NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5032 8.3531 120.3163 52.5179 41.3046 175.8289 5 G 3.8311 8.4355 108.8087 45.0542 0.0000 171.7158 6 Y 4.4780 8.5414 120.2856 57.4206 39.1453 173.8661 7 F 4.3634 9.1191 123.4518 57.8251 40.1133 175.7967 8 E 4.8154 8.0108 118.8529 53.2418 32.6332 173.9043 9 P 4.2401 0.0000 0.0000 62.9858 32.2005 177.5209 10 T 3.5485 8.3754 112.4865 64.8168 68.5534 176.2330 11 Q 3.9750 7.9488 119.3788 58.0563 28.7773 176.7122 12 E 4.4749 7.8925 115.8883 55.8322 29.7764 175.5675 13 L 4.8070 7.5303 119.6011 52.3308 44.4538 177.3307 14 S 4.3859 8.3927 117.4791 58.2321 65.1583 174.9641 15 D 4.4377 8.7485 122.5138 57.8307 40.2718 178.8721 16 E 4.1552 8.1126 118.3514 59.2382 29.8404 178.3568 17 T 4.1673 7.5987 115.4936 66.5299 68.7723 176.8046 18 R 4.3880 8.3029 120.0951 58.9581 30.0074 178.7128 19 D 4.5945 8.1946 117.1613 54.9219 40.6659 177.8039 *21 H 4.6241 8.1310 120.7375 56.3580 31.9010 175.3847 22 R 3.7014 8.1900 118.3857 59.0567 29.7351 178.9912 23 A 3.7805 8.0053 120.4540 55.1662 18.4712 179.6262 24 I 3.5842 7.6385 117.6490 64.6656 37.2865 178.4703 25 I 3.6683 7.8322 119.5597 64.0586 37.7711 177.9435 26 S 4.0926 7.8409 115.7896 61.5161 62.6278 176.5609 27 L 3.9795 7.8859 122.9546 58.1857 41.7977 179.1553 28 R 3.9482 8.3809 118.4936 59.3541 29.9751 178.9464 29 E 3.9559 8.1884 118.4463 59.1719 29.4230 178.9612 30 E 4.0042 8.2904 119.5637 59.1219 29.7359 178.7940 31 L 3.9891 8.0322 119.1475 57.7074 41.7004 178.9243 32 E 3.8948 8.4581 119.2265 59.2539 29.4285 178.7135 33 A 3.8222 8.0354 120.6039 55.0995 18.4713 179.5261 34 V 3.6329 7.9384 116.7397 66.3383 31.6476 177.5916 35 D 4.3227 8.1381 117.4003 57.4953 41.0932 178.2894 36 L 3.9489 8.3905 119.6532 58.0440 41.5679 179.1595 37 Y 4.2935 8.1968 117.0417 61.0432 37.8843 178.0274 38 N 4.3443 8.7236 118.4666 56.8704 39.0416 177.0237 39 Q 4.0184 8.0886 119.2404 59.0721 28.7906 178.7975 40 R 3.9826 8.1956 119.1349 59.0503 29.7950 179.2032 41 V 3.5713 7.8366 117.4647 66.1014 31.6897 176.9284 42 N 4.3198 7.8208 115.0772 56.6619 38.8064 175.8013 43 A 4.4095 7.6386 119.3521 52.0603 19.8841 177.0822 44 C 4.1976 7.5736 117.4861 59.8468 32.3531 172.8735 45 K 4.3329 8.4508 122.1585 58.1266 33.5632 177.3216 46 D 4.4127 7.8638 118.5111 54.2274 42.2942 176.9800 47 K 4.1058 8.6960 126.5676 59.1181 32.3019 179.3457 48 E 3.9498 8.1839 118.9068 59.1328 29.5026 178.5269 49 L 3.9217 8.5426 120.7804 58.0777 42.1264 178.6002 50 K 3.7920 8.0111 119.2631 59.8528 32.0583 178.3788 51 A 4.0048 7.8805 120.1761 55.0415 18.1583 179.5990 52 I 3.5777 7.5545 117.9264 64.5310 37.2484 178.4701 53 L 3.6829 8.0874 119.6064 57.8772 41.4784 179.6435 54 A 4.0022 7.9123 120.5505 55.0939 18.2679 178.8967 55 H 3.8977 8.2119 116.8242 59.5759 29.8263 176.9892 56 N 4.1030 8.2201 118.2159 56.2807 38.2561 176.9959 57 R 3.9051 7.4221 120.2541 60.0670 30.1343 178.1217 58 D 4.3689 8.1761 118.2051 57.2032 40.8203 178.6489 59 E 3.9247 8.1093 119.2994 59.3118 29.2988 179.1278 60 E 3.8131 8.4201 118.9959 59.2551 29.4882 179.1955 61 K 3.8406 7.8478 118.3600 59.6752 31.8736 178.8609 62 E 3.9277 7.4861 117.5902 59.6074 29.7344 177.8831 63 H 4.2883 7.9007 114.6290 59.0931 29.1401 177.0960 64 A 4.2102 8.3996 122.0772 55.1367 18.1686 179.9798 65 A 3.7494 7.9092 117.8093 53.3117 19.1816 179.2575 *67 L 4.2752 7.8890 122.1777 56.2787 43.8853 179.2887 68 L 4.1264 8.0748 119.7846 57.9358 41.8560 178.5772 69 E 4.0329 8.6729 119.8804 58.7906 29.3119 178.6035 70 W 4.0598 8.1245 127.3550 60.5402 31.0581 177.5568 71 I 3.7811 8.2962 119.9085 64.2089 36.5103 178.3347 72 R 4.0294 8.2437 119.6217 59.6781 29.7763 178.8361 73 R 4.0800 7.5862 115.8587 57.9846 29.9262 176.9856 74 C 4.6887 7.1966 112.6907 57.4360 30.1843 174.0642 75 D 4.6210 7.8856 120.4117 52.1924 41.2401 173.7626 76 P 4.2220 0.0000 0.0000 64.9620 32.1195 178.1572 77 A 4.1507 8.0882 120.6925 54.6197 19.1199 179.1729 78 F 4.2816 8.4996 118.5618 61.0934 40.2551 175.9551 79 D 4.8646 8.5341 120.3581 52.7690 39.3719 173.8641 80 K 4.6326 7.2358 126.0276 56.7074 40.3500 176.9561 81 E 4.1819 7.7537 117.7013 59.4152 29.1122 179.5479 82 L 3.8504 7.5379 118.6688 57.3110 41.4343 179.4957 83 K 3.8991 7.8074 117.1776 59.6612 32.1403 177.9644 84 D 4.2177 8.2079 116.9316 57.6741 41.0990 177.5524 85 Y 4.1772 8.2508 116.2552 57.7919 39.0497 175.9089 86 L 4.0366 7.0816 121.5714 54.9860 43.2573 176.0470 87 F 4.0281 8.2034 122.1901 59.4458 36.0877 173.8759 88 T 4.7848 7.7601 108.3042 59.9179 71.8781 173.1821 89 N 5.0026 8.4088 114.9341 51.9471 38.4417 174.8469 90 K 4.1005 7.8956 118.3483 55.6246 32.7415 174.8199 91 P 4.2649 0.0000 0.0000 63.0600 31.5992 176.4222 92 I 4.0705 8.7812 124.5728 64.0484 38.4804 176.7200 93 A 4.7281 7.4844 116.7629 52.1708 18.7875 175.5398 94 H 4.3230 8.9512 121.3473 58.7861 29.9597 172.2954 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 D 8.35 4.50 0.00 2.87 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 5 G 8.44 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 6 Y 8.54 4.48 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 4.36 0.00 3.01 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 8 E 8.01 4.82 0.00 1.99 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 2.32 2.30 0.00 9 P 0.00 4.24 0.00 2.13 1.94 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 10 T 8.38 3.55 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 11 Q 7.95 3.98 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 12 E 7.89 4.47 0.00 2.12 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 0.00 2.27 2.25 0.00 13 L 7.53 4.81 0.00 1.71 1.59 1.05 0.79 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 14 S 8.39 4.39 0.00 4.07 4.02 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 15 D 8.75 4.44 0.00 2.74 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 16 E 8.11 4.16 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 2.35 2.47 0.00 17 T 7.60 4.17 4.44 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 0.00 0.00 1.29 0.00 0.00 18 R 8.30 4.39 0.00 1.97 2.16 0.00 3.24 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 19 D 8.19 4.59 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 *21 H 8.13 4.62 0.00 3.24 3.61 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.19 3.70 0.00 1.92 1.80 0.00 3.32 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 23 A 8.01 3.78 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.64 3.58 1.81 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 1.43 0.57 0.84 0.00 0.00 25 I 7.83 3.67 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.68 0.00 0.00 26 S 7.84 4.09 0.00 4.06 3.85 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 0.00 0.00 0.00 27 L 7.89 3.98 0.00 1.85 1.91 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.38 3.95 0.00 1.96 1.94 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 29 E 8.19 3.96 0.00 2.17 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 2.30 2.34 0.00 30 E 8.29 4.00 0.00 2.28 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 0.00 2.53 2.44 0.00 31 L 8.03 3.99 0.00 1.90 1.71 0.93 0.59 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 32 E 8.46 3.89 0.00 2.16 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 2.27 2.32 0.00 33 A 8.04 3.82 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.94 3.63 2.27 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 0.98 0.00 0.00 1.00 0.00 0.00 35 D 8.14 4.32 0.00 2.89 2.80 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 36 L 8.39 3.95 0.00 1.45 1.52 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.20 4.29 0.00 3.25 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 38 N 8.72 4.34 0.00 2.99 2.94 0.00 0.00 7.23 6.67 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 39 Q 8.09 4.02 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 40 R 8.20 3.98 0.00 2.02 2.05 0.00 3.08 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 41 V 7.84 3.57 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 0.81 0.00 0.00 1.03 0.00 0.00 42 N 7.82 4.32 0.00 2.91 3.07 0.00 0.00 7.26 7.42 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 43 A 7.64 4.41 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 44 C 7.57 4.20 0.00 3.22 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 45 K 8.45 4.33 0.00 1.77 1.81 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.34 7.81 46 D 7.86 4.41 0.00 2.71 2.56 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 47 K 8.70 4.11 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.47 7.81 48 E 8.18 3.95 0.00 2.25 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 2.39 2.41 0.00 49 L 8.54 3.92 0.00 1.73 1.84 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.01 3.79 0.00 2.05 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 51 A 7.88 4.00 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 52 I 7.55 3.58 2.02 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 1.48 0.80 0.88 0.00 0.00 53 L 8.09 3.68 0.00 1.83 1.83 1.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.91 4.00 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 55 H 8.21 3.90 0.00 3.24 3.45 0.00 5.60 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 56 N 8.22 4.10 0.00 1.75 2.44 0.00 0.00 6.72 7.23 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 57 R 7.42 3.91 0.00 1.83 2.04 0.00 3.13 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 58 D 8.18 4.37 0.00 2.64 2.65 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 0.00 0.00 0.00 59 E 8.11 3.92 0.00 2.02 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 0.00 2.20 2.22 0.00 60 E 8.42 3.81 0.00 2.11 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 2.54 2.73 0.00 61 K 7.85 3.84 0.00 2.01 1.90 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 62 E 7.49 3.93 0.00 2.11 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 0.00 2.40 2.39 0.00 63 H 7.90 4.29 0.00 3.38 3.45 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.40 4.21 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 65 A 7.91 3.75 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 0.00 0.00 0.00 0.00 0.00 *67 L 7.89 4.28 0.00 1.92 1.81 0.99 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.07 4.13 0.00 2.00 1.88 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.67 4.03 0.00 2.20 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 2.38 2.43 0.00 70 W 8.12 4.06 0.00 3.35 3.45 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 0.00 71 I 8.30 3.78 2.10 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 1.60 1.30 0.76 0.00 0.00 72 R 8.24 4.03 0.00 2.10 2.13 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 73 R 7.59 4.08 0.00 1.68 1.80 0.00 3.13 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 74 C 7.20 4.69 0.00 2.74 2.59 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 75 D 7.89 4.62 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.08 2.09 0.00 3.73 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 2.02 2.06 0.00 77 A 8.09 4.15 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 78 F 8.50 4.28 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 79 D 8.53 4.86 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.24 4.63 0.00 1.97 1.88 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 81 E 7.75 4.18 0.00 1.85 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 0.00 2.53 2.54 0.00 82 L 7.54 3.85 0.00 1.51 1.50 0.73 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.81 3.90 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.43 1.56 7.81 84 D 8.21 4.22 0.00 2.78 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 85 Y 8.25 4.18 0.00 2.99 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 86 L 7.08 4.04 0.00 1.41 1.31 0.64 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.20 4.03 0.00 3.26 2.98 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 88 T 7.76 4.78 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 1.31 0.00 0.00 89 N 8.41 5.00 0.00 2.79 2.91 0.00 0.00 6.02 7.13 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 90 K 7.90 4.10 0.00 1.77 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 P 0.00 4.26 0.00 2.04 2.02 0.00 3.69 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 2.02 2.12 0.00 92 I 8.78 4.07 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 1.37 0.39 0.91 0.00 0.00 93 A 7.48 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.95 4.32 0.00 3.10 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.91 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.