NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4859 8.3649 120.1709 53.9274 42.6498 175.2757 2 V 3.9283 7.4852 109.9136 59.4256 33.0224 173.9079 3 Q 4.6095 9.9991 124.1610 54.4598 33.2928 173.3201 4 L 5.1050 8.6788 124.8587 53.1996 44.0772 175.6264 5 Q 4.7264 9.1173 123.5453 54.0544 31.1818 174.8055 6 A 5.4405 8.7340 125.5784 50.6941 21.7118 175.5445 7 S 4.5793 9.3789 115.2179 57.6393 68.1679 174.3981 8 G 3.9706 8.4219 106.9427 44.2307 0.0000 171.8577 9 G 3.6322 7.8903 104.3579 43.6441 0.0000 170.9830 10 G 3.8819 8.4118 102.9955 43.8933 0.0000 172.5134 11 S 5.4578 8.2620 115.0637 57.0250 65.4878 174.3335 12 V 4.4740 8.3535 119.6936 60.6129 34.8882 172.7909 13 Q 4.5720 8.6696 124.0197 55.4785 30.3312 175.1279 14 A 4.2529 8.5728 128.7451 54.1214 18.8792 177.9607 15 G 3.9616 9.3662 110.2420 45.1620 0.0000 174.1192 16 G 4.0103 7.9613 107.1195 45.7993 0.0000 172.6028 17 S 5.3386 8.3687 113.7401 56.8232 67.3781 173.6269 18 L 4.6404 8.5068 120.7820 53.1474 46.4489 175.0956 19 R 4.7839 8.3641 121.5092 54.6094 32.3261 174.6818 20 L 4.7631 8.4735 126.4170 53.4675 44.3233 175.7004 21 S 5.3761 9.0244 116.3488 57.3551 67.8768 172.5650 22 C 5.3268 9.1120 121.5931 55.4624 47.8669 172.2753 23 A 5.2112 9.4777 128.4729 50.1182 21.1402 174.7768 24 A 5.1279 8.9514 125.6919 50.6001 20.3943 176.5880 25 S 4.7427 9.3670 116.8700 57.3169 66.7903 175.3963 26 G 3.8991 9.3421 108.7987 45.4147 0.0000 173.1915 27 Y 4.4136 7.6449 116.8314 57.1784 39.4627 174.8026 28 T 4.4405 8.6661 111.9436 62.7266 70.5115 174.7724 29 I 4.3981 7.9976 121.6528 59.9610 39.7979 175.7646 30 G 3.8021 8.7551 111.5924 43.4636 0.0000 170.8075 31 P 4.3138 0.0000 0.0000 62.4926 32.2396 175.6380 32 Y 4.2044 8.7784 120.5615 60.1058 39.8795 174.5777 33 C 5.7371 8.2004 114.6904 55.4197 46.0849 173.2042 34 M 5.3123 8.7143 119.9736 54.1355 36.3991 174.7027 35 G 4.3491 8.6220 108.2810 45.5990 0.0000 171.4784 36 W 5.4875 9.1321 119.1918 54.8013 32.7048 175.2303 37 F 5.4065 9.6281 122.2661 55.6528 42.4761 174.3690 38 R 5.1723 9.4748 117.8493 54.4890 33.1985 174.0205 39 Q 4.8230 9.1119 121.0604 54.5590 32.4388 173.4312 40 A 4.9065 8.5256 128.0620 50.0541 21.1859 175.7368 41 P 4.1140 0.0000 0.0000 65.3993 31.7191 178.8172 42 G 4.1992 7.7888 105.2149 44.4917 0.0000 172.4820 43 K 4.6189 7.6976 116.8205 54.3488 36.8374 176.0027 44 E 4.1772 8.4448 120.8025 55.6554 30.2094 176.1410 45 R 4.2653 8.4662 125.4489 56.6604 31.1760 174.9981 46 E 4.7365 9.6314 126.8669 54.1984 32.6433 174.8540 47 G 3.8326 8.7872 114.3724 45.6084 0.0000 173.3153 48 V 4.1682 8.7303 126.8074 65.1030 32.7549 175.5659 49 A 5.0901 7.6865 119.5448 51.0809 22.6846 174.4227 50 A 5.0728 8.6905 120.5495 51.0715 23.8345 175.0636 51 I 5.1090 8.7051 118.2346 59.8077 42.2484 173.6175 52 N 4.9892 9.1228 126.9945 52.8198 39.3212 174.6777 53 M 4.2923 8.5267 124.8149 55.6473 32.8525 177.7781 54 G 3.6782 8.1707 112.5573 44.6250 0.0000 172.0249 55 G 4.0130 9.3372 115.4252 44.6244 0.0000 173.1351 56 G 3.9164 8.5734 106.3009 45.6024 0.0000 173.4698 57 I 3.9866 7.5618 121.0125 61.2619 38.1351 175.2001 58 T 4.9133 8.0937 115.6235 60.1559 71.6016 172.9315 59 Y 4.7907 8.2638 118.8569 56.6628 42.4666 174.0691 60 Y 5.2583 8.4848 118.2377 56.0628 42.4809 175.0091 61 A 4.1926 9.0841 124.7657 51.9193 19.1297 178.5717 62 D 4.3500 9.0243 120.9329 57.5285 41.0765 178.9753 63 S 4.2609 8.0223 111.3148 60.0904 63.0448 174.7252 64 V 3.9280 7.7798 112.6294 60.1420 33.3482 175.4638 65 K 3.7647 7.4459 120.5340 57.8242 32.1204 177.6256 66 G 3.9285 8.6588 111.3648 45.3795 0.0000 173.7497 67 R 4.5485 8.1333 117.9825 56.6443 33.0412 175.9524 68 F 5.6418 8.0715 115.1389 56.2395 41.9874 175.7482 69 T 4.8845 8.9430 117.4328 62.2204 72.6900 172.6651 70 I 5.2374 9.1736 127.3058 59.6084 40.2506 174.5077 71 S 4.9687 9.1546 122.0354 57.3265 66.9064 172.4814 72 Q 5.0675 8.5794 117.6071 54.6149 30.6435 174.9730 73 D 4.4194 9.1374 120.8915 55.2759 41.8770 176.1488 74 N 4.5107 8.5132 120.2112 54.4505 38.4550 175.4847 75 A 4.1453 7.9294 119.6118 54.5793 18.4294 177.9751 76 K 4.5488 7.7242 113.1771 56.8824 33.6567 175.6734 77 N 4.1065 8.3962 114.0534 55.8645 36.8406 173.9573 78 T 5.0471 7.3555 112.2548 61.8699 73.2831 174.9141 79 V 4.8001 8.3947 116.8010 59.7875 36.3780 174.1566 80 Y 5.3479 9.2140 119.4834 56.2083 42.2546 174.6315 81 L 4.8960 8.8333 124.9368 53.2459 44.6604 174.9780 82 L 4.4987 9.1332 130.6006 54.1365 43.5853 175.2293 83 M 4.1958 8.8728 127.8608 53.8234 33.3647 175.4035 84 N 4.9667 9.0270 121.5455 50.1585 41.3274 175.0795 85 S 3.6946 8.3986 113.6541 59.6499 60.7138 173.2899 86 L 4.4410 7.8543 119.7147 54.9944 42.5974 177.0463 87 E 5.0436 9.5550 120.9884 53.6628 33.0174 175.6257 88 P 4.5509 0.0000 0.0000 65.1271 31.5130 178.5675 89 E 4.1954 8.1386 115.9782 58.4131 29.4362 177.1410 90 D 4.7884 8.2074 118.0023 55.2187 41.3740 176.8061 91 T 4.3301 7.8842 117.3029 63.5330 69.0989 173.6426 92 A 4.3567 8.4794 127.1064 52.0508 23.8930 174.7552 93 I 4.6530 8.0395 120.3561 60.8004 38.6063 175.0991 94 Y 4.9763 9.2993 125.7505 56.8228 40.0271 174.2963 95 Y 5.2475 9.7837 121.6675 56.3972 41.3781 174.2627 96 C 4.0683 8.8793 123.3843 55.9538 45.7710 171.8677 97 A 4.7900 8.2102 124.7081 50.6997 22.7702 174.7880 98 A 5.0397 8.7925 119.7955 50.4509 23.6196 174.9192 99 D 4.9437 8.6118 119.5774 52.7177 42.7944 177.0377 100 S 4.5773 9.6369 122.6054 59.5276 63.4246 174.9467 101 T 3.6205 7.8377 118.9262 63.2277 68.3091 174.4704 102 I 4.2158 7.7805 127.8450 59.7253 36.5618 175.1740 103 Y 3.8582 7.3535 122.8071 57.6704 38.3197 176.8023 104 A 4.1273 8.5856 126.8992 54.9843 18.9390 178.4266 105 S 4.7213 7.6926 108.6766 56.6447 64.8394 173.2778 106 Y 4.3904 8.6274 122.1685 58.3262 38.9132 174.9196 107 Y 4.3971 7.7756 126.5281 55.4735 41.5796 174.3397 108 E 4.0419 7.3652 125.5378 54.4355 30.5084 178.0771 109 C 4.1675 8.6382 122.5112 59.2939 36.1949 176.1124 110 G 2.9026 5.3811 106.4650 46.6180 0.0000 175.0339 111 H 4.0928 7.6941 121.4178 59.4343 29.9407 177.5668 112 G 4.3424 8.1632 108.8254 46.6056 0.0000 175.2901 113 L 3.8703 7.6781 121.4270 58.0292 41.9380 178.5970 114 S 4.5656 7.9127 112.2707 58.7691 64.4558 174.4570 115 T 4.5104 7.7861 112.9210 60.9045 68.3365 175.7070 116 G 3.8430 8.6222 106.1647 46.8219 0.0000 173.9231 117 G 3.9613 8.7725 107.2909 45.3123 0.0000 173.0026 118 Y 4.1601 7.6652 120.0243 59.2432 39.0005 177.3461 119 G 3.7173 8.2889 115.3042 45.5947 0.0000 172.9709 120 Y 4.1519 8.0390 117.1568 57.5414 36.5881 174.6275 121 D 4.7972 8.4499 124.8989 54.2013 40.9836 176.7111 122 S 5.0564 8.2442 116.1094 56.4794 65.9014 173.2964 123 W 5.2533 8.8423 122.7745 54.7782 32.7944 175.4683 124 G 4.1020 9.0505 111.5905 45.8724 0.0000 173.6397 125 Q 4.4027 8.8644 117.5860 56.5881 29.2100 177.4799 126 G 3.4394 8.6697 105.4991 45.7015 0.0000 172.7530 127 T 4.6263 9.0747 120.2962 61.3414 71.6717 173.3159 128 Q 4.5798 8.7340 128.1685 56.0398 30.8373 174.6457 129 V 4.7731 8.9328 125.3732 61.4567 34.9260 174.0818 130 T 4.7946 9.1652 124.6946 61.8238 71.6846 173.1305 131 V 4.7833 8.7248 128.0029 61.2977 33.0366 175.2298 132 S 4.7967 8.8522 123.9600 57.3267 65.0543 173.9809 133 S 4.7204 8.4289 115.5034 57.8604 64.0541 174.0018 134 R 4.1554 8.6230 122.5195 56.9356 30.7528 177.8768 *135 R 4.2554 8.2996 116.3324 56.4676 29.8235 175.8147 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 D 8.36 4.49 0.00 2.58 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 2 V 7.49 3.93 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 -0.30 0.00 0.00 0.78 0.00 0.00 3 Q 10.00 4.61 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 4 L 8.68 5.10 0.00 1.56 1.52 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.12 4.73 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 6 A 8.73 5.44 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 7 S 9.38 4.58 0.00 3.77 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 8 G 8.42 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 9 G 7.89 3.63 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 0.00 10 G 8.41 3.88 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 0.00 0.00 0.00 11 S 8.26 5.46 0.00 3.86 3.84 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 12 V 8.35 4.47 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 0.54 0.00 0.00 0.89 0.00 0.00 13 Q 8.67 4.57 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 14 A 8.57 4.25 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 15 G 9.37 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 16 G 7.96 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 0.00 0.00 0.00 17 S 8.37 5.34 0.00 3.67 3.66 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 18 L 8.51 4.64 0.00 1.27 1.25 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.36 4.78 0.00 1.67 1.69 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 20 L 8.47 4.76 0.00 0.45 1.02 0.12 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.02 5.38 0.00 3.84 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 22 C 9.11 5.33 0.00 2.78 2.69 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 23 A 9.48 5.21 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 24 A 8.95 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.37 4.74 0.00 3.88 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 26 G 9.34 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 27 Y 7.64 4.41 0.00 2.94 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 28 T 8.67 4.44 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 1.21 0.00 0.00 29 I 8.00 4.40 1.92 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 1.38 0.98 0.95 0.00 0.00 30 G 8.76 3.80 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 0.00 0.00 0.00 31 P 0.00 4.31 0.00 2.11 1.31 0.00 3.50 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 0.00 32 Y 8.78 4.20 0.00 3.20 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 33 C 8.20 5.74 0.00 2.69 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 34 M 8.71 5.31 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 35 G 8.62 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 36 W 9.13 5.49 0.00 3.29 3.30 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 37 F 9.63 5.41 0.00 3.33 3.16 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 38 R 9.47 5.17 0.00 1.03 1.02 0.00 2.51 0.00 0.00 2.97 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 39 Q 9.11 4.82 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 40 A 8.53 4.91 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 41 P 0.00 4.11 0.00 2.08 2.15 0.00 3.68 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 2.06 2.17 0.00 42 G 7.79 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 0.00 0.00 0.00 0.00 43 K 7.70 4.62 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.39 7.81 44 E 8.44 4.18 0.00 1.94 1.87 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 2.31 2.30 0.00 45 R 8.47 4.27 0.00 1.97 1.86 0.00 3.18 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 46 E 9.63 4.74 0.00 2.04 1.78 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 2.21 2.25 0.00 47 G 8.79 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 48 V 8.73 4.17 2.43 0.00 0.00 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 0.00 0.00 1.07 0.00 0.00 49 A 7.69 5.09 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 50 A 8.69 5.07 1.22 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 51 I 8.71 5.11 1.91 0.00 0.00 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 1.26 1.45 1.00 0.00 0.00 52 N 9.12 4.99 0.00 2.87 2.86 0.00 0.00 6.86 7.56 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 53 M 8.53 4.29 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 54 G 8.17 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 55 G 9.34 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 0.00 0.00 0.00 56 G 8.57 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 57 I 7.56 3.99 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.64 0.00 0.00 58 T 8.09 4.91 3.88 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 1.26 0.00 0.00 59 Y 8.26 4.79 0.00 2.83 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 60 Y 8.48 5.26 0.00 2.84 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 61 A 9.08 4.19 1.35 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 62 D 9.02 4.35 0.00 2.72 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 63 S 8.02 4.26 0.00 3.91 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 64 V 7.78 3.93 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 0.00 0.00 0.10 0.00 0.00 1.07 0.00 0.00 65 K 7.45 3.76 0.00 1.66 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.60 7.81 66 G 8.66 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 67 R 8.13 4.55 0.00 1.71 2.24 0.00 3.28 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 68 F 8.07 5.64 0.00 2.82 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 69 T 8.94 4.88 4.29 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 1.32 0.00 0.00 70 I 9.17 5.24 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.87 0.00 0.00 71 S 9.15 4.97 0.00 4.01 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 72 Q 8.58 5.07 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.10 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 73 D 9.14 4.42 0.00 3.06 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 74 N 8.51 4.51 0.00 3.06 2.89 0.00 0.00 7.07 8.34 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 75 A 7.93 4.15 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 76 K 7.72 4.55 0.00 1.84 1.87 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.44 7.81 77 N 8.40 4.11 0.00 2.79 2.90 0.00 0.00 6.82 6.87 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 78 T 7.36 5.05 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 0.77 0.00 0.00 79 V 8.39 4.80 2.18 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 0.81 0.00 0.00 0.87 0.00 0.00 80 Y 9.21 5.35 0.00 2.88 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 81 L 8.83 4.90 0.00 0.53 0.46 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.13 4.50 0.00 1.70 1.66 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 83 M 8.87 4.20 0.00 0.94 1.48 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.00 84 N 9.03 4.97 0.00 2.75 2.74 0.00 0.00 7.14 7.52 0.00 0.00 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 8.40 3.69 0.00 3.99 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 86 L 7.85 4.44 0.00 1.82 1.62 0.85 0.99 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 87 E 9.55 5.04 0.00 1.98 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 2.22 2.42 0.00 88 P 0.00 4.55 0.00 2.20 2.13 0.00 3.89 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 2.13 2.09 0.00 89 E 8.14 4.20 0.00 1.97 2.04 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 2.33 2.41 0.00 90 D 8.21 4.79 0.00 2.92 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 91 T 7.88 4.33 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 1.27 0.00 0.00 92 A 8.48 4.36 1.19 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 0.00 0.00 93 I 8.04 4.65 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.32 0.00 0.00 94 Y 9.30 4.98 0.00 3.07 3.13 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 0.00 95 Y 9.78 5.25 0.00 3.34 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 96 C 8.88 4.07 0.00 1.99 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 97 A 8.21 4.79 -0.08 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 0.00 0.00 98 A 8.79 5.04 1.13 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 0.00 0.00 0.00 99 D 8.61 4.94 0.00 1.85 2.34 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 0.00 100 S 9.64 4.58 0.00 3.91 4.05 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 0.00 101 T 7.84 3.62 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 0.14 0.00 0.00 102 I 7.78 4.22 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 1.04 0.00 0.00 103 Y 7.35 3.86 0.00 2.45 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 0.00 104 A 8.59 4.13 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 0.00 105 S 7.69 4.72 0.00 4.09 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 0.00 106 Y 8.63 4.39 0.00 2.96 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 0.00 107 Y 7.78 4.40 0.00 2.02 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 0.00 108 E 7.37 4.04 0.00 1.61 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 2.40 2.13 0.00 109 C 8.64 4.17 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 0.00 110 G 5.38 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 0.00 0.00 0.00 111 H 7.69 4.09 0.00 2.95 3.15 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.16 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 0.00 113 L 7.68 3.87 0.00 1.78 1.71 0.24 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.91 4.57 0.00 3.90 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 0.00 115 T 7.79 4.51 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 1.11 0.00 0.00 116 G 8.62 3.84 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 0.00 0.00 0.00 117 G 8.77 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 0.00 118 Y 7.67 4.16 0.00 3.38 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 0.00 119 G 8.29 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.15 0.00 3.16 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 0.00 121 D 8.45 4.80 0.00 2.66 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 0.00 122 S 8.24 5.06 0.00 3.85 3.84 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 0.00 123 W 8.84 5.25 0.00 3.06 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 0.00 124 G 9.05 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 0.00 0.00 0.00 0.00 125 Q 8.86 4.40 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.28 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 126 G 8.67 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.07 4.63 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 1.26 0.00 0.00 128 Q 8.73 4.58 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 129 V 8.93 4.77 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 0.76 0.00 0.00 0.53 0.00 0.00 130 T 9.17 4.79 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 1.23 0.00 0.00 131 V 8.72 4.78 2.19 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 1.06 0.00 0.00 0.99 0.00 0.00 132 S 8.85 4.80 0.00 3.94 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 0.00 133 S 8.43 4.72 0.00 3.90 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 0.00 134 R 8.62 4.16 0.00 1.83 1.92 0.00 3.18 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *135 R 8.30 4.26 0.00 1.81 1.67 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.