NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9008 8.3393 109.7377 45.6806 0.0000 171.9881 0 S 4.6756 8.6843 115.9271 55.9615 66.8012 171.3981 1 M 5.1820 9.2204 120.0095 53.7481 35.7591 175.4341 2 K 4.9931 9.1620 123.0243 54.4889 37.0310 175.0173 3 K 4.6862 9.2963 125.5474 55.3812 33.8785 175.2471 4 V 4.6806 8.9472 128.4784 61.5297 33.3659 174.0214 5 E 5.1849 9.3992 128.2065 54.5124 32.1509 174.8605 6 A 4.9432 9.1602 126.3271 50.0762 22.3575 174.8058 7 I 4.8608 8.5286 124.3139 59.7832 38.9317 174.9321 8 I 5.0752 8.5773 120.5474 58.3816 41.7442 175.1205 9 R 4.2466 8.3559 120.9972 55.4968 30.7941 176.4629 10 P 4.2304 0.0000 0.0000 65.5898 31.4910 178.0256 11 E 4.1944 8.1232 113.7617 57.7537 29.9236 177.7617 12 K 4.3662 8.0512 119.2029 56.3211 32.4780 177.7643 13 L 3.9310 7.6634 121.9362 58.3179 42.0762 178.6631 14 E 3.9498 8.0890 117.8406 59.4392 29.4223 179.1109 15 I 3.6926 7.6502 118.1487 64.0132 38.0953 177.9238 16 V 3.5588 7.8462 119.1630 65.9047 31.3642 177.9218 17 K 3.9301 8.4379 119.8336 59.1701 31.9535 178.7407 18 K 4.2417 8.4471 121.0241 59.0675 32.0961 178.5325 19 A 4.0377 8.1675 121.1612 55.2787 18.1899 179.6331 20 L 4.1260 8.2700 117.7631 58.0248 41.8730 179.9066 21 S 4.2447 8.2913 114.2871 61.6755 62.6986 176.3028 22 D 4.4001 8.4864 121.6543 56.3280 40.5982 177.4979 23 A 4.3622 7.4671 119.1753 51.8715 19.0016 177.8736 24 G 3.5941 7.8737 106.3615 45.3467 0.0000 174.1759 25 Y 4.5422 7.4260 118.2041 56.6106 36.8537 175.0001 26 V 3.9617 8.1568 124.2141 63.2653 32.8112 176.1135 27 G 3.9362 8.0172 108.6076 44.7363 0.0000 172.3431 28 M 5.0911 8.2108 122.2684 53.4404 34.8979 174.4882 29 T 4.7028 8.9499 117.1568 61.8270 71.6349 173.3914 30 V 5.0523 8.4079 125.0674 61.1133 34.2984 174.6617 31 S 4.7892 9.0249 121.2706 56.6097 66.8117 172.6499 32 E 4.6094 8.7680 121.5770 56.1240 30.4104 175.9947 33 V 4.6588 8.6501 116.7189 59.6631 36.6668 174.1744 34 K 5.0351 8.6842 119.3138 54.8494 35.5425 176.4589 35 G 4.2344 9.2604 110.4391 44.4174 0.0000 171.3360 36 R 5.1338 8.1851 123.5490 53.5659 32.0215 175.4689 37 G 4.2332 8.4350 113.7251 43.1752 0.0000 174.0778 38 V 3.4754 8.5869 112.5586 64.5642 30.9450 177.5298 39 Q 3.5253 7.2909 116.7416 57.7696 29.5608 176.4036 40 G 3.3967 8.6049 113.6976 45.6850 0.0000 171.8480 41 G 3.6318 7.9373 107.1359 44.3539 0.0000 173.6865 42 I 3.9500 8.0915 118.3794 61.0466 35.9305 173.3307 43 V 3.8817 8.3783 119.1227 61.5227 30.4200 171.6503 44 E 4.8348 8.1610 116.7413 54.9329 31.5561 180.1195 45 R 5.1512 8.3653 118.3081 53.9064 32.3024 174.1857 46 Y 4.6783 8.5125 121.9929 57.1371 42.0590 174.5726 47 R 3.3988 8.8396 126.4665 57.2990 28.2956 177.0282 48 G 3.8872 8.1360 102.5780 45.6638 0.0000 174.3591 49 R 4.4435 7.9211 121.7481 55.4938 31.7588 175.3801 50 E 5.0929 8.6685 120.6180 55.8804 31.4285 176.5445 *51 Y 4.5652 8.7887 125.5696 54.6224 39.8725 171.6360 52 I 4.3035 8.3604 126.8728 60.1922 38.5315 176.5094 53 V 4.2490 9.1253 128.7736 61.6487 31.0842 175.4601 54 D 4.7592 8.6430 126.3780 52.8099 40.6263 175.8045 55 L 5.2921 7.8385 120.5573 53.0546 43.4676 175.6972 56 I 4.7317 8.3593 117.0806 57.9428 41.4056 173.1739 57 P 4.8452 0.0000 0.0000 63.0923 31.9295 175.7787 58 K 4.7630 9.1972 122.4013 54.8299 37.4961 174.9553 59 V 4.8091 8.6702 120.7876 61.0910 34.4210 173.9475 60 K 4.9220 9.0275 129.5421 55.0624 34.0111 174.6720 61 I 4.8597 8.7977 129.1477 59.7152 39.6513 174.5208 62 E 5.1604 9.3959 126.2493 54.4217 32.8956 174.6714 63 L 4.9098 8.9150 126.2541 53.2200 45.4119 174.9855 64 V 4.7413 8.5107 126.4116 61.7667 32.6610 175.0902 65 V 4.6925 8.7054 120.4542 58.9097 36.5435 175.3979 66 K 4.3901 8.6703 121.3397 56.5727 32.6269 178.1109 67 E 3.9481 9.1024 122.2876 59.8013 28.9800 179.5456 68 E 4.0845 8.1795 116.6580 58.5363 30.0495 177.6447 69 D 4.7256 8.1179 118.7545 54.5113 41.2051 178.3877 70 V 3.4957 7.4845 120.0976 66.1315 31.5731 177.4953 71 D 4.3147 8.0301 118.0963 57.3807 40.7099 178.2259 72 N 4.3149 8.0601 117.0456 56.5546 39.0126 176.8627 73 V 3.3543 7.6855 119.6437 66.0329 31.4806 178.0104 74 I 3.6224 7.8743 119.6126 64.3776 36.8746 178.0287 75 D 4.3394 8.1524 119.5956 57.5551 40.7294 178.9587 76 I 3.7041 7.7971 120.0048 64.4326 37.1026 178.5572 77 I 3.6486 7.9184 120.6429 64.6506 36.8858 178.2986 78 C 4.1026 8.2248 117.5814 62.7561 27.7202 175.8800 79 E 3.9280 8.0623 119.0187 59.6249 29.2642 178.8197 80 N 4.5892 7.9966 113.1832 54.3823 39.0529 176.4464 81 A 4.4303 7.9204 121.0499 51.8768 20.0895 177.6752 82 R 4.2992 7.1292 113.7717 56.3549 30.1840 176.6337 83 T 4.4202 9.3663 108.3360 60.6395 70.1765 175.1904 84 G 3.9364 8.8170 109.7172 45.1963 0.0000 172.6963 85 N 4.9822 7.7236 117.0373 50.3047 40.9051 172.6628 86 P 4.3021 0.0000 0.0000 64.6867 31.8030 176.8119 87 G 4.0446 8.8760 109.9153 45.5511 0.0000 174.2557 88 D 4.2773 7.3396 121.0093 55.5985 40.9555 174.9740 89 G 4.1745 7.9234 102.0459 44.6751 0.0000 172.4208 90 K 4.5783 8.1528 115.7696 54.6015 36.7099 175.6902 91 I 4.6542 7.9307 122.3734 59.4523 40.1456 174.9843 92 F 5.1746 9.1424 124.5673 55.6707 42.6568 174.0690 93 V 4.8899 8.6291 122.4206 61.2612 33.3880 174.6232 94 I 4.7647 8.8003 129.0153 58.4402 40.4882 173.3327 95 P 4.5934 0.0000 0.0000 62.9337 32.0447 175.6075 96 V 4.3539 8.1065 122.6934 61.4128 32.6002 175.3271 97 E 4.3098 9.0218 127.3311 58.2001 30.1438 176.8371 98 R 4.6510 7.4811 115.2523 54.7871 34.2894 174.0854 99 V 4.5079 8.2864 120.6503 61.1097 34.6983 174.2286 100 V 4.8534 8.3430 126.4242 61.0791 34.9334 174.2800 101 R 4.2961 8.8395 128.2875 55.1947 30.6788 177.0527 102 V 3.5808 8.7124 126.8514 66.1401 31.9259 176.9292 103 R 4.0288 8.2203 118.4052 59.2648 29.8397 177.0199 104 T 4.2951 7.7671 103.6419 60.5704 69.6669 174.8174 105 K 3.9014 8.1423 120.4549 57.0345 30.5245 175.4249 106 E 4.3481 7.5509 116.4811 55.7470 30.5948 175.2254 107 E 4.9758 8.3677 119.4557 55.3941 33.4109 176.2896 108 G 3.8326 8.6464 109.5620 44.1355 0.0000 173.6541 109 K 3.9521 8.7044 118.3044 59.3015 32.5521 179.5651 110 E 3.9275 8.4717 115.7219 59.3444 29.2964 178.0882 111 A 4.0658 7.7803 121.4231 54.6584 18.5198 177.9854 112 L 4.2512 7.4734 120.1919 54.8291 39.9857 177.3823 113 L 4.2115 8.0639 122.3443 54.0199 40.7746 177.0418 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 G 8.34 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 0 S 8.68 4.68 0.00 3.88 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 1 M 9.22 5.18 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 2 K 9.16 4.99 0.00 1.60 1.62 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.49 7.81 3 K 9.30 4.69 0.00 1.79 1.69 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 4 V 8.95 4.68 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 0.92 0.00 0.00 0.87 0.00 0.00 5 E 9.40 5.18 0.00 2.04 1.90 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 2.27 2.30 0.00 6 A 9.16 4.94 1.11 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 7 I 8.53 4.86 1.79 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 1.21 1.12 0.91 0.00 0.00 8 I 8.58 5.08 1.84 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 1.34 0.73 0.86 0.00 0.00 9 R 8.36 4.25 0.00 1.88 2.10 0.00 3.13 0.00 0.00 3.51 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 10 P 0.00 4.23 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 11 E 8.12 4.19 0.00 2.07 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 2.27 2.27 0.00 12 K 8.05 4.37 0.00 1.91 1.85 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.74 7.81 13 L 7.66 3.93 0.00 1.83 1.76 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.09 3.95 0.00 2.01 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 2.40 2.31 0.00 15 I 7.65 3.69 1.87 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 1.52 1.44 0.98 0.00 0.00 16 V 7.85 3.56 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 1.00 0.00 0.00 0.94 0.00 0.00 17 K 8.44 3.93 0.00 1.98 1.95 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 K 8.45 4.24 0.00 1.94 1.96 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.32 7.81 19 A 8.17 4.04 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 20 L 8.27 4.13 0.00 1.91 2.01 0.92 1.00 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 21 S 8.29 4.24 0.00 4.05 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 0.00 22 D 8.49 4.40 0.00 2.77 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 23 A 7.47 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 24 G 7.87 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 0.00 0.00 0.00 25 Y 7.43 4.54 0.00 3.07 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 26 V 8.16 3.96 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 0.81 0.00 0.00 0.93 0.00 0.00 27 G 8.02 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 0.00 0.00 0.00 28 M 8.21 5.09 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 29 T 8.95 4.70 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 30 V 8.41 5.05 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 9.02 4.79 0.00 3.87 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 32 E 8.77 4.61 0.00 1.88 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 2.29 2.28 0.00 33 V 8.65 4.66 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 0.75 0.00 0.00 0.95 0.00 0.00 34 K 8.68 5.04 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.26 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 0.00 0.00 0.00 0.00 36 R 8.19 5.13 0.00 1.87 1.82 0.00 3.02 0.00 0.00 2.79 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 37 G 8.43 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 0.00 0.00 0.00 0.00 38 V 8.59 3.48 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 0.71 0.00 0.00 0.94 0.00 0.00 39 Q 7.29 3.53 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 40 G 8.60 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 0.00 0.00 0.00 41 G 7.94 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 42 I 8.09 3.95 1.87 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 1.16 0.70 0.91 0.00 0.00 43 V 8.38 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 44 E 8.16 4.83 0.00 1.88 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 2.16 2.09 0.00 45 R 8.37 5.15 0.00 1.87 1.91 0.00 2.99 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 46 Y 8.51 4.68 0.00 2.96 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 47 R 8.84 3.40 0.00 0.67 1.45 0.00 3.28 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 48 G 8.14 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 49 R 7.92 4.44 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 50 E 8.67 5.09 0.00 1.74 1.72 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 2.14 1.86 0.00 *51 Y 8.79 4.57 0.00 1.94 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 0.00 0.00 0.00 0.00 52 I 8.36 4.30 1.88 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 1.24 0.96 0.96 0.00 0.00 53 V 9.13 4.25 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 0.98 0.00 0.00 0.93 0.00 0.00 54 D 8.64 4.76 0.00 2.89 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 55 L 7.84 5.29 0.00 1.51 1.63 0.93 0.77 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 56 I 8.36 4.73 1.87 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 1.23 1.16 0.91 0.00 0.00 57 P 0.00 4.85 0.00 1.96 2.03 0.00 3.62 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 2.02 2.12 0.00 58 K 9.20 4.76 0.00 1.61 1.76 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.51 7.81 59 V 8.67 4.81 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 1.03 0.00 0.00 0.93 0.00 0.00 60 K 9.03 4.92 0.00 1.87 1.67 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 I 8.80 4.86 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.90 0.00 0.00 62 E 9.40 5.16 0.00 1.83 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 2.23 2.22 0.00 63 L 8.92 4.91 0.00 1.68 1.40 0.91 0.61 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 64 V 8.51 4.74 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 0.91 0.00 0.00 0.94 0.00 0.00 65 V 8.71 4.69 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 0.54 0.00 0.00 0.84 0.00 0.00 66 K 8.67 4.39 0.00 1.86 1.96 0.00 1.89 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.10 3.95 0.00 2.18 2.32 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 2.30 2.34 0.00 68 E 8.18 4.08 0.00 2.16 2.15 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 2.31 2.37 0.00 69 D 8.12 4.73 0.00 2.87 2.79 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 0.00 0.00 0.00 0.00 70 V 7.48 3.50 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 1.08 0.00 0.00 0.93 0.00 0.00 71 D 8.03 4.31 0.00 2.76 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 72 N 8.06 4.31 0.00 2.89 3.02 0.00 0.00 6.82 7.71 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 73 V 7.69 3.35 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 0.86 0.00 0.00 0.09 0.00 0.00 74 I 7.87 3.62 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.88 0.00 0.00 75 D 8.15 4.34 0.00 2.93 2.72 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 76 I 7.80 3.70 2.02 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 1.57 0.91 1.00 0.00 0.00 77 I 7.92 3.65 1.95 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 1.48 0.71 0.86 0.00 0.00 78 C 8.22 4.10 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 79 E 8.06 3.93 0.00 2.13 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 2.35 2.50 0.00 80 N 8.00 4.59 0.00 2.77 2.86 0.00 0.00 7.01 7.37 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 81 A 7.92 4.43 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 82 R 7.13 4.30 0.00 1.89 2.02 0.00 3.09 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 83 T 9.37 4.42 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 1.20 0.00 0.00 84 G 8.82 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 0.00 0.00 0.00 85 N 7.72 4.98 0.00 2.76 2.71 0.00 0.00 6.93 8.09 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 86 P 0.00 4.30 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 87 G 8.88 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 0.00 0.00 0.00 0.00 88 D 7.34 4.28 0.00 2.68 2.72 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 89 G 7.92 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 0.00 0.00 0.00 0.00 90 K 8.15 4.58 0.00 1.04 1.14 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.41 7.81 91 I 7.93 4.65 1.75 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 1.21 0.47 0.88 0.00 0.00 92 F 9.14 5.17 0.00 2.89 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 93 V 8.63 4.89 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.80 4.76 1.89 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 1.28 0.72 0.91 0.00 0.00 95 P 0.00 4.59 0.00 2.07 2.06 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.11 4.35 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 0.84 0.00 0.00 0.94 0.00 0.00 97 E 9.02 4.31 0.00 2.00 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 2.28 2.32 0.00 98 R 7.48 4.65 0.00 1.75 1.78 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 99 V 8.29 4.51 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 0.99 0.00 0.00 0.94 0.00 0.00 100 V 8.34 4.85 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 0.86 0.00 0.00 0.93 0.00 0.00 101 R 8.84 4.30 0.00 1.92 1.79 0.00 3.16 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 102 V 8.71 3.58 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 0.82 0.00 0.00 0.93 0.00 0.00 103 R 8.22 4.03 0.00 1.81 1.95 0.00 3.26 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 7.77 4.30 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 0.00 105 K 8.14 3.90 0.00 1.95 1.96 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.36 7.81 106 E 7.55 4.35 0.00 2.19 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 2.28 2.24 0.00 107 E 8.37 4.98 0.00 1.89 1.80 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 2.18 2.45 0.00 108 G 8.65 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 0.00 109 K 8.70 3.95 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.39 7.81 110 E 8.47 3.93 0.00 2.11 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 0.00 2.37 2.34 0.00 111 A 7.78 4.07 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 0.00 0.00 112 L 7.47 4.25 0.00 1.66 1.79 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.06 4.21 0.00 1.70 1.43 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.