NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3129 8.4444 120.2291 55.5708 31.7472 175.1981 4 R 4.3831 7.6906 118.4784 55.1745 32.6342 173.8732 5 F 4.2247 9.2614 124.6888 56.7481 37.9885 175.2418 6 D 4.4166 7.9682 118.7705 54.8682 41.5708 176.3345 7 S 4.4199 8.6187 119.1952 59.1515 63.3205 174.1926 8 D 4.5367 9.0816 120.9835 54.7934 41.1166 176.4092 9 R 4.4872 6.9888 117.2025 54.0233 32.4599 176.0666 10 S 4.1223 8.0988 115.0627 58.8373 64.0577 173.7474 11 R 4.9621 7.5815 120.8865 54.6499 33.2893 174.1491 12 Y 5.0910 9.4362 119.4916 56.2806 43.0567 173.8697 13 A 5.3855 8.6855 121.9403 49.9962 21.7673 176.4596 14 S 4.3142 9.1919 117.7352 57.9280 64.3826 175.2473 15 L 4.0409 8.8656 121.9335 58.4976 41.4441 179.3053 16 G 3.6327 7.9127 103.9280 47.6926 0.0000 175.6383 17 V 3.6423 7.6073 120.1456 65.7926 31.2845 178.1115 18 V 3.5881 7.8451 118.2568 66.1072 31.1491 177.6412 19 S 4.1914 8.4067 111.8015 59.6704 63.1448 174.4875 20 S 4.7164 7.9145 115.0199 57.6436 64.1521 173.8249 21 L 4.4175 7.1839 120.3110 51.4115 45.2820 175.1630 22 P 4.4539 0.0000 0.0000 62.4036 33.4901 177.5672 23 S 4.1632 8.6427 115.4282 61.9592 62.7667 177.2788 24 G 3.6742 7.9603 107.6189 47.8207 0.0000 175.3095 25 L 3.1635 6.8710 121.0953 57.3282 42.3324 178.6051 26 I 3.6058 7.2935 119.4350 64.5348 37.0269 178.0403 27 D 4.5778 8.1833 119.6302 57.6145 40.4974 179.0235 28 S 4.1419 7.8471 115.6019 61.7305 62.7311 176.8940 29 I 3.1632 7.3048 122.2908 63.8840 36.7288 178.5016 30 W 4.3006 7.5891 119.2012 59.7444 28.8367 178.3591 31 L 4.0262 8.2331 118.9977 57.8351 41.0309 179.3419 32 I 3.9584 8.4059 120.7572 64.6441 37.0948 178.2353 33 I 3.5826 7.7418 120.2554 64.7019 36.7611 178.3434 34 D 4.3630 8.3608 118.3717 57.2434 40.8399 178.3570 35 L 4.3213 8.7708 118.5751 55.9757 41.9763 177.3299 36 N 4.9376 8.5183 114.1943 52.7608 41.3597 175.1371 37 L 4.2834 7.7622 116.8808 55.6537 43.3378 176.4604 38 K 4.3488 7.7863 119.8726 57.1284 32.4438 177.0081 39 G 4.0140 9.1694 114.9219 45.2346 0.0000 173.6048 40 V 4.2252 7.6198 117.5711 63.1530 33.4528 175.5891 41 I 4.6825 7.5939 111.3782 57.6185 40.1519 173.3367 42 P 4.3986 0.0000 0.0000 63.2837 31.4563 175.4048 43 L 5.0136 8.1692 119.0696 52.7436 44.6049 176.5642 44 N 4.6359 9.5809 121.3593 53.2293 39.2390 175.6832 45 D 4.2681 8.7869 119.5337 55.2875 40.5761 175.1685 46 L 5.4807 7.7401 121.0427 53.5660 44.3223 175.3668 47 L 4.7832 9.4123 127.1909 53.5297 44.4909 175.3203 48 H 5.3188 8.6058 119.9025 54.3708 31.4298 174.2621 49 F 5.2707 9.2282 120.5373 55.8671 42.0480 173.8021 50 D 4.9869 9.0934 124.5600 53.8673 42.4243 175.9361 51 L 5.1241 8.8964 123.0081 53.4697 43.1151 175.9068 52 L 4.8198 9.2627 124.5788 52.7117 45.1298 176.0374 53 N 4.3398 8.3274 120.7532 53.0180 38.9526 174.4163 54 N 4.5216 9.3726 127.6858 52.7253 37.8154 174.1584 55 N 4.1698 9.6013 126.0943 54.2929 37.7838 174.9758 56 G 4.0672 9.0963 105.9511 44.6766 0.0000 174.1418 57 K 5.1001 8.0508 118.6191 54.4601 35.1665 174.6694 58 V 4.8565 8.4201 120.3246 62.4348 33.0944 174.5913 59 T 5.1023 9.2562 124.9644 61.9422 71.1544 173.4514 60 V 4.7273 8.8337 126.5346 61.7798 33.8741 173.8573 61 H 5.1687 9.3658 128.1776 54.3988 31.9940 172.3959 62 F 4.9755 8.7365 129.2406 57.4998 40.7815 174.4468 63 S 4.0075 7.8312 119.6044 56.7444 67.0420 172.2344 64 Q 4.3463 7.5693 117.0163 55.0352 31.4940 173.6465 65 E 4.2196 8.4661 118.6060 56.4587 30.6985 175.9169 66 N 4.1747 8.4594 116.0305 53.7140 36.2193 174.4095 67 S 4.5276 7.6435 107.6064 57.8635 65.2721 174.2584 68 S 4.6135 8.6540 120.3415 57.9245 63.1127 173.5965 69 V 4.0487 7.2979 120.8724 62.6375 31.9614 174.9492 70 E 4.9830 8.4884 126.8572 53.7831 32.5130 173.8375 *72 A 4.4125 8.4256 120.6504 52.8961 20.0097 176.8516 73 I 4.5286 9.0608 122.7355 59.4685 40.6179 174.5344 74 D 4.9071 8.8940 127.7803 53.9268 41.3598 176.0150 75 L 5.0109 8.4228 123.5223 52.1838 44.4433 175.2115 76 P 4.3633 0.0000 0.0000 63.8758 32.0163 176.6859 77 F 4.4964 7.5182 119.0240 57.5002 40.1364 174.9573 78 S 4.8138 8.8353 118.5481 58.9252 63.4278 173.3806 79 Y 4.4921 8.7883 125.3420 57.1905 39.8362 174.7157 80 S 4.2316 6.2458 118.4661 55.9622 65.3225 174.9686 81 T 3.8526 8.2882 116.4401 63.9682 68.6342 174.8045 82 A 4.1962 7.1031 123.7858 53.0772 18.8624 177.2663 83 Y 4.5735 7.2342 114.3242 56.3936 38.6052 174.0357 84 P 4.4008 0.0000 0.0000 63.0047 31.9772 176.8041 85 S 4.3927 8.6862 115.3499 60.8813 63.5098 173.9603 86 R 5.2940 7.5344 114.8199 54.4030 32.6030 174.1493 87 I 4.5592 8.8538 113.1025 59.3120 41.8668 173.7392 88 F 6.0400 9.1519 120.1104 55.8180 43.0887 174.1413 89 A 5.4974 9.1310 122.7013 50.3285 21.5953 175.2706 90 F 5.8057 9.9012 124.6930 56.5742 43.1580 173.2343 91 D 4.8013 8.6066 126.1502 52.1150 41.8483 175.2357 92 D 3.9703 7.8649 124.5107 53.6247 39.6826 177.5548 93 G 3.9306 8.4640 109.2159 45.5730 0.0000 173.1251 94 H 4.6198 8.2701 115.2022 57.1617 32.1728 173.1246 95 R 5.0114 8.7690 118.4789 54.4324 32.8116 174.6112 96 E 5.3073 9.0849 121.1494 55.1636 33.2723 175.2507 97 T 5.4140 9.5588 119.4481 62.4788 73.8108 172.7808 98 I 4.9259 9.1721 127.3728 60.2689 38.7603 174.9948 99 L 5.0744 8.8497 126.2913 54.1834 44.7374 175.4896 100 L 4.3761 8.6655 119.0740 53.1741 42.7097 176.5217 101 P 3.6843 0.0000 0.0000 65.6679 31.3116 177.7656 102 A 4.0813 7.9636 118.8069 55.3954 18.4316 178.3911 103 E 4.1663 7.5328 115.8781 55.8312 27.1686 176.8132 *105 L 4.0579 7.7791 123.3711 55.0652 42.2665 176.2693 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 3 E 8.44 4.31 0.00 1.98 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 0.00 2.20 2.25 0.00 4 R 7.69 4.38 0.00 1.81 1.85 0.00 3.43 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 5 F 9.26 4.22 0.00 3.21 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 6 D 7.97 4.42 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.42 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.08 4.54 0.00 2.85 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 9 R 6.99 4.49 0.00 1.89 1.90 0.00 3.24 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 10 S 8.10 4.12 0.00 3.82 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 11 R 7.58 4.96 0.00 0.91 0.75 0.00 2.46 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 12 Y 9.44 5.09 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 13 A 8.69 5.39 1.28 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 0.00 0.00 0.00 14 S 9.19 4.31 0.00 4.01 4.08 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 15 L 8.87 4.04 0.00 1.78 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.91 3.63 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 0.00 0.00 0.00 17 V 7.61 3.64 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 0.90 0.00 0.00 0.93 0.00 0.00 18 V 7.85 3.59 2.21 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 0.99 0.00 0.00 1.00 0.00 0.00 19 S 8.41 4.19 0.00 4.02 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 20 S 7.91 4.72 0.00 3.98 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 21 L 7.18 4.42 0.00 1.48 1.18 0.65 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.45 0.00 2.17 2.16 0.00 3.25 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 23 S 8.64 4.16 0.00 3.87 3.96 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 24 G 7.96 3.67 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 25 L 6.87 3.16 0.00 0.81 1.19 0.51 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.29 3.61 1.95 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 1.37 0.29 0.88 0.00 0.00 27 D 8.18 4.58 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.85 4.14 0.00 3.97 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 29 I 7.30 3.16 1.27 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.30 -0.36 0.00 0.00 30 W 7.59 4.30 0.00 3.55 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.03 0.00 1.87 1.74 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.41 3.96 1.86 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 1.53 0.74 0.95 0.00 0.00 33 I 7.74 3.58 2.10 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.86 0.00 0.00 34 D 8.36 4.36 0.00 2.64 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 35 L 8.77 4.32 0.00 1.49 1.72 0.93 0.96 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 36 N 8.52 4.94 0.00 2.74 2.77 0.00 0.00 6.87 7.39 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 37 L 7.76 4.28 0.00 1.69 1.46 0.61 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.79 4.35 0.00 1.98 1.73 0.00 1.97 0.00 0.00 1.83 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.45 7.81 39 G 9.17 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 0.00 0.00 0.00 40 V 7.62 4.23 2.22 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 0.89 0.00 0.00 0.93 0.00 0.00 41 I 7.59 4.68 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.94 0.00 0.00 42 P 0.00 4.40 0.00 2.23 2.15 0.00 3.73 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 2.03 0.00 43 L 8.17 5.01 0.00 1.80 1.82 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.58 4.64 0.00 3.01 2.87 0.00 0.00 6.43 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 45 D 8.79 4.27 0.00 2.88 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 46 L 7.74 5.48 0.00 1.75 1.58 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.41 4.78 0.00 1.72 1.52 0.51 1.12 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 48 H 8.61 5.32 0.00 2.97 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.23 5.27 0.00 3.01 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 50 D 9.09 4.99 0.00 2.71 2.65 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 0.00 51 L 8.90 5.12 0.00 1.72 1.81 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.26 4.82 0.00 1.56 1.53 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.33 4.34 0.00 1.44 2.19 0.00 0.00 6.90 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.37 4.52 0.00 2.72 2.72 0.00 0.00 6.64 6.54 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 55 N 9.60 4.17 0.00 2.81 2.82 0.00 0.00 7.53 7.98 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 56 G 9.10 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.05 5.10 0.00 2.02 1.77 0.00 1.57 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.56 7.81 58 V 8.42 4.86 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 1.13 0.00 0.00 1.35 0.00 0.00 59 T 9.26 5.10 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 1.35 0.00 0.00 60 V 8.83 4.73 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 1.19 0.00 0.00 0.98 0.00 0.00 61 H 9.37 5.17 0.00 3.33 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.74 4.98 0.00 3.23 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 63 S 7.83 4.01 0.00 3.69 3.63 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 64 Q 7.57 4.35 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.96 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 65 E 8.47 4.22 0.00 1.90 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 2.05 2.16 0.00 66 N 8.46 4.17 0.00 2.83 2.87 0.00 0.00 6.72 7.57 0.00 0.00 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 S 7.64 4.53 0.00 3.76 3.63 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 68 S 8.65 4.61 0.00 3.98 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 69 V 7.30 4.05 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 0.96 0.00 0.00 70 E 8.49 4.98 0.00 1.93 1.77 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 2.01 2.16 0.00 *72 A 8.43 4.41 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 73 I 9.06 4.53 1.95 0.00 0.00 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 1.27 0.76 0.95 0.00 0.00 74 D 8.89 4.91 0.00 2.59 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 75 L 8.42 5.01 0.00 1.86 1.81 1.05 1.19 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 76 P 0.00 4.36 0.00 1.87 1.99 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.65 0.00 77 F 7.52 4.50 0.00 3.14 3.12 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 78 S 8.84 4.81 0.00 3.85 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 79 Y 8.79 4.49 0.00 3.11 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 80 S 6.25 4.23 0.00 2.98 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 81 T 8.29 3.85 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 1.33 0.00 0.00 82 A 7.10 4.20 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 83 Y 7.23 4.57 0.00 2.73 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 84 P 0.00 4.40 0.00 2.27 2.01 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 85 S 8.69 4.39 0.00 4.08 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 86 R 7.53 5.29 0.00 1.97 2.02 0.00 3.05 0.00 0.00 3.45 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.65 0.00 87 I 8.85 4.56 1.92 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.81 0.00 0.00 88 F 9.15 6.04 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.13 5.50 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 90 F 9.90 5.81 0.00 3.17 3.07 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 0.00 0.00 0.00 91 D 8.61 4.80 0.00 1.58 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 0.00 0.00 0.00 92 D 7.86 3.97 0.00 2.78 2.45 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 93 G 8.46 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.27 4.62 0.00 3.04 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 95 R 8.77 5.01 0.00 1.81 2.01 0.00 3.11 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 96 E 9.08 5.31 0.00 1.98 2.30 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 2.04 2.18 0.00 97 T 9.56 5.41 4.55 0.00 0.00 0.00 0.00 0.00 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 98 I 9.17 4.93 1.84 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.18 0.76 0.00 0.00 99 L 8.85 5.07 0.00 1.72 1.83 1.03 0.52 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 0.00 100 L 8.67 4.38 0.00 1.65 1.47 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 3.68 0.00 1.81 1.87 0.00 3.40 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 0.00 102 A 7.96 4.08 1.25 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 0.00 0.00 103 E 7.53 4.17 0.00 2.16 1.95 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 2.34 2.23 0.00 *105 L 7.78 4.06 0.00 1.63 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.