NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.3622 8.1749 115.2483 62.2989 68.2955 173.7875 -4 E 5.4391 8.4711 123.6152 57.7943 34.2608 174.0434 -3 F 4.9287 8.8051 121.6527 56.2061 43.5291 173.2250 -2 K 4.0612 7.2715 124.5819 53.7955 35.5781 175.7412 -1 A 3.8935 7.8546 124.2674 51.9790 19.2457 177.7250 -4 G 5.0491 8.3811 112.2152 46.2943 0.0000 172.3434 -3 S 4.7787 8.8151 117.0527 56.8061 67.7291 172.0250 -2 A 4.0612 7.2215 127.9819 50.0955 21.5781 176.9412 -1 K 3.8935 7.9046 120.8674 55.6791 33.2457 176.5250 5 K 4.1798 8.1508 119.1554 59.2567 32.0655 178.7959 6 G 3.6418 8.0694 105.3058 47.8672 0.0000 174.9794 7 A 2.5800 8.0055 123.7824 54.6979 18.2322 179.6464 8 T 3.9435 7.6855 107.1526 64.3419 69.0287 177.0447 9 L 3.9127 7.7903 122.1791 57.5696 41.3716 178.7047 10 F 4.0214 8.1565 120.7416 61.4691 39.0282 177.1411 11 K 4.0571 7.7099 116.1900 59.9165 32.0198 179.1689 12 T 4.0931 7.7072 108.2549 63.6782 68.9459 175.4490 13 R 4.5576 8.5246 118.6130 55.7797 32.7206 175.9505 14 C 4.2300 8.3854 114.8704 59.5342 30.1895 175.8118 15 L 4.0396 7.2860 120.1206 57.3071 41.8113 177.4396 16 Q 4.0293 7.9282 118.0283 58.9428 28.9591 176.9855 17 C 4.8749 7.7054 111.0767 59.5536 30.5279 173.3273 18 H 5.2953 8.3481 116.0006 54.4611 33.3507 172.5204 19 T 4.8840 8.6748 110.2664 60.4608 71.4229 175.0231 20 V 4.1572 8.0792 114.0705 61.8015 34.1902 176.9333 21 E 3.9471 7.9789 118.9419 55.7133 29.8267 175.9810 22 K 3.7306 8.0809 123.2754 58.7315 31.9565 176.5335 23 G 3.8585 8.9968 114.7809 45.6198 0.0000 172.5795 24 G 3.9259 7.8063 107.8929 43.7824 0.0000 172.7249 25 P 4.5070 0.0000 0.0000 61.7034 32.3532 176.3167 26 H 4.7534 8.3862 118.2542 56.0805 30.5592 175.4765 27 K 4.6480 8.7318 121.7203 56.4632 32.2241 177.8089 28 V 3.6964 9.1639 126.7346 66.3153 31.4072 175.5623 29 G 3.8344 8.2542 108.2266 42.4814 0.0000 170.9597 30 P 4.4002 0.0000 0.0000 61.5442 32.0573 175.7537 31 N 4.6063 8.9949 117.7194 53.9867 39.4358 174.6006 32 L 4.3914 8.7420 123.6023 54.3004 42.3789 175.8693 33 H 3.9637 8.1683 119.6063 58.0598 29.8423 175.0988 34 G 3.8701 8.5949 114.6767 45.8599 0.0000 173.7445 35 I 3.6344 7.9002 122.1314 63.7306 37.8441 176.2521 36 F 4.7535 7.5238 117.6805 58.9338 39.1601 173.8929 37 G 4.1769 9.4401 114.1318 45.6652 0.0000 174.1517 38 R 4.3266 7.9842 119.1948 56.2649 31.5132 175.6014 39 H 5.6969 8.8061 120.1175 53.5280 30.7320 175.2450 40 S 4.3268 8.1469 115.5345 59.0756 63.2823 174.4671 41 G 2.0000 8.1333 110.4044 46.2391 0.0000 173.1819 42 Q 4.5074 7.4069 110.1527 55.0937 31.6896 175.8474 43 A 4.2839 9.0491 124.2991 51.8017 18.8445 177.2780 44 E 4.2666 8.7781 122.0143 57.4736 30.5398 177.2105 45 G 3.9982 9.2374 110.0037 45.3063 0.0000 172.0689 46 Y 4.4052 7.1714 118.8453 55.5143 40.5213 176.0696 47 S 4.2668 6.8649 121.7694 57.1331 61.0693 172.5059 48 Y 4.6905 8.0072 122.6406 56.7913 38.7590 176.2445 49 T 4.1859 8.5605 113.7132 61.9743 70.8035 175.1755 50 D 4.2423 8.6689 120.3557 57.1484 40.9546 178.4859 51 A 3.9648 8.2088 120.8894 55.3899 18.2567 179.3574 52 A 3.9195 7.9686 118.3010 55.4576 18.3413 179.6634 53 I 3.5112 7.0058 116.4478 64.7269 37.3123 178.5729 54 K 4.0794 7.7491 117.7407 59.0271 31.8693 179.1654 55 K 3.8342 7.5387 118.7146 58.8515 33.6181 176.1865 56 N 3.8999 7.4588 114.7775 54.2727 37.2388 173.2283 57 V 3.7492 7.7403 120.7681 61.5532 33.9257 175.2915 58 L 4.3562 7.8617 129.2209 53.2021 42.8576 176.2362 59 W 4.7148 9.2621 129.4554 56.4951 29.6245 175.5472 60 D 5.4871 8.6882 123.9521 50.3758 42.1478 176.8144 61 E 3.8731 8.5447 117.6557 59.4494 29.1116 179.0443 62 N 4.3860 9.6690 118.1793 56.1582 38.6868 177.1409 63 N 4.3431 8.3943 117.3521 56.5596 38.6555 176.8688 64 M 4.2145 8.1860 119.5530 58.8774 32.3659 178.2877 65 S 4.1312 7.8820 112.9803 61.3397 62.3775 176.0234 66 E 4.0019 7.7321 120.4644 59.4489 29.6627 178.2209 67 Y 4.2338 8.2861 119.8414 60.8864 38.8590 178.3333 68 L 3.9554 8.1931 119.7860 58.0313 41.5144 179.7296 69 T 4.3207 7.8779 116.8126 65.2284 69.0728 173.1347 70 N 4.8464 8.1161 115.1554 52.1917 40.8696 172.5116 71 P 3.9679 0.0000 0.0000 63.6465 32.2906 177.9602 *73 K 4.2226 8.0586 119.7582 56.7246 33.6610 176.3958 74 Y 4.1502 8.2445 118.1429 60.2506 39.0865 176.2713 75 I 4.5978 8.5258 120.9653 58.2497 38.1397 171.5080 76 P 4.4485 0.0000 0.0000 63.9539 31.9068 177.0678 77 G 4.0406 9.0554 111.1826 45.2262 0.0000 173.7272 78 T 4.0229 7.7029 114.6933 62.4877 67.7044 173.4759 79 K 4.3791 8.6666 126.0058 56.9510 32.9552 176.1344 80 M 4.1556 7.8875 120.2011 56.0403 32.2533 176.9905 81 A 4.5585 8.3915 133.2750 50.5930 17.8114 175.0434 82 F 4.8345 7.7299 121.8380 55.2270 42.6432 174.7286 83 G 3.3720 8.2812 117.6792 47.9722 0.0000 174.1941 84 G 4.0109 5.3800 104.4987 44.2764 0.0000 171.5784 85 L 4.6680 7.8910 119.9611 52.6158 42.9813 177.7029 86 K 3.9910 8.5840 124.1507 58.5512 32.5858 178.5996 87 K 4.3185 7.8862 119.3777 55.2424 33.1706 177.0760 88 E 4.0704 8.9277 125.7153 59.2506 29.2118 178.8863 89 K 4.1107 8.0152 118.4629 60.0482 32.7185 178.8260 90 D 4.4179 7.9585 119.5893 56.9903 40.8364 178.7033 91 R 4.0106 8.5182 119.1169 59.3300 29.9466 178.7407 92 N 4.6385 8.7424 116.6648 56.5605 38.4823 177.0634 93 D 4.4642 7.8918 119.7612 57.2940 40.8643 178.6845 94 L 4.0578 7.9508 120.6146 58.4957 41.9095 179.0616 95 I 3.4313 8.2438 119.9521 64.6253 36.8743 178.5849 96 T 3.9611 7.8599 116.7988 66.7793 68.1539 175.7871 97 Y 4.0332 8.3266 121.4597 60.7862 38.8208 178.2526 98 L 4.2039 8.8167 120.6115 57.7409 41.6103 179.0829 99 K 3.4649 8.7430 119.0244 59.6549 32.0250 178.4561 100 K 3.9705 7.7766 116.5817 59.4660 32.2234 179.0143 101 A 4.0361 8.2521 119.6429 53.4436 18.6108 178.4698 102 T 4.1915 7.5860 107.8340 61.3689 68.9687 174.4992 103 E 4.1004 7.8386 127.6076 56.7443 29.7691 175.6900 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 -5 T 8.17 4.36 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 1.21 0.00 0.00 -4 E 8.47 5.44 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 2.24 2.36 0.00 -3 F 8.81 4.93 0.00 2.98 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 -2 K 7.27 4.06 0.00 1.46 1.39 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.24 7.81 -1 A 7.85 3.89 1.20 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 -4 G 8.38 5.05 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 0.00 0.00 0.00 -3 S 8.82 4.78 0.00 3.73 3.96 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 -2 A 7.22 4.06 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 -1 K 7.90 3.89 0.00 1.59 1.49 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.34 7.81 5 K 8.15 4.18 0.00 1.88 1.99 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.93 1.59 7.81 6 G 8.07 3.64 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 0.00 7 A 8.01 2.58 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 8 T 7.69 3.94 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 1.19 0.00 0.00 9 L 7.79 3.91 0.00 2.06 1.76 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.16 4.02 0.00 2.88 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 11 K 7.71 4.06 0.00 1.78 1.89 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.66 7.81 12 T 7.71 4.09 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 1.24 0.00 0.00 13 R 8.52 4.56 0.00 1.84 1.95 0.00 3.22 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 14 C 8.39 4.23 0.00 1.23 2.18 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 15 L 7.29 4.04 0.00 1.51 1.76 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.93 4.03 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 17 C 7.71 4.87 0.00 2.72 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 H 8.35 5.30 0.00 3.16 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.67 4.88 4.67 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 1.27 0.00 0.00 20 V 8.08 4.16 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 0.15 0.00 0.00 0.82 0.00 0.00 21 E 7.98 3.95 0.00 2.03 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 2.40 2.36 0.00 22 K 8.08 3.73 0.00 1.12 1.53 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 23 G 9.00 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.81 3.93 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 0.00 0.00 0.00 25 P 0.00 4.51 0.00 2.07 1.98 0.00 3.70 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 2.10 0.00 26 H 8.39 4.75 0.00 3.27 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.73 4.65 0.00 1.66 0.74 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.35 7.81 28 V 9.16 3.70 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 8.25 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 30 P 0.00 4.40 0.00 1.95 1.30 0.00 3.27 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.65 0.00 31 N 8.99 4.61 0.00 2.94 2.77 0.00 0.00 6.92 7.78 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 32 L 8.74 4.39 0.00 1.64 1.47 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.17 3.96 0.00 3.30 3.28 0.00 6.01 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 34 G 8.59 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 0.00 0.00 0.00 35 I 7.90 3.63 1.72 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.53 0.13 0.00 0.00 36 F 7.52 4.75 0.00 3.12 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 37 G 9.44 4.18 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 0.00 0.00 0.00 38 R 7.98 4.33 0.00 2.19 2.03 0.00 3.15 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 39 H 8.81 5.70 0.00 2.94 3.08 0.00 6.01 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.15 4.33 0.00 3.87 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.41 4.51 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 43 A 9.05 4.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.78 4.27 0.00 2.17 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 2.34 2.37 0.00 45 G 9.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.17 4.41 0.00 2.35 2.31 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 47 S 6.86 4.27 0.00 3.59 3.33 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 48 Y 8.01 4.69 0.00 3.14 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 49 T 8.56 4.19 4.32 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 1.38 0.00 0.00 50 D 8.67 4.24 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 51 A 8.21 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.01 3.51 1.97 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 1.57 0.76 0.89 0.00 0.00 54 K 7.75 4.08 0.00 2.01 1.84 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 55 K 7.54 3.83 0.00 1.74 1.89 0.00 1.59 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.24 1.26 7.81 56 N 7.46 3.90 0.00 2.95 2.70 0.00 0.00 7.25 7.74 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 57 V 7.74 3.75 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 0.44 0.00 0.00 0.41 0.00 0.00 58 L 7.86 4.36 0.00 1.49 1.43 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.26 4.71 0.00 3.35 2.87 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 60 D 8.69 5.49 0.00 2.89 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 61 E 8.54 3.87 0.00 1.16 1.50 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 1.91 2.15 0.00 62 N 9.67 4.39 0.00 2.74 2.96 0.00 0.00 6.97 6.80 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 63 N 8.39 4.34 0.00 3.08 2.99 0.00 0.00 6.68 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 64 M 8.19 4.21 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 65 S 7.88 4.13 0.00 4.09 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 66 E 7.73 4.00 0.00 1.99 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 2.44 2.42 0.00 67 Y 8.29 4.23 0.00 2.50 3.10 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 0.00 0.00 0.00 68 L 8.19 3.96 0.00 1.82 1.74 0.89 0.67 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 69 T 7.88 4.32 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 1.24 0.00 0.00 70 N 8.12 4.85 0.00 2.73 2.71 0.00 0.00 7.15 6.99 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 71 P 0.00 3.97 0.00 2.24 1.91 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.68 0.00 *73 K 8.06 4.22 0.00 1.99 2.23 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.59 7.81 74 Y 8.24 4.15 0.00 3.34 3.66 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 75 I 8.53 4.60 2.06 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 1.27 0.86 0.96 0.00 0.00 76 P 0.00 4.45 0.00 2.05 2.03 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.28 0.00 77 G 9.06 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 78 T 7.70 4.02 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 79 K 8.67 4.38 0.00 1.97 1.96 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.54 7.81 80 M 7.89 4.16 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 81 A 8.39 4.56 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 82 F 7.73 4.83 0.00 2.88 2.83 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 83 G 8.28 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 5.38 4.01 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 0.00 0.00 0.00 85 L 7.89 4.67 0.00 1.81 1.67 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.58 3.99 0.00 1.75 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 87 K 7.89 4.32 0.00 2.05 1.76 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 88 E 8.93 4.07 0.00 2.07 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 2.42 2.44 0.00 89 K 8.02 4.11 0.00 2.03 2.06 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 90 D 7.96 4.42 0.00 2.84 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 91 R 8.52 4.01 0.00 2.02 2.07 0.00 3.20 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 92 N 8.74 4.64 0.00 2.73 3.02 0.00 0.00 7.05 7.96 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 93 D 7.89 4.46 0.00 2.93 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 94 L 7.95 4.06 0.00 1.93 1.91 1.08 1.11 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 95 I 8.24 3.43 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 1.59 1.10 0.53 0.00 0.00 96 T 7.86 3.96 4.45 0.00 0.00 0.00 0.00 0.00 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 97 Y 8.33 4.03 0.00 3.23 3.26 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 98 L 8.82 4.20 0.00 2.04 1.94 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.74 3.46 0.00 1.18 2.06 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.24 1.40 7.81 100 K 7.78 3.97 0.00 1.84 1.65 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.54 7.81 101 A 8.25 4.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 4.19 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 1.10 0.00 0.00 103 E 7.84 4.10 0.00 2.08 1.92 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 2.20 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.