NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4891 8.3049 120.3305 55.4339 33.4008 174.3590 2 M 4.5907 8.5675 122.8307 52.7554 35.0194 169.9086 3 V 4.3464 8.3107 121.9339 60.9063 34.1728 174.2132 4 W 4.7719 8.9426 135.0000 57.5291 31.1586 175.3270 5 T 4.1936 8.4062 123.8672 61.4086 66.9834 172.7668 6 P 4.4575 0.0000 0.0000 63.7549 32.2226 176.0548 7 V 4.1684 7.1811 118.4921 61.1394 33.1268 175.0773 8 N 4.6658 8.4252 122.7136 52.5811 37.9701 174.6470 9 N 4.9913 8.1791 124.6733 52.6488 39.8319 174.6480 10 K 3.8764 8.1859 115.1921 56.4473 32.7314 176.2566 11 M 4.8971 7.9482 120.4642 53.7824 35.4834 175.0001 12 F 4.9906 8.2743 116.8592 57.3882 41.3675 176.8852 13 E 3.5709 8.4139 121.2659 57.0964 27.4118 175.4927 14 T 3.8321 8.3585 122.7672 66.5464 68.9273 174.1887 15 F 4.5942 9.1077 124.4182 57.5419 36.5807 176.2315 16 S 4.5481 8.0971 114.3978 60.1713 63.0972 174.4500 17 Y 4.3755 8.2742 117.5286 58.2622 38.1675 175.1306 18 L 4.6737 7.6124 120.2498 52.0634 43.4990 174.5336 19 P 4.4271 0.0000 0.0000 62.1152 31.6250 174.6031 20 P 4.3465 0.0000 0.0000 62.6574 31.8047 176.3950 21 L 4.0311 8.3732 122.8804 54.6485 42.1945 177.9561 22 T 4.1978 8.2348 114.0961 61.2811 71.0562 175.2023 23 D 4.3441 8.5430 121.0258 57.5974 40.8949 178.7474 24 E 3.9689 8.1123 119.2957 59.2675 29.6921 178.7999 25 Q 3.9225 7.9093 117.8941 58.9065 28.7810 178.5885 26 I 3.7378 7.9932 120.7820 64.4188 37.1292 178.3837 27 A 4.0622 8.2309 121.3312 55.0214 18.1466 179.5884 28 A 3.9848 7.8586 119.0531 55.2645 18.4615 179.8500 29 Q 4.0961 8.1683 116.7305 59.1500 28.8111 179.1964 30 V 3.7284 8.1482 119.2645 66.1587 31.5312 177.5802 31 D 4.4309 8.3644 118.7359 57.6874 40.5417 178.2460 32 Y 4.2660 8.1339 119.7389 60.8512 38.8645 178.2611 33 I 3.7350 7.8810 120.5326 64.5457 37.3915 178.6487 34 V 3.5440 7.8745 118.7171 65.9388 31.1576 177.9467 35 A 3.9736 8.1573 119.7742 54.4521 18.2692 178.3573 36 N 4.1180 7.1911 112.6490 52.4179 38.7691 176.0908 37 G 3.7898 7.1931 107.9096 45.5713 0.0000 173.8051 38 W 4.9454 7.4015 118.6123 56.0606 30.6597 176.2837 39 I 4.4075 8.9378 123.9192 59.6183 37.6572 173.9054 40 P 4.8995 0.0000 0.0000 63.1300 32.8233 174.8559 41 C 5.0328 9.0842 121.0227 58.3667 35.6640 172.3313 42 L 5.3626 8.7574 123.1878 53.1338 44.7082 175.2144 43 E 5.6078 9.1639 121.2237 54.7673 33.9694 174.7019 44 F 5.5982 9.4997 117.1651 55.2139 42.3048 173.2903 45 A 4.4958 8.8132 121.5893 50.3906 21.4730 176.7917 46 T 4.4869 8.5761 111.4690 61.6974 70.9724 174.6299 47 D 4.8404 7.0419 120.8564 54.6095 41.1496 178.7843 48 H 4.2631 8.9262 127.6032 57.0022 28.5094 174.8045 49 G 2.9458 8.2257 112.6929 44.9841 0.0000 172.7002 50 F 5.1035 7.4112 116.9400 54.8588 42.7787 174.7633 51 V 4.2454 8.4035 122.4803 63.7180 32.2470 174.3750 52 Y 4.9658 8.6891 123.7983 56.4005 42.1752 173.5621 53 R 4.7223 8.7376 117.2005 55.1205 32.0504 174.7304 54 E 4.4377 9.8278 124.7961 57.9199 30.7349 176.9125 55 H 4.6909 8.2944 112.5075 56.9505 29.6860 174.2714 56 H 4.4883 7.5846 116.1791 55.4286 32.0552 172.5257 57 N 4.8958 7.8728 118.3374 52.4845 40.4253 175.0968 58 S 4.3400 7.5205 113.6258 56.6681 64.0956 171.7056 59 P 4.2582 0.0000 0.0000 64.4088 31.2534 177.1404 60 G 3.9106 8.7698 110.2251 45.7471 0.0000 171.9988 61 Y 4.3539 7.3393 120.7441 55.7676 40.0066 174.5593 62 Y 4.5699 7.0971 123.1396 56.3624 42.3083 174.5245 63 D 4.2961 8.5188 123.4474 54.4457 41.9256 177.7888 64 G 4.3121 8.6504 108.9218 45.7382 0.0000 174.9314 65 R 3.8971 7.6544 118.8048 58.9068 30.3757 176.8824 66 Y 4.4236 7.6986 114.5358 57.4094 38.6273 174.6989 67 W 5.0475 8.5929 123.4360 55.1038 32.8034 174.9753 68 T 4.1394 8.1071 117.5568 63.1770 69.0006 174.5660 69 M 4.5670 8.5569 126.6650 55.2133 33.2622 175.2233 70 W 4.8328 9.5380 135.0000 56.1369 31.3486 176.9524 71 K 3.5284 8.6364 129.2994 57.4226 30.3541 178.6725 72 L 4.9257 8.3507 124.5572 52.7782 45.4386 173.9121 73 P 4.3580 0.0000 0.0000 63.4030 32.0258 177.5833 74 M 4.3138 8.4330 123.2160 53.6568 30.4240 175.4516 75 F 4.4041 7.4715 118.9953 58.6899 40.0226 176.6632 76 G 4.0357 9.1110 112.4244 45.7962 0.0000 173.2213 77 C 4.2988 7.7698 120.6086 59.6152 31.7592 173.1357 78 R 4.5185 8.6581 124.2962 55.6303 31.1982 174.7511 79 D 4.8027 7.8934 119.0800 51.4687 42.0036 174.3070 80 P 4.3104 0.0000 0.0000 66.4955 30.8286 177.9462 81 M 4.0725 8.1438 117.6527 58.2995 31.8670 178.6803 82 Q 4.0116 8.1362 117.6132 58.9120 28.8972 179.0620 83 V 3.5896 7.7798 118.5707 66.2055 31.5481 177.8031 84 L 4.0423 8.0322 118.5693 58.0036 41.3533 179.8593 85 R 3.9720 8.3966 118.2894 59.3045 29.9230 178.9792 86 E 4.1107 8.2551 118.4770 59.2559 29.4364 179.3784 87 I 3.5414 7.7707 120.1142 64.2320 37.1611 178.5992 88 V 3.4703 7.5542 118.7247 65.8387 31.4024 177.8012 89 A 3.9462 8.0570 120.6170 55.3584 18.2900 179.1871 90 C 2.0000 7.4931 117.3089 62.0697 31.3280 175.9250 91 T 3.8034 7.5449 111.0446 64.1560 68.0831 176.5602 92 K 3.8249 7.6173 122.0911 59.2619 32.3206 178.3890 93 A 3.9671 7.6010 119.9356 53.5219 19.9345 177.6831 94 F 4.7262 7.6126 115.5926 55.3536 39.3895 173.7799 95 P 4.6219 0.0000 0.0000 64.0061 31.9664 177.7488 96 D 4.6581 8.0331 117.1990 53.9561 41.2414 175.4535 97 A 4.6841 7.4433 121.2029 50.3824 21.3281 177.1709 98 Y 4.2335 8.2079 117.7103 57.9533 39.2013 175.3914 99 V 5.2189 9.1140 124.0351 61.0924 35.2426 174.3439 100 R 5.0049 9.3517 123.1883 54.3256 33.2263 173.5906 101 L 4.7518 8.0452 123.7501 54.0529 43.6348 175.7276 102 V 4.8298 8.6606 118.4877 59.4197 36.0585 174.2809 103 A 4.9759 8.1804 122.4064 50.2826 22.8075 175.1134 104 F 5.2185 9.0429 118.9482 55.6814 42.8466 174.0067 105 D 5.3453 8.7366 122.3556 52.7309 42.3482 176.6729 106 N 4.7012 9.1363 123.1317 54.4620 38.4235 176.6237 107 Q 4.1333 8.4583 118.4883 59.1788 28.8358 177.6920 108 K 4.0638 8.2291 114.0248 56.7920 32.9303 176.7341 109 Q 3.3944 7.9634 117.5918 55.9338 27.0219 172.5927 110 V 4.4937 7.8098 117.2919 59.9006 34.9923 174.2234 111 Q 4.4445 8.7142 123.4001 56.4710 29.3391 175.4834 112 I 4.2661 7.8225 124.2591 60.9727 39.8110 174.3533 113 M 4.5641 6.7154 117.2418 54.7910 34.2937 173.6638 114 G 4.7946 8.3531 105.3226 47.1375 0.0000 172.4721 115 F 5.0632 7.1014 115.8784 55.1784 41.1854 172.9169 116 L 4.6183 8.8395 122.8364 55.6345 42.0500 176.7900 117 V 4.5104 8.9204 118.2401 61.7493 33.9511 175.8102 118 Q 4.6792 7.8948 120.9915 54.4944 32.3867 173.3636 119 R 4.6429 8.2435 121.2765 53.1931 32.6128 173.4987 120 P 4.1499 0.0000 0.0000 62.6596 32.2763 176.9169 121 K 4.0578 8.3220 122.3071 55.3214 31.4499 176.4040 *127 Q 4.0398 8.2736 122.2480 54.5994 30.1926 173.7816 128 P 4.1625 0.0000 0.0000 62.5072 31.9986 177.0276 129 A 4.1040 8.6976 124.3172 54.4115 18.3240 177.9433 130 N 4.8758 7.9729 110.1705 52.7838 38.9180 175.2477 131 K 4.3470 7.7211 117.5064 56.6963 32.2790 177.7331 132 R 3.7755 7.5924 120.1320 57.6430 30.8771 176.1989 133 S 5.7141 7.6383 111.8087 55.5273 66.4047 174.6258 134 V 4.1024 8.0473 112.9000 61.8146 32.1565 175.1268 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 M 8.30 4.49 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.57 4.59 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 3 V 8.31 4.35 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 1.02 0.00 0.00 0.97 0.00 0.00 4 W 8.94 4.77 0.00 3.47 3.05 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 5 T 8.41 4.19 4.10 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 1.10 0.00 0.00 6 P 0.00 4.46 0.00 2.22 2.18 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 7 V 7.18 4.17 2.03 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 0.78 0.00 0.00 0.90 0.00 0.00 8 N 8.43 4.67 0.00 2.73 2.78 0.00 0.00 6.65 8.00 0.00 0.00 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 8.18 4.99 0.00 2.66 2.65 0.00 0.00 7.26 6.68 0.00 0.00 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 K 8.19 3.88 0.00 1.80 1.28 0.00 0.61 0.00 0.00 1.03 0.00 0.00 2.34 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.19 1.14 7.81 11 M 7.95 4.90 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 12 F 8.27 4.99 0.00 3.16 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 13 E 8.41 3.57 0.00 2.16 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 14 T 8.36 3.83 4.14 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 0.00 0.00 0.00 0.21 0.00 0.00 15 F 9.11 4.59 0.00 3.32 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 16 S 8.10 4.55 0.00 4.15 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 0.00 17 Y 8.27 4.38 0.00 3.04 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 18 L 7.61 4.67 0.00 1.86 1.61 0.83 0.88 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 19 P 0.00 4.43 0.00 2.17 2.07 0.00 3.80 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 1.98 2.00 0.00 20 P 0.00 4.35 0.00 2.07 2.07 0.00 3.69 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 2.04 2.15 0.00 21 L 8.37 4.03 0.00 1.64 1.53 0.46 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.23 4.20 4.22 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 1.19 0.00 0.00 23 D 8.54 4.34 0.00 2.71 2.77 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 24 E 8.11 3.97 0.00 2.02 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 2.35 2.39 0.00 25 Q 7.91 3.92 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 7.99 3.74 2.06 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 1.68 0.86 1.09 0.00 0.00 27 A 8.23 4.06 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 28 A 7.86 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 4.10 0.00 2.43 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.35 1.88 0.00 30 V 8.15 3.73 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 1.10 0.00 0.00 1.14 0.00 0.00 31 D 8.36 4.43 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.13 4.27 0.00 3.05 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.73 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.28 1.05 0.00 0.00 34 V 7.87 3.54 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 1.07 0.00 0.00 1.00 0.00 0.00 35 A 8.16 3.97 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 36 N 7.19 4.12 0.00 1.44 1.42 0.00 0.00 7.05 8.60 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 37 G 7.19 3.79 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 0.00 0.00 0.00 38 W 7.40 4.95 0.00 3.34 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 39 I 8.94 4.41 2.09 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.70 0.00 0.00 40 P 0.00 4.90 0.00 2.13 2.20 0.00 3.89 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 41 C 9.08 5.03 0.00 3.07 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 42 L 8.76 5.36 0.00 1.87 1.63 0.92 0.83 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 43 E 9.16 5.61 0.00 2.09 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 2.32 0.00 44 F 9.50 5.60 0.00 3.02 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 45 A 8.81 4.50 -0.28 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 46 T 8.58 4.49 4.27 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 1.25 0.00 0.00 47 D 7.04 4.84 0.00 2.57 1.57 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 0.00 0.00 0.00 0.00 48 H 8.93 4.26 0.00 3.09 3.21 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.23 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 0.00 0.00 0.00 50 F 7.41 5.10 0.00 3.12 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 51 V 8.40 4.25 2.03 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 0.63 0.00 0.00 0.80 0.00 0.00 52 Y 8.69 4.97 0.00 3.09 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 53 R 8.74 4.72 0.00 1.75 1.94 0.00 3.27 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 54 E 9.83 4.44 0.00 2.17 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 2.02 2.27 0.00 55 H 8.29 4.69 0.00 3.27 3.37 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.58 4.49 0.00 2.29 1.62 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.87 4.90 0.00 2.56 2.68 0.00 0.00 6.98 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 58 S 7.52 4.34 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 59 P 0.00 4.26 0.00 2.05 2.05 0.00 3.72 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 2.02 2.08 0.00 60 G 8.77 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 61 Y 7.34 4.35 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 62 Y 7.10 4.57 0.00 2.76 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 63 D 8.52 4.30 0.00 1.58 2.01 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 64 G 8.65 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 0.00 0.00 0.00 0.00 65 R 7.65 3.90 0.00 1.46 1.62 0.00 3.03 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 66 Y 7.70 4.42 0.00 3.04 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 67 W 8.59 5.05 0.00 3.11 3.15 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 0.00 68 T 8.11 4.14 2.78 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 0.95 0.00 0.00 69 M 8.56 4.57 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 70 W 9.54 4.83 0.00 3.72 3.35 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 71 K 8.64 3.53 0.00 1.65 0.74 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.86 0.21 7.81 72 L 8.35 4.93 0.00 1.60 1.60 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.36 0.00 0.72 1.83 0.00 3.71 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 1.97 2.15 0.00 74 M 8.43 4.31 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 75 F 7.47 4.40 0.00 3.12 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 76 G 9.11 4.04 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 0.00 0.00 0.00 77 C 7.77 4.30 0.00 2.96 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 78 R 8.66 4.52 0.00 1.81 1.87 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 79 D 7.89 4.80 0.00 2.66 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 80 P 0.00 4.31 0.00 2.33 2.35 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 81 M 8.14 4.07 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 82 Q 8.14 4.01 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 83 V 7.78 3.59 2.27 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 1.12 0.00 0.00 0.97 0.00 0.00 84 L 8.03 4.04 0.00 1.92 1.73 0.95 0.79 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 85 R 8.40 3.97 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 86 E 8.26 4.11 0.00 2.25 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 0.00 2.58 2.68 0.00 87 I 7.77 3.54 2.02 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 1.37 0.95 0.87 0.00 0.00 88 V 7.55 3.47 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 0.97 0.00 0.00 0.97 0.00 0.00 89 A 8.06 3.95 1.55 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 0.00 0.00 0.00 90 C 7.49 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 91 T 7.54 3.80 4.27 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 1.15 0.00 0.00 92 K 7.62 3.82 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 93 A 7.60 3.97 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 94 F 7.61 4.73 0.00 2.80 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 95 P 0.00 4.62 0.00 2.11 2.10 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 96 D 8.03 4.66 0.00 2.65 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 97 A 7.44 4.68 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 98 Y 8.21 4.23 0.00 2.17 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 99 V 9.11 5.22 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 0.81 0.00 0.00 0.95 0.00 0.00 100 R 9.35 5.00 0.00 1.85 1.99 0.00 2.32 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.41 0.00 101 L 8.05 4.75 0.00 1.55 0.80 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.66 4.83 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.60 0.00 0.00 103 A 8.18 4.98 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 0.00 104 F 9.04 5.22 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.74 5.35 0.00 2.33 2.41 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 0.00 106 N 9.14 4.70 0.00 2.93 3.05 0.00 0.00 6.32 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 0.00 107 Q 8.46 4.13 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 108 K 8.23 4.06 0.00 1.75 1.86 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 109 Q 7.96 3.39 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 110 V 7.81 4.49 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 0.56 0.00 0.00 0.90 0.00 0.00 111 Q 8.71 4.44 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 112 I 7.82 4.27 1.22 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 -0.51 0.00 0.00 113 M 6.72 4.56 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 114 G 8.35 4.79 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 0.00 0.00 0.00 115 F 7.10 5.06 0.00 3.27 3.28 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 0.00 116 L 8.84 4.62 0.00 1.77 1.71 1.11 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.92 4.51 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 0.73 0.00 0.00 0.93 0.00 0.00 118 Q 7.89 4.68 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 119 R 8.24 4.64 0.00 1.53 1.64 0.00 3.15 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 120 P 0.00 4.15 0.00 1.70 1.89 0.00 2.58 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.55 0.00 121 K 8.32 4.06 0.00 1.69 1.75 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.39 7.81 *127 Q 8.27 4.04 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 128 P 0.00 4.16 0.00 2.14 2.00 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 129 A 8.70 4.10 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 0.00 130 N 7.97 4.88 0.00 2.81 2.91 0.00 0.00 6.04 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 0.00 131 K 7.72 4.35 0.00 1.74 1.79 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 132 R 7.59 3.78 0.00 1.23 0.66 0.00 2.88 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.56 0.00 133 S 7.64 5.71 0.00 3.89 3.98 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 0.00 134 V 8.05 4.10 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 0.62 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.