NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.1467 8.2993 119.9952 56.6172 34.1906 174.5637 12 F 4.7494 7.8080 115.2132 54.6708 38.9979 175.2489 13 R 4.1027 9.1068 124.8170 56.5967 32.5989 181.4040 14 V 2.8510 8.8447 116.6592 63.7941 32.2888 174.5923 15 R 3.6868 8.8049 109.3861 56.6435 28.2745 176.9439 16 N 4.5034 7.4991 120.0785 55.1244 39.5056 176.4730 17 R 4.1559 7.3953 115.3766 56.5298 31.6893 175.0798 18 I 3.4311 8.5212 121.0233 62.9286 35.8960 175.0645 19 K 4.3369 7.6511 119.3613 56.6567 30.1705 176.7565 20 R 4.5379 6.9776 117.6363 54.8619 33.3010 176.4591 21 T 4.0868 7.6690 113.8202 65.9349 70.4648 172.2436 22 G 4.3026 10.0435 127.0700 45.4174 0.0000 172.1177 23 R 3.0099 8.5982 114.3818 57.9293 28.8827 172.9636 24 L 4.3045 8.0586 125.8727 54.7061 38.6808 174.2901 25 R 4.7015 7.9725 122.2434 54.3584 32.6559 175.8252 26 L 5.1467 7.5762 120.5424 52.8888 41.9803 176.5789 27 S 4.0389 8.1065 111.8273 59.0775 63.4075 173.2919 28 V 5.0361 8.1560 124.4250 61.1219 35.5077 174.1978 29 F 5.0254 9.3534 125.2371 56.5660 42.1916 174.3256 30 R 5.0541 8.8307 129.8582 54.8332 27.6315 175.6042 31 S 3.9453 7.3820 115.3660 57.1723 64.3417 175.6628 32 L 4.0779 8.3697 121.2632 57.8991 41.4525 179.0053 33 K 4.2602 7.8275 115.4382 58.0379 32.9978 175.4801 34 H 5.3148 8.6451 115.4213 54.3340 33.1038 172.1660 35 I 5.6046 8.2784 116.9275 60.3966 41.4319 174.2193 36 Y 5.3847 8.7585 124.8365 56.6581 42.5041 174.2964 37 A 5.5934 8.1869 120.2357 52.3123 23.0242 175.2663 38 Q 4.8792 8.6623 121.0217 54.0540 33.1489 174.7094 39 I 4.9645 8.6226 124.5807 60.3300 38.2572 175.0313 40 I 4.8223 8.3470 127.6234 59.5861 41.0583 174.4136 41 D 5.1390 8.9888 124.9452 52.4442 42.3371 175.6439 42 D 4.9029 8.2197 125.1874 54.3266 42.2300 176.8695 43 E 3.8841 8.9685 117.0478 57.4899 27.1846 175.3571 44 K 4.4267 8.1586 115.2397 55.6831 36.5507 175.3087 45 G 4.0414 8.1659 105.6895 47.3697 0.0000 172.9614 46 V 4.5835 7.6532 115.8584 61.0917 35.9943 174.0865 47 T 4.7284 8.4789 120.8251 62.2916 70.0302 173.4746 48 L 4.4225 8.9507 126.8972 56.0211 42.7318 176.7538 49 V 4.5056 7.6586 118.3099 61.0392 34.0536 173.8840 50 S 5.2408 8.7197 121.6582 57.0596 66.0084 174.5376 51 A 4.5867 8.2488 122.4801 51.4981 20.2082 175.9229 52 S 4.1729 8.2195 116.3563 58.9168 64.4377 173.9023 53 S 4.2556 9.1780 121.3238 59.1022 60.5441 176.9041 54 L 4.3844 8.9776 116.1838 53.4898 39.3044 175.5010 55 A 4.9654 7.4687 128.7661 51.9948 20.7932 177.1535 56 L 4.4250 7.9900 117.4277 55.1880 42.5128 175.2144 57 K 3.6935 7.1958 118.3701 53.8052 31.8515 176.9298 58 L 3.2250 8.2764 116.1172 55.7355 41.2011 175.0814 59 K 5.0036 6.8336 120.5192 53.0914 35.5203 174.9087 60 G 3.9944 8.5153 105.8333 45.9189 0.0000 172.5072 61 N 4.6392 7.8644 119.5752 52.1428 39.2754 174.5553 62 K 3.9010 8.2223 126.4448 59.8158 32.2535 178.7840 63 T 3.9152 7.7952 108.9973 65.3688 68.6577 175.5369 64 E 3.8508 8.3772 122.8727 58.9343 29.4926 179.3693 65 V 3.7206 7.9832 117.5440 65.9564 31.3023 177.0077 66 A 4.0025 8.4649 120.4255 55.8031 18.3621 180.2125 67 R 3.4199 7.4741 111.5891 58.4233 30.6801 178.3780 68 Q 3.9823 8.2093 116.5402 59.6209 29.0750 180.1295 69 V 3.9373 8.2681 119.9116 64.3321 31.0826 178.2136 70 G 3.7376 8.5593 107.3038 47.6635 0.0000 176.2741 71 R 3.9401 7.9503 120.4774 57.9054 30.1923 178.8898 72 A 3.9936 8.5937 121.5357 55.1560 18.3323 179.4249 73 L 3.9964 7.5257 117.0905 58.1870 42.1718 178.5343 74 A 4.0444 8.2364 120.9508 55.4793 18.0266 179.0041 75 E 3.8366 8.8246 116.7223 60.0946 29.4642 180.3303 76 K 4.0955 7.6015 115.3970 59.9107 32.4082 178.3099 77 A 3.8202 8.7517 120.4146 55.6005 17.9527 179.0559 78 L 4.2538 8.6054 116.8865 56.6983 41.9843 179.7769 79 A 3.5902 7.5403 118.1193 54.1206 18.2267 178.0159 80 L 4.4453 8.0151 115.6581 54.3491 42.1597 177.3752 81 G 3.8959 8.9602 107.4620 45.7661 0.0000 174.2921 82 I 4.0999 7.3574 120.3933 60.7129 37.9932 175.2367 83 K 4.2361 7.7393 127.2888 56.3967 34.8725 173.9719 84 Q 4.5440 8.2431 119.3117 54.3249 29.7770 174.8327 85 V 4.7224 7.6848 123.2870 60.7544 34.8978 175.5878 86 A 4.4739 8.2411 124.3367 51.9406 23.0392 176.2444 87 F 4.3486 9.2031 125.8439 57.4191 40.5907 173.6178 88 D 4.3996 6.7541 122.2769 52.5778 40.8893 175.1471 89 R 3.7736 8.5476 126.9083 55.1183 32.2378 175.7621 90 G 3.9529 8.1358 111.9569 44.8212 0.0000 174.6869 91 P 3.9947 0.0000 0.0000 65.5870 31.0199 179.0928 92 Y 3.7550 9.0058 116.5759 58.8109 39.9150 175.2968 93 K 3.3083 8.5529 116.1101 56.1827 30.2775 170.4482 94 Y 3.7382 5.7587 119.5851 57.5290 38.2562 174.4040 95 H 4.0527 8.2982 125.3145 56.3744 32.6992 176.9867 96 G 2.6384 6.5333 106.1187 44.9982 0.0000 176.3978 97 R 3.7462 8.2103 118.9095 56.5176 30.5849 177.3598 98 V 3.3832 9.4782 118.3143 63.6443 31.7916 176.9016 99 K 4.3013 8.1506 127.4247 55.1112 31.4211 176.4214 100 A 4.3404 7.5663 130.8959 50.6014 17.8719 178.2334 101 L 4.1653 7.3703 121.9365 54.5876 43.0205 176.7096 102 A 4.1326 9.2799 122.9391 54.3727 18.8774 179.1456 103 E 3.4743 9.8580 109.3429 56.6590 31.0627 182.5191 104 G 3.6513 8.6114 113.2968 47.5737 0.0000 175.8175 105 A 4.2447 7.7454 120.0809 53.7288 18.6022 179.3694 106 R 3.9625 8.1236 116.7337 57.3400 29.9930 172.9996 107 E 3.7014 8.0895 123.7333 57.4930 28.7914 172.6821 108 G 3.8666 8.5816 118.6755 45.9493 0.0000 172.7648 *109 G 3.7078 8.2215 112.6635 45.5048 0.0000 172.3056 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 4.15 0.00 1.82 1.77 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.42 7.81 12 F 7.81 4.75 0.00 3.12 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 13 R 9.11 4.10 0.00 1.86 2.06 0.00 3.45 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 14 V 8.84 2.85 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 0.87 0.00 0.00 1.20 0.00 0.00 15 R 8.80 3.69 0.00 1.90 2.14 0.00 3.45 0.00 0.00 3.87 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 16 N 7.50 4.50 0.00 2.22 2.56 0.00 0.00 6.86 7.49 0.00 0.00 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 7.40 4.16 0.00 1.91 1.97 0.00 3.00 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 18 I 8.52 3.43 1.84 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 1.27 0.67 0.89 0.00 0.00 19 K 7.65 4.34 0.00 1.70 1.96 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 20 R 6.98 4.54 0.00 1.76 1.77 0.00 3.45 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 1.47 1.51 0.00 21 T 7.67 4.09 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 22 G 10.04 4.30 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 0.00 23 R 8.60 3.01 0.00 1.89 1.96 0.00 3.32 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 24 L 8.06 4.30 0.00 1.97 1.78 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.97 4.70 0.00 1.73 1.77 0.00 3.09 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 26 L 7.58 5.15 0.00 1.77 1.44 1.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.11 4.04 0.00 3.99 3.70 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 28 V 8.16 5.04 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 1.05 0.00 0.00 0.93 0.00 0.00 29 F 9.35 5.03 0.00 2.95 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 30 R 8.83 5.05 0.00 1.90 1.92 0.00 3.35 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 31 S 7.38 3.95 0.00 3.40 2.95 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 32 L 8.37 4.08 0.00 1.60 1.74 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.83 4.26 0.00 1.65 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 H 8.65 5.31 0.00 3.35 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.28 5.60 1.94 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 1.50 2.17 0.97 0.00 0.00 36 Y 8.76 5.38 0.00 3.01 2.90 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 0.00 0.00 0.00 37 A 8.19 5.59 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 38 Q 8.66 4.88 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 39 I 8.62 4.96 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.32 0.93 0.00 0.00 40 I 8.35 4.82 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 1.23 0.72 1.04 0.00 0.00 41 D 8.99 5.14 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.90 0.00 2.81 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 8.97 3.88 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 2.22 0.00 44 K 8.16 4.43 0.00 1.65 2.03 0.00 1.91 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 G 8.17 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 46 V 7.65 4.58 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 1.01 0.00 0.00 0.97 0.00 0.00 47 T 8.48 4.73 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 1.37 0.00 0.00 48 L 8.95 4.42 0.00 1.51 1.70 0.93 0.72 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 49 V 7.66 4.51 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 1.20 0.00 0.00 0.94 0.00 0.00 50 S 8.72 5.24 0.00 3.89 3.82 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 51 A 8.25 4.59 1.25 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 0.00 0.00 0.00 52 S 8.22 4.17 0.00 3.52 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 53 S 9.18 4.26 0.00 3.88 3.42 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 54 L 8.98 4.38 0.00 0.94 1.22 0.88 0.66 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 55 A 7.47 4.97 0.99 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 0.00 0.00 56 L 7.99 4.42 0.00 1.63 1.69 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.20 3.69 0.00 1.90 1.76 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.37 7.81 58 L 8.28 3.23 0.00 1.69 1.88 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 59 K 6.83 5.00 0.00 1.76 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.48 7.81 60 G 8.52 3.99 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 0.00 0.00 0.00 61 N 7.86 4.64 0.00 2.75 2.78 0.00 0.00 7.21 6.25 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 62 K 8.22 3.90 0.00 1.75 1.76 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 63 T 7.80 3.92 4.19 0.00 0.00 0.00 0.00 0.00 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 64 E 8.38 3.85 0.00 2.31 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 2.31 2.34 0.00 65 V 7.98 3.72 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 0.93 0.00 0.00 66 A 8.46 4.00 1.33 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 67 R 7.47 3.42 0.00 2.00 1.85 0.00 3.31 0.00 0.00 3.32 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 68 Q 8.21 3.98 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 69 V 8.27 3.94 2.09 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 0.93 0.00 0.00 1.02 0.00 0.00 70 G 8.56 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.95 3.94 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 72 A 8.59 3.99 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 73 L 7.53 4.00 0.00 1.93 1.73 1.02 1.19 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 74 A 8.24 4.04 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 75 E 8.82 3.84 0.00 2.15 2.06 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 2.35 2.56 0.00 76 K 7.60 4.10 0.00 1.91 1.88 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 77 A 8.75 3.82 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 78 L 8.61 4.25 0.00 1.73 1.77 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.54 3.59 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 80 L 8.02 4.45 0.00 1.72 1.67 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.96 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.36 4.10 2.00 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 1.31 0.84 0.93 0.00 0.00 83 K 7.74 4.24 0.00 1.67 1.77 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.26 7.81 84 Q 8.24 4.54 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 85 V 7.68 4.72 2.25 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 0.79 0.00 0.00 1.02 0.00 0.00 86 A 8.24 4.47 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 87 F 9.20 4.35 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 88 D 6.75 4.40 0.00 2.40 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 8.55 3.77 0.00 1.87 2.23 0.00 3.68 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 90 G 8.14 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 91 P 0.00 3.99 0.00 1.96 1.72 0.00 3.52 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.05 0.00 92 Y 9.01 3.76 0.00 3.23 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 93 K 8.55 3.31 0.00 1.77 1.76 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.34 7.81 94 Y 5.76 3.74 0.00 2.54 2.74 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 0.00 0.00 0.00 0.00 95 H 8.30 4.05 0.00 2.94 3.19 0.00 5.98 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 6.53 2.64 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 97 R 8.21 3.75 0.00 1.90 2.07 0.00 3.15 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 98 V 9.48 3.38 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 0.52 0.00 0.00 0.13 0.00 0.00 99 K 8.15 4.30 0.00 1.82 1.77 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.28 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.51 7.81 100 A 7.57 4.34 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 7.37 4.17 0.00 1.78 1.70 0.94 0.59 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 0.00 102 A 9.28 4.13 1.22 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 0.00 0.00 0.00 103 E 9.86 3.47 0.00 1.99 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 2.33 2.32 0.00 104 G 8.61 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 0.00 105 A 7.75 4.24 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 0.00 106 R 8.12 3.96 0.00 1.87 2.01 0.00 3.61 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 107 E 8.09 3.70 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 2.24 2.28 0.00 108 G 8.58 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 *109 G 8.22 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.