NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2925 8.1727 122.0667 56.3569 34.2030 173.8568 2 V 4.7390 8.2745 126.2009 60.9362 32.5305 174.5312 3 F 4.2632 9.5996 128.1678 57.0491 40.2825 175.6696 4 G 3.8694 8.4845 108.1974 45.9484 0.0000 174.6502 5 R 3.3459 8.9808 120.2953 59.7107 30.0462 178.6271 6 C 4.1461 8.0337 115.7068 62.6324 28.2307 175.6278 7 E 3.9485 8.1126 120.5006 59.2178 29.3211 178.4544 8 L 3.7646 8.1793 120.2406 57.9059 42.0017 178.6969 9 A 3.9217 8.0819 120.5128 55.2501 18.3628 179.3690 10 A 3.9241 8.1591 119.0175 55.3541 18.4915 179.5965 11 A 4.1153 8.0273 118.7070 55.0439 18.7919 179.7838 12 M 3.9279 8.1419 117.6476 58.0994 32.0066 178.7958 13 K 3.9035 8.3890 120.5757 59.4341 32.2527 179.0202 14 R 4.0365 7.6556 114.0539 58.3895 29.2703 177.2200 15 H 4.8140 7.2968 115.6928 54.9691 29.7748 174.7268 16 G 3.9701 7.8530 106.9452 46.5919 0.0000 176.0200 17 L 3.4624 7.4469 121.9600 56.5687 41.7356 176.7206 18 D 4.5576 8.0342 117.8855 55.4444 41.0940 174.6449 19 N 4.3867 10.1053 125.1027 54.4605 38.1776 172.6221 20 Y 4.1100 8.0568 118.3009 58.2615 38.9441 176.0765 21 R 3.6003 9.2453 124.5456 57.0630 27.7957 176.4098 22 G 3.6933 8.0338 104.1900 46.2986 0.0000 173.5083 23 Y 4.7211 7.8590 118.0232 55.2778 39.7142 175.8610 24 S 4.7579 8.8245 119.9737 58.3583 63.8536 174.8205 25 L 4.2773 9.3913 125.4415 58.9464 41.8487 179.8582 26 G 3.9957 8.5649 105.0103 47.9928 0.0000 175.1454 27 N 4.5422 8.6658 119.0423 55.7950 38.5027 177.5684 28 W 3.7104 8.3184 120.7441 59.4487 29.2198 178.5443 29 V 3.4991 7.8968 117.7265 66.3535 30.7448 178.1793 30 C 2.8187 7.7435 117.4285 59.2645 38.3576 175.3197 31 A 3.9369 7.6777 121.9195 55.2345 17.8533 179.5477 32 A 4.0779 7.8736 120.5180 54.2368 18.4584 179.3851 33 K 2.8285 8.0860 118.5256 59.8207 31.8327 178.6780 34 F 4.2299 7.3442 115.5090 59.5245 39.0024 177.8174 35 E 4.3075 7.9487 118.0542 58.6518 29.8069 177.7740 36 S 4.5250 7.8732 109.7389 56.6129 64.5154 173.1188 37 N 3.8608 8.5810 118.2242 55.3892 37.5124 173.8977 38 F 3.9950 7.6557 111.1155 58.2542 37.4376 174.7086 39 N 5.1631 8.0600 120.8132 52.4757 38.6775 175.9638 40 T 4.0581 9.2779 117.7358 63.8699 68.9503 175.2313 41 Q 4.6789 8.3306 119.6674 55.4124 29.9875 175.9162 42 A 4.2040 7.6598 122.5565 53.2554 19.5121 176.9247 43 T 5.2871 8.1102 115.3297 62.5199 73.1476 173.3113 44 N 4.7507 8.2451 123.0734 52.0862 42.0996 173.4880 45 R 4.2628 8.6141 126.4170 56.4413 30.6465 176.5255 46 N 4.9381 9.1645 122.3198 52.2260 40.2891 176.6026 47 T 3.9572 8.5308 110.5555 64.0891 69.2309 175.1053 48 D 4.4869 7.9584 119.9113 53.5317 39.8826 176.8657 49 G 3.9667 7.8246 109.1301 45.2803 0.0000 174.0417 50 S 4.6430 7.9727 114.5536 58.3269 65.2603 173.0824 51 T 5.0520 8.7052 114.9028 62.1993 73.2087 173.0091 52 D 5.4497 8.7768 123.9824 53.2919 43.3486 175.2866 53 Y 4.9693 8.7188 119.3213 57.4890 42.3628 177.2281 54 G 4.2371 8.9943 110.8712 45.1971 0.0000 173.9690 55 I 4.3047 8.1423 109.8773 62.6785 37.6617 177.1568 56 L 4.4623 7.8902 118.3313 53.4600 42.4647 176.2199 57 Q 3.4526 7.8044 116.9220 57.0066 26.8122 174.3633 58 I 4.3766 8.0596 119.1183 60.9632 38.7247 177.7926 59 N 6.1056 9.4840 124.6440 51.6911 39.4152 175.5235 60 S 4.8863 8.7744 112.4183 58.8711 63.8567 175.5315 61 R 3.7052 8.3772 121.9425 59.3019 30.2882 177.8318 62 W 4.1230 8.3666 117.6617 57.2883 30.6994 177.8476 63 W 4.9792 8.2657 118.2524 57.5704 31.3615 174.8920 64 C 6.0636 8.3123 111.9835 52.5286 43.9180 172.4190 65 N 5.0738 8.9211 118.3183 51.8946 40.2080 174.4889 66 D 4.6335 8.8739 124.3512 52.4864 40.1382 177.0936 67 G 3.9577 8.4788 107.2076 46.2792 0.0000 174.2363 68 R 4.6546 8.4291 113.5131 55.8004 30.6455 175.8833 69 T 4.3788 7.6160 116.7917 60.5345 68.6997 169.6393 70 P 4.2005 0.0000 0.0000 64.6266 31.6620 176.7128 71 G 3.8332 8.9168 111.4037 44.9021 0.0000 173.0125 72 S 4.0567 7.4746 114.4440 58.2407 63.0352 174.6324 73 R 4.0817 7.9736 125.3893 55.2461 29.5662 176.9131 74 N 4.7258 8.2730 126.5805 51.9302 37.4690 175.3746 75 L 4.0557 8.2106 121.2719 58.1908 42.3816 178.5017 76 C 4.5691 8.7558 113.4091 56.7457 40.6261 172.6741 77 N 4.1464 8.5177 118.2414 54.3411 37.6221 173.3629 78 I 4.7485 7.4786 107.8343 58.1525 41.4750 172.6321 79 P 4.8213 0.0000 0.0000 62.3963 32.0854 178.6160 80 C 4.1050 9.1379 120.6282 59.7907 40.6645 176.6770 81 S 3.8932 7.9075 115.1398 61.0747 62.2883 176.2385 82 A 4.0217 7.8943 124.7078 54.9017 17.9879 178.9844 83 L 4.1958 7.9259 116.2841 56.3092 41.5654 178.1969 84 L 5.4215 7.4843 119.0475 53.0160 42.7713 176.6574 85 S 4.2813 7.1597 114.3224 58.2598 62.7655 174.3274 86 S 4.4315 8.6259 119.0793 59.5466 63.2279 173.2496 87 D 4.8955 8.0463 122.2548 53.0399 42.2031 176.5345 88 I 3.9945 8.2141 119.3392 61.8973 38.0665 177.5727 89 T 3.4632 8.0492 118.6514 67.0889 68.3417 175.4697 90 A 3.9464 7.9432 121.4553 55.5162 18.3609 179.7384 91 S 4.0011 7.8686 112.8782 61.7036 63.0164 176.8666 92 V 3.2898 8.0580 121.2310 66.0000 31.2936 177.8566 93 N 4.1879 8.3431 116.6290 56.3761 38.3441 176.6454 94 C 4.2806 8.2000 119.7287 59.1514 41.9152 175.4399 95 A 4.0828 7.9999 122.6162 55.2835 17.8109 179.6377 96 K 3.5055 7.4616 115.4467 59.5667 32.0533 179.1590 97 K 4.1811 7.7115 118.7305 59.2034 32.1538 178.8387 98 I 3.3846 7.2278 119.6422 62.8745 37.4622 176.6521 99 V 4.0557 8.0615 118.9305 61.6225 33.2092 174.5921 *104 G 3.9641 8.3411 113.4263 45.7871 0.0000 173.8688 105 M 4.0338 5.9069 123.6892 56.7609 32.5970 178.3412 106 N 4.7582 8.2726 115.4538 55.6701 38.9943 175.8385 107 A 3.8140 7.6016 120.6278 54.5793 18.4981 178.2074 108 W 4.4728 8.1020 117.7099 55.4294 28.7937 177.0784 109 V 3.6269 8.4030 124.2848 66.0908 31.0696 177.4381 110 A 3.9573 8.0910 119.8760 54.5536 18.3176 179.2636 111 W 3.9352 8.2853 126.6778 60.4996 30.6283 177.8092 112 R 3.0791 8.1514 117.5789 59.5161 29.5644 177.8260 113 N 4.3911 7.9266 114.4106 55.0096 38.7922 176.7294 114 R 4.2848 7.5191 116.7401 55.8425 31.8093 175.8967 115 C 4.7274 7.2398 114.6792 57.8443 42.5054 174.1554 116 K 3.7527 6.7291 120.7059 57.1639 31.8072 176.5141 117 G 3.7465 8.8541 115.2557 47.0302 0.0000 172.3169 118 T 4.6797 7.3171 109.2883 59.1204 72.4917 174.2435 119 D 4.6982 8.2876 119.3304 53.6043 37.8340 177.0654 120 V 4.2479 7.7083 116.3099 64.1382 32.3953 177.5754 121 Q 4.3429 8.2665 116.4629 57.5195 28.6369 177.7557 122 A 4.0276 8.4614 123.3537 54.9089 18.1726 179.1564 123 W 4.3581 8.2074 115.3461 58.6020 28.9385 177.4129 124 I 4.3501 7.6687 119.2517 60.7905 37.8368 175.6950 125 R 4.0010 7.2423 120.5725 57.7028 30.2795 176.4108 126 G 3.9296 9.1189 112.5714 45.7755 0.0000 173.0050 127 C 4.3623 7.4423 122.2470 59.5736 28.3711 173.7185 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 K 8.17 4.29 0.00 1.88 1.88 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.31 7.81 2 V 8.27 4.74 2.14 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 0.95 0.00 0.00 0.99 0.00 0.00 3 F 9.60 4.26 0.00 2.90 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 4 G 8.48 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 5 R 8.98 3.35 0.00 2.17 2.05 0.00 3.59 0.00 0.00 3.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 6 C 8.03 4.15 0.00 3.01 2.97 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 7 E 8.11 3.95 0.00 2.03 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 2.40 2.33 0.00 8 L 8.18 3.76 0.00 1.58 1.38 0.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.08 3.92 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 10 A 8.16 3.92 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 11 A 8.03 4.12 1.46 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 12 M 8.14 3.93 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 13 K 8.39 3.90 0.00 1.88 1.91 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 R 7.66 4.04 0.00 1.93 2.16 0.00 3.03 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 15 H 7.30 4.81 0.00 3.11 3.16 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.85 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 17 L 7.45 3.46 0.00 1.44 0.59 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.03 4.56 0.00 2.67 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 19 N 10.11 4.39 0.00 3.04 2.87 0.00 0.00 6.42 5.82 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 20 Y 8.06 4.11 0.00 3.30 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 21 R 9.25 3.60 0.00 2.10 2.04 0.00 3.33 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.00 22 G 8.03 3.69 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 0.00 0.00 0.00 23 Y 7.86 4.72 0.00 3.16 2.62 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 24 S 8.82 4.76 0.00 4.23 4.12 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 25 L 9.39 4.28 0.00 2.02 1.86 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.56 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 0.00 0.00 0.00 27 N 8.67 4.54 0.00 2.58 2.36 0.00 0.00 6.85 7.50 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 28 W 8.32 3.71 0.00 3.35 3.01 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 29 V 7.90 3.50 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 1.14 0.00 0.00 1.00 0.00 0.00 30 C 7.74 2.82 0.00 2.56 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 31 A 7.68 3.94 0.90 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 32 A 7.87 4.08 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 33 K 8.09 2.83 0.00 1.36 1.18 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.93 0.57 7.81 34 F 7.34 4.23 0.00 3.03 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 35 E 7.95 4.31 0.00 2.14 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 0.00 2.57 2.67 0.00 36 S 7.87 4.53 0.00 4.12 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 37 N 8.58 3.86 0.00 2.66 2.72 0.00 0.00 7.16 7.05 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 38 F 7.66 4.00 0.00 3.44 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 39 N 8.06 5.16 0.00 2.86 2.90 0.00 0.00 6.96 6.73 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 40 T 9.28 4.06 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 1.50 0.00 0.00 41 Q 8.33 4.68 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 42 A 7.66 4.20 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 43 T 8.11 5.29 4.21 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 1.10 0.00 0.00 44 N 8.25 4.75 0.00 2.76 2.73 0.00 0.00 7.13 7.65 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 45 R 8.61 4.26 0.00 1.71 1.84 0.00 3.41 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 46 N 9.16 4.94 0.00 2.84 2.73 0.00 0.00 6.36 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.53 3.96 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 48 D 7.96 4.49 0.00 2.77 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 49 G 7.82 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 50 S 7.97 4.64 0.00 4.04 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 51 T 8.71 5.05 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 0.54 0.00 0.00 52 D 8.78 5.45 0.00 2.55 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 53 Y 8.72 4.97 0.00 2.89 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 54 G 8.99 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 0.00 0.00 0.00 0.00 55 I 8.14 4.30 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 0.85 0.00 0.00 56 L 7.89 4.46 0.00 1.70 1.78 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.80 3.45 0.00 2.50 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 58 I 8.06 4.38 2.03 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 1.06 0.00 0.00 59 N 9.48 6.11 0.00 3.12 3.22 0.00 0.00 6.44 7.64 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 60 S 8.77 4.89 0.00 4.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 3.71 0.00 1.74 1.89 0.00 2.83 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.60 0.00 62 W 8.37 4.12 0.00 2.11 1.74 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 63 W 8.27 4.98 0.00 3.62 3.26 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 64 C 8.31 6.06 0.00 3.10 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 65 N 8.92 5.07 0.00 2.84 2.68 0.00 0.00 7.21 8.07 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 66 D 8.87 4.63 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 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 68 R 8.43 4.65 0.00 1.91 1.96 0.00 3.06 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 69 T 7.62 4.38 4.23 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 1.21 0.00 0.00 70 P 0.00 4.20 0.00 1.99 2.01 0.00 3.64 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 2.01 2.10 0.00 71 G 8.92 3.83 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 0.00 0.00 0.00 72 S 7.47 4.06 0.00 3.95 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 73 R 7.97 4.08 0.00 1.96 1.92 0.00 3.29 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 74 N 8.27 4.73 0.00 2.80 2.72 0.00 0.00 7.09 6.66 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 75 L 8.21 4.06 0.00 1.88 1.94 0.43 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.76 4.57 0.00 3.30 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 77 N 8.52 4.15 0.00 2.80 2.87 0.00 0.00 6.87 7.94 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 78 I 7.48 4.75 1.87 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 1.60 0.77 0.98 0.00 0.00 79 P 0.00 4.82 0.00 2.15 1.95 0.00 3.58 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 2.08 2.08 0.00 80 C 9.14 4.10 0.00 2.11 1.48 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 0.00 0.00 0.00 0.00 81 S 7.91 3.89 0.00 4.02 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 82 A 7.89 4.02 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 83 L 7.93 4.20 0.00 2.08 1.82 0.95 0.68 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 84 L 7.48 5.42 0.00 1.83 1.77 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.16 4.28 0.00 3.79 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 86 S 8.63 4.43 0.00 4.06 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 87 D 8.05 4.90 0.00 2.69 2.62 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 88 I 8.21 3.99 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.41 0.46 0.00 0.00 89 T 8.05 3.46 4.17 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 1.15 0.00 0.00 90 A 7.94 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 91 S 7.87 4.00 0.00 3.90 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 92 V 8.06 3.29 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 0.65 0.00 0.00 0.69 0.00 0.00 93 N 8.34 4.19 0.00 2.67 2.78 0.00 0.00 6.67 7.21 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 94 C 8.20 4.28 0.00 3.11 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 95 A 8.00 4.08 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 96 K 7.46 3.51 0.00 1.65 1.48 0.00 1.29 0.00 0.00 0.87 0.00 0.00 2.27 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 1.10 7.81 97 K 7.71 4.18 0.00 1.81 2.06 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.37 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.73 7.81 98 I 7.23 3.38 1.65 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 -0.30 -0.30 0.16 0.00 0.00 99 V 8.06 4.06 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 0.98 0.00 0.00 1.24 0.00 0.00 *104 G 8.34 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 0.00 105 M 5.91 4.03 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.02 0.00 106 N 8.27 4.76 0.00 2.81 2.99 0.00 0.00 6.91 7.35 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 0.00 107 A 7.60 3.81 0.63 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 0.00 108 W 8.10 4.47 0.00 3.63 3.14 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 0.00 109 V 8.40 3.63 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 1.09 0.00 0.00 0.95 0.00 0.00 110 A 8.09 3.96 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 0.00 111 W 8.29 3.94 0.00 3.32 3.45 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 0.00 112 R 8.15 3.08 0.00 2.10 1.99 0.00 3.52 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 113 N 7.93 4.39 0.00 2.59 2.72 0.00 0.00 6.95 7.28 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 0.00 114 R 7.52 4.28 0.00 0.75 1.39 0.00 3.03 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.00 115 C 7.24 4.73 0.00 2.51 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 0.00 116 K 6.73 3.75 0.00 0.79 0.79 0.00 1.31 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.18 7.81 117 G 8.85 3.75 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 0.00 0.00 0.00 118 T 7.32 4.68 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 1.25 0.00 0.00 119 D 8.29 4.70 0.00 2.79 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 0.00 120 V 7.71 4.25 2.31 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 1.00 0.00 0.00 1.09 0.00 0.00 121 Q 8.27 4.34 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 122 A 8.46 4.03 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 0.00 123 W 8.21 4.36 0.00 3.50 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 0.00 124 I 7.67 4.35 2.15 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 1.61 1.30 0.97 0.00 0.00 125 R 7.24 4.00 0.00 1.90 1.85 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 126 G 9.12 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 0.00 127 C 7.44 4.36 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.