NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.4271 8.3149 120.1325 56.1432 34.5905 177.5551 20 K 4.7105 7.9460 127.8268 55.5722 30.3491 178.5575 21 R 4.4471 9.3469 126.2646 57.2681 35.3431 174.3093 22 F 4.7709 7.9643 116.2235 55.7870 41.0029 173.2652 23 E 4.7668 8.4372 122.2806 53.9073 32.6694 175.5412 24 V 3.9129 8.2778 119.9096 62.5082 32.0652 175.4299 25 K 4.3833 8.8057 128.1162 57.7366 33.1561 176.4660 26 K 4.7717 7.7138 115.0391 54.7157 36.0679 175.2042 27 W 4.8488 8.5539 131.1131 55.9933 33.3115 174.0848 28 N 4.3906 7.5631 123.5577 51.4777 37.8345 173.9698 29 A 4.3804 8.2124 126.9281 50.7901 19.6997 176.3892 30 V 4.3329 8.2663 122.7595 61.0746 33.4468 174.7576 31 A 4.7738 8.2714 128.0963 50.4942 22.2128 175.0289 32 L 4.8466 8.3880 120.2915 52.6251 44.1078 176.1223 33 W 4.9596 8.2418 117.0697 54.8545 30.9676 174.5318 34 A 4.0997 8.1559 120.6578 50.3150 21.3855 176.3201 35 W 4.1849 8.7192 120.7139 56.6652 28.8784 175.9943 36 D 4.5666 8.8576 123.5680 54.0032 41.1789 176.2194 37 I 3.8612 8.2742 117.9448 61.0081 38.1246 175.6798 38 V 4.2443 8.1344 124.0649 61.5052 32.9558 175.7559 39 V 3.6785 8.3381 124.6976 63.9367 32.1868 175.3592 40 D 4.2702 8.0138 118.4544 55.0760 37.4473 171.2331 41 N 4.9790 7.1057 116.7064 51.9289 43.2487 173.0868 42 C 4.3508 7.5373 118.0399 58.3737 33.0938 174.5758 43 A 4.3561 7.4678 126.4206 52.3403 18.8463 177.7790 44 I 4.3517 7.6094 116.1073 61.7378 39.3113 176.3434 45 C 4.6151 8.0232 112.3902 59.3178 30.4568 176.7188 46 R 3.9289 7.2064 115.8817 58.1694 25.8272 174.6426 47 N 5.1120 7.6917 126.5092 52.3235 42.9097 173.9352 *48 H 4.7406 8.8771 118.9667 54.7221 28.2638 175.1016 49 I 3.8528 7.6430 127.4205 59.6100 34.9889 176.5534 *53 C 4.5717 8.0273 123.3010 57.9691 31.2230 175.3974 54 I 4.2811 8.4135 116.9610 62.7221 38.5645 177.0011 55 E 3.9534 8.3471 119.3281 59.8443 29.2700 178.4278 56 C 4.5054 7.9961 112.0709 60.3776 28.6266 173.9379 57 Q 4.2067 7.9601 120.9728 57.1414 29.4334 176.0950 58 A 4.4046 8.0148 121.4058 54.2434 20.2257 177.9683 59 N 4.5587 7.7145 114.1647 52.5881 38.2737 177.6245 60 Q 4.2057 8.4028 118.4375 54.2384 28.9668 176.6264 61 A 4.0014 8.5840 125.7070 53.6479 18.8954 177.9476 62 S 4.5478 8.2830 117.0566 57.0083 66.0793 171.2255 63 A 4.0644 8.8709 121.5207 58.2150 18.2118 180.3449 64 T 4.0347 8.1422 109.3258 64.8407 69.0857 179.1223 65 S 4.3598 8.5657 121.3759 61.8349 62.6904 177.8452 66 E 4.7023 7.9911 119.3864 54.2678 27.9700 177.8842 67 E 4.7167 7.9427 115.9285 56.7295 36.7060 175.7209 68 C 3.6264 7.6293 118.4126 59.3350 31.0534 172.2275 69 T 4.8710 8.1702 117.0362 59.8354 72.3654 172.3512 70 V 5.1000 8.3579 119.1849 61.5950 35.0412 174.6300 71 A 4.9021 8.9351 124.6062 50.5262 23.0265 175.3885 72 W 4.8190 9.1569 120.3727 55.2842 32.3656 176.4092 73 G 3.2249 8.3110 111.4326 44.5134 0.0000 174.0863 74 V 3.4380 8.0450 129.9150 64.5518 30.6536 175.3980 75 C 3.8728 8.0950 110.0489 58.1836 27.6218 173.9979 76 N 4.2430 8.6314 124.1547 56.9752 38.8714 174.0945 77 H 3.9471 7.2760 113.8809 56.5243 28.9003 174.1326 78 A 4.7055 8.0408 126.0357 50.5425 20.4541 175.8105 79 F 4.6199 8.5087 118.2781 55.5578 43.4213 175.9272 80 H 4.6923 8.5929 116.5914 56.7068 28.9298 174.4333 81 F 4.7032 8.8131 118.3768 61.5067 39.9873 178.0709 82 H 4.3811 8.2770 114.3595 57.9540 28.3544 176.6906 83 C 4.3522 7.8929 117.8140 61.4960 28.6752 174.7413 84 I 4.0297 7.8852 118.7405 62.4702 37.7486 176.8865 85 S 4.2637 7.7789 113.9011 60.8846 62.2769 176.1562 86 R 4.3938 7.9106 115.2808 56.1743 28.9368 177.1592 87 W 4.9135 8.9329 128.3102 57.5371 33.3407 175.2317 88 L 4.5752 7.1546 119.8652 52.9921 39.9741 175.7515 89 K 4.5702 7.1182 115.2110 57.9362 38.9484 178.5493 90 T 3.9987 7.8750 116.6930 66.0178 69.0269 174.6599 91 R 4.5861 6.5245 119.1573 56.1987 32.4882 176.7426 92 Q 4.3640 7.9705 109.7792 57.7908 33.9444 170.3951 93 V 4.6051 7.3910 114.1938 59.7121 32.8482 180.6031 94 C 3.1923 8.8704 125.1705 57.7625 31.8262 172.3480 95 P 4.3917 0.0000 0.0000 64.8527 31.3384 177.1326 96 L 4.4053 7.8108 118.1966 56.1070 43.2892 176.3185 97 D 5.0766 7.5981 120.2739 53.0641 39.4463 176.5708 98 N 5.0577 8.6973 110.0951 52.7971 42.3867 174.5935 99 R 3.7822 7.8258 116.4904 55.4275 30.5594 175.0896 100 E 3.9318 9.0471 121.4326 56.6323 30.0643 177.4482 101 W 4.4947 8.4195 135.0000 57.5268 30.1522 174.9701 102 E 4.5408 8.1791 125.0534 55.0157 32.0569 174.6063 103 F 3.6719 8.6579 122.7655 56.2869 40.2040 176.3773 104 Q 4.2333 8.7155 126.5854 54.7441 27.9767 175.6157 105 K 4.2123 8.4316 123.7965 56.3601 32.9320 175.7855 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 19 K 8.31 4.43 0.00 1.75 1.80 0.00 1.70 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 20 K 7.95 4.71 0.00 1.84 0.96 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 21 R 9.35 4.45 0.00 1.58 1.59 0.00 3.10 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 1.46 1.61 0.00 22 F 7.96 4.77 0.00 2.98 2.84 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 0.00 23 E 8.44 4.77 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 24 V 8.28 3.91 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 0.87 0.00 0.00 0.79 0.00 0.00 25 K 8.81 4.38 0.00 1.79 1.87 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.48 7.81 26 K 7.71 4.77 0.00 1.79 1.68 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.40 7.81 27 W 8.55 4.85 0.00 3.36 2.99 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 28 N 7.56 4.39 0.00 2.35 2.56 0.00 0.00 7.06 7.35 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 29 A 8.21 4.38 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 30 V 8.27 4.33 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 0.83 0.00 0.00 0.85 0.00 0.00 31 A 8.27 4.77 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 32 L 8.39 4.85 0.00 1.62 1.54 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.24 4.96 0.00 3.20 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 34 A 8.16 4.10 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 35 W 8.72 4.18 0.00 3.38 3.31 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 36 D 8.86 4.57 0.00 2.69 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 37 I 8.27 3.86 1.91 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 1.35 0.75 0.95 0.00 0.00 38 V 8.13 4.24 2.24 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 0.88 0.00 0.00 1.00 0.00 0.00 39 V 8.34 3.68 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 0.83 0.00 0.00 0.92 0.00 0.00 40 D 8.01 4.27 0.00 2.95 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.11 4.98 0.00 2.57 2.59 0.00 0.00 6.51 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 42 C 7.54 4.35 0.00 2.88 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 43 A 7.47 4.36 1.10 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 0.00 0.00 44 I 7.61 4.35 1.81 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.79 0.00 0.00 45 C 8.02 4.62 0.00 3.01 2.94 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 46 R 7.21 3.93 0.00 1.96 2.28 0.00 2.58 0.00 0.00 3.89 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 47 N 7.69 5.11 0.00 2.37 2.64 0.00 0.00 6.82 7.90 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 *48 H 8.88 4.74 0.00 2.68 2.96 0.00 7.09 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.64 3.85 1.76 0.00 0.00 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 0.96 0.84 0.76 0.00 0.00 *53 C 8.03 4.57 0.00 3.03 1.67 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 54 I 8.41 4.28 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 1.41 0.70 0.92 0.00 0.00 55 E 8.35 3.95 0.00 2.07 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 2.45 2.36 0.00 56 C 8.00 4.51 0.00 2.97 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 57 Q 7.96 4.21 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 58 A 8.01 4.40 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 59 N 7.71 4.56 0.00 2.71 2.62 0.00 0.00 6.99 7.31 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 60 Q 8.40 4.21 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 61 A 8.58 4.00 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 62 S 8.28 4.55 0.00 3.62 3.72 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 63 A 8.87 4.06 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 64 T 8.14 4.03 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 65 S 8.57 4.36 0.00 3.64 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 66 E 7.99 4.70 0.00 2.00 1.81 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 2.26 2.12 0.00 67 E 7.94 4.72 0.00 1.92 1.81 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 2.08 1.80 0.00 68 C 7.63 3.63 0.00 2.88 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 69 T 8.17 4.87 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 70 V 8.36 5.10 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 0.54 0.00 0.00 0.89 0.00 0.00 71 A 8.94 4.90 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 72 W 9.16 4.82 0.00 3.19 3.16 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 73 G 8.31 3.22 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 0.00 74 V 8.05 3.44 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 0.89 0.00 0.00 1.06 0.00 0.00 75 C 8.09 3.87 0.00 3.45 3.56 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 76 N 8.63 4.24 0.00 2.69 2.93 0.00 0.00 7.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.28 3.95 0.00 3.35 3.22 0.00 5.89 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 78 A 8.04 4.71 0.07 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 0.00 0.00 79 F 8.51 4.62 0.00 2.85 2.81 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 80 H 8.59 4.69 0.00 3.10 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.81 4.70 0.00 3.40 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 82 H 8.28 4.38 0.00 3.28 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.89 4.35 0.00 3.03 3.02 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 84 I 7.89 4.03 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 1.10 0.00 0.00 85 S 7.78 4.26 0.00 3.56 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.39 0.00 2.02 2.06 0.00 3.11 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 87 W 8.93 4.91 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 88 L 7.15 4.58 0.00 1.70 1.67 1.59 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.12 4.57 0.00 1.61 1.71 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.43 7.81 90 T 7.87 4.00 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 1.10 0.00 0.00 91 R 6.52 4.59 0.00 1.83 1.69 0.00 3.31 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 92 Q 7.97 4.36 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.27 1.90 0.00 93 V 7.39 4.61 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 0.89 0.00 0.00 0.93 0.00 0.00 94 C 8.87 3.19 0.00 2.84 3.04 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 95 P 0.00 4.39 0.00 2.03 1.74 0.00 2.55 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.99 0.00 96 L 7.81 4.41 0.00 1.58 1.64 0.74 0.94 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 97 D 7.60 5.08 0.00 2.84 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.70 5.06 0.00 2.72 2.88 0.00 0.00 6.72 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 99 R 7.83 3.78 0.00 1.99 2.02 0.00 3.43 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 100 E 9.05 3.93 0.00 1.92 2.23 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 2.39 2.35 0.00 101 W 8.42 4.49 0.00 3.52 3.29 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 0.00 102 E 8.18 4.54 0.00 1.82 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 2.26 2.39 0.00 103 F 8.66 3.67 0.00 2.85 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 0.00 104 Q 8.72 4.23 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 5.74 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 105 K 8.43 4.21 0.00 1.91 1.83 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.