6922 8.8628 115.8699 60.1257 37.2516 173.3917 25 Q 5.0573 9.1240 122.6033 54.3861 32.1877 174.1508 26 V 4.6842 8.9356 125.8992 61.1423 34.5937 174.1278 27 V 4.4470 8.6407 128.9135 61.8033 32.8077 174.7624 28 L 5.3590 8.6613 128.3441 53.1251 43.8147 177.9617 29 S 4.3793 9.1718 116.3021 60.0728 63.1483 174.5490 30 N 4.6998 8.2238 117.8956 52.7344 37.4456 175.3006 31 G 4.0581 8.1799 108.6543 45.6024 0.0000 174.3929 32 E 4.1973 8.4318 118.9111 56.4326 31.1005 176.4554 33 V 4.8140 7.9924 120.8129 61.6165 34.8098 173.4964 34 Y 4.9622 9.0029 125.6897 56.0392 40.8020 174.7094 35 K 5.0192 9.2722 124.6315 54.2391 35.6962 175.4498 36 G 4.3558 7.9587 112.2703 46.2250 0.0000 171.3692 37 V 4.3618 7.6435 120.2426 62.0398 32.8078 175.1148 38 L 4.2483 9.5660 131.5009 56.0678 42.1905 176.2919 39 H 4.6837 9.3043 127.3099 57.6280 31.3716 174.8191 40 A 4.8557 7.7013 117.6235 50.7481 22.6846 175.7813 41 V 4.8780 8.2380 119.6914 60.7379 34.6068 174.0495 42 D 4.9914 8.3951 125.4914 51.4188 41.8575 176.5099 43 N 4.3455 8.5861 115.1733 56.3084 38.5201 176.0916 44 Q 3.9190 7.9950 114.4920 55.3219 29.1107 175.5343 45 L 3.7588 7.6246 116.8623 55.7180 39.4311 174.4290 46 N 4.9014 8.5672 115.7740 53.4746 40.1024 174.4549 47 I 4.9662 8.7035 121.7036 59.5998 41.6921 174.3891 48 V 4.6459 8.7890 126.1766 61.0865 33.9256 174.1946 49 L 5.2331 8.6399 127.4921 52.9977 44.6747 175.1544 50 A 4.8679 8.6233 123.5827 50.7162 21.7494 176.0273 51 N 4.1700 8.1751 117.2837 54.3222 36.6744 173.3219 52 A 5.2488 8.1604 120.9169 50.9052 22.7390 177.3556 53 S 5.8556 9.4405 112.7281 57.3942 67.2009 173.2741 54 N 4.9716 8.3743 118.4771 50.1019 39.9002 175.4331 55 K 3.7748 8.4958 117.1568 59.7666 31.9961 178.3676 56 A 4.0448 7.8486 118.1620 53.0139 18.2769 178.0136 57 G 3.9410 8.0671 104.7112 44.7867 0.0000 173.9833 58 E 4.0944 8.2548 119.9237 56.1284 30.6408 176.0551 59 K 5.1030 7.9680 121.5610 54.6755 35.3959 175.5523 60 F 4.8438 9.1564 121.4973 55.7773 43.1140 175.4888 61 N 4.4723 9.0805 120.7313 56.3540 40.1318 174.9867 62 R 4.8852 7.8718 115.8378 54.2922 34.3527 174.8670 63 V 3.9898 8.4511 123.5057 60.9697 34.2515 174.1689 64 F 4.7049 8.7468 127.2085 56.6190 39.6389 175.0176 65 I 4.4913 8.7491 130.5095 60.5554 39.8506 176.5674 *67 Y 4.7586 8.4970 119.4435 58.1330 39.7906 177.6142 68 R 3.5813 7.1483 118.0342 58.5706 30.2358 176.6982 69 Y 4.2616 7.7701 113.1200 57.6667 38.4627 174.4968 70 I 4.3457 7.5352 122.5709 60.9761 37.2395 176.0183 71 V 4.0500 9.0305 128.9329 65.4201 31.9800 175.4321 72 H 4.8884 7.6124 113.0804 54.9876 31.5686 172.0893 73 I 5.0232 8.3042 118.9418 59.6497 40.4158 174.8257 74 D 5.0241 9.6731 125.7530 52.4946 44.6726 174.7263 75 S 4.9948 8.6078 116.1694 56.9007 64.7304 173.6215 76 T 4.3774 8.6261 115.3362 62.0921 70.1950 175.1542 77 E 4.2815 7.3122 121.3162 57.0531 30.5930 177.0383 78 R 4.4438 7.8760 111.4494 56.6032 29.9649 173.5754 79 R 4.2017 8.0443 125.7996 55.9625 31.3049 176.0369 80 I 4.0546 8.2153 125.0157 60.7362 37.4625 175.3116 81 D 4.7653 8.5794 125.3456 52.8367 43.3410 176.8015 *83 R 3.7860 8.2582 118.2000 55.9759 31.9895 178.0076 84 E 3.9811 8.0797 117.6908 59.0096 29.5368 178.6948 85 F 3.5654 8.0489 120.3578 60.7219 39.3402 176.7562 86 A 3.8548 8.0234 119.9795 55.2841 17.9207 179.4770 87 K 3.8492 7.8066 115.3432 59.8961 32.3130 179.3291 88 Q 4.0537 7.9081 117.9661 58.7921 28.5698 178.6019 89 A 3.9057 8.0287 122.1508 54.7853 18.0892 179.2869 90 E 3.9318 8.2263 118.2236 59.3432 29.4383 179.1556 91 K 4.0462 7.6327 118.0439 58.9901 32.0923 178.6250 92 I 3.8919 7.3602 118.3732 61.7692 39.0276 176.1071 93 F 4.9189 8.3801 116.8183 54.2939 38.8921 173.1645 94 P 4.4392 0.0000 0.0000 63.7399 31.7954 177.1202 95 G 3.5640 9.0509 110.8636 46.4716 0.0000 173.6182 *97 V 4.1500 7.5408 116.9855 62.4024 33.0637 174.6862 98 K 4.6377 8.6595 127.7021 55.0507 35.6791 174.0530 99 Y 4.8637 8.7968 128.5795 56.8276 40.4101 174.8307 100 I 4.1727 7.8778 127.8200 59.0164 38.3376 176.0697 101 E 3.7986 8.4710 126.0850 58.9414 29.7987 178.7225 102 E 4.0635 8.1522 118.5415 58.6950 29.5626 177.4944 103 T 4.3958 7.4044 104.5790 60.2458 69.5711 172.8884 104 N 4.1194 7.9220 118.9925 55.2537 38.0794 173.5686 105 V 4.7078 7.2589 107.0774 59.0756 36.3926 174.7105 106 V 4.8674 8.9003 121.8704 61.3130 34.0822 174.1722 107 L 4.9842 9.1382 128.0827 53.3417 43.7308 175.6750 108 I 4.0748 8.3526 123.7349 60.2829 39.9365 176.3083 109 G 4.1934 8.4578 118.6505 45.5568 0.0000 171.8320 110 D 4.6756 8.5826 117.5493 54.6643 41.5963 176.9943 111 K 4.5789 7.9013 116.5237 55.4657 33.7049 175.4737 112 V 4.6149 7.5581 118.3673 61.0436 34.9023 174.3779 113 R 4.9025 8.8614 126.9071 54.5572 33.8298 173.5631 114 V 4.6958 9.2021 126.4326 61.1205 34.2990 174.7304 115 S 5.0831 8.2111 122.5688 56.0548 66.0563 174.5321 116 E 4.3948 8.8541 116.3680 58.2229 29.4400 177.5313 117 I 3.9915 7.7561 119.4418 61.5188 37.9923 174.7698 118 G 3.1061 6.5563 106.2949 43.1402 0.0000 172.7312 119 V 4.2114 7.5345 119.2846 61.7524 32.6316 175.1684 120 E 4.4526 9.6033 126.3731 53.5569 32.0274 175.4529 121 G 4.3949 7.7125 111.5552 43.4747 0.0000 171.8278 122 V 4.3669 7.5590 112.7394 60.0154 35.7693 175.7899 123 G 3.9100 8.6459 107.3372 44.3076 0.0000 172.2506 124 P 4.2574 0.0000 0.0000 65.8486 31.0012 178.7776 125 V 3.7140 7.8698 115.8201 66.1743 31.5165 177.5053 126 A 3.9847 8.0451 119.8046 55.2783 18.2824 179.2349 127 E 3.9211 8.2911 116.8324 59.6510 29.6204 179.4924 128 R 3.9828 8.4687 118.7422 59.5678 30.1684 178.2855 129 A 4.4040 8.6667 120.8400 55.2690 18.2648 179.8061 130 K 4.0800 8.6141 117.4342 59.6942 32.0960 179.8026 131 R 3.9913 8.0418 117.9536 59.1487 29.9780 178.7807 132 L 4.0994 8.2783 120.1487 58.2988 42.1637 178.8134 133 F 4.2378 9.0302 120.9565 61.2827 39.0748 176.7620 134 E 3.9867 8.3892 117.2846 59.6562 29.5558 178.9501 135 E 4.1204 8.4682 118.5030 59.4215 29.3175 179.0850 136 F 4.2413 8.5094 119.9785 61.3047 39.4306 176.8407 137 L 3.6362 7.5308 113.7391 54.2071 41.0341 177.2616 138 K 4.1994 7.7373 125.2556 56.9639 32.7909 174.3956 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 12 F 8.13 5.43 0.00 3.20 3.38 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 13 V 7.95 3.46 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 1.09 0.00 0.00 0.86 0.00 0.00 14 A 8.72 4.04 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 15 E 8.21 4.11 0.00 2.15 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 2.44 2.49 0.00 16 L 8.31 4.05 0.00 1.80 1.78 1.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.26 4.41 0.00 3.09 2.89 0.00 0.00 6.54 6.23 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 18 N 7.81 4.49 0.00 2.80 3.04 0.00 0.00 7.16 7.67 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 19 L 7.57 4.54 0.00 1.87 1.65 0.90 0.58 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 20 L 7.03 4.31 0.00 1.60 1.62 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.15 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 22 R 7.89 4.71 0.00 1.80 2.01 0.00 3.30 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 23 E 8.31 4.79 0.00 1.91 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 2.35 2.44 0.00 24 V 8.86 4.69 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 0.66 0.00 0.00 0.95 0.00 0.00 25 Q 9.12 5.06 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 8.94 4.68 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 0.94 0.00 0.00 0.97 0.00 0.00 27 V 8.64 4.45 1.72 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 0.93 0.00 0.00 0.85 0.00 0.00 28 L 8.66 5.36 0.00 1.92 1.66 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.17 4.38 0.00 4.04 4.06 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 30 N 8.22 4.70 0.00 2.85 2.94 0.00 0.00 6.36 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.18 4.06 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 0.00 0.00 0.00 32 E 8.43 4.20 0.00 2.20 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 2.33 2.30 0.00 33 V 7.99 4.81 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 1.00 0.00 0.00 0.91 0.00 0.00 34 Y 9.00 4.96 0.00 2.94 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 35 K 9.27 5.02 0.00 1.78 1.63 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.36 7.81 36 G 7.96 4.36 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 0.00 37 V 7.64 4.36 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 0.96 0.00 0.00 0.94 0.00 0.00 38 L 9.57 4.25 0.00 1.86 1.68 0.96 0.05 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 39 H 9.30 4.68 0.00 3.08 3.35 0.00 6.02 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 40 A 7.70 4.86 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 41 V 8.24 4.88 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 0.80 0.00 0.00 0.99 0.00 0.00 42 D 8.40 4.99 0.00 2.81 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 43 N 8.59 4.35 0.00 2.68 2.85 0.00 0.00 6.79 7.69 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 44 Q 8.00 3.92 0.00 1.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 45 L 7.62 3.76 0.00 1.77 1.88 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.57 4.90 0.00 3.00 2.85 0.00 0.00 6.81 8.09 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 47 I 8.70 4.97 1.92 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 1.38 1.16 0.93 0.00 0.00 48 V 8.79 4.65 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 0.66 0.00 0.00 1.10 0.00 0.00 49 L 8.64 5.23 0.00 1.52 1.51 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.62 4.87 1.12 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 0.00 0.00 0.00 51 N 8.18 4.17 0.00 2.82 2.83 0.00 0.00 6.83 7.13 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 52 A 8.16 5.25 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 53 S 9.44 5.86 0.00 3.93 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 54 N 8.37 4.97 0.00 2.27 1.51 0.00 0.00 6.74 6.89 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 55 K 8.50 3.77 0.00 1.65 1.87 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.47 7.81 56 A 7.85 4.04 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 57 G 8.07 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 58 E 8.25 4.09 0.00 2.07 1.64 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 2.33 2.51 0.00 59 K 7.97 5.10 0.00 1.42 1.58 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.50 7.81 60 F 9.16 4.84 0.00 3.01 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 61 N 9.08 4.47 0.00 2.80 2.86 0.00 0.00 6.86 7.65 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 62 R 7.87 4.89 0.00 1.58 0.94 0.00 3.03 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 63 V 8.45 3.99 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 0.46 0.00 0.00 0.65 0.00 0.00 64 F 8.75 4.70 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 65 I 8.75 4.49 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.95 0.00 0.00 *67 Y 8.50 4.76 0.00 3.27 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.15 3.58 0.00 1.30 1.33 0.00 2.94 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.00 69 Y 7.77 4.26 0.00 3.13 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 70 I 7.54 4.35 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 1.01 0.00 0.00 71 V 9.03 4.05 2.23 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 0.88 0.00 0.00 0.97 0.00 0.00 72 H 7.61 4.89 0.00 3.19 3.38 0.00 5.45 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.30 5.02 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.95 0.00 0.00 74 D 9.67 5.02 0.00 2.52 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 75 S 8.61 4.99 0.00 3.79 3.64 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 76 T 8.63 4.38 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 77 E 7.31 4.28 0.00 1.96 1.97 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 2.34 2.24 0.00 78 R 7.88 4.44 0.00 1.78 1.83 0.00 3.03 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 79 R 8.04 4.20 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 80 I 8.22 4.05 1.98 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 1.29 0.68 1.22 0.00 0.00 81 D 8.58 4.77 0.00 2.88 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 *83 R 8.26 3.79 0.00 1.88 1.71 0.00 3.24 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.77 0.00 84 E 8.08 3.98 0.00 2.16 2.38 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 2.50 2.40 0.00 85 F 8.05 3.57 0.00 1.52 2.70 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 86 A 8.02 3.85 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 0.00 0.00 87 K 7.81 3.85 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.62 7.81 88 Q 7.91 4.05 0.00 2.05 2.08 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 2.41 2.57 0.00 89 A 8.03 3.91 0.98 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 90 E 8.23 3.93 0.00 2.18 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 2.30 2.39 0.00 91 K 7.63 4.05 0.00 1.82 1.81 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.60 7.81 92 I 7.36 3.89 1.28 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.63 0.11 0.00 0.00 93 F 8.38 4.92 0.00 2.88 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 94 P 0.00 4.44 0.00 2.18 2.09 0.00 3.51 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 9.05 3.56 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 0.00 0.00 0.00 *97 V 7.54 4.15 2.29 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 0.83 0.00 0.00 1.07 0.00 0.00 98 K 8.66 4.64 0.00 1.84 1.56 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.38 7.81 99 Y 8.80 4.86 0.00 3.02 2.91 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 0.00 100 I 7.88 4.17 1.63 0.00 0.00 0.78 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 1.03 0.84 0.00 0.00 101 E 8.47 3.80 0.00 2.18 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 0.00 2.26 2.33 0.00 102 E 8.15 4.06 0.00 1.89 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 2.29 2.34 0.00 103 T 7.40 4.40 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 1.16 0.00 0.00 104 N 7.92 4.12 0.00 2.91 2.93 0.00 0.00 6.89 7.08 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 0.00 105 V 7.26 4.71 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 0.65 0.00 0.00 0.83 0.00 0.00 106 V 8.90 4.87 2.34 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 1.14 0.00 0.00 1.27 0.00 0.00 107 L 9.14 4.98 0.00 1.55 1.50 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.35 4.07 1.55 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.19 -0.21 0.00 0.00 109 G 8.46 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 0.00 0.00 0.00 0.00 110 D 8.58 4.68 0.00 2.65 2.69 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 0.00 111 K 7.90 4.58 0.00 1.65 1.73 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.56 4.61 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 113 R 8.86 4.90 0.00 1.82 1.62 0.00 3.03 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 114 V 9.20 4.70 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 0.00 0.00 0.95 0.00 0.00 115 S 8.21 5.08 0.00 3.87 3.88 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 0.00 116 E 8.85 4.39 0.00 2.28 2.25 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 2.33 2.39 0.00 117 I 7.76 3.99 1.83 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 1.23 0.45 0.86 0.00 0.00 118 G 6.56 3.11 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 0.00 119 V 7.53 4.21 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 0.75 0.00 0.00 0.80 0.00 0.00 120 E 9.60 4.45 0.00 1.90 1.65 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 2.14 2.16 0.00 121 G 7.71 4.39 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 0.00 122 V 7.56 4.37 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.65 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 0.00 0.00 0.00 124 P 0.00 4.26 0.00 2.22 2.18 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 125 V 7.87 3.71 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 0.90 0.00 0.00 0.98 0.00 0.00 126 A 8.05 3.98 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 0.00 127 E 8.29 3.92 0.00 2.26 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 2.36 2.53 0.00 128 R 8.47 3.98 0.00 2.04 2.43 0.00 3.19 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 1.46 1.72 0.00 129 A 8.67 4.40 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.61 4.08 0.00 2.04 1.95 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.65 7.81 131 R 8.04 3.99 0.00 2.13 2.05 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 132 L 8.28 4.10 0.00 2.09 2.22 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.03 4.24 0.00 3.15 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 0.00 134 E 8.39 3.99 0.00 2.21 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 0.00 2.44 2.75 0.00 135 E 8.47 4.12 0.00 2.23 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 2.61 2.51 0.00 136 F 8.51 4.24 0.00 3.23 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 0.00 137 L 7.53 3.64 0.00 1.63 1.48 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.74 4.20 0.00 1.64 1.65 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.