NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2713 8.2993 120.0082 56.8423 33.8479 174.9869 12 F 4.6522 8.9983 114.7896 54.6599 37.8212 174.2894 13 R 3.9769 8.8901 126.1091 58.6742 32.3823 180.6050 14 V 3.3215 7.7002 115.4299 62.9493 30.4472 172.6504 15 R 3.7083 8.7572 110.1689 57.1429 27.4326 176.4535 16 N 4.4860 7.9315 115.3628 55.6662 39.9862 177.4819 17 R 4.0354 7.3576 114.8868 56.7961 30.5125 177.3530 18 I 3.4124 8.4095 114.7946 62.4916 35.8794 173.8199 19 K 4.3218 8.0994 119.1730 55.8366 32.6631 176.3352 20 R 4.2421 7.7422 116.9163 56.8630 28.7317 175.6300 21 T 4.6895 8.2570 119.9513 63.2463 70.0028 174.9795 22 G 4.0134 8.2138 107.4853 44.2932 0.0000 173.4435 23 R 3.2475 8.8931 117.3898 57.2428 29.2863 174.1194 24 L 3.6276 8.0839 122.2334 55.0431 38.2524 172.5088 25 R 4.6163 8.8696 122.3665 54.9210 31.5552 176.1897 26 L 4.9349 8.4375 128.6053 53.6926 40.2804 175.3808 27 S 4.3395 8.8734 117.7954 57.7918 64.1281 172.9807 28 V 5.0637 8.3055 124.9217 61.1538 35.1617 173.7652 29 F 5.2345 9.0739 127.3066 56.5652 42.7083 173.1051 30 R 4.7078 9.1239 125.8625 54.5712 32.1355 174.7466 31 S 4.6090 7.8943 120.7036 56.0549 64.5185 173.8845 32 L 4.1223 8.3360 123.0611 57.3925 41.7031 179.0753 33 K 4.2997 7.9526 117.0661 58.4674 33.1512 175.7014 34 H 5.1867 7.3326 117.3214 55.5146 31.0751 171.8076 35 I 4.5811 7.8218 118.2964 61.6470 41.3801 174.2124 36 Y 5.2773 9.5556 126.6977 56.3309 42.1712 174.4548 37 A 5.2897 8.4727 121.3707 50.7847 23.0196 175.0794 38 Q 4.9496 9.3725 121.1353 54.1937 33.0389 174.7283 39 I 4.7973 8.5227 125.1449 60.3877 38.2990 174.4026 40 I 4.7265 9.1128 129.4754 59.5776 39.8163 174.9350 41 D 4.8141 8.7643 127.1830 52.6776 41.5683 176.4262 42 D 4.6219 8.1290 125.9941 55.0103 41.8447 177.0882 43 E 3.9302 9.0590 118.6874 57.7434 27.2998 174.7338 44 K 4.4569 8.2184 114.6319 55.6570 39.5955 175.7912 45 G 3.9533 7.4574 105.8897 45.5200 0.0000 172.9949 46 V 4.3747 6.9600 116.9210 62.0932 35.0749 172.5437 47 T 4.8882 8.2427 122.2485 62.0069 69.5669 174.7870 48 L 4.0922 8.5475 127.5937 57.3345 42.2019 177.2656 49 V 4.7457 7.1905 116.4233 61.3094 35.5644 173.5391 50 S 5.0214 8.3653 114.7123 57.7998 65.1753 175.6171 51 A 4.7993 8.7265 124.1413 50.4789 19.4520 175.3472 52 S 3.9101 8.1851 115.0698 58.6255 64.5146 173.9375 53 S 4.1961 8.6687 117.3849 59.0725 61.0452 176.5749 54 L 4.5442 5.6200 124.8530 56.5957 41.9233 178.2790 55 A 4.4460 7.4969 119.6672 52.2073 17.8455 177.9374 56 L 4.4260 7.7038 117.1764 56.4123 44.3663 177.5686 57 K 3.5030 8.7581 118.0098 58.3585 31.3301 171.6205 58 L 3.8136 8.0342 125.2816 56.5550 42.5628 173.8592 59 K 4.0979 7.2530 122.3545 55.0297 34.5937 173.8338 60 G 3.9678 8.1671 107.7619 46.0037 0.0000 173.2972 61 N 4.4157 8.0151 117.4945 53.5706 39.3273 173.3326 62 K 4.1168 8.0122 121.7399 56.5210 32.4561 179.2194 63 T 3.0007 7.9794 101.8136 63.2773 70.3513 174.9530 64 E 4.0534 8.8694 120.4960 59.0479 30.3364 178.3781 65 V 4.3978 8.2038 118.2278 64.9692 31.3151 177.7774 66 A 4.0388 8.9271 121.7076 54.9133 18.5637 179.3332 67 R 3.8546 7.6759 116.2600 59.7102 30.1032 179.0658 68 Q 3.9535 8.0509 117.0478 59.1011 28.4645 179.2483 69 V 3.6857 7.5605 119.9956 64.5146 31.0041 178.3909 70 G 3.6450 8.1266 106.8921 47.7025 0.0000 175.9843 71 R 3.9494 8.5752 121.5857 58.5319 30.0547 179.0729 72 A 3.9981 8.3180 121.1132 54.7890 18.3140 179.4372 73 L 3.8722 7.5887 117.4699 58.3618 42.3268 178.3987 74 A 3.9732 8.6374 120.8304 56.0124 18.1448 178.9205 75 E 4.0574 8.5861 117.1072 59.0636 29.4975 179.8300 76 K 3.8190 8.1441 118.3645 60.4532 32.3747 178.1593 77 A 4.1018 8.4508 122.0628 53.7949 17.9847 178.9399 78 L 3.5006 8.0510 119.9967 56.9740 42.3653 178.7665 79 A 4.3168 7.4292 119.1708 53.2424 18.6104 177.4211 80 L 4.7409 8.6503 117.9816 54.2277 42.8347 179.2326 81 G 4.0374 8.6043 106.2852 46.0066 0.0000 175.1582 82 I 3.8562 7.2793 120.5187 62.3098 38.0096 174.3664 83 K 4.6395 8.4875 122.8436 57.3412 40.3500 175.0026 84 Q 4.8733 8.1484 123.2525 55.1891 29.3152 174.8251 85 V 4.8336 8.3960 118.1087 59.9006 37.0972 173.9413 86 A 5.0585 9.0159 123.5257 50.0987 21.7704 176.3929 87 F 5.0660 8.8406 123.8021 58.1530 41.1778 174.9191 88 D 3.9020 6.1655 126.2732 52.5647 46.7221 174.9918 89 R 3.9804 6.8883 126.1884 54.4940 31.8959 175.2375 90 G 3.7965 8.8611 112.4838 46.2444 0.0000 173.1179 91 P 4.0974 0.0000 0.0000 65.9132 31.0050 181.3959 92 Y 3.3308 8.1085 112.9012 54.7730 42.0694 172.8465 93 K 3.0615 7.3693 128.3737 54.7231 30.4836 172.1241 94 Y 3.9440 6.0639 119.3432 58.2172 38.5790 174.8956 95 H 4.1883 8.5576 125.3158 55.8603 33.6193 177.2195 96 G 3.5254 8.1564 111.6983 46.3223 0.0000 175.0832 97 R 3.9335 8.9517 112.1007 56.2428 30.4588 177.8332 98 V 3.5208 9.4195 117.1391 64.0797 32.2405 176.3618 99 K 4.4722 8.1397 124.0037 54.9334 31.6547 177.3635 100 A 4.4091 7.4536 125.1610 50.0651 17.9772 176.5126 101 L 4.8061 7.3904 120.4844 52.6359 44.2538 180.2547 102 A 4.5063 8.2927 120.9085 49.7206 18.6196 177.7719 103 E 3.6083 8.8638 116.8747 58.2422 29.0363 177.8733 104 G 3.8764 8.7583 112.2010 46.2727 0.0000 173.3788 105 A 4.7884 8.7369 124.5998 50.1122 18.0117 178.3367 106 R 4.7844 7.6688 119.7095 55.9208 31.5097 176.4240 107 E 3.7301 8.1371 109.8951 58.0928 26.1603 174.7726 108 G 3.8052 7.9569 108.1711 46.0632 0.0000 170.5356 *109 G 3.7078 8.0640 112.2344 45.5972 0.0000 172.3151 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 11 K 8.30 4.27 0.00 1.99 2.02 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 12 F 9.00 4.65 0.00 3.27 2.92 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 13 R 8.89 3.98 0.00 1.81 2.02 0.00 3.54 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 14 V 7.70 3.32 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 0.63 0.00 0.00 0.60 0.00 0.00 15 R 8.76 3.71 0.00 1.89 1.89 0.00 3.34 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 16 N 7.93 4.49 0.00 2.32 2.53 0.00 0.00 7.22 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 17 R 7.36 4.04 0.00 1.88 1.95 0.00 2.95 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 18 I 8.41 3.41 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.87 0.00 0.00 19 K 8.10 4.32 0.00 1.63 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.34 7.81 20 R 7.74 4.24 0.00 1.79 1.87 0.00 3.28 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 21 T 8.26 4.69 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 22 G 8.21 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 23 R 8.89 3.25 0.00 1.91 1.89 0.00 3.34 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 24 L 8.08 3.63 0.00 1.94 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.87 4.62 0.00 1.84 1.82 0.00 3.03 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 26 L 8.44 4.93 0.00 1.74 1.90 1.25 1.24 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 27 S 8.87 4.34 0.00 3.94 3.69 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 28 V 8.31 5.06 2.10 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 1.15 0.00 0.00 1.14 0.00 0.00 29 F 9.07 5.23 0.00 2.97 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 30 R 9.12 4.71 0.00 1.87 1.84 0.00 3.32 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 31 S 7.89 4.61 0.00 3.39 3.67 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 32 L 8.34 4.12 0.00 1.66 1.71 0.92 0.87 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 33 K 7.95 4.30 0.00 1.62 1.68 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 34 H 7.33 5.19 0.00 3.30 2.96 0.00 5.67 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.82 4.58 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.91 0.00 0.00 36 Y 9.56 5.28 0.00 2.95 2.92 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 37 A 8.47 5.29 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 38 Q 9.37 4.95 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 39 I 8.52 4.80 1.90 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 1.24 0.94 0.00 0.00 40 I 9.11 4.73 1.86 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 1.12 0.94 0.94 0.00 0.00 41 D 8.76 4.81 0.00 2.79 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 42 D 8.13 4.62 0.00 2.80 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 43 E 9.06 3.93 0.00 2.11 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 2.20 2.25 0.00 44 K 8.22 4.46 0.00 2.08 1.76 0.00 2.04 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 45 G 7.46 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 0.00 0.00 0.00 46 V 6.96 4.37 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 0.94 0.00 0.00 0.96 0.00 0.00 47 T 8.24 4.89 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 1.40 0.00 0.00 48 L 8.55 4.09 0.00 1.66 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.19 4.75 2.11 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 1.06 0.00 0.00 0.95 0.00 0.00 50 S 8.37 5.02 0.00 3.92 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 51 A 8.73 4.80 1.23 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 0.00 0.00 52 S 8.19 3.91 0.00 3.37 3.78 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 53 S 8.67 4.20 0.00 3.89 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 54 L 5.62 4.54 0.00 0.80 1.41 0.98 0.68 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 55 A 7.50 4.45 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.70 4.43 0.00 1.53 1.85 0.89 0.68 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 57 K 8.76 3.50 0.00 1.95 1.63 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.33 7.81 58 L 8.03 3.81 0.00 1.77 1.68 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.25 4.10 0.00 1.83 2.05 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.43 7.81 60 G 8.17 3.97 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 0.00 0.00 0.00 61 N 8.02 4.42 0.00 2.68 2.73 0.00 0.00 6.86 6.68 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 62 K 8.01 4.12 0.00 1.75 1.58 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.52 7.81 63 T 7.98 3.00 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 1.16 0.00 0.00 64 E 8.87 4.05 0.00 2.07 2.14 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 2.37 2.45 0.00 65 V 8.20 4.40 2.35 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 1.03 0.00 0.00 0.99 0.00 0.00 66 A 8.93 4.04 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 67 R 7.68 3.85 0.00 2.10 2.00 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 68 Q 8.05 3.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 69 V 7.56 3.69 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 0.85 0.00 0.00 1.01 0.00 0.00 70 G 8.13 3.65 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 0.00 0.00 0.00 71 R 8.58 3.95 0.00 1.81 2.02 0.00 3.12 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 72 A 8.32 4.00 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 73 L 7.59 3.87 0.00 2.03 1.73 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.64 3.97 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 75 E 8.59 4.06 0.00 2.16 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 2.34 2.44 0.00 76 K 8.14 3.82 0.00 1.90 1.92 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.73 7.81 77 A 8.45 4.10 1.37 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 78 L 8.05 3.50 0.00 1.68 1.79 0.97 0.76 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 79 A 7.43 4.32 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 4.74 0.00 1.72 1.61 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.60 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 82 I 7.28 3.86 2.00 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 1.50 0.86 0.93 0.00 0.00 83 K 8.49 4.64 0.00 1.64 1.77 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.36 7.81 84 Q 8.15 4.87 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 85 V 8.40 4.83 2.26 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 0.65 0.00 0.00 1.00 0.00 0.00 86 A 9.02 5.06 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 87 F 8.84 5.07 0.00 3.05 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 88 D 6.17 3.90 0.00 2.42 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 6.89 3.98 0.00 1.86 2.05 0.00 3.72 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 90 G 8.86 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 0.00 0.00 0.00 91 P 0.00 4.10 0.00 2.50 2.85 0.00 3.70 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 2.30 2.38 0.00 92 Y 8.11 3.33 0.00 3.19 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 93 K 7.37 3.06 0.00 1.92 1.93 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 94 Y 6.06 3.94 0.00 2.69 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 95 H 8.56 4.19 0.00 2.99 3.20 0.00 6.12 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 96 G 8.16 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 97 R 8.95 3.93 0.00 1.91 2.05 0.00 3.18 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 98 V 9.42 3.52 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 0.63 0.00 0.00 0.23 0.00 0.00 99 K 8.14 4.47 0.00 1.70 1.74 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.52 7.81 100 A 7.45 4.41 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 0.00 101 L 7.39 4.81 0.00 1.73 1.63 0.96 0.57 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 0.00 102 A 8.29 4.51 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 0.00 103 E 8.86 3.61 0.00 2.14 1.12 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 2.31 2.23 0.00 104 G 8.76 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.74 4.79 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 0.00 106 R 7.67 4.78 0.00 1.87 2.00 0.00 3.43 0.00 0.00 3.76 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 107 E 8.14 3.73 0.00 2.19 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 2.33 2.35 0.00 108 G 7.96 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 *109 G 8.06 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.