NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3478 8.0333 110.9380 61.0499 70.4049 174.4501 3 I 3.4587 8.2153 122.9625 63.9717 36.7984 177.1023 4 A 3.8548 8.6605 122.5250 55.1884 18.6509 179.1114 5 E 3.8219 7.8232 116.5510 59.4860 29.4579 179.6138 6 I 3.3743 7.9607 119.9325 64.2716 37.1945 178.2492 7 A 2.5800 7.9851 121.7096 54.4767 18.0171 179.5930 8 K 3.7018 7.9197 118.1694 59.5446 32.2164 178.5899 9 D 4.2693 8.2325 118.5836 57.2701 41.2311 177.5891 10 F 4.1407 8.1255 121.5001 61.9018 39.2839 177.2074 11 T 3.8357 7.9410 114.9570 66.6763 68.1687 176.4427 12 E 3.9455 8.2329 120.3930 59.4279 29.4667 179.2979 13 L 3.9398 8.1871 119.2683 57.9279 41.6090 179.7293 14 L 3.9585 7.6836 118.7955 57.6687 41.3532 179.6944 15 K 4.0333 8.3107 117.8977 59.2226 32.0470 178.6436 16 Q 4.2815 8.0218 116.0970 55.9238 28.6475 176.7069 17 G 3.8113 7.9085 108.2859 46.7501 0.0000 175.2279 18 D 4.7513 8.0679 119.4397 52.4625 37.8537 176.2158 19 N 4.1659 7.7718 122.4010 56.6450 39.1713 177.0590 20 A 4.1139 8.0077 121.5290 54.9728 18.4770 179.8192 21 G 3.4681 8.2970 104.0637 47.8077 0.0000 175.8592 22 A 4.0837 8.0463 123.2007 54.7538 18.2849 179.5476 23 A 4.1470 8.1935 119.3173 55.4340 18.2988 179.4723 24 E 3.8736 8.2554 116.7718 59.3401 29.7879 178.6573 25 K 3.9131 8.0705 118.6294 58.9711 32.5678 176.9776 26 Y 4.7811 8.0268 115.2697 58.3448 39.7735 175.7274 27 N 4.8846 8.3801 117.6766 52.9013 39.3804 174.9832 28 A 4.3372 9.0553 125.8082 51.7017 19.4298 178.2069 29 D 4.4615 8.8571 119.9786 56.9501 40.9871 178.2100 30 D 5.0260 7.8250 116.2038 52.5595 40.0405 175.7038 31 I 3.9452 7.6608 119.8668 62.7582 39.1475 174.0213 32 A 4.9341 8.6935 130.3068 50.1525 21.4772 175.2866 33 S 5.0048 8.6322 117.5654 56.5167 65.6760 172.2475 34 Y 4.8866 8.7512 124.4635 56.1632 39.9346 176.4912 35 E 4.2446 9.1997 124.9673 58.3106 30.3345 179.7756 36 A 4.5363 8.0737 125.8381 51.4890 17.5471 177.7352 *38 E 4.1619 8.2272 115.7639 56.8554 31.9406 176.5804 39 G 4.0713 8.5142 114.4076 43.1913 0.0000 172.4670 40 P 4.1529 0.0000 0.0000 64.0465 31.1197 176.5630 *42 A 4.3643 7.8877 121.8657 51.1212 21.2172 176.8423 43 V 4.5855 7.7242 114.8573 61.1949 33.3717 175.1386 44 S 4.7009 8.5635 121.7542 56.7208 65.8858 172.1029 45 H 5.1324 8.8437 122.4861 54.6459 31.8969 173.2256 46 G 4.1279 9.1746 111.9900 44.5501 0.0000 174.8994 47 K 3.9498 9.3427 124.8430 59.4204 32.2821 179.1346 48 E 4.0032 8.1695 118.9530 58.8676 29.6748 178.2818 49 A 3.9958 7.9626 120.5550 55.1998 18.4931 179.2342 50 L 3.9599 7.9376 118.7652 58.1111 42.0155 179.1194 51 R 3.9442 8.1171 118.9083 59.5191 29.9936 178.5041 52 Q 4.0467 8.2600 117.8674 58.8653 28.6684 178.7930 53 K 4.1014 8.1651 120.6659 59.6311 32.1946 179.1109 54 S 4.2606 8.6296 115.9419 61.6784 62.6880 176.6362 55 Q 4.0428 8.4807 120.9699 58.6844 28.2687 178.5438 56 W 4.1008 8.2523 128.1010 60.3242 31.1749 177.3635 57 W 3.9616 9.0523 128.4971 60.7129 29.7733 177.9501 58 Q 4.1143 8.6195 118.0689 59.0375 27.8987 178.6570 59 E 3.9521 8.1613 118.8696 58.4396 29.7075 177.3246 60 N 4.4583 7.0294 114.0173 52.9434 39.8866 174.3335 61 H 4.8099 7.2479 114.7500 53.9236 33.0529 172.3926 62 E 4.2538 8.9420 124.7119 54.9598 31.0292 174.7413 63 V 4.6024 8.2263 127.4890 62.1881 31.8816 175.1171 64 H 4.4968 9.3218 126.6994 57.0753 29.8293 175.6719 65 G 3.8872 7.6562 104.9122 46.3302 0.0000 170.7050 66 G 4.4270 7.7912 106.0573 46.4803 0.0000 172.3319 67 S 5.0007 8.8927 113.6349 56.5724 66.9293 173.3837 68 V 4.8394 8.4188 120.2691 61.3371 33.9822 174.2148 69 E 4.5824 9.7137 127.7575 55.2115 32.3394 175.1167 70 G 2.9049 8.4341 108.8955 43.1697 0.0000 171.1248 71 P 4.6398 0.0000 0.0000 62.9768 32.6094 175.4393 72 Y 4.5984 8.9809 120.6318 56.6197 39.6077 174.7895 73 V 4.9491 8.4426 124.0768 61.3115 34.7288 174.9645 74 N 4.6989 9.3436 125.6148 53.4022 41.8885 174.6772 75 G 3.8300 8.2730 117.5341 47.4551 0.0000 172.9005 76 D 4.8870 8.7102 123.7885 53.9504 40.9312 175.0792 77 Q 5.3198 8.0323 117.8564 54.2116 33.1515 174.3671 78 F 5.5627 8.7598 114.6436 55.4226 41.9141 173.1738 79 A 5.5075 9.6209 121.7093 50.3609 22.3605 175.2034 80 L 5.2853 9.1404 119.3925 52.9608 46.3959 175.5078 81 R 4.9976 9.0801 123.2773 54.7868 32.2435 174.4949 82 F 5.5405 9.3866 125.6771 55.7864 41.7927 174.6861 83 K 5.0079 9.2969 124.4059 54.6154 35.3186 174.8125 84 F 5.5172 8.2672 120.9915 55.5002 41.9327 172.3976 85 D 5.5349 9.1437 120.9485 52.8372 43.0476 175.4919 86 V 5.0605 9.0496 124.7774 60.6628 35.6011 174.2130 87 T 4.7616 8.9714 120.7606 61.1711 70.2305 171.8942 88 P 4.3453 0.0000 0.0000 62.1167 32.0087 178.1352 89 K 3.8528 8.6134 123.6376 59.3277 31.9219 178.5966 90 A 4.1011 8.0793 122.3965 54.3019 18.5366 177.9790 91 T 4.3156 7.6797 103.7270 60.6230 70.8101 175.1628 92 G 3.8136 8.3234 108.4591 45.7153 0.0000 172.3231 93 E 4.5110 7.9862 120.3466 53.5700 30.9755 175.5978 94 R 4.3654 8.5148 127.3952 56.6688 30.8584 175.7296 95 V 4.6068 8.9019 118.2414 60.4463 36.8447 174.6466 96 T 5.4566 8.0636 118.3692 61.2430 71.4395 173.4870 *98 D 4.4759 8.4558 120.8995 54.7657 41.3208 174.3224 99 E 5.1989 9.1789 125.5329 54.5884 34.4872 174.9156 100 V 4.9262 9.1158 121.2120 61.2480 34.4610 174.3936 101 G 4.5964 9.6368 115.3094 44.3664 0.0000 171.6802 102 L 4.9997 8.5227 126.6442 53.1798 44.8189 174.4339 103 Y 4.8040 8.5819 124.2724 56.3315 40.7709 174.6372 104 T 4.7625 8.6476 121.2716 61.8565 70.7946 173.6049 105 V 4.8804 8.9707 129.6547 61.6424 33.7150 175.8506 106 K 4.5346 8.7169 128.6927 53.9305 34.9913 173.1068 107 N 4.0198 9.8627 121.2201 53.5118 35.8662 175.5288 108 G 4.0591 8.6878 104.6488 45.4544 0.0000 174.1473 109 K 4.8881 7.8444 118.4922 54.2333 35.7566 175.4527 110 I 4.5678 8.9490 123.4446 61.4874 37.4061 176.6921 111 T 4.5837 9.1174 118.8859 62.9472 70.5117 174.3279 112 E 5.3140 7.9249 122.5611 54.7410 33.4647 173.3448 113 E 4.6834 9.1744 123.8108 54.4225 33.2329 174.6585 114 R 4.6896 7.7400 122.1761 54.7664 33.7776 173.3662 115 F 5.5000 8.7909 124.8483 55.9728 42.0301 174.1278 116 Y 4.8038 9.6362 122.7736 57.0618 41.2603 176.3596 *117 Y 4.3490 8.3991 120.8013 57.1854 38.0886 172.4847 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 T 8.03 4.35 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 1.26 0.00 0.00 3 I 8.22 3.46 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 1.58 0.53 0.96 0.00 0.00 4 A 8.66 3.85 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 5 E 7.82 3.82 0.00 2.16 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 2.30 2.32 0.00 6 I 7.96 3.37 1.80 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 1.46 0.80 0.33 0.00 0.00 7 A 7.99 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.92 3.70 0.00 1.78 1.89 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 9 D 8.23 4.27 0.00 2.95 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 10 F 8.13 4.14 0.00 2.66 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 11 T 7.94 3.84 4.28 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 1.16 0.00 0.00 12 E 8.23 3.95 0.00 2.14 1.98 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 2.30 2.46 0.00 13 L 8.19 3.94 0.00 1.74 1.65 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.68 3.96 0.00 1.81 1.74 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.31 4.03 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 16 Q 8.02 4.28 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 17 G 7.91 3.81 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 0.00 0.00 0.00 18 D 8.07 4.75 0.00 2.72 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 19 N 7.77 4.17 0.00 2.73 2.77 0.00 0.00 6.87 7.08 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 20 A 8.01 4.11 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 21 G 8.30 3.47 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 0.00 0.00 0.00 22 A 8.05 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 4.15 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 24 E 8.26 3.87 0.00 2.05 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 2.32 2.35 0.00 25 K 8.07 3.91 0.00 1.68 1.47 0.00 1.62 0.00 0.00 1.39 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.06 7.81 26 Y 8.03 4.78 0.00 3.49 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 27 N 8.38 4.88 0.00 2.89 2.85 0.00 0.00 6.96 7.76 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 28 A 9.06 4.34 1.36 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 0.00 0.00 29 D 8.86 4.46 0.00 2.74 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 30 D 7.83 5.03 0.00 2.78 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 31 I 7.66 3.95 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 1.00 0.00 0.00 32 A 8.69 4.93 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 33 S 8.63 5.00 0.00 3.83 3.59 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 0.00 0.00 0.00 0.00 34 Y 8.75 4.89 0.00 2.74 2.70 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 35 E 9.20 4.24 0.00 2.00 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 2.39 2.43 0.00 36 A 8.07 4.54 1.36 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 0.00 0.00 *38 E 8.23 4.16 0.00 2.03 1.82 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 2.13 1.89 0.00 39 G 8.51 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 40 P 0.00 4.15 0.00 2.02 2.08 0.00 3.70 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 2.08 0.00 *42 A 7.89 4.36 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 43 V 7.72 4.59 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 0.34 0.00 0.00 1.02 0.00 0.00 44 S 8.56 4.70 0.00 3.80 3.50 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 0.00 0.00 0.00 0.00 45 H 8.84 5.13 0.00 2.99 3.12 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 9.17 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 0.00 0.00 0.00 0.00 47 K 9.34 3.95 0.00 2.14 1.88 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 48 E 8.17 4.00 0.00 2.14 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 2.39 2.45 0.00 49 A 7.96 4.00 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 50 L 7.94 3.96 0.00 1.97 1.87 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.12 3.94 0.00 1.97 2.11 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 52 Q 8.26 4.05 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 53 K 8.17 4.10 0.00 1.86 2.01 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.49 7.81 54 S 8.63 4.26 0.00 4.06 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 55 Q 8.48 4.04 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 56 W 8.25 4.10 0.00 3.44 3.62 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 57 W 9.05 3.96 0.00 3.81 3.40 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 58 Q 8.62 4.11 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 59 E 8.16 3.95 0.00 1.82 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 0.00 2.37 2.42 0.00 60 N 7.03 4.46 0.00 1.44 1.96 0.00 0.00 6.62 7.59 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 61 H 7.25 4.81 0.00 1.74 2.47 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.94 4.25 0.00 1.92 1.69 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 1.95 2.12 0.00 63 V 8.23 4.60 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 0.95 0.00 0.00 1.13 0.00 0.00 64 H 9.32 4.50 0.00 3.15 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.66 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 0.00 0.00 0.00 66 G 7.79 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.89 5.00 0.00 3.88 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 68 V 8.42 4.84 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 0.71 0.00 0.00 1.12 0.00 0.00 69 E 9.71 4.58 0.00 1.99 1.93 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 2.26 2.27 0.00 70 G 8.43 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 71 P 0.00 4.64 0.00 1.94 1.82 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 72 Y 8.98 4.60 0.00 2.96 2.93 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 73 V 8.44 4.95 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 0.81 0.00 0.00 0.92 0.00 0.00 74 N 9.34 4.70 0.00 2.72 2.63 0.00 0.00 7.10 8.63 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 75 G 8.27 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 76 D 8.71 4.89 0.00 2.72 2.91 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 77 Q 8.03 5.32 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 78 F 8.76 5.56 0.00 3.10 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 79 A 9.62 5.51 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 80 L 9.14 5.29 0.00 1.50 1.01 1.19 0.76 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 81 R 9.08 5.00 0.00 1.88 1.84 0.00 3.15 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 1.80 1.62 0.00 82 F 9.39 5.54 0.00 3.24 3.20 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 83 K 9.30 5.01 0.00 1.90 1.72 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 84 F 8.27 5.52 0.00 3.30 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 85 D 9.14 5.53 0.00 2.86 2.70 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 86 V 9.05 5.06 2.55 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 0.88 0.00 0.00 1.06 0.00 0.00 87 T 8.97 4.76 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 1.19 0.00 0.00 88 P 0.00 4.35 0.00 1.99 1.79 0.00 3.71 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 2.12 2.15 0.00 89 K 8.61 3.85 0.00 1.34 1.73 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.15 7.81 90 A 8.08 4.10 1.27 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 91 T 7.68 4.32 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 92 G 8.32 3.81 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 0.00 0.00 0.00 93 E 7.99 4.51 0.00 1.91 1.83 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 2.21 2.20 0.00 94 R 8.51 4.37 0.00 1.86 1.81 0.00 3.02 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 95 V 8.90 4.61 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 0.99 0.00 0.00 96 T 8.06 5.46 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 1.17 0.00 0.00 *98 D 8.46 4.48 0.00 2.62 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 99 E 9.18 5.20 0.00 2.21 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 2.32 2.29 0.00 100 V 9.12 4.93 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 0.90 0.00 0.00 0.94 0.00 0.00 101 G 9.64 4.60 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 0.00 0.00 0.00 102 L 8.52 5.00 0.00 1.61 1.47 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.58 4.80 0.00 1.43 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 0.00 104 T 8.65 4.76 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 1.20 0.00 0.00 105 V 8.97 4.88 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 0.75 0.00 0.00 1.05 0.00 0.00 106 K 8.72 4.53 0.00 1.65 1.59 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.25 7.81 107 N 9.86 4.02 0.00 2.89 2.96 0.00 0.00 7.21 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 0.00 108 G 8.69 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 0.00 109 K 7.84 4.89 0.00 1.87 1.91 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 110 I 8.95 4.57 1.97 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 1.05 0.00 0.00 111 T 9.12 4.58 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 1.24 0.00 0.00 112 E 7.92 5.31 0.00 2.07 1.75 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 2.27 2.65 0.00 113 E 9.17 4.68 0.00 1.39 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 2.21 2.22 0.00 114 R 7.74 4.69 0.00 1.68 1.56 0.00 2.91 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.29 0.00 115 F 8.79 5.50 0.00 3.11 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 0.00 116 Y 9.64 4.80 0.00 2.88 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 *117 Y 8.40 4.35 0.00 2.26 1.97 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 * Residues marked with a * may have inaccurate shift predictions.