NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5158 8.1749 117.3736 63.6877 70.0766 172.9481 2 T 4.5726 9.0818 121.6546 60.0299 71.9590 171.4129 3 I 5.1462 9.2834 121.0078 59.2475 41.1407 174.7833 4 V 4.6475 8.9215 116.7938 59.8396 36.5247 174.4884 5 G 4.5388 8.5697 108.4558 44.6702 0.0000 172.1692 6 V 4.6114 9.1921 124.0874 61.0088 34.8818 174.4001 7 K 4.8721 8.8615 127.5251 55.6746 33.3594 175.8980 8 F 5.1056 8.4081 118.4192 54.2094 41.0540 175.2612 9 N 4.3131 9.1731 117.3976 55.8136 36.5579 174.7690 10 N 4.9740 8.5100 115.6769 51.6679 40.4612 174.8327 11 G 3.5083 6.0325 104.0574 45.5232 0.0000 172.3745 12 V 4.9918 7.5888 119.6752 60.4998 34.4849 174.4468 13 V 4.8144 9.2905 122.0027 60.0217 34.8155 174.3500 14 I 5.2321 8.3208 114.4804 59.5530 40.8015 173.9119 15 A 4.8338 8.8957 123.8061 51.2556 23.0732 174.6508 16 A 5.6500 8.4332 119.0895 51.6735 22.4618 175.9318 17 D 4.7636 8.4906 119.6746 52.5303 42.0772 176.2674 18 T 4.8312 8.1725 106.1663 60.5229 70.3184 172.7881 19 R 4.8121 8.5760 123.0615 55.8715 31.2844 175.2960 20 S 4.9723 8.9235 121.5144 56.7012 64.8180 172.7935 21 T 5.1465 8.5128 115.6864 60.1499 72.4802 173.8412 22 Q 4.3863 8.9418 121.7755 54.5184 30.6608 176.4993 23 G 3.8233 8.2380 116.0674 46.3725 0.0000 170.9552 24 P 4.6107 0.0000 0.0000 62.6033 31.7770 175.5992 25 I 4.3017 7.5265 120.9511 59.7437 38.6882 175.0309 26 V 4.2280 8.2601 124.6092 62.2302 31.6311 175.4146 27 A 4.1888 8.6786 131.3281 54.0475 19.1534 176.8686 28 D 4.7967 7.7598 115.3185 52.4678 43.3478 176.0064 29 K 4.2630 8.7277 125.3121 57.8632 33.1356 176.9598 30 N 5.0472 8.5063 117.8812 52.2841 39.6051 173.3292 31 C 4.4549 8.2689 115.5763 57.1342 31.8204 173.0996 32 A 4.4016 8.3767 124.1644 51.2952 19.0565 177.5301 33 K 4.2461 8.5369 121.6077 56.4880 33.3074 175.8482 34 L 4.8398 7.8269 119.5094 54.4044 42.0525 175.8459 35 H 5.0508 9.6965 122.3867 53.9692 32.1763 173.4519 36 R 3.4723 7.9293 120.7932 54.9568 30.5126 175.9646 37 I 3.9370 8.5162 128.1939 63.1658 37.9818 175.7727 38 S 4.5743 7.2472 112.1592 55.8110 66.1006 172.6479 39 P 4.2556 0.0000 0.0000 65.4364 31.1882 177.7404 40 K 4.7383 8.1827 114.1656 55.9094 32.9047 174.9116 41 I 4.8676 7.8578 121.3044 59.6899 39.4286 174.7835 42 W 5.0538 9.3168 127.3474 55.1155 32.3791 174.8133 43 C 5.4840 9.6902 121.3317 58.0321 35.2714 172.5736 44 A 5.2170 8.2694 123.9109 49.5634 22.2861 175.4418 45 G 4.6578 8.8283 107.5505 44.4354 0.0000 171.2903 46 A 4.7576 9.2974 121.2591 50.5192 22.9344 175.5771 47 G 3.9747 8.7894 103.1606 44.4630 0.0000 174.9697 48 T 3.8799 8.3817 119.2555 63.6680 69.0916 174.2350 49 A 3.9977 8.7882 128.9411 55.5094 18.3290 178.8797 50 A 3.9776 7.9966 118.3239 55.3004 18.3686 179.5177 51 D 4.2594 8.0126 117.2525 57.6902 41.1708 178.8592 52 T 3.8658 7.8765 110.3165 64.7122 68.7126 176.1961 53 E 3.7594 8.1380 121.5909 58.8882 29.7334 178.6893 54 A 3.9534 8.1187 121.1500 55.1493 18.5433 180.0432 55 V 3.5618 8.0362 117.9205 65.0853 31.4196 178.8831 56 T 3.8591 7.7738 116.1272 66.6467 68.2654 176.8784 57 Q 3.9837 8.0692 119.9665 58.3988 28.6083 178.5149 58 L 3.8617 7.9600 121.5414 58.3810 42.2454 179.1837 59 I 3.7734 7.6201 119.3775 64.0594 36.9580 178.7627 60 G 3.5324 8.1008 106.8290 47.7179 0.0000 175.7169 61 S 4.0772 8.2186 115.9232 61.3105 62.4491 176.1164 62 N 4.4097 8.3601 119.1780 56.1184 38.1123 177.6232 63 I 3.7065 8.1159 121.9882 64.1302 37.1786 177.9246 64 E 3.9176 8.2356 120.1392 59.4324 29.5229 178.8785 65 L 4.0285 7.9066 118.9555 58.0659 41.6190 179.0974 66 H 4.1417 8.4648 118.2714 59.1393 29.8308 177.2072 67 S 4.2174 8.4780 115.3629 61.5467 62.0221 176.2052 68 L 4.0116 7.8561 120.3087 58.0081 41.4281 178.6209 69 Y 4.0858 8.0657 118.8491 60.1352 37.7413 177.0417 70 T 4.3439 8.3116 108.7937 60.7316 69.3216 175.1403 71 S 3.7347 7.9728 116.5948 59.7557 61.0607 171.9343 72 R 4.7741 7.2179 114.1300 53.9501 33.7320 175.4434 73 E 4.1755 8.5553 119.3501 55.5103 30.1356 175.6055 74 P 4.3971 0.0000 0.0000 62.9146 32.3026 175.9538 75 R 4.8267 8.1852 120.2331 54.2412 32.6720 177.5108 76 V 3.6202 8.8296 121.2852 66.3173 31.5214 179.0862 77 V 3.6739 7.7661 111.3736 64.0536 31.2705 178.5983 78 S 4.1047 7.9512 115.2022 61.3747 62.6835 176.3592 79 A 3.9475 7.8894 123.0485 54.8279 18.0727 179.2978 80 L 3.8537 8.0707 118.9484 58.4422 42.2565 179.0347 81 Q 3.9275 8.1093 119.4638 59.4513 29.0987 178.1339 82 M 4.0736 8.2758 119.8987 58.2091 31.8967 178.7670 83 L 4.0258 8.1372 119.5100 57.7026 41.8002 179.7409 84 K 4.0210 8.2897 118.9893 60.2187 32.3889 179.2586 85 Q 4.0347 8.1853 119.2588 58.5766 28.3365 178.1950 86 H 4.2677 7.9875 118.3661 59.3964 30.2861 177.0233 87 L 4.1709 8.3047 121.1424 57.7117 41.3917 179.2905 88 F 3.9962 8.5574 120.8224 61.1846 39.1280 176.9589 89 K 3.7886 7.7797 118.0627 59.3461 32.1151 177.2001 90 Y 4.2528 7.5723 114.8349 56.4991 37.9568 175.5888 91 Q 2.9694 7.7743 118.4616 56.8085 26.1764 175.8260 *93 G 4.0286 7.7950 104.2702 45.3987 0.0000 174.9894 94 H 4.3374 8.4784 117.0910 57.6400 28.8597 175.6391 95 I 4.2034 6.8760 117.5865 59.5636 36.9185 176.6910 96 G 4.1075 8.4757 117.6267 45.9621 0.0000 170.3815 97 A 5.1931 7.4482 119.9628 50.4391 21.6825 176.9678 98 Y 4.6515 8.7019 120.4251 56.2304 41.0238 175.0736 99 L 5.4013 8.6404 122.5479 53.1400 46.7037 175.7660 100 I 4.6324 8.7953 121.9038 59.6300 39.8162 174.9243 101 V 4.9565 8.5687 126.6218 59.8679 33.4384 174.9217 102 A 4.8120 9.3423 124.9306 49.9554 23.1277 174.9607 103 G 4.4536 7.7114 106.1479 46.7619 0.0000 172.3648 104 V 4.7184 8.1848 112.3392 59.6609 35.0523 176.1075 105 D 4.2531 8.4063 120.6123 53.9920 38.8650 175.1101 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 T 8.17 4.52 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 1.22 0.00 0.00 2 T 9.08 4.57 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 3 I 9.28 5.15 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.93 0.00 0.00 4 V 8.92 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 0.79 0.00 0.00 0.94 0.00 0.00 5 G 8.57 4.54 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 0.00 0.00 0.00 6 V 9.19 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 1.08 0.00 0.00 0.96 0.00 0.00 7 K 8.86 4.87 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 F 8.41 5.11 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 9 N 9.17 4.31 0.00 2.88 3.11 0.00 0.00 5.65 8.04 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 10 N 8.51 4.97 0.00 2.73 2.88 0.00 0.00 7.06 7.48 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 11 G 6.03 3.51 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 0.00 0.00 0.00 12 V 7.59 4.99 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 0.70 0.00 0.00 1.02 0.00 0.00 13 V 9.29 4.81 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 1.01 0.00 0.00 0.93 0.00 0.00 14 I 8.32 5.23 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.97 0.00 0.00 15 A 8.90 4.83 1.21 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 0.00 0.00 16 A 8.43 5.65 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 17 D 8.49 4.76 0.00 2.69 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 18 T 8.17 4.83 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 19 R 8.58 4.81 0.00 1.84 2.04 0.00 3.21 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 8.92 4.97 0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.51 5.15 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 1.21 0.00 0.00 22 Q 8.94 4.39 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.72 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 23 G 8.24 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 24 P 0.00 4.61 0.00 2.19 2.15 0.00 3.74 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 1.95 1.97 0.00 25 I 7.53 4.30 1.99 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 1.18 0.62 0.91 0.00 0.00 26 V 8.26 4.23 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.68 4.19 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 28 D 7.76 4.80 0.00 2.67 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 29 K 8.73 4.26 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.51 5.05 0.00 2.62 2.69 0.00 0.00 7.12 8.27 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 31 C 8.27 4.45 0.00 3.20 3.20 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 32 A 8.38 4.40 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 33 K 8.54 4.25 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 34 L 7.83 4.84 0.00 1.62 1.93 0.96 1.01 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 35 H 9.70 5.05 0.00 2.98 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.93 3.47 0.00 0.67 1.26 0.00 3.04 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.00 37 I 8.52 3.94 1.91 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 1.27 0.64 0.86 0.00 0.00 38 S 7.25 4.57 0.00 3.91 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 39 P 0.00 4.26 0.00 2.11 2.27 0.00 3.63 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 2.06 2.16 0.00 40 K 8.18 4.74 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 41 I 7.86 4.87 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.99 0.00 0.00 42 W 9.32 5.05 0.00 3.29 3.21 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 43 C 9.69 5.48 0.00 2.92 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 44 A 8.27 5.22 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 45 G 8.83 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.30 4.76 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 47 G 8.79 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 48 T 8.38 3.88 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 1.26 0.00 0.00 49 A 8.79 4.00 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 50 A 8.00 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 51 D 8.01 4.26 0.00 2.94 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 52 T 7.88 3.87 4.30 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 1.37 0.00 0.00 53 E 8.14 3.76 0.00 2.10 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 0.00 2.25 2.30 0.00 54 A 8.12 3.95 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 55 V 8.04 3.56 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 0.84 0.00 0.00 0.95 0.00 0.00 56 T 7.77 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 57 Q 8.07 3.98 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 58 L 7.96 3.86 0.00 1.78 1.56 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.62 3.77 1.98 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 1.43 0.23 0.88 0.00 0.00 60 G 8.10 3.53 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 0.00 0.00 0.00 61 S 8.22 4.08 0.00 3.92 4.05 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 0.00 0.00 0.00 62 N 8.36 4.41 0.00 2.74 2.82 0.00 0.00 7.09 7.14 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 63 I 8.12 3.71 2.06 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 1.51 0.96 0.90 0.00 0.00 64 E 8.24 3.92 0.00 2.11 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 0.00 2.31 2.36 0.00 65 L 7.91 4.03 0.00 1.90 1.72 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.46 4.14 0.00 3.26 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.48 4.22 0.00 4.04 4.05 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 0.00 0.00 0.00 68 L 7.86 4.01 0.00 1.94 1.76 0.93 0.76 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 69 Y 8.07 4.09 0.00 3.08 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 70 T 8.31 4.34 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 1.21 0.00 0.00 71 S 7.97 3.73 0.00 4.04 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 72 R 7.22 4.77 0.00 1.73 1.80 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 73 E 8.56 4.18 0.00 1.97 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 2.33 2.29 0.00 74 P 0.00 4.40 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 75 R 8.19 4.83 0.00 1.85 1.81 0.00 3.14 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 8.83 3.62 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 1.05 0.00 0.00 1.04 0.00 0.00 77 V 7.77 3.67 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 0.87 0.00 0.00 0.93 0.00 0.00 78 S 7.95 4.10 0.00 4.05 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 79 A 7.89 3.95 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 80 L 8.07 3.85 0.00 1.88 1.83 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.11 3.93 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.28 4.07 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 83 L 8.14 4.03 0.00 1.89 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.29 4.02 0.00 1.99 2.08 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.56 7.81 85 Q 8.19 4.03 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 86 H 7.99 4.27 0.00 3.29 3.61 0.00 5.96 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 87 L 8.30 4.17 0.00 1.76 1.70 0.88 1.24 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 88 F 8.56 4.00 0.00 3.24 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 89 K 7.78 3.79 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.84 1.27 7.81 90 Y 7.57 4.25 0.00 2.97 2.92 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 91 Q 7.77 2.97 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 *93 G 7.80 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 0.00 0.00 0.00 94 H 8.48 4.34 0.00 3.31 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.88 4.20 1.79 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.27 0.83 0.00 0.00 96 G 8.48 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 97 A 7.45 5.19 1.18 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 0.00 0.00 98 Y 8.70 4.65 0.00 2.96 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 99 L 8.64 5.40 0.00 1.50 1.63 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.80 4.63 1.92 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 1.33 1.20 0.96 0.00 0.00 101 V 8.57 4.96 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.34 4.81 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 0.00 103 G 7.71 4.45 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 0.00 104 V 8.18 4.72 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 0.73 0.00 0.00 0.97 0.00 0.00 105 D 8.41 4.25 0.00 2.79 2.66 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.