NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Y 4.6942 8.0033 121.0733 57.3668 39.6379 172.7038 3 I 4.8973 8.2420 115.7545 60.9592 40.5122 172.0794 4 E 4.7587 9.5984 126.4460 54.4877 33.8470 174.5099 5 V 4.6565 8.3270 123.3675 61.3515 33.0011 175.1981 6 V 3.9088 8.4158 128.8117 62.0520 32.0182 176.8044 7 K 4.6642 8.1071 126.1048 55.0126 32.6860 175.1887 8 T 4.4587 9.0197 116.2544 60.4808 69.0012 174.6736 9 N 4.6923 8.6368 124.2529 53.6451 37.7551 175.6402 10 K 4.2200 7.9967 117.7887 57.1594 32.6174 176.0906 11 A 4.8280 7.3860 120.5027 49.0533 22.2786 174.0634 12 P 4.3592 0.0000 0.0000 62.3356 31.9374 176.6423 13 E 3.8577 8.5943 122.7817 56.0836 30.1001 176.7745 14 A 3.9480 8.1362 127.8229 50.8707 17.4348 176.4451 15 I 4.1331 7.9819 122.6531 62.0293 38.3138 175.3580 16 G 3.8204 8.7499 111.4942 43.7579 0.0000 171.1054 17 P 4.6559 0.0000 0.0000 61.2097 30.2434 173.5414 18 Y 4.8979 7.2153 116.8619 56.8015 41.5357 174.1067 19 S 4.5430 8.2673 115.0265 56.3129 66.3951 174.2520 20 Q 4.3750 8.5973 122.3129 59.2423 29.4536 176.7955 21 A 5.0579 7.6950 116.9298 51.1481 22.7946 174.9528 22 I 5.0501 8.8292 120.4600 59.5108 40.7829 174.8239 23 V 4.8345 9.0510 126.7273 61.5579 33.9089 174.4168 24 T 4.8618 8.4183 122.4435 58.8061 70.1549 174.1330 25 G 3.9892 9.0373 121.2181 47.2801 0.0000 173.4407 26 S 4.5233 8.8956 120.4006 57.7111 63.2908 172.6768 27 F 5.1707 8.1718 120.1282 55.8821 41.9918 174.4878 28 V 4.8063 8.7219 122.4636 61.4192 34.2860 173.7101 29 Y 4.9365 9.2396 126.9123 56.5853 39.3225 175.4629 30 T 4.7748 8.5422 115.4881 60.9584 70.2205 175.1170 31 S 4.4154 8.9328 119.8153 58.3011 64.0142 174.5374 32 G 3.8956 8.5407 108.8539 46.2302 0.0000 173.3984 33 Q 4.6061 9.3007 127.4448 55.3146 30.0103 175.6700 34 I 5.0193 8.1652 115.6833 57.4230 41.1272 174.0401 35 P 4.6762 0.0000 0.0000 62.7876 29.8430 175.9203 36 I 4.5813 7.4833 119.9035 61.2285 38.9000 176.6626 37 N 4.5549 9.2308 127.1511 52.7397 39.0635 174.1570 38 P 4.3464 0.0000 0.0000 65.7515 31.7454 177.7664 39 Q 4.1541 8.8401 118.3321 57.9288 28.7538 176.8654 40 T 4.2886 8.0317 105.7576 60.5333 70.3984 175.4377 41 G 3.9106 8.5261 109.4595 45.8140 0.0000 172.7971 42 E 4.7848 7.6190 118.4989 53.7749 32.7261 175.7142 43 V 4.1556 8.2996 121.6575 63.3216 32.0969 176.3409 44 V 3.9442 8.1707 120.7163 61.2708 32.1512 176.1354 45 D 4.4500 8.5157 122.9195 55.1148 41.6252 175.7154 46 G 3.8660 8.6126 106.0526 44.3662 0.0000 173.4843 47 G 4.2564 8.5056 109.1247 45.1098 0.0000 175.5850 48 I 3.7037 8.4165 118.6230 63.9556 38.0992 178.0281 49 E 3.9291 8.0903 119.8184 59.4498 29.7083 178.5840 50 E 4.0378 8.1071 118.1202 59.4110 29.5381 179.2314 51 Q 4.0065 8.1817 118.0009 58.6615 28.7977 178.3004 52 A 3.9656 8.3189 122.2312 54.9862 18.3356 179.3095 53 K 3.7132 7.9215 117.9503 59.9453 32.2115 178.6178 54 Q 3.9230 7.9537 119.2884 59.0973 28.8905 178.3163 55 V 3.5714 7.9383 119.3310 66.2119 31.5787 178.1172 56 L 3.7968 7.7038 118.5157 57.3554 41.2344 179.3710 57 E 4.0081 8.2683 119.0437 59.4216 29.3368 179.0164 58 N 4.3212 8.4736 116.9145 56.1420 38.5495 177.0771 59 L 3.9246 8.2059 122.0243 58.0717 42.1181 178.5733 60 K 3.8008 8.3327 119.8879 60.0514 32.0784 178.3557 61 N 4.3545 8.2285 116.3478 56.0070 38.5391 177.6826 62 V 3.5959 8.1152 120.0499 66.0827 31.6136 178.1182 63 L 4.0362 8.2551 119.0377 57.9226 41.3745 179.4773 64 E 4.4117 8.8390 119.9852 58.8747 29.1945 179.2538 65 A 3.9799 7.9811 119.5515 54.7489 18.4940 178.8748 66 A 4.2094 7.6543 117.3161 52.9752 18.5563 178.4419 67 G 3.8622 8.1960 105.7393 45.4168 0.0000 173.7887 68 S 4.9347 7.6056 116.2213 58.2315 64.3670 172.4835 69 S 4.7971 8.0781 110.9191 57.7699 64.9715 176.4601 70 L 4.0061 8.3551 120.7378 58.1013 41.2475 178.9951 71 N 4.7554 8.1062 112.2388 53.6850 37.6095 175.2427 72 K 4.4595 8.0720 118.0374 56.0809 33.0042 175.7435 73 V 4.0968 7.6898 120.3835 63.1714 32.0066 175.9559 74 V 4.2592 8.6702 120.2139 62.3650 33.9194 175.9728 75 K 5.2401 7.7836 120.8858 55.1729 35.8456 174.9790 76 T 5.2219 9.0286 116.6327 60.1975 72.7956 172.6583 77 T 4.7998 8.6293 118.8791 61.7188 72.1941 173.0674 78 V 4.3381 8.5512 127.0499 61.2956 33.6673 174.1621 79 F 5.4379 9.1857 128.4680 55.9470 40.7575 175.2266 80 I 5.0977 8.6743 116.9991 58.9220 40.3613 176.5200 81 K 4.2283 8.9180 125.4344 59.1245 33.0408 175.5788 82 D 5.0849 7.5512 116.6849 51.9758 44.4093 174.3603 *84 D 4.6388 8.5548 117.6018 54.2020 42.7378 177.0838 85 S 4.6838 7.9772 113.5600 58.2999 63.1627 175.5663 86 F 4.1119 8.3023 126.0890 62.1139 39.0848 176.8552 87 A 3.7860 8.0749 119.6140 54.9878 18.3027 179.5905 88 K 3.8739 7.9266 116.5357 59.5174 32.1997 179.4655 89 V 3.5763 7.6209 118.4690 66.1545 31.3426 177.7866 90 N 4.1027 7.9130 116.4059 56.0747 38.0347 177.0103 91 E 3.8965 7.7718 119.6420 59.2393 30.2044 178.7415 92 V 3.8253 7.6725 117.8197 66.2387 31.6648 177.2059 93 Y 4.1716 8.6019 119.4830 60.9065 38.1623 178.0892 94 A 4.2968 8.7036 121.7797 55.0160 18.2070 179.6709 95 K 3.6512 8.0592 115.9549 58.9204 32.1336 177.4167 96 Y 4.0784 7.7875 114.5728 57.6239 38.7218 175.3260 97 F 5.0569 7.6169 117.4973 55.5158 42.8604 174.0385 98 S 4.6531 8.2965 115.6160 56.0243 66.0207 173.6947 99 E 3.5054 7.9089 121.1362 55.1859 29.7613 175.2964 100 P 4.2646 0.0000 0.0000 62.6084 31.9935 176.0683 101 Y 4.4316 8.2598 120.4798 56.9034 38.6542 173.7657 102 P 4.6302 0.0000 0.0000 62.5620 32.2481 176.3164 103 A 4.2689 8.6098 124.0893 52.6791 19.6308 176.5711 104 R 5.0114 8.2111 118.3321 55.1788 33.5303 174.2762 105 S 4.7878 8.6797 120.3865 56.8293 66.4732 172.7491 106 C 5.2521 8.5415 120.7061 58.0782 30.8240 173.8067 107 V 4.5219 8.3319 115.8070 59.4179 36.2515 174.1084 108 E 4.9424 8.6764 124.0433 55.5793 30.9826 175.5296 109 V 4.5684 8.5327 119.9021 59.5664 34.4119 176.4081 110 S 4.2511 8.7040 118.0321 61.4747 62.9574 174.8425 111 K 4.5249 7.3628 117.1577 55.3969 34.9851 173.9435 112 L 4.8504 7.9667 121.8992 51.6986 45.7936 174.3580 113 P 4.3459 0.0000 0.0000 64.4327 31.5739 176.9535 114 K 3.5306 9.4527 120.0872 57.2913 29.5393 175.8753 115 G 3.9188 8.1004 103.7304 46.4207 0.0000 175.2109 116 V 3.8673 7.5384 112.4939 61.4038 32.1645 176.1123 117 L 4.6250 8.9247 119.9477 55.2701 42.9336 176.3342 118 I 5.0455 7.3877 117.6167 59.9070 40.9469 173.1755 119 E 5.0837 9.3810 128.6584 54.8528 33.6395 173.9267 120 I 5.1718 8.9670 126.5259 59.6922 41.4304 174.2141 121 E 5.1849 9.0955 124.5343 54.6786 32.9754 174.7396 122 A 5.2297 8.7037 121.3215 50.4204 23.1737 175.0121 123 V 4.6730 9.1370 121.5148 61.2310 33.7361 174.6652 124 A 5.3560 9.0138 128.7524 50.2719 23.1711 174.2838 125 I 4.6520 8.4341 112.5010 58.9416 40.5389 175.9221 126 K 4.1692 8.4875 123.6596 56.6146 31.9626 175.6745 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 *2 Y 8.00 4.69 0.00 2.02 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 0.00 0.00 0.00 0.00 3 I 8.24 4.90 1.89 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 1.37 1.21 0.93 0.00 0.00 4 E 9.60 4.76 0.00 1.88 1.81 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 2.23 2.24 0.00 5 V 8.33 4.66 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 0.74 0.00 0.00 0.93 0.00 0.00 6 V 8.42 3.91 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 0.81 0.00 0.00 0.96 0.00 0.00 7 K 8.11 4.66 0.00 1.70 1.65 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.38 7.81 8 T 9.02 4.46 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 1.34 0.00 0.00 9 N 8.64 4.69 0.00 2.85 2.91 0.00 0.00 6.14 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 10 K 8.00 4.22 0.00 1.79 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.38 7.81 11 A 7.39 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 12 P 0.00 4.36 0.00 2.11 2.04 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 13 E 8.59 3.86 0.00 1.92 1.85 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 2.24 2.27 0.00 14 A 8.14 3.95 0.57 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 0.00 0.00 15 I 7.98 4.13 1.95 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 1.54 0.94 0.94 0.00 0.00 16 G 8.75 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 17 P 0.00 4.66 0.00 2.24 2.15 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 18 Y 7.22 4.90 0.00 3.22 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 19 S 8.27 4.54 0.00 3.86 3.74 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 20 Q 8.60 4.38 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 21 A 7.70 5.06 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 22 I 8.83 5.05 1.98 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 1.18 1.14 0.98 0.00 0.00 23 V 9.05 4.83 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 1.06 0.00 0.00 0.98 0.00 0.00 24 T 8.42 4.86 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 1.45 0.00 0.00 25 G 9.04 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 26 S 8.90 4.52 0.00 3.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 5.17 0.00 3.23 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 28 V 8.72 4.81 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 1.11 0.00 0.00 0.93 0.00 0.00 29 Y 9.24 4.94 0.00 2.98 2.96 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 30 T 8.54 4.77 4.33 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 1.32 0.00 0.00 31 S 8.93 4.42 0.00 4.06 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 32 G 8.54 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 33 Q 9.30 4.61 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 34 I 8.17 5.02 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.92 0.00 0.00 35 P 0.00 4.68 0.00 2.15 2.42 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 36 I 7.48 4.58 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.91 0.00 0.00 37 N 9.23 4.55 0.00 2.75 2.78 0.00 0.00 6.62 7.26 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 38 P 0.00 4.35 0.00 2.23 2.14 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 39 Q 8.84 4.15 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 40 T 8.03 4.29 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 1.22 0.00 0.00 41 G 8.53 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 42 E 7.62 4.78 0.00 1.93 1.85 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 2.42 2.37 0.00 43 V 8.30 4.16 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 0.78 0.00 0.00 0.94 0.00 0.00 44 V 8.17 3.94 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 0.74 0.00 0.00 1.05 0.00 0.00 45 D 8.52 4.45 0.00 2.67 2.60 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 0.00 0.00 0.00 0.00 46 G 8.61 3.87 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 0.00 0.00 0.00 47 G 8.51 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 0.00 0.00 0.00 48 I 8.42 3.70 1.89 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 1.55 1.49 0.92 0.00 0.00 49 E 8.09 3.93 0.00 2.09 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 2.40 2.42 0.00 50 E 8.11 4.04 0.00 2.24 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 0.00 2.52 2.47 0.00 51 Q 8.18 4.01 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 52 A 8.32 3.97 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 53 K 7.92 3.71 0.00 2.02 2.03 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.63 7.81 54 Q 7.95 3.92 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 55 V 7.94 3.57 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 1.10 0.00 0.00 1.03 0.00 0.00 56 L 7.70 3.80 0.00 0.82 0.13 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.27 4.01 0.00 2.12 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 2.60 2.55 0.00 58 N 8.47 4.32 0.00 2.87 3.06 0.00 0.00 6.69 6.28 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 59 L 8.21 3.92 0.00 1.84 1.78 0.99 0.56 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 60 K 8.33 3.80 0.00 1.93 2.06 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 61 N 8.23 4.35 0.00 2.80 2.86 0.00 0.00 6.73 7.51 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 62 V 8.12 3.60 2.24 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 1.11 0.00 0.00 1.04 0.00 0.00 63 L 8.26 4.04 0.00 1.88 1.72 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.84 4.41 0.00 2.07 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 0.00 2.43 2.29 0.00 65 A 7.98 3.98 1.38 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 0.00 0.00 66 A 7.65 4.21 1.40 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 0.00 0.00 0.00 67 G 8.20 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 0.00 0.00 0.00 68 S 7.61 4.93 0.00 3.81 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 69 S 8.08 4.80 0.00 3.96 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 70 L 8.36 4.01 0.00 1.62 1.65 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.11 4.76 0.00 2.80 2.91 0.00 0.00 5.84 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 72 K 8.07 4.46 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.31 7.81 73 V 7.69 4.10 2.37 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 0.82 0.00 0.00 1.20 0.00 0.00 74 V 8.67 4.26 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 0.75 0.00 0.00 1.03 0.00 0.00 75 K 7.78 5.24 0.00 1.84 1.60 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.50 7.81 76 T 9.03 5.22 4.37 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 1.14 0.00 0.00 77 T 8.63 4.80 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 0.41 0.00 0.00 78 V 8.55 4.34 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 0.99 0.00 0.00 0.89 0.00 0.00 79 F 9.19 5.44 0.00 3.01 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 80 I 8.67 5.10 1.94 0.00 0.00 1.00 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 1.35 0.99 0.00 0.00 81 K 8.92 4.23 0.00 1.81 1.90 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 82 D 7.55 5.08 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.64 0.00 3.04 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 0.00 85 S 7.98 4.68 0.00 4.10 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 86 F 8.30 4.11 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 87 A 8.07 3.79 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 88 K 7.93 3.87 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 89 V 7.62 3.58 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 0.99 0.00 0.00 0.98 0.00 0.00 90 N 7.91 4.10 0.00 2.45 2.59 0.00 0.00 6.70 8.13 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 91 E 7.77 3.90 0.00 1.96 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 0.00 2.34 2.32 0.00 92 V 7.67 3.83 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 1.06 0.00 0.00 1.04 0.00 0.00 93 Y 8.60 4.17 0.00 3.25 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 94 A 8.70 4.30 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 95 K 8.06 3.65 0.00 1.90 1.63 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.68 7.81 96 Y 7.79 4.08 0.00 2.52 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 0.00 0.00 0.00 97 F 7.62 5.06 0.00 3.13 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 98 S 8.30 4.65 0.00 3.79 3.73 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 99 E 7.91 3.51 0.00 1.77 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 2.14 2.11 0.00 100 P 0.00 4.26 0.00 2.16 2.04 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 101 Y 8.26 4.43 0.00 3.08 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 0.00 102 P 0.00 4.63 0.00 1.80 1.91 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.19 0.00 103 A 8.61 4.27 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 0.00 104 R 8.21 5.01 0.00 1.70 1.65 0.00 2.73 0.00 0.00 2.67 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 105 S 8.68 4.79 0.00 3.69 3.58 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 0.00 0.00 0.00 0.00 106 C 8.54 5.25 0.00 2.59 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 0.00 107 V 8.33 4.52 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 0.68 0.00 0.00 1.08 0.00 0.00 108 E 8.68 4.94 0.00 2.05 1.81 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 2.35 2.44 0.00 109 V 8.53 4.57 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 0.84 0.00 0.00 0.97 0.00 0.00 110 S 8.70 4.25 0.00 3.84 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 0.00 111 K 7.36 4.52 0.00 1.65 1.60 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.44 7.81 112 L 7.97 4.85 0.00 1.87 1.47 1.03 0.97 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 0.00 113 P 0.00 4.35 0.00 2.13 1.93 0.00 3.75 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 0.00 114 K 9.45 3.53 0.00 1.90 1.88 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.41 7.81 115 G 8.10 3.92 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 0.00 0.00 0.00 116 V 7.54 3.87 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 0.76 0.00 0.00 1.06 0.00 0.00 117 L 8.92 4.63 0.00 1.68 1.71 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.39 5.05 1.92 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 1.30 0.76 0.94 0.00 0.00 119 E 9.38 5.08 0.00 2.10 1.86 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 2.41 2.53 0.00 120 I 8.97 5.17 1.96 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 1.37 0.69 1.04 0.00 0.00 121 E 9.10 5.18 0.00 2.17 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 0.00 2.29 2.32 0.00 122 A 8.70 5.23 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 0.00 123 V 9.14 4.67 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 0.76 0.00 0.00 0.91 0.00 0.00 124 A 9.01 5.36 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 0.00 125 I 8.43 4.65 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.42 0.00 0.00 126 K 8.49 4.17 0.00 1.66 1.59 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.