NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6243 8.0232 122.2807 52.2715 20.7379 175.4357 3 T 4.5754 8.3844 117.2357 61.1055 71.3287 171.8737 4 L 5.1271 9.3286 126.9624 53.2687 45.5799 174.4040 5 L 4.8478 9.1883 129.5113 53.8042 44.0257 174.6664 6 Q 5.1657 8.9754 128.7511 54.3612 31.1207 174.1098 7 L 5.4348 8.9564 126.2408 55.2031 44.6922 174.2946 8 H 4.6818 8.7672 114.4049 55.3977 32.6005 171.7508 9 F 4.9522 7.9656 113.2175 55.8179 41.3868 173.1950 10 A 4.6559 8.9532 120.7857 52.5757 19.0252 176.8859 11 F 4.7691 8.5505 117.9227 58.1269 42.5032 173.5213 12 N 4.7951 8.1034 122.4428 54.2444 40.5693 174.5283 13 G 3.2053 5.6612 105.1065 41.9539 0.0000 170.9562 14 P 4.2357 0.0000 0.0000 62.9479 31.7515 175.6655 15 F 5.1383 8.2315 117.9339 56.1432 43.7558 176.2497 16 G 3.9817 8.9500 111.4099 47.2496 0.0000 175.4582 17 D 4.3801 8.7290 119.7426 57.1443 41.1497 178.3190 18 A 3.9829 7.7200 117.3882 53.3022 18.2662 178.6946 *20 A 4.0335 8.0043 122.6287 53.4682 20.4693 178.9252 21 E 3.9675 8.6663 116.7927 59.4491 30.0873 178.3873 22 Q 3.9608 8.3886 119.1932 59.3118 29.3063 177.6212 23 L 4.4081 7.7004 114.8208 54.6241 42.2596 178.1463 24 K 3.6707 7.7690 122.0430 59.2369 31.7442 176.6205 25 P 4.2615 0.0000 0.0000 65.6387 31.1445 178.0485 26 L 4.0380 8.0801 116.8360 58.2768 42.2760 178.4810 27 A 4.5786 8.0507 120.4945 55.2918 18.2123 179.2711 28 E 4.4556 8.3115 116.8495 57.9139 29.9029 178.6072 29 S 4.3026 7.8605 115.0108 60.3561 63.3675 176.1500 30 I 3.8136 7.5133 123.6300 63.8938 36.6432 177.5197 31 N 4.5170 7.6776 116.8543 55.4788 38.5009 176.2589 32 Q 4.3924 7.3711 114.4165 56.1945 29.3506 176.1394 33 E 4.2157 8.0528 119.1637 55.4298 30.0909 174.6002 34 P 4.4755 0.0000 0.0000 63.8464 31.9131 177.2312 35 G 4.1986 9.0737 110.2145 46.1609 0.0000 172.6337 36 F 3.7294 7.8469 122.3241 57.8397 39.9620 174.0612 37 L 4.3219 6.6066 127.3053 55.3867 43.5744 176.2327 38 W 4.2242 5.7749 112.7353 55.9836 30.9960 172.8026 39 K 4.9367 8.9704 120.0555 55.1826 34.9902 174.8245 40 V 4.5375 8.6347 126.6286 60.8616 33.7765 174.5044 41 W 4.7166 9.2150 128.9388 56.6382 29.8032 175.8065 42 T 4.9479 8.7651 115.2103 60.0311 71.0579 172.9859 43 E 5.2146 8.6175 120.3251 55.6633 33.0385 175.1290 44 S 4.2353 9.5553 117.1251 57.0838 64.3422 173.9948 45 E 2.5400 8.2879 128.8859 58.1471 29.8460 178.7689 46 K 3.6597 7.9091 118.6749 59.3324 32.0860 176.8011 47 N 4.6236 7.6142 111.4589 52.5865 39.5941 174.7044 48 H 4.3494 7.6488 115.4588 56.3611 26.5288 173.0869 49 E 5.3087 8.9546 119.0368 55.5977 34.4295 174.4288 50 A 4.8931 7.6286 122.2469 51.1645 23.2041 176.1450 51 G 3.5297 8.0048 105.3798 47.4289 0.0000 172.0711 52 G 4.0840 7.9876 106.0547 45.7189 0.0000 172.9510 53 I 5.1042 8.0804 122.0540 59.7754 39.6007 174.4465 54 Y 4.8166 9.4207 125.4610 55.8663 41.4211 175.0169 55 L 4.7525 7.3485 123.7544 53.4231 44.7128 175.6139 56 F 5.0352 8.8105 125.4186 55.8876 41.7693 177.2763 57 T 4.1462 9.0309 111.1980 64.7931 69.8178 174.0094 58 D 4.6489 8.1483 119.1290 50.9840 42.0822 175.7861 59 E 3.8352 8.9020 119.6022 59.7574 29.3204 179.3843 60 K 3.7248 8.1829 118.5470 59.9049 31.9465 178.3944 61 S 4.0207 8.1971 114.1190 61.5338 62.7505 176.3380 62 A 2.5800 7.5517 122.9903 54.9017 18.1468 179.7808 63 L 3.7462 8.2907 117.3044 57.6717 41.6002 179.7401 64 A 3.9158 7.8365 120.9839 55.1892 18.3093 179.0971 65 Y 3.8382 7.6535 117.9207 60.5208 38.8419 177.7231 66 L 3.7038 7.8654 121.6581 57.9307 42.1101 178.6436 67 E 3.8153 8.0557 119.3655 58.8068 29.4154 178.7313 68 K 3.8670 7.7013 119.6645 59.6769 32.3192 178.3196 69 H 3.8901 7.9876 118.6773 59.5643 29.5000 177.1511 70 T 3.6555 7.4351 115.9138 66.5158 68.4953 176.1804 71 A 4.0291 7.4650 121.3057 55.1879 18.5865 180.0014 72 R 3.9072 7.6570 114.0397 58.9504 29.4609 178.7386 73 L 3.9080 7.8436 119.7373 57.0851 41.4574 179.2692 74 K 4.0834 7.9104 118.8000 59.2067 31.6249 178.9985 75 N 4.3317 7.7161 116.3617 56.3128 38.5269 176.0627 76 L 4.2325 7.8299 114.4549 55.0387 41.6141 177.0287 77 G 3.7403 7.9523 106.7599 46.4658 0.0000 174.9914 78 V 4.0133 7.4306 121.4489 60.3560 29.7103 175.2685 79 E 3.8754 8.1922 123.3805 58.3708 29.9461 176.7782 80 E 4.7148 7.7593 119.2571 54.1621 32.8532 175.1908 81 V 4.5732 8.2889 123.2729 61.0835 34.7456 175.0422 82 V 4.2718 8.5557 126.8845 61.6526 32.4563 174.4779 83 A 5.3959 8.4469 128.6178 50.3965 22.7628 174.9542 84 K 4.2719 8.5019 116.8354 55.0537 37.1553 175.3724 85 V 4.5712 7.8999 124.4645 61.1750 33.2401 174.5531 86 F 5.3140 9.0277 125.8008 55.9325 43.1338 173.8984 87 D 5.1597 8.8626 119.6634 53.2158 42.8013 176.0201 88 V 4.2606 7.8795 121.1966 61.6018 33.6158 176.3432 89 N 4.6456 8.6605 125.8656 52.0862 38.3567 175.0652 90 E 3.9803 8.5761 127.0023 58.8294 29.5580 176.9515 91 P 4.2244 0.0000 0.0000 65.8281 31.6915 178.3226 92 L 4.1398 7.8627 117.5248 57.9490 41.4004 179.7455 93 S 4.1794 8.1925 115.0944 61.8005 62.7709 176.8716 94 Q 4.0169 8.1269 120.6478 58.8860 28.2035 178.6557 95 I 3.8181 7.4433 119.8942 63.4511 37.0847 176.6481 96 N 4.8771 7.4732 114.6658 52.9809 38.8502 174.9330 97 Q 4.0885 7.9648 120.6812 55.7998 30.1547 175.4039 98 A 4.1138 8.0195 124.0637 52.5729 18.7730 176.0907 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 A 8.02 4.62 1.34 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 3 T 8.38 4.58 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 1.21 0.00 0.00 4 L 9.33 5.13 0.00 1.67 1.62 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.19 4.85 0.00 1.83 1.72 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.98 5.17 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 7 L 8.96 5.43 0.00 2.01 1.76 1.20 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.77 4.68 0.00 3.18 3.30 0.00 5.30 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.97 4.95 0.00 3.13 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 10 A 8.95 4.66 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 11 F 8.55 4.77 0.00 3.35 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 12 N 8.10 4.80 0.00 2.49 2.72 0.00 0.00 6.98 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 13 G 5.66 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 0.00 0.00 0.00 14 P 0.00 4.24 0.00 2.06 2.01 0.00 3.74 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 2.06 2.10 0.00 15 F 8.23 5.14 0.00 3.20 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 16 G 8.95 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 0.00 0.00 0.00 17 D 8.73 4.38 0.00 2.73 2.73 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 0.00 0.00 0.00 0.00 18 A 7.72 3.98 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 *20 A 8.00 4.03 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 21 E 8.67 3.97 0.00 1.94 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 0.00 2.29 2.23 0.00 22 Q 8.39 3.96 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 23 L 7.70 4.41 0.00 1.48 1.65 1.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.77 3.67 0.00 1.89 1.86 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 25 P 0.00 4.26 0.00 2.22 2.10 0.00 3.77 0.00 0.00 3.67 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 26 L 8.08 4.04 0.00 1.80 2.08 1.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.05 4.58 1.34 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 28 E 8.31 4.46 0.00 2.19 2.24 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 2.59 2.31 0.00 29 S 7.86 4.30 0.00 4.07 4.31 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 30 I 7.51 3.81 1.89 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 1.58 1.05 -0.07 0.00 0.00 31 N 7.68 4.52 0.00 2.91 2.98 0.00 0.00 6.90 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 32 Q 7.37 4.39 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 33 E 8.05 4.22 0.00 2.03 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 2.41 2.53 0.00 34 P 0.00 4.48 0.00 2.13 2.06 0.00 3.86 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 2.09 2.14 0.00 35 G 9.07 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 36 F 7.85 3.73 0.00 2.74 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 37 L 6.61 4.32 0.00 1.22 1.49 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 W 5.77 4.22 0.00 3.21 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 39 K 8.97 4.94 0.00 1.57 1.74 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.73 0.40 7.81 40 V 8.63 4.54 2.25 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 1.01 0.00 0.00 1.13 0.00 0.00 41 W 9.22 4.72 0.00 3.18 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 42 T 8.77 4.95 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 1.30 0.00 0.00 43 E 8.62 5.21 0.00 2.37 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 2.32 2.43 0.00 44 S 9.56 4.24 0.00 3.83 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 45 E 8.29 2.54 0.00 1.16 1.44 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 2.05 1.74 0.00 46 K 7.91 3.66 0.00 1.65 1.74 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 47 N 7.61 4.62 0.00 2.79 2.85 0.00 0.00 7.21 8.04 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 48 H 7.65 4.35 0.00 3.46 3.58 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.95 5.31 0.00 2.06 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 2.36 2.43 0.00 50 A 7.63 4.89 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 51 G 8.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 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 0.00 0.00 0.00 53 I 8.08 5.10 2.03 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 1.29 1.07 1.02 0.00 0.00 54 Y 9.42 4.82 0.00 2.93 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 55 L 7.35 4.75 0.00 0.27 0.13 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.81 5.04 0.00 3.02 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 57 T 9.03 4.15 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 1.26 0.00 0.00 58 D 8.15 4.65 0.00 2.80 2.78 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 59 E 8.90 3.84 0.00 2.00 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 0.00 2.39 2.40 0.00 60 K 8.18 3.72 0.00 1.79 2.00 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 61 S 8.20 4.02 0.00 4.15 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 62 A 7.55 2.58 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 63 L 8.29 3.75 0.00 1.54 1.62 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.84 3.92 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 65 Y 7.65 3.84 0.00 3.03 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 66 L 7.87 3.70 0.00 1.72 1.65 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.06 3.82 0.00 1.99 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 2.21 2.22 0.00 68 K 7.70 3.87 0.00 1.77 1.67 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.36 7.81 69 H 7.99 3.89 0.00 2.01 2.75 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.44 3.66 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 1.11 0.00 0.00 71 A 7.47 4.03 1.29 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 0.00 0.00 0.00 72 R 7.66 3.91 0.00 1.96 2.15 0.00 2.79 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 73 L 7.84 3.91 0.00 1.60 1.32 0.49 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.91 4.08 0.00 1.91 1.80 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.60 7.81 75 N 7.72 4.33 0.00 2.90 2.87 0.00 0.00 7.05 7.87 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 76 L 7.83 4.23 0.00 1.81 1.91 0.93 1.11 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 77 G 7.95 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 0.00 0.00 0.00 78 V 7.43 4.01 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 0.45 0.00 0.00 0.74 0.00 0.00 79 E 8.19 3.88 0.00 1.99 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 2.32 2.27 0.00 80 E 7.76 4.71 0.00 1.85 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 0.00 2.16 2.30 0.00 81 V 8.29 4.57 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 0.93 0.00 0.00 0.87 0.00 0.00 82 V 8.56 4.27 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 0.94 0.00 0.00 0.90 0.00 0.00 83 A 8.45 5.40 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 84 K 8.50 4.27 0.00 1.53 0.77 0.00 1.78 0.00 0.00 1.14 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.53 7.81 85 V 7.90 4.57 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 0.79 0.00 0.00 0.80 0.00 0.00 86 F 9.03 5.31 0.00 3.05 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 87 D 8.86 5.16 0.00 2.61 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 V 7.88 4.26 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 0.78 0.00 0.00 1.05 0.00 0.00 89 N 8.66 4.65 0.00 2.79 2.71 0.00 0.00 7.18 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 90 E 8.58 3.98 0.00 2.03 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 2.43 2.39 0.00 91 P 0.00 4.22 0.00 2.02 2.12 0.00 3.89 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 2.04 2.19 0.00 92 L 7.86 4.14 0.00 1.66 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.19 4.18 0.00 4.06 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 94 Q 8.13 4.02 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 95 I 7.44 3.82 2.04 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 0.65 0.90 0.00 0.00 96 N 7.47 4.88 0.00 2.64 2.79 0.00 0.00 6.88 7.55 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 97 Q 7.96 4.09 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 98 A 8.02 4.11 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.