NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3967 8.0176 110.9443 60.8207 70.2473 174.4285 6 P 4.2953 0.0000 0.0000 64.7274 31.4080 177.5631 7 F 4.5067 9.0893 121.6141 61.2137 39.6477 177.9075 8 D 4.1559 7.7922 118.3235 56.9867 40.5731 178.4151 9 A 3.9484 7.5066 121.4915 55.0745 18.2492 179.1613 10 L 3.8939 7.9924 117.6888 58.1689 42.2394 178.6668 11 W 4.2365 8.2050 126.8922 60.7512 31.0005 177.5973 12 Q 4.0618 8.4472 118.1700 58.7278 27.8093 179.3274 13 R 3.8749 7.7907 116.0935 57.0252 30.5106 177.5595 *15 L 4.0421 7.9768 120.9795 54.6070 43.5482 179.0521 16 A 3.8276 7.4137 120.0099 54.7160 18.3065 178.5706 17 R 3.7538 7.1995 113.1025 56.9140 30.3961 177.4650 18 G 4.0041 7.8446 105.9025 44.2985 0.0000 173.7574 19 W 4.6686 7.5010 119.6275 57.0792 29.9347 175.5585 20 T 4.4516 8.3346 114.5904 60.0135 70.1111 172.5459 21 P 5.1666 0.0000 0.0000 62.6702 32.1627 175.9382 22 V 4.7042 8.5044 122.2300 60.1349 34.8691 174.6945 23 S 4.7338 8.3297 114.9030 55.5537 66.2663 174.2853 24 E 3.8897 9.0369 122.8081 60.0731 28.9099 179.5284 25 S 4.1637 8.0793 113.1277 61.4828 63.3806 175.9757 26 R 4.4436 7.9827 118.2201 55.9366 30.0257 178.0083 27 L 3.9949 7.7480 122.3843 58.5325 42.1338 178.4965 28 D 4.4472 8.2275 118.1406 57.7757 40.5631 178.5916 29 D 4.6239 8.0461 118.9582 56.2064 41.0002 178.3638 30 W 4.1661 8.1041 128.8495 60.3554 30.7641 177.7096 31 L 3.7022 8.3517 119.5528 58.2870 40.7141 179.6993 32 T 3.7556 8.3505 109.5240 63.6883 68.1923 174.7493 33 Q 4.4719 7.7232 118.0720 55.5630 28.9963 176.0367 34 A 4.3700 8.3943 122.1889 48.4615 19.4860 174.1684 35 P 4.3789 0.0000 0.0000 65.6380 32.7859 175.8473 36 D 5.2992 8.1343 122.1730 52.1477 42.9759 175.5302 37 G 4.9046 9.6588 110.7967 44.4897 0.0000 170.5623 38 V 4.9571 9.0511 119.4729 61.0471 34.8257 174.1083 39 V 4.4419 8.5560 128.1305 61.0278 34.1014 174.2044 40 L 4.6692 9.0270 129.0441 53.1231 43.6478 175.2278 41 L 4.6796 8.1654 124.9336 52.4463 43.3608 176.4455 42 S 4.9076 8.4154 118.7939 56.7055 66.4436 173.1214 43 S 4.7663 8.2129 115.3599 56.2672 66.5193 174.0016 44 D 4.0635 8.6497 120.9225 54.4196 41.0735 176.1486 45 P 5.2462 0.0000 0.0000 64.5842 31.8448 178.8645 46 K 4.0091 8.4737 118.0347 59.3440 31.9795 178.4252 47 R 3.9915 7.6319 117.1954 58.2836 30.3858 176.2234 48 T 4.2704 7.2708 111.3467 60.9512 68.2907 171.6802 49 P 4.5164 0.0000 0.0000 64.9280 31.8345 178.4294 50 E 3.9562 8.3330 118.3069 58.9729 29.9044 179.1862 51 V 3.6372 7.9008 118.1139 66.0734 31.3061 177.8252 52 S 4.2408 8.2838 114.4142 61.6309 62.7914 175.9834 53 D 4.5608 8.0656 121.0883 56.3000 40.4171 178.1398 54 N 4.3045 7.7522 116.9566 56.1199 38.6324 174.7178 55 P 4.8585 0.0000 0.0000 65.7414 31.3569 178.6761 56 V 3.8198 7.3716 113.0587 64.3682 31.3817 177.2339 *58 I 4.0916 7.7641 120.7778 61.3819 39.1491 178.2820 59 G 3.7576 8.0929 105.8600 48.0390 0.0000 175.7605 60 E 4.1266 7.9250 120.0029 58.8319 29.8227 179.0535 61 L 4.3505 8.0157 120.0153 58.3417 42.4554 178.9418 62 L 3.9956 7.8879 118.3103 57.7546 41.2353 178.8511 63 H 4.5067 8.1392 117.6633 58.5958 29.8566 175.5248 64 E 4.4844 8.1154 118.1217 56.7672 30.0989 176.5121 65 F 5.2171 8.3544 116.7828 54.6265 39.7718 174.3125 66 P 4.5272 0.0000 0.0000 64.5464 31.7013 177.9507 67 D 4.2356 8.5213 119.2971 56.5094 40.8202 176.0272 68 Y 4.3788 7.5199 114.4428 56.3069 40.5243 174.9398 69 T 4.2940 8.6269 115.6928 61.2370 67.0229 175.3608 70 W 5.0430 7.5836 119.4376 57.4109 30.0591 176.1178 71 Q 4.9048 9.3047 120.5858 54.1870 32.4063 174.3062 72 V 4.6470 8.7396 122.1680 60.9487 34.5253 173.8891 73 A 4.6199 9.0347 129.3736 49.6866 22.3495 174.9918 74 I 5.0035 8.1791 113.3733 59.0824 40.5412 174.0919 75 A 5.3276 8.5042 128.5575 50.0593 21.1858 176.3579 76 D 4.9502 8.5191 120.7465 52.1879 40.8379 176.9658 77 L 3.6742 8.1937 118.2067 58.7356 41.5655 179.3476 78 E 4.0024 8.0875 117.3685 59.4433 29.5944 178.8024 79 Q 3.9545 8.1604 118.9778 59.8793 28.6315 179.3090 80 S 4.2955 8.8080 116.0379 61.6936 62.7909 176.7941 81 E 3.9477 8.6396 121.3399 59.3132 29.0594 178.8802 82 A 3.9778 7.9758 118.6923 55.4032 18.5929 179.0478 83 I 3.9905 8.3605 118.3925 64.6507 37.2577 178.5211 84 G 4.0576 8.5621 106.7930 48.2561 0.0000 174.9180 85 D 4.1038 7.9475 121.4073 57.2826 40.7042 179.1027 86 R 3.9430 7.4604 116.7686 58.8305 30.0649 178.1415 87 F 4.7607 8.2292 114.2656 56.4292 39.8424 176.6170 88 G 3.7836 8.6943 105.4693 45.7382 0.0000 174.0892 89 A 4.0196 7.8438 122.6294 53.0348 18.0651 177.2186 90 F 4.5949 8.7874 119.9073 57.6755 39.5933 176.7164 91 R 4.6023 7.8150 122.0946 54.3366 29.6975 173.7231 92 F 4.9610 8.2847 119.8172 55.4461 40.4767 173.7037 93 P 4.4895 0.0000 0.0000 62.7323 32.0549 175.4972 94 A 4.7841 8.2254 123.4066 50.5067 23.4665 175.0433 95 T 4.7797 8.0955 114.4584 61.7157 72.3367 173.2288 96 L 4.7624 8.9004 127.2378 53.6604 43.7833 175.7156 97 V 4.8430 8.7366 123.6191 61.2202 33.8809 174.1893 98 F 5.3036 10.0227 126.8475 55.9985 42.1593 174.1255 99 T 4.7837 9.0716 118.5181 60.5987 70.8357 173.8303 100 G 4.1061 10.4170 116.1357 46.7948 0.0000 173.8401 101 G 4.0684 9.1918 103.8088 45.8016 0.0000 173.6187 102 N 4.9942 8.6501 116.8804 50.8330 41.5976 173.3924 103 Y 3.7514 8.4575 123.3539 57.5960 38.3484 175.4968 104 R 3.9546 8.6274 126.8196 56.0461 31.2220 176.3589 105 G 3.2169 5.6985 104.1635 43.7556 0.0000 172.2692 106 V 5.3038 7.7081 120.3986 59.6066 33.6423 175.0954 107 L 4.2776 8.7094 126.5208 54.6725 41.9368 175.7048 108 N 4.8665 8.8673 120.8359 51.4782 40.7171 173.8962 109 G 3.6763 9.4678 104.6502 44.4100 0.0000 172.4502 110 I 4.3272 7.5482 118.3424 59.7371 39.8351 174.3120 111 H 5.0483 8.3022 123.6777 53.0426 32.9261 171.7913 112 P 4.5023 0.0000 0.0000 62.1843 32.2832 177.3245 113 W 4.2977 9.1933 130.2103 60.8674 30.9162 178.0771 114 A 3.7460 8.5850 120.3608 55.4922 17.8829 179.5027 115 E 4.4307 7.9582 110.5819 56.9438 28.8089 176.6388 116 L 4.4766 7.7549 119.3713 56.3654 44.1071 178.2114 117 I 3.5646 7.1947 118.6108 64.0324 37.9598 176.8863 118 N 4.4739 7.8946 116.3986 55.7280 37.5934 176.0410 119 L 4.1056 8.3639 118.1367 55.2115 40.9842 178.2042 *121 R 4.4553 8.0577 117.2964 55.9634 31.3586 175.5990 122 G 4.0887 7.8958 103.8274 45.9492 0.0000 174.2887 123 L 4.6276 7.7264 117.9223 54.2448 44.0559 177.5636 124 V 4.4135 7.6817 110.1822 60.4126 32.1523 175.1824 125 E 4.2792 7.9954 126.4675 56.7940 29.3731 174.5549 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 5 T 8.02 4.40 4.32 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 1.25 0.00 0.00 6 P 0.00 4.30 0.00 2.44 2.39 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 7 F 9.09 4.51 0.00 3.09 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 8 D 7.79 4.16 0.00 2.93 2.67 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 9 A 7.51 3.95 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 L 7.99 3.89 0.00 1.74 2.13 1.02 1.40 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 11 W 8.20 4.24 0.00 2.67 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 12 Q 8.45 4.06 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 13 R 7.79 3.87 0.00 1.86 1.87 0.00 3.19 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 *15 L 7.98 4.04 0.00 1.65 1.58 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.41 3.83 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 17 R 7.20 3.75 0.00 0.67 1.05 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 18 G 7.84 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 19 W 7.50 4.67 0.00 3.10 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 20 T 8.33 4.45 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 21 P 0.00 5.17 0.00 2.12 2.51 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 22 V 8.50 4.70 1.67 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 0.49 0.00 0.00 0.83 0.00 0.00 23 S 8.33 4.73 0.00 3.97 3.95 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 24 E 9.04 3.89 0.00 2.04 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 0.00 2.46 2.43 0.00 25 S 8.08 4.16 0.00 3.89 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 26 R 7.98 4.44 0.00 1.85 2.00 0.00 3.33 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 27 L 7.75 3.99 0.00 1.80 1.86 0.91 1.38 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 28 D 8.23 4.45 0.00 2.76 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 29 D 8.05 4.62 0.00 2.79 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 30 W 8.10 4.17 0.00 3.41 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 31 L 8.35 3.70 0.00 2.04 1.69 0.55 0.41 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 32 T 8.35 3.76 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 1.25 0.00 0.00 33 Q 7.72 4.47 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 34 A 8.39 4.37 0.20 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 0.00 0.00 0.00 35 P 0.00 4.38 0.00 2.09 2.29 0.00 3.50 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 2.00 1.95 0.00 36 D 8.13 5.30 0.00 2.37 1.70 0.00 0.00 0.00 0.00 0.00 0.00 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 9.66 4.90 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 38 V 9.05 4.96 1.79 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 0.55 0.00 0.00 0.23 0.00 0.00 39 V 8.56 4.44 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 0.58 0.00 0.00 0.72 0.00 0.00 40 L 9.03 4.67 0.00 1.45 1.41 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.17 4.68 0.00 0.44 0.76 0.81 0.47 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 42 S 8.42 4.91 0.00 3.78 3.78 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 43 S 8.21 4.77 0.00 3.76 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 44 D 8.65 4.06 0.00 2.55 2.54 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 0.00 0.00 0.00 0.00 45 P 0.00 5.25 0.00 2.30 2.16 0.00 4.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 46 K 8.47 4.01 0.00 2.07 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.40 7.81 47 R 7.63 3.99 0.00 1.69 2.05 0.00 3.35 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 48 T 7.27 4.27 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 1.27 0.00 0.00 49 P 0.00 4.52 0.00 2.28 2.31 0.00 3.95 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 2.09 1.96 0.00 50 E 8.33 3.96 0.00 2.03 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 2.42 2.28 0.00 51 V 7.90 3.64 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 1.18 0.00 0.00 1.09 0.00 0.00 52 S 8.28 4.24 0.00 3.94 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 53 D 8.07 4.56 0.00 2.85 2.74 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 54 N 7.75 4.30 0.00 3.01 2.96 0.00 0.00 6.99 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 55 P 0.00 4.86 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 56 V 7.37 3.82 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 0.98 0.00 0.00 0.94 0.00 0.00 *58 I 7.76 4.09 1.96 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.59 0.00 0.00 59 G 8.09 3.76 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 0.00 0.00 0.00 60 E 7.92 4.13 0.00 2.18 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 0.00 2.78 2.55 0.00 61 L 8.02 4.35 0.00 1.81 1.83 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.89 4.00 0.00 1.81 1.67 0.62 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.14 4.51 0.00 3.25 3.69 0.00 5.74 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.12 4.48 0.00 2.39 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 2.93 2.96 0.00 65 F 8.35 5.22 0.00 3.73 3.56 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 66 P 0.00 4.53 0.00 2.06 2.16 0.00 3.73 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 2.04 2.31 0.00 67 D 8.52 4.24 0.00 1.68 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 0.00 0.00 0.00 0.00 68 Y 7.52 4.38 0.00 1.43 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 69 T 8.63 4.29 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 1.18 0.00 0.00 70 W 7.58 5.04 0.00 3.43 3.11 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 0.00 0.00 0.00 71 Q 9.30 4.90 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 72 V 8.74 4.65 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 0.00 0.00 -0.10 0.00 0.00 0.59 0.00 0.00 73 A 9.03 4.62 -0.27 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 74 I 8.18 5.00 1.90 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 0.83 0.00 0.00 75 A 8.50 5.33 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 76 D 8.52 4.95 0.00 2.90 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 0.00 0.00 0.00 77 L 8.19 3.67 0.00 1.48 1.62 0.70 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.09 4.00 0.00 2.02 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 2.38 2.41 0.00 79 Q 8.16 3.95 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 80 S 8.81 4.30 0.00 4.15 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 81 E 8.64 3.95 0.00 2.22 1.96 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 2.26 2.54 0.00 82 A 7.98 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 83 I 8.36 3.99 1.87 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 1.50 0.78 0.78 0.00 0.00 84 G 8.56 4.06 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 0.00 0.00 0.00 85 D 7.95 4.10 0.00 2.87 2.74 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 86 R 7.46 3.94 0.00 2.00 1.81 0.00 3.10 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 87 F 8.23 4.76 0.00 2.80 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 88 G 8.69 3.78 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 0.00 0.00 0.00 89 A 7.84 4.02 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 90 F 8.79 4.59 0.00 3.07 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 91 R 7.81 4.60 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 92 F 8.28 4.96 0.00 2.86 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 93 P 0.00 4.49 0.00 1.97 1.90 0.00 3.64 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 2.03 2.10 0.00 94 A 8.23 4.78 1.14 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 0.00 0.00 95 T 8.10 4.78 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 0.99 0.00 0.00 96 L 8.90 4.76 0.00 1.50 1.69 -0.44 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.74 4.84 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 0.96 0.00 0.00 0.77 0.00 0.00 98 F 10.02 5.30 0.00 3.36 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 99 T 9.07 4.78 4.13 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 0.00 0.00 0.00 1.21 0.00 0.00 100 G 10.42 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.19 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 0.00 102 N 8.65 4.99 0.00 2.89 2.67 0.00 0.00 6.67 8.08 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 0.00 103 Y 8.46 3.75 0.00 2.36 2.74 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 0.00 104 R 8.63 3.95 0.00 1.70 1.97 0.00 3.44 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 105 G 5.70 3.22 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 0.00 0.00 0.00 0.00 106 V 7.71 5.30 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 1.06 0.00 0.00 0.98 0.00 0.00 107 L 8.71 4.28 0.00 1.54 1.62 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.87 4.87 0.00 2.88 2.79 0.00 0.00 6.55 7.00 0.00 0.00 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 G 9.47 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.55 4.33 1.83 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 1.40 0.93 0.88 0.00 0.00 111 H 8.30 5.05 0.00 3.14 3.10 0.00 5.96 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.50 0.00 2.25 2.06 0.00 3.70 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 2.16 2.13 0.00 113 W 9.19 4.30 0.00 3.41 3.36 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 0.00 114 A 8.59 3.75 1.42 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 0.00 0.00 115 E 7.96 4.43 0.00 2.14 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 2.34 2.41 0.00 116 L 7.75 4.48 0.00 1.77 1.47 0.91 0.82 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 0.00 117 I 7.19 3.56 1.09 0.00 0.00 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 1.27 1.05 0.35 0.00 0.00 118 N 7.89 4.47 0.00 2.83 2.87 0.00 0.00 6.06 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 0.00 119 L 8.36 4.11 0.00 1.75 1.65 0.83 0.91 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 *121 R 8.06 4.46 0.00 2.17 2.09 0.00 3.23 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.12 0.00 122 G 7.90 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 0.00 0.00 0.00 123 L 7.73 4.63 0.00 1.49 1.69 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.68 4.41 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 0.52 0.00 0.00 1.00 0.00 0.00 125 E 8.00 4.28 0.00 1.97 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 2.25 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.