NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3717 8.1233 123.5921 52.2573 20.9488 179.0949 5 F 4.2896 8.1342 114.5486 60.2788 38.8312 176.2035 6 K 4.1587 8.4563 118.0667 59.2014 32.3811 178.7303 7 L 4.0164 7.9328 120.3475 57.9907 42.1079 178.6008 8 L 4.1096 8.3361 120.3983 58.3982 42.0788 178.3204 9 Y 4.1473 8.4163 119.4744 60.6995 38.6819 178.0600 10 K 3.9324 8.4998 119.5776 59.9040 32.0627 179.4196 11 T 3.9060 8.0906 115.8681 66.7836 68.1344 176.8230 12 I 3.8388 7.6538 120.7999 64.3371 37.2413 178.0550 13 E 3.9542 8.0848 119.6368 59.3873 29.2463 179.2503 14 E 3.9999 8.4217 118.6932 59.3146 29.2316 179.5332 15 R 4.1071 7.6624 117.6219 58.6980 30.2360 178.5158 16 K 3.8442 7.7203 119.1565 58.6365 32.0939 178.4194 17 G 3.9426 7.8789 104.5264 45.0426 0.0000 173.7512 18 S 4.6698 7.5805 117.6035 55.2898 62.7604 170.8917 19 P 5.0173 0.0000 0.0000 61.9464 32.1623 177.2692 20 L 4.6431 8.2442 120.9245 52.0152 43.0240 174.9242 21 P 4.5007 0.0000 0.0000 65.5710 31.4988 178.1530 22 E 4.1503 8.1721 116.5652 58.6307 29.9953 178.0220 23 S 4.5345 8.5033 114.7830 57.9585 65.3453 174.6883 24 Y 4.3344 8.6223 124.4318 61.2338 38.7172 178.3805 25 T 3.6099 8.0317 116.3003 66.7417 68.7133 176.2351 26 N 4.6051 8.2259 118.0450 56.2869 38.5549 176.8555 27 Y 4.1163 7.9546 121.0359 60.6298 38.7690 178.2669 28 L 3.6040 7.7820 119.8658 57.7367 41.4588 179.5107 29 F 4.4051 7.5990 116.6871 60.5214 38.8629 177.6169 30 S 4.2789 8.1928 113.5428 61.4564 62.9875 176.4846 31 K 4.0019 7.6695 121.1124 57.2272 32.3728 177.8394 32 G 3.8081 8.3558 106.9709 44.4609 0.0000 172.9590 33 E 3.8772 8.8903 117.7556 59.9758 29.4084 179.1652 34 D 4.3657 8.1034 117.8580 57.1010 40.8354 178.7489 35 K 3.9540 7.9026 119.7815 59.5158 32.2699 179.0147 36 I 3.7153 7.6309 119.6190 64.3964 37.0613 178.2690 37 L 4.0452 8.1241 119.8759 57.7194 41.4430 179.7289 38 K 4.0152 7.9927 118.0406 59.3664 31.8873 179.5627 39 K 4.0013 8.0758 118.8107 59.5013 31.9380 179.4830 40 I 3.8376 7.9829 120.2640 64.2459 37.0473 178.7965 41 G 3.5791 8.1399 106.6771 47.6312 0.0000 175.4034 42 E 3.9253 8.2641 121.8979 59.1966 29.7120 178.8283 43 E 3.9940 8.5068 118.9620 59.4627 29.5424 178.9563 44 C 4.1116 8.3309 118.6963 62.3563 31.6169 175.4922 45 A 4.0213 7.9979 122.3654 55.2352 17.9078 179.5084 46 E 3.9340 8.2078 117.1002 59.2915 29.3536 179.8086 47 V 3.5559 7.7057 118.6499 65.8199 31.6089 178.1549 48 I 3.6798 7.6494 119.3493 64.4752 37.1283 178.4354 49 I 3.6817 7.8777 120.3258 64.3819 37.0570 178.3935 50 A 3.9883 8.1601 121.6559 55.2991 18.1915 179.2480 51 C 4.0814 8.3531 117.4519 62.5984 31.4371 175.9539 52 K 4.1164 7.9961 118.8484 58.8481 31.7330 178.3322 53 N 4.5443 7.8141 114.5464 53.0299 38.7220 174.9379 54 N 4.1383 7.6772 116.5581 54.4666 36.8046 174.9020 55 D 4.6261 7.6353 119.0757 52.7030 40.7790 176.0808 56 K 3.9445 8.3084 126.4381 59.2947 32.2943 178.5746 57 E 3.9388 8.1299 118.2684 59.5059 29.3367 178.9699 58 E 3.9227 8.2778 118.8471 59.0294 29.4427 178.9108 59 V 3.5218 7.5771 117.6628 65.9497 31.6444 177.9055 60 V 3.6716 7.5043 116.7247 65.8779 31.6769 177.8653 61 K 4.1240 7.9465 118.1885 59.3478 31.8353 179.9913 62 E 3.8781 8.2238 117.9569 56.7314 29.4217 179.1115 *64 V 3.7423 7.8421 121.0119 62.8727 33.7636 176.9322 65 D 4.3768 7.9441 118.9995 57.2192 40.9990 178.3073 66 V 3.6760 7.9094 118.9305 66.1413 31.5655 177.9943 67 F 4.3742 7.9455 117.0101 60.7135 38.8150 176.7727 68 Y 4.0226 8.4829 119.5266 61.2322 38.5458 178.0755 69 H 4.0469 8.5396 116.9661 58.8207 28.7459 177.6520 70 C 4.2612 8.4129 118.8649 62.8523 27.9528 176.1461 71 F 4.5939 8.4905 119.5562 60.5761 38.4499 177.8987 72 V 3.4871 7.7901 117.9940 65.8313 31.1696 177.8187 73 L 3.9804 8.2206 120.2795 58.0154 41.8784 178.8640 74 L 4.0168 8.1995 118.7207 57.9145 41.7784 179.2630 75 A 4.0376 8.2804 120.5603 55.3274 18.0896 179.2933 76 E 3.9897 8.5184 116.7720 59.0536 29.8683 178.2775 77 K 4.2712 8.1580 115.4332 55.3035 33.0886 176.1344 78 N 4.1542 7.7807 115.2220 54.6098 36.3068 174.6535 79 I 4.3428 8.0617 118.1627 59.0586 39.4048 176.4585 80 A 4.1381 8.3589 128.6791 51.7280 19.2549 177.8552 81 L 3.3179 8.0034 123.4642 57.8437 41.7600 179.3773 82 E 3.8954 7.8355 116.1567 59.3441 29.7801 178.4529 83 D 4.4641 7.7873 119.6515 57.0083 40.6952 178.9191 84 V 3.7667 7.2483 116.6738 63.4828 31.1330 177.7836 *86 R 4.1870 8.1419 118.6826 55.7234 31.9429 177.5373 87 E 3.8779 7.9233 117.5314 59.2206 29.4641 179.0365 88 V 3.5125 7.9863 118.5171 65.8890 31.5526 178.2324 89 K 3.9452 7.8906 117.7939 59.3137 31.9627 178.7690 90 E 3.8855 8.4751 120.0123 59.3393 29.5132 178.8615 91 R 3.8800 8.2329 118.9759 59.2879 29.8558 178.0020 92 N 4.3751 8.0884 116.3591 56.5970 39.0592 176.7637 93 G 3.7506 7.9978 105.9719 47.7622 0.0000 175.3120 94 K 4.0835 7.7797 119.9307 59.1939 32.1799 177.5883 95 L 4.2991 7.5712 122.0263 55.0036 41.7122 176.7842 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 4 A 8.12 4.37 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 5 F 8.13 4.29 0.00 3.32 3.34 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 6 K 8.46 4.16 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.58 7.81 7 L 7.93 4.02 0.00 1.84 1.73 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.34 4.11 0.00 2.09 2.25 1.15 0.81 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 9 Y 8.42 4.15 0.00 2.89 3.07 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 10 K 8.50 3.93 0.00 2.06 1.89 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.85 7.81 11 T 8.09 3.91 4.47 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 1.28 0.00 0.00 12 I 7.65 3.84 1.97 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 1.56 0.71 0.93 0.00 0.00 13 E 8.08 3.95 0.00 2.04 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 1.55 2.01 0.00 14 E 8.42 4.00 0.00 2.19 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 2.33 2.53 0.00 15 R 7.66 4.11 0.00 2.09 2.16 0.00 3.41 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 16 K 7.72 3.84 0.00 1.09 1.69 0.00 1.05 0.00 0.00 1.36 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.00 0.27 7.81 17 G 7.88 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 18 S 7.58 4.67 0.00 3.97 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 19 P 0.00 5.02 0.00 2.21 2.08 0.00 3.33 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 20 L 8.24 4.64 0.00 1.73 1.90 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.50 0.00 2.07 2.21 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 22 E 8.17 4.15 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 2.38 0.00 23 S 8.50 4.53 0.00 4.09 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 24 Y 8.62 4.33 0.00 3.04 3.07 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 25 T 8.03 3.61 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 1.01 0.00 0.00 26 N 8.23 4.61 0.00 3.00 2.97 0.00 0.00 6.68 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 27 Y 7.95 4.12 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 28 L 7.78 3.60 0.00 1.36 1.28 0.52 0.79 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 29 F 7.60 4.41 0.00 3.14 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 30 S 8.19 4.28 0.00 4.00 4.09 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 0.00 0.00 0.00 0.00 31 K 7.67 4.00 0.00 1.41 1.71 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.86 0.90 7.81 32 G 8.36 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 33 E 8.89 3.88 0.00 2.05 2.00 0.00 0.00 0.00 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 2.46 0.00 34 D 8.10 4.37 0.00 2.71 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 K 7.90 3.95 0.00 1.80 1.85 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.25 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.25 1.51 7.81 36 I 7.63 3.72 1.98 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 1.50 0.85 0.90 0.00 0.00 37 L 8.12 4.05 0.00 1.70 1.73 0.93 0.62 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 38 K 7.99 4.02 0.00 2.03 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 39 K 8.08 4.00 0.00 1.97 1.61 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.68 1.76 7.81 40 I 7.98 3.84 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 0.96 0.00 0.00 41 G 8.14 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.93 0.00 2.13 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 0.00 2.31 2.36 0.00 43 E 8.51 3.99 0.00 2.29 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 2.37 2.51 0.00 44 C 8.33 4.11 0.00 3.04 3.18 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 0.00 0.00 0.00 0.00 45 A 8.00 4.02 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 46 E 8.21 3.93 0.00 2.19 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 2.32 2.53 0.00 47 V 7.71 3.56 2.22 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 1.09 0.00 0.00 0.90 0.00 0.00 48 I 7.65 3.68 2.03 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 1.52 0.90 0.91 0.00 0.00 49 I 7.88 3.68 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 1.45 1.20 0.90 0.00 0.00 50 A 8.16 3.99 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 51 C 8.35 4.08 0.00 3.06 3.08 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 52 K 8.00 4.12 0.00 1.91 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.62 7.81 53 N 7.81 4.54 0.00 2.95 2.85 0.00 0.00 7.02 7.28 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 54 N 7.68 4.14 0.00 2.89 2.91 0.00 0.00 6.83 8.16 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 55 D 7.64 4.63 0.00 2.72 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 0.00 0.00 0.00 0.00 56 K 8.31 3.94 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 57 E 8.13 3.94 0.00 1.99 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 2.38 2.36 0.00 58 E 8.28 3.92 0.00 2.34 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 2.28 2.33 0.00 59 V 7.58 3.52 2.22 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 0.83 0.00 0.00 0.94 0.00 0.00 60 V 7.50 3.67 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 0.86 0.00 0.00 0.93 0.00 0.00 61 K 7.95 4.12 0.00 1.95 1.78 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.63 7.81 62 E 8.22 3.88 0.00 1.96 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 2.45 2.42 0.00 *64 V 7.84 3.74 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 1.03 0.00 0.00 0.93 0.00 0.00 65 D 7.94 4.38 0.00 2.93 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 66 V 7.91 3.68 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 1.10 0.00 0.00 0.93 0.00 0.00 67 F 7.95 4.37 0.00 3.14 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 68 Y 8.48 4.02 0.00 3.06 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 69 H 8.54 4.05 0.00 3.31 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.41 4.26 0.00 3.28 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 71 F 8.49 4.59 0.00 3.19 3.23 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 72 V 7.79 3.49 1.88 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 0.42 0.00 0.00 0.14 0.00 0.00 73 L 8.22 3.98 0.00 1.93 1.93 0.95 0.96 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 74 L 8.20 4.02 0.00 2.17 2.04 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.28 4.04 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 76 E 8.52 3.99 0.00 2.35 2.36 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 2.40 2.46 0.00 77 K 8.16 4.27 0.00 1.79 1.84 0.00 1.95 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.64 7.81 78 N 7.78 4.15 0.00 2.87 2.87 0.00 0.00 6.78 7.03 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 79 I 8.06 4.34 1.89 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 1.23 0.74 0.88 0.00 0.00 80 A 8.36 4.14 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 81 L 8.00 3.32 0.00 0.27 0.96 0.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.84 3.90 0.00 2.08 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 2.19 2.33 0.00 83 D 7.79 4.46 0.00 2.81 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 84 V 7.25 3.77 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 0.90 0.00 0.00 0.79 0.00 0.00 *86 R 8.14 4.19 0.00 2.07 1.96 0.00 3.14 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 87 E 7.92 3.88 0.00 2.06 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 0.00 2.27 2.32 0.00 88 V 7.99 3.51 2.00 0.00 0.00 0.00 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 0.84 0.00 0.00 89 K 7.89 3.95 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 90 E 8.48 3.89 0.00 2.06 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 2.29 2.30 0.00 91 R 8.23 3.88 0.00 2.09 2.04 0.00 3.18 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 92 N 8.09 4.38 0.00 2.99 2.84 0.00 0.00 7.20 7.50 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 93 G 8.00 3.75 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 0.00 0.00 0.00 94 K 7.78 4.08 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.69 7.81 95 L 7.57 4.30 0.00 1.76 1.58 0.96 1.29 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 * Residues marked with a * may have inaccurate shift predictions.