NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6016 8.1933 115.4164 57.6420 64.5033 174.2580 2 L 4.1780 8.2759 122.3346 57.8460 40.8123 178.7235 3 L 4.0680 8.4295 119.6957 57.9632 41.5682 179.1479 4 E 4.0930 8.0548 117.9173 59.2207 29.4663 178.9262 5 F 4.7388 8.5971 120.8419 61.5924 39.7306 177.2507 6 G 3.6190 8.9359 106.2546 47.3586 0.0000 174.6707 7 R 4.4793 7.6668 115.1212 56.5252 30.0092 178.0033 8 M 4.3737 8.0748 120.5714 58.9978 32.2833 177.8948 9 I 3.6331 7.6235 119.4895 64.2870 36.9127 177.7247 10 L 4.3266 7.4836 120.6577 56.7275 41.7202 178.6328 11 E 4.0521 7.5507 117.0541 58.9027 29.4912 178.3591 12 E 4.2643 8.0047 117.8169 58.8641 30.0848 178.2232 13 T 4.2809 8.1094 108.3989 61.9991 70.0118 176.0047 14 G 3.8230 7.6691 108.7231 45.1328 0.0000 172.9112 *16 K 4.6110 7.5296 117.6698 55.9798 32.3313 174.9672 17 L 4.1769 8.1189 121.4243 54.1752 42.7203 177.7276 18 A 4.0503 8.8703 126.5596 55.1045 18.4007 177.3978 19 I 4.4744 7.3933 115.1111 61.0060 38.7415 172.7908 20 P 4.9250 0.0000 0.0000 63.2831 28.3918 175.7579 21 S 4.1531 7.0488 109.0994 60.5278 62.6234 175.4429 22 Y 4.6188 7.9659 114.9090 57.4544 39.9675 177.7356 23 S 4.0153 7.5764 112.8879 60.9649 62.7236 175.7122 24 S 4.9939 7.7314 115.9493 57.6404 63.5226 172.7577 25 Y 4.4548 8.4222 122.4722 59.1260 40.1320 174.9558 26 G 3.3391 7.7432 115.9004 47.2688 0.0000 173.8122 27 C 4.6441 9.0818 117.0120 57.3610 41.3036 173.7037 28 Y 4.5383 8.0948 114.3863 57.4741 39.5304 175.2606 29 C 4.5621 8.2442 117.9925 57.8713 41.7355 173.9099 30 G 4.1581 8.4192 108.0848 46.0790 0.0000 172.7917 31 W 4.6427 8.7836 124.1354 55.2055 31.2514 174.6129 32 G 4.3372 8.5779 105.7655 44.7624 0.0000 174.6062 33 G 4.3505 8.1605 106.3487 46.0197 0.0000 172.7973 34 K 4.5682 7.9991 118.5337 54.4239 35.4565 175.6689 35 G 3.8141 9.3865 107.1517 45.5193 0.0000 172.6865 36 T 4.4467 7.6554 114.7190 61.4950 69.8131 172.6665 37 P 4.2777 0.0000 0.0000 61.7560 31.8985 176.2777 38 K 3.8078 9.9820 125.3439 58.9449 32.1636 176.3444 39 D 4.5509 7.3969 115.1244 50.9183 42.1798 174.8880 40 A 3.9751 8.8685 120.2484 56.1870 18.4238 179.3122 41 T 4.1287 8.0629 113.1224 67.1511 68.5951 176.0260 42 D 4.5485 9.0575 119.9818 57.5895 41.1079 178.5352 43 R 4.0591 8.5078 118.9502 59.3500 29.8921 178.4118 44 C 4.2818 8.1858 116.3814 60.0609 41.0257 175.4212 45 C 4.2465 8.3229 117.8466 59.7389 37.5050 175.5498 46 F 3.6893 8.1116 122.2630 61.3377 38.9789 177.3346 47 V 3.1707 8.0373 117.9670 66.1388 31.2727 177.4841 48 H 3.8938 8.3423 118.2923 59.0554 29.6165 176.8059 49 D 4.3053 7.9326 119.9872 57.4797 40.8312 177.6284 50 C 4.1769 7.5452 116.2395 59.6812 35.4505 175.0728 51 C 4.3112 7.8466 120.3296 59.9560 38.9394 175.2329 52 Y 4.2186 8.1329 118.5163 61.0101 37.2227 178.7032 53 G 3.7666 8.2510 105.4183 46.6436 0.0000 174.1785 54 N 4.9934 7.6140 117.5812 52.6074 41.0035 175.4543 55 L 4.8209 7.3308 116.6401 52.8615 41.8923 175.2835 56 P 4.1937 0.0000 0.0000 65.3761 32.2011 178.5278 *59 D 4.7259 7.8632 114.9675 53.2507 41.2252 175.4466 *61 C 5.0046 7.5397 116.4132 57.3875 42.5862 172.5344 *67 N 5.5470 8.0016 116.7285 52.6782 36.9202 173.4817 68 P 3.9044 0.0000 0.0000 65.4069 31.7027 179.0882 69 Q 4.3273 7.9524 116.1885 57.6177 28.9968 177.7311 70 S 4.4669 7.2170 109.5303 58.7362 65.0187 174.4943 71 D 4.4071 8.1059 120.9992 53.9363 41.3745 175.5419 72 R 4.4588 8.7026 125.3709 54.8660 31.0954 175.2323 73 Y 4.9865 7.8651 119.1686 54.9865 41.5055 174.4419 74 K 4.9434 8.6481 119.3582 54.9545 34.9983 174.9372 75 Y 5.4821 8.2902 121.0055 55.4638 41.4344 173.8905 76 K 4.6869 9.4831 119.3918 55.3283 36.9071 174.8666 77 R 5.1393 8.5876 119.5716 54.5883 31.9434 175.9169 78 V 4.2142 9.0224 124.3613 62.1536 34.0356 174.9153 79 N 4.0495 9.9039 126.2854 54.7536 37.0170 174.5716 80 G 3.9032 8.1902 102.6170 45.6601 0.0000 172.4897 81 A 4.8422 7.9062 122.3027 49.8319 21.7610 176.4283 82 I 4.3937 8.3315 122.4617 61.2991 38.2047 175.7349 83 V 4.4118 9.3852 126.6786 61.2062 34.5578 173.5930 84 C 4.9585 8.8926 125.9208 56.4398 40.5763 173.6714 85 E 4.3885 8.6689 123.6155 55.9272 30.4176 177.0655 86 K 4.7063 7.9580 120.5202 55.6341 33.8307 176.5379 *88 G 4.4616 8.1963 110.6455 45.5110 0.0000 173.1675 89 T 4.2643 8.4193 115.6228 60.6575 71.2186 175.6243 90 S 4.0328 8.5008 114.6335 61.8337 62.1473 176.5244 91 C 4.1782 8.1009 118.3761 60.2948 34.5582 175.6479 92 E 3.8464 8.1556 119.9018 59.7080 28.8868 179.5660 93 N 4.2577 8.0996 116.2902 56.3491 38.8528 177.8170 94 R 3.8722 7.9098 119.4580 58.9936 30.0450 179.2708 95 I 3.5471 7.8977 120.0192 64.4260 37.1216 177.3772 96 C 3.0928 7.3646 118.8198 59.6270 41.4049 175.6232 97 E 3.8014 7.8563 119.6784 59.3376 28.9859 178.7555 98 C 4.1695 7.8478 116.3608 60.1274 41.4809 175.8840 99 D 3.8906 8.0726 120.4602 57.0689 40.3483 178.7810 100 K 3.8406 8.3782 120.3678 59.3723 32.1672 178.7288 101 A 3.8767 7.9398 120.8829 54.9458 18.1916 179.5465 102 A 3.4924 7.8161 118.9152 54.9694 18.4528 179.5159 103 A 3.8897 7.9430 119.2297 55.5601 18.5283 179.8032 104 I 3.6152 7.7675 118.0695 64.6574 37.2629 177.8097 105 C 4.4557 7.8982 120.4690 59.0947 43.2132 175.3174 106 F 4.5330 7.8252 118.7849 61.0053 38.8736 177.7122 107 R 4.1404 8.1233 115.3614 59.4660 28.7770 178.8038 108 Q 4.1696 8.3431 118.5096 57.6972 28.5483 177.5742 109 N 5.0751 7.8356 115.7553 52.8487 39.4376 176.3001 110 L 4.0997 8.0892 122.5036 58.0918 41.7109 178.8961 111 N 4.7016 8.2573 112.7560 54.2412 37.1708 175.0662 112 T 4.5242 7.8198 107.7244 61.1294 69.9981 173.5602 113 Y 3.8872 8.2294 125.3130 58.2206 39.1869 174.6753 114 S 4.7408 8.4900 121.7261 56.0068 64.4364 174.7208 115 K 3.9544 8.7778 127.5870 59.2473 32.0486 178.7559 116 K 3.5353 7.8484 118.8230 58.8355 32.0474 176.2448 117 Y 4.5484 7.5026 114.4757 57.6944 38.8064 175.6207 118 M 4.3781 7.7062 120.3588 56.0910 32.5504 175.6870 119 L 3.6844 8.4859 119.1395 55.8471 39.4285 174.3594 120 Y 4.0882 7.5625 118.5428 56.5214 39.3374 173.0498 121 P 4.1804 0.0000 0.0000 62.7477 30.9943 176.2484 122 D 4.2299 8.7395 124.9213 57.3145 41.1649 179.2286 *124 F 4.8132 8.0264 118.9973 58.2122 40.7610 175.9270 125 L 3.6450 7.7215 118.2789 56.5038 41.4099 176.4064 126 C 4.5852 7.8749 116.8638 55.4949 39.9043 173.0056 127 K 4.5584 8.5775 124.1526 55.4784 34.5715 177.4377 128 G 3.9634 8.8635 107.6561 45.8887 0.0000 171.8717 129 E 4.7552 8.2635 121.0845 53.7410 30.6468 175.6156 130 L 4.1654 8.4665 128.4898 54.3422 43.2429 176.4536 131 K 3.9154 8.4970 124.2483 56.7769 32.2359 177.8241 *133 C 5.3956 8.6296 122.6602 57.0180 44.6665 173.1386 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 S 8.19 4.60 0.00 4.05 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 0.00 2 L 8.28 4.18 0.00 1.94 2.01 1.52 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.43 4.07 0.00 1.87 1.73 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.05 4.09 0.00 1.80 1.94 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 1.72 2.32 0.00 5 F 8.60 4.74 0.00 3.41 3.34 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 6 G 8.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.48 0.00 2.16 2.21 0.00 2.92 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 8 M 8.07 4.37 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.43 0.00 9 I 7.62 3.63 1.83 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.26 0.50 0.00 0.00 10 L 7.48 4.33 0.00 1.95 1.65 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.55 4.05 0.00 2.29 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 2.41 2.74 0.00 12 E 8.00 4.26 0.00 1.98 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 2.32 2.45 0.00 13 T 8.11 4.28 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 1.25 0.00 0.00 14 G 7.67 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 *16 K 7.53 4.61 0.00 1.86 1.67 0.00 1.39 0.00 0.00 1.18 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.28 7.81 17 L 8.12 4.18 0.00 1.82 1.58 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.87 4.05 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 19 I 7.39 4.47 1.90 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 1.46 0.66 0.94 0.00 0.00 20 P 0.00 4.92 0.00 2.21 2.50 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 21 S 7.05 4.15 0.00 3.83 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 22 Y 7.97 4.62 0.00 2.95 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 23 S 7.58 4.02 0.00 4.12 4.18 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 24 S 7.73 4.99 0.00 4.03 4.09 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 25 Y 8.42 4.45 0.00 2.93 2.80 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 26 G 7.74 3.34 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 0.00 27 C 9.08 4.64 0.00 2.71 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 28 Y 8.09 4.54 0.00 3.09 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 29 C 8.24 4.56 0.00 3.43 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 30 G 8.42 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 0.00 0.00 0.00 0.00 31 W 8.78 4.64 0.00 3.69 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 32 G 8.58 4.34 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 0.00 33 G 8.16 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.00 4.57 0.00 1.80 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.41 7.81 35 G 9.39 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 36 T 7.66 4.45 4.20 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 1.15 0.00 0.00 37 P 0.00 4.28 0.00 1.93 1.98 0.00 3.50 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.03 0.00 38 K 9.98 3.81 0.00 0.79 0.74 0.00 1.57 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.01 0.21 7.81 39 D 7.40 4.55 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 3.98 1.39 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 41 T 8.06 4.13 4.15 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 0.00 0.00 0.00 0.91 0.00 0.00 42 D 9.06 4.55 0.00 2.95 2.87 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 43 R 8.51 4.06 0.00 2.08 2.01 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 44 C 8.19 4.28 0.00 3.24 2.83 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 0.00 0.00 0.00 45 C 8.32 4.25 0.00 3.35 3.42 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 0.00 46 F 8.11 3.69 0.00 2.68 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 47 V 8.04 3.17 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 0.82 0.00 0.00 1.00 0.00 0.00 48 H 8.34 3.89 0.00 3.07 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.93 4.31 0.00 2.94 2.53 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 50 C 7.55 4.18 0.00 2.81 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 51 C 7.85 4.31 0.00 3.05 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 52 Y 8.13 4.22 0.00 3.11 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 53 G 8.25 3.77 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 0.00 0.00 0.00 54 N 7.61 4.99 0.00 2.82 2.79 0.00 0.00 6.74 7.71 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 55 L 7.33 4.82 0.00 1.55 1.47 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.19 0.00 2.15 2.08 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 *59 D 7.86 4.73 0.00 2.82 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 *61 C 7.54 5.00 0.00 2.93 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 *67 N 8.00 5.55 0.00 2.73 2.77 0.00 0.00 7.61 8.03 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 68 P 0.00 3.90 0.00 1.32 0.57 0.00 3.40 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 69 Q 7.95 4.33 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 70 S 7.22 4.47 0.00 3.91 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 71 D 8.11 4.41 0.00 2.74 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 72 R 8.70 4.46 0.00 1.82 1.77 0.00 3.38 0.00 0.00 2.58 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 73 Y 7.87 4.99 0.00 3.00 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 74 K 8.65 4.94 0.00 1.78 1.78 0.00 1.64 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 75 Y 8.29 5.48 0.00 3.15 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 76 K 9.48 4.69 0.00 1.77 1.88 0.00 1.28 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.59 5.14 0.00 1.75 1.96 0.00 3.50 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 78 V 9.02 4.21 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 1.05 0.00 0.00 0.96 0.00 0.00 79 N 9.90 4.05 0.00 2.81 2.79 0.00 0.00 7.20 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 80 G 8.19 3.90 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 0.00 0.00 0.00 81 A 7.91 4.84 1.23 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 0.00 0.00 82 I 8.33 4.39 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.75 0.00 0.00 83 V 9.39 4.41 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 1.08 0.00 0.00 1.01 0.00 0.00 84 C 8.89 4.96 0.00 2.98 2.95 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 85 E 8.67 4.39 0.00 2.08 1.92 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 2.42 2.45 0.00 86 K 7.96 4.71 0.00 1.79 1.74 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.34 7.81 *88 G 8.20 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 0.00 0.00 0.00 0.00 89 T 8.42 4.26 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 90 S 8.50 4.03 0.00 3.89 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 91 C 8.10 4.18 0.00 2.99 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 92 E 8.16 3.85 0.00 2.07 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 0.00 2.52 2.41 0.00 93 N 8.10 4.26 0.00 2.94 2.79 0.00 0.00 6.95 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 94 R 7.91 3.87 0.00 1.79 1.90 0.00 3.08 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 95 I 7.90 3.55 1.79 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 1.18 0.71 0.90 0.00 0.00 96 C 7.36 3.09 0.00 1.91 2.81 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 97 E 7.86 3.80 0.00 2.08 1.89 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 2.47 2.41 0.00 98 C 7.85 4.17 0.00 3.25 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 99 D 8.07 3.89 0.00 2.90 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 0.00 100 K 8.38 3.84 0.00 1.64 1.75 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.94 3.88 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 0.00 102 A 7.82 3.49 1.16 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 0.00 0.00 0.00 103 A 7.94 3.89 1.41 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 0.00 104 I 7.77 3.62 1.86 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 1.39 0.96 0.89 0.00 0.00 105 C 7.90 4.46 0.00 2.92 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 0.00 106 F 7.83 4.53 0.00 3.15 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 0.00 107 R 8.12 4.14 0.00 2.09 2.23 0.00 2.80 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 108 Q 8.34 4.17 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 109 N 7.84 5.08 0.00 2.85 2.85 0.00 0.00 6.83 6.55 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 0.00 110 L 8.09 4.10 0.00 1.87 1.76 0.99 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.26 4.70 0.00 2.86 2.97 0.00 0.00 5.79 7.71 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 0.00 112 T 7.82 4.52 4.31 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 1.26 0.00 0.00 113 Y 8.23 3.89 0.00 3.05 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 0.00 114 S 8.49 4.74 0.00 3.86 3.65 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 0.00 115 K 8.78 3.95 0.00 1.80 1.86 0.00 1.99 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.42 7.81 116 K 7.85 3.54 0.00 1.43 1.38 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.39 1.13 7.81 117 Y 7.50 4.55 0.00 1.79 1.69 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 0.00 118 M 7.71 4.38 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 119 L 8.49 3.68 0.00 1.79 1.75 0.93 0.86 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 0.00 120 Y 7.56 4.09 0.00 3.10 3.02 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 0.00 121 P 0.00 4.18 0.00 1.82 1.93 0.00 2.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 122 D 8.74 4.23 0.00 2.74 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 *124 F 8.03 4.81 0.00 2.92 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 0.00 125 L 7.72 3.64 0.00 1.50 1.65 0.70 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.87 4.59 0.00 2.94 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 0.00 127 K 8.58 4.56 0.00 1.63 1.62 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.13 1.22 7.81 128 G 8.86 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 0.00 0.00 0.00 129 E 8.26 4.76 0.00 1.99 1.92 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 2.25 2.39 0.00 130 L 8.47 4.17 0.00 1.72 1.64 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 3.92 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.40 7.81 *133 C 8.63 5.40 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.