NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3017 8.3149 120.0851 56.5453 33.0186 174.2460 4 I 4.3088 7.6913 124.4681 59.2267 40.2211 171.2725 5 R 4.9492 8.5018 126.1111 55.6987 31.6274 176.0635 6 I 5.6436 7.5716 115.3827 60.1359 38.1907 174.0213 7 K 4.9710 8.1858 129.4225 56.7323 33.8326 175.5579 8 L 5.0911 8.4037 123.1146 52.9476 45.5068 175.9291 9 R 5.3196 8.2273 118.7793 54.1722 32.3165 174.0980 10 G 4.3278 8.5625 110.2524 44.2828 0.0000 172.0146 11 F 5.0689 8.7984 117.2424 58.3201 39.9203 175.6458 12 D 5.0864 7.9976 120.8776 52.5970 42.9901 175.4679 13 H 4.7143 8.6282 121.7170 55.0851 29.2573 175.3674 14 K 4.5165 8.0658 118.5190 57.7611 39.8052 178.3998 15 T 3.9364 7.9117 112.1477 64.1167 66.9845 175.8196 16 L 4.3383 7.6455 119.9672 56.7723 42.5530 177.9556 17 D 4.4968 8.0803 115.0756 55.6491 40.9518 176.9279 18 A 4.5021 7.6022 120.7693 53.8209 20.2958 178.8288 19 S 4.0654 7.5643 108.3589 60.2831 62.3428 174.5731 20 A 4.5545 8.2825 122.0990 53.2528 20.2443 178.2143 21 Q 4.1187 8.0420 116.0622 58.2562 28.9179 178.0090 22 K 4.0059 7.8918 119.5854 59.6604 32.2629 178.7817 23 I 3.7786 7.6598 118.9569 63.6037 37.1334 178.2305 24 V 3.7211 7.3812 119.4345 65.7610 31.5611 177.3754 25 E 4.3655 7.8357 116.9353 57.8142 29.5482 177.9079 26 A 4.1864 8.0739 118.3807 52.4739 18.3383 177.6014 27 A 4.5022 8.0725 122.7904 54.3233 21.5953 179.7056 28 R 3.9361 7.5951 112.6590 59.0614 30.2128 177.1102 29 R 4.5207 7.6042 116.0755 55.9414 30.7495 176.4256 30 S 5.1309 7.7290 118.2760 58.4970 64.1058 176.0393 31 G 4.1974 8.3546 109.3619 44.1165 0.0000 171.8911 32 A 4.1574 8.3371 121.9733 51.6932 18.7250 178.2223 33 Q 3.8803 8.5868 120.0818 57.0824 29.2052 176.1731 34 V 3.4766 7.6691 120.6936 62.7033 32.4679 172.3177 35 S 4.4190 9.3402 118.0063 57.9777 62.6123 174.7813 36 G 3.8913 7.7099 114.3317 44.0783 0.0000 170.9418 37 P 4.9138 0.0000 0.0000 62.2195 32.5327 175.5381 38 I 4.2826 8.2883 124.1589 59.9471 39.7562 172.6383 39 P 4.2358 0.0000 0.0000 62.9708 30.7209 177.3743 40 L 4.0339 9.2374 113.7637 53.6032 41.8863 172.3711 41 P 4.3121 0.0000 0.0000 63.8136 31.5636 175.3127 42 T 4.5719 8.2655 116.1454 62.5617 70.9306 174.2708 43 R 4.5638 8.4758 125.1623 55.1246 30.7068 175.5441 44 V 4.2513 8.1659 124.2463 62.0203 33.1392 175.3354 45 R 4.4773 8.1751 125.8335 54.5794 32.9579 175.0762 46 R 5.0043 8.3396 122.7803 54.9627 32.6568 175.9871 47 F 4.7233 9.8330 120.1367 56.2327 43.1637 173.9846 48 T 4.8273 8.8617 120.2316 62.0042 69.9882 173.4034 49 V 4.4698 7.6564 126.3662 60.5405 34.8216 175.1352 50 I 3.9899 8.4412 126.8381 61.7360 36.7993 176.2319 51 R 3.7611 7.6128 124.7048 59.0186 30.2067 177.3582 52 G 4.0363 7.5774 106.0698 43.2680 0.0000 171.1388 53 P 4.3708 0.0000 0.0000 61.8796 32.4402 176.2172 54 F 3.3549 9.7275 114.1566 59.8883 37.7441 175.6528 55 K 3.1176 8.6977 129.4947 58.9315 33.0542 173.6303 56 H 4.0347 8.3494 106.5547 57.5098 25.5768 176.0260 57 K 4.3320 8.0891 113.2820 57.9748 32.3799 176.8283 58 D 4.8493 7.8552 117.6558 54.2777 40.4302 176.4378 59 S 4.3739 7.4209 111.1451 54.8878 65.7270 174.7486 60 R 4.9972 7.9219 126.1011 55.9753 27.2628 172.5179 61 E 3.5977 7.6436 124.2082 55.6266 30.8619 172.4810 62 H 5.3038 8.3473 121.4549 54.1873 31.2453 173.9606 63 F 5.5688 9.0798 120.4509 55.7589 42.3141 173.9724 64 E 5.2085 9.1014 120.3741 54.5897 32.4139 175.5986 65 L 4.6665 9.2019 124.6622 53.0218 42.3570 173.4621 66 R 4.3253 8.0423 117.8960 55.5849 31.2095 176.7162 67 T 4.6186 8.5277 121.4224 62.5281 69.6916 174.2704 68 H 4.9955 8.7734 124.1338 54.9669 30.4018 174.5363 69 N 5.6178 8.6261 116.4041 51.8507 42.5951 173.8354 70 R 4.6648 9.1478 120.1011 54.8179 33.0733 173.3485 71 L 4.2133 8.7867 118.2644 54.5471 44.1741 180.0715 72 V 3.6897 8.2858 122.4796 62.4166 29.8895 169.7267 73 D 4.9946 8.8525 129.8973 54.3096 37.8838 172.3899 74 I 4.2401 7.9432 123.9906 59.7273 37.1233 176.2189 75 I 3.6432 8.1169 126.6188 62.0761 38.2180 171.5249 76 N 4.2704 9.0024 131.0159 52.0651 35.4578 173.1035 77 P 4.5682 0.0000 0.0000 62.6283 28.7838 175.1600 78 N 4.5595 7.7915 120.5719 54.5306 40.1004 174.5917 79 R 4.4273 8.3470 114.4920 58.1687 31.9179 178.9218 80 K 4.9132 7.7703 117.2023 58.7587 32.5845 178.8998 81 T 4.5056 7.7615 114.2833 66.1982 68.4959 175.6465 82 I 3.8900 7.3643 119.4753 62.8846 36.9298 176.7437 83 E 4.1653 7.2611 122.1283 58.3190 29.8296 178.1977 84 Q 4.1977 7.9495 120.3618 58.0928 29.4192 176.6574 85 L 4.8526 7.5303 117.9859 54.9281 42.1322 176.1783 86 M 4.6145 7.6630 117.6681 57.2959 34.8033 176.2660 87 T 4.4420 7.4466 112.4628 62.7104 70.0013 173.3695 88 L 4.6234 8.0237 118.5384 54.4003 42.1593 176.5898 89 D 4.6820 7.8337 118.8424 53.8522 39.8692 175.5474 90 L 4.6303 7.9490 114.4082 54.3965 46.8779 174.8813 91 P 4.5383 0.0000 0.0000 62.8134 32.1419 175.8709 92 T 4.3520 8.5192 115.5772 64.1293 71.1353 175.5070 93 G 4.0768 7.3009 109.9990 44.0299 0.0000 171.9508 94 V 4.5157 7.0389 116.9107 61.2333 36.1753 174.5848 95 E 4.7172 8.4346 123.3355 54.4224 33.1272 174.6532 96 I 4.8323 8.2328 125.7675 59.8905 40.6355 174.2578 97 E 4.5345 8.6238 127.3048 55.1717 31.3533 175.4671 98 I 4.6524 8.2301 124.2315 59.1729 39.1529 176.8695 99 K 4.7211 8.9848 128.9827 56.3637 32.5870 176.0940 100 T 4.0665 7.7877 116.6035 61.0417 69.9878 177.1887 *101 V 3.9936 8.0884 115.6663 62.3783 32.3498 174.6366 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 3 K 8.31 4.30 0.00 1.66 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 4 I 7.69 4.31 1.96 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 1.34 0.91 0.91 0.00 0.00 5 R 8.50 4.95 0.00 2.05 1.86 0.00 3.41 0.00 0.00 3.35 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.47 0.00 6 I 7.57 5.64 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 1.51 0.23 0.96 0.00 0.00 7 K 8.19 4.97 0.00 1.74 1.77 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.70 1.32 7.81 8 L 8.40 5.09 0.00 1.56 1.52 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.23 5.32 0.00 1.85 2.01 0.00 3.20 0.00 0.00 3.26 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 10 G 8.56 4.33 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 0.00 11 F 8.80 5.07 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 12 D 8.00 5.09 0.00 2.72 2.53 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 13 H 8.63 4.71 0.00 3.17 2.98 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.07 4.52 0.00 1.94 1.75 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.05 7.81 15 T 7.91 3.94 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 1.35 0.00 0.00 16 L 7.65 4.34 0.00 1.73 1.68 1.02 1.13 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 17 D 8.08 4.50 0.00 2.61 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 18 A 7.60 4.50 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 19 S 7.56 4.07 0.00 3.95 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 20 A 8.28 4.55 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 Q 8.04 4.12 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 22 K 7.89 4.01 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.83 7.81 23 I 7.66 3.78 1.87 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 1.52 0.33 0.91 0.00 0.00 24 V 7.38 3.72 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 1.03 0.00 0.00 0.99 0.00 0.00 25 E 7.84 4.37 0.00 2.11 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 2.28 2.31 0.00 26 A 8.07 4.19 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 27 A 8.07 4.50 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 28 R 7.60 3.94 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 29 R 7.60 4.52 0.00 1.79 1.94 0.00 3.35 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 30 S 7.73 5.13 0.00 3.97 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 31 G 8.35 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 32 A 8.34 4.16 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 33 Q 8.59 3.88 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.10 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 34 V 7.67 3.48 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 0.96 0.00 0.00 0.97 0.00 0.00 35 S 9.34 4.42 0.00 4.29 3.87 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 0.00 0.00 0.00 36 G 7.71 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 37 P 0.00 4.91 0.00 2.09 2.07 0.00 3.72 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 1.97 1.99 0.00 38 I 8.29 4.28 1.88 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 1.40 0.87 0.92 0.00 0.00 39 P 0.00 4.24 0.00 2.09 1.97 0.00 3.74 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 2.00 2.03 0.00 40 L 9.24 4.03 0.00 1.73 2.10 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.31 0.00 2.17 2.09 0.00 3.76 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 2.00 2.02 0.00 42 T 8.27 4.57 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 1.12 0.00 0.00 43 R 8.48 4.56 0.00 1.82 1.90 0.00 3.12 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 44 V 8.17 4.25 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 0.79 0.00 0.00 0.96 0.00 0.00 45 R 8.18 4.48 0.00 1.82 1.52 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 46 R 8.34 5.00 0.00 1.53 1.75 0.00 3.28 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 47 F 9.83 4.72 0.00 3.13 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 48 T 8.86 4.83 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 49 V 7.66 4.47 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 1.00 0.00 0.00 1.04 0.00 0.00 50 I 8.44 3.99 1.87 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 1.39 0.64 1.03 0.00 0.00 51 R 7.61 3.76 0.00 1.82 1.95 0.00 3.11 0.00 0.00 3.19 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 52 G 7.58 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 53 P 0.00 4.37 0.00 2.28 2.15 0.00 3.93 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 54 F 9.73 3.35 0.00 3.02 3.17 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 55 K 8.70 3.12 0.00 1.62 0.92 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.05 0.97 7.81 56 H 8.35 4.03 0.00 3.37 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.09 4.33 0.00 1.80 1.85 0.00 1.40 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.48 7.81 58 D 7.86 4.85 0.00 2.65 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 59 S 7.42 4.37 0.00 3.89 3.73 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 60 R 7.92 5.00 0.00 1.85 2.10 0.00 3.39 0.00 0.00 3.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 61 E 7.64 3.60 0.00 2.01 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 0.00 1.61 2.10 0.00 62 H 8.35 5.30 0.00 3.02 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.08 5.57 0.00 3.28 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 64 E 9.10 5.21 0.00 1.94 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 2.22 2.30 0.00 65 L 9.20 4.67 0.00 1.74 1.62 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.04 4.33 0.00 1.75 1.89 0.00 3.09 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 67 T 8.53 4.62 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 1.31 0.00 0.00 68 H 8.77 5.00 0.00 3.31 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.63 5.62 0.00 2.57 2.68 0.00 0.00 6.73 7.66 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 70 R 9.15 4.66 0.00 1.66 1.78 0.00 3.37 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 71 L 8.79 4.21 0.00 1.85 1.54 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.29 3.69 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 1.19 0.00 0.00 0.93 0.00 0.00 73 D 8.85 4.99 0.00 3.00 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 74 I 7.94 4.24 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 1.30 0.48 0.91 0.00 0.00 75 I 8.12 3.64 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 1.41 0.74 0.93 0.00 0.00 76 N 9.00 4.27 0.00 3.00 3.01 0.00 0.00 7.10 8.02 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 77 P 0.00 4.57 0.00 2.17 2.10 0.00 3.77 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 1.99 1.99 0.00 78 N 7.79 4.56 0.00 2.73 2.84 0.00 0.00 7.09 7.66 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 79 R 8.35 4.43 0.00 1.84 1.92 0.00 3.13 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 80 K 7.77 4.91 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 81 T 7.76 4.51 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 82 I 7.36 3.89 2.03 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 1.29 0.56 0.91 0.00 0.00 83 E 7.26 4.17 0.00 2.30 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 84 Q 7.95 4.20 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.47 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 85 L 7.53 4.85 0.00 1.76 1.64 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.66 4.61 0.00 1.90 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 87 T 7.45 4.44 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 88 L 8.02 4.62 0.00 1.61 1.65 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.83 4.68 0.00 2.77 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 90 L 7.95 4.63 0.00 1.59 1.67 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.54 0.00 2.15 2.13 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 92 T 8.52 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 1.20 0.00 0.00 93 G 7.30 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 94 V 7.04 4.52 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 0.78 0.00 0.00 0.95 0.00 0.00 95 E 8.43 4.72 0.00 2.07 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 0.00 2.15 2.21 0.00 96 I 8.23 4.83 1.86 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 1.33 0.75 0.90 0.00 0.00 97 E 8.62 4.53 0.00 1.91 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 2.27 2.27 0.00 98 I 8.23 4.65 1.87 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 1.34 0.44 0.91 0.00 0.00 99 K 8.98 4.72 0.00 1.51 1.69 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 100 T 7.79 4.07 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 *101 V 8.09 3.99 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 * Residues marked with a * may have inaccurate shift predictions.