NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9796 8.3549 109.7354 45.6575 0.0000 173.1316 4 D 4.6266 7.7381 115.5275 58.8051 41.7160 175.6595 5 T 3.5304 6.3339 112.6554 58.4552 67.7928 170.8578 6 T 5.0958 8.2446 117.9602 60.0209 71.6230 173.2317 7 I 4.7728 8.6687 122.1747 59.7354 42.2688 174.2588 8 T 5.0670 8.3991 121.6894 62.2536 71.9605 173.2240 9 I 4.4425 9.2484 128.1430 59.4019 40.1877 175.0392 10 V 4.7515 8.0270 126.9013 60.8194 32.4061 174.1502 11 G 4.0737 8.0775 116.8471 45.2948 0.0000 168.3751 12 N 5.9321 8.5865 117.0545 50.2685 42.0857 174.3830 13 L 4.6507 8.4295 123.2890 55.1493 42.2864 178.1511 14 T 3.7105 8.7128 114.9688 64.1564 69.4845 173.7608 15 A 4.9338 7.7080 122.7092 50.3722 22.9235 173.4925 16 D 5.0139 8.6316 114.7818 51.9114 42.6501 174.9751 17 P 4.3023 0.0000 0.0000 63.7315 31.7332 175.4132 18 E 4.4442 9.2357 124.8669 54.7443 30.2910 175.2030 19 L 4.7142 8.3346 126.7811 54.8699 43.5771 175.6834 20 R 4.8665 8.0883 121.0777 55.3306 35.3517 173.7283 21 F 5.2829 8.8543 119.0506 55.9808 41.4464 175.4349 22 T 4.4802 9.4683 114.6902 59.7014 70.0497 174.0931 23 P 4.6194 0.0000 0.0000 65.5694 31.0800 177.3706 24 S 4.2294 8.0375 112.1064 59.2200 63.2537 175.1047 25 G 3.9821 9.5911 110.0779 45.1353 0.0000 173.2971 26 A 4.5476 7.6760 122.1550 51.2950 20.1561 177.2783 27 A 4.2160 8.3841 123.0056 51.3515 21.3498 176.7225 28 V 3.9398 7.8834 117.4113 61.9898 35.3590 172.1521 29 A 5.0866 8.7637 130.5083 50.2188 21.7856 174.7632 30 N 5.4345 8.3735 118.5080 51.5397 42.2762 173.7950 31 F 4.8541 7.8196 113.6831 56.4225 41.8481 172.4304 32 T 4.6603 8.3463 116.7789 60.5993 69.4889 172.9787 33 V 4.6071 9.1398 129.4062 61.6254 33.4314 174.1478 34 A 4.7507 8.9816 130.5901 50.3404 20.8335 175.2508 35 S 5.0259 8.8696 118.0062 57.0268 65.4182 173.0852 36 T 4.5360 8.3866 117.1879 61.2354 70.1426 175.8448 *51 E 4.1256 8.4554 121.9186 55.9599 31.3430 173.3936 52 A 4.8288 7.9726 122.7303 50.7313 21.5748 175.7347 53 L 4.6594 8.7705 126.2050 54.0562 43.7286 175.5383 54 F 5.0116 9.2255 126.5085 56.2257 40.0409 175.1859 55 L 4.7118 8.9713 128.0377 53.4145 43.7159 177.2180 56 R 4.4183 8.5495 124.7233 56.7697 30.8762 171.6670 57 C 5.1373 8.5062 119.8818 57.2908 32.2026 172.8166 58 N 5.1361 8.9969 118.1442 51.6195 42.4390 173.4707 59 I 4.8629 8.1651 121.1019 59.6268 41.9277 174.2515 60 W 5.0269 9.0236 128.2309 54.6694 32.2335 175.9849 61 R 3.6413 8.7718 120.0236 57.4770 28.8675 176.8516 62 E 3.9285 9.0098 115.0936 62.5139 29.4085 174.7921 63 A 4.1646 8.2391 120.8625 55.2146 18.2171 179.1850 64 A 3.8636 8.1379 118.8899 55.5328 18.3496 179.3566 65 E 3.8177 8.1038 116.0249 59.9714 29.7506 179.1029 66 N 4.1254 8.2385 116.0470 56.6501 38.5541 177.5176 67 V 3.3950 7.9369 119.0715 65.8775 31.4596 177.7628 68 A 3.9006 7.6558 119.5364 55.2954 18.3185 178.6416 69 E 4.0661 8.7102 117.3876 58.6967 29.6864 177.6568 70 S 4.6559 7.7182 108.4325 57.2987 64.2577 173.3837 71 L 4.7586 8.1636 121.2802 53.4039 44.0411 175.4668 72 T 4.7658 7.9115 110.2248 59.6319 72.3828 173.1256 73 R 4.1052 9.0316 120.5216 56.4221 30.8717 176.8026 74 G 3.8899 9.0847 107.4234 46.2762 0.0000 173.1292 75 A 4.6465 7.3997 122.4356 50.5488 21.2796 178.6001 76 R 4.6303 8.5232 122.6178 57.1140 30.6433 174.2738 77 V 4.9491 8.9398 117.0447 58.7652 36.2103 174.3816 78 I 4.7663 8.2260 124.1647 59.6514 39.5230 174.8232 79 V 4.8527 9.0382 127.0957 61.0771 34.6140 173.9147 80 S 5.0713 8.5072 122.5424 56.8492 64.9531 172.9871 81 G 4.2674 8.9161 112.9506 46.4637 0.0000 171.8397 82 R 5.0380 7.9721 119.8054 54.2522 34.4181 175.3367 83 L 4.5186 8.0849 122.8501 55.0568 42.8472 176.3050 84 K 4.7168 8.6770 120.2248 56.0067 37.3621 174.0577 85 Q 4.9717 8.3846 117.6997 55.7806 32.4630 175.3305 86 R 4.3122 10.3110 115.0000 57.2460 29.6188 174.8619 87 S 4.4449 8.1887 114.9475 59.1774 68.4826 175.2479 *97 T 4.1184 8.3772 107.1651 61.5796 70.3808 173.2055 98 V 4.4867 7.8185 120.0932 61.2728 34.9937 173.7490 99 I 4.9336 8.0476 122.2204 59.2648 38.4528 175.3110 100 E 4.7802 8.7013 125.0692 54.4925 33.9690 174.2914 101 V 4.6188 8.4520 119.9945 61.1756 33.8841 175.2178 102 E 4.5241 9.4449 132.1749 53.9828 27.7493 174.4600 103 V 3.7328 7.8665 121.0439 64.2816 32.1185 174.6761 104 D 4.8807 9.2326 126.7563 55.6717 42.1899 176.3205 105 E 4.8873 7.9869 117.0452 54.6893 33.2369 174.4054 106 I 4.9823 7.9872 121.5160 60.1313 41.4384 173.5077 107 G 4.0734 8.1423 112.3752 44.9711 0.0000 170.8321 108 P 4.7773 0.0000 0.0000 62.2905 32.2760 176.3474 109 S 4.3874 9.0510 119.0681 57.1088 63.0437 173.8384 110 L 4.7806 8.2335 127.7878 54.6414 41.8406 178.6088 111 R 3.8974 7.0707 119.8193 58.4845 30.3343 177.2333 112 Y 4.8450 7.1733 113.5396 57.2724 38.6304 175.1774 113 A 4.4469 7.3696 120.4590 52.0268 21.7977 176.0986 114 T 4.6014 7.8195 108.9269 59.8471 71.5885 173.6191 115 A 4.2338 7.8951 119.7390 51.7819 21.6641 176.3242 116 K 4.6976 8.6589 122.3920 55.1804 35.0150 177.1825 117 V 4.2347 7.3524 115.8793 62.0386 32.3055 175.9726 118 N 4.7254 10.0737 127.5410 55.4319 39.8075 173.2659 119 K 4.4768 8.5386 123.0836 52.5407 37.8428 178.9093 120 A 3.9159 8.3961 115.8830 54.0578 18.2957 180.0138 121 S 4.8531 8.6098 118.2524 59.2451 61.0298 174.2305 122 R 4.4817 8.2588 135.0000 56.4193 29.2708 176.4618 *123 S 4.6046 8.5480 112.7053 60.9291 63.1968 174.2559 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 3 G 8.35 3.98 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 0.00 0.00 0.00 4 D 7.74 4.63 0.00 2.69 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 5 T 6.33 3.53 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 6 T 8.24 5.10 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 1.26 0.00 0.00 7 I 8.67 4.77 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 1.24 1.46 0.96 0.00 0.00 8 T 8.40 5.07 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 1.25 0.00 0.00 9 I 9.25 4.44 1.89 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 1.12 0.77 0.92 0.00 0.00 10 V 8.03 4.75 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 1.12 0.00 0.00 0.93 0.00 0.00 11 G 8.08 4.07 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 0.00 12 N 8.59 5.93 0.00 2.56 2.66 0.00 0.00 6.98 7.55 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 13 L 8.43 4.65 0.00 1.60 1.76 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.71 3.71 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 1.12 0.00 0.00 15 A 7.71 4.93 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 16 D 8.63 5.01 0.00 2.56 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 17 P 0.00 4.30 0.00 1.97 1.87 0.00 3.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 18 E 9.24 4.44 0.00 1.93 1.94 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 2.27 2.44 0.00 19 L 8.33 4.71 0.00 1.63 1.57 0.93 0.41 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 20 R 8.09 4.87 0.00 1.68 1.75 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 21 F 8.85 5.28 0.00 2.82 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 22 T 9.47 4.48 4.34 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 1.31 0.00 0.00 23 P 0.00 4.62 0.00 2.23 2.29 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 24 S 8.04 4.23 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 25 G 9.59 3.98 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 0.00 0.00 0.00 26 A 7.68 4.55 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 27 A 8.38 4.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.94 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 0.25 0.00 0.00 29 A 8.76 5.09 1.18 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 30 N 8.37 5.43 0.00 2.68 2.61 0.00 0.00 6.46 8.16 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 31 F 7.82 4.85 0.00 2.98 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 32 T 8.35 4.66 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 1.25 0.00 0.00 33 V 9.14 4.61 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 0.97 0.00 0.00 1.09 0.00 0.00 34 A 8.98 4.75 0.62 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 0.00 0.00 35 S 8.87 5.03 0.00 3.88 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 36 T 8.39 4.54 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 1.21 0.00 0.00 *51 E 8.46 4.13 0.00 2.04 1.90 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 2.13 1.89 0.00 52 A 7.97 4.83 1.53 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 53 L 8.77 4.66 0.00 1.79 1.62 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.23 5.01 0.00 2.79 3.03 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 0.00 0.00 0.00 55 L 8.97 4.71 0.00 1.56 1.55 0.93 0.74 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 56 R 8.55 4.42 0.00 1.50 1.80 0.00 3.18 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 57 C 8.51 5.14 0.00 1.35 2.19 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 0.00 58 N 9.00 5.14 0.00 2.86 2.40 0.00 0.00 6.57 7.08 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 59 I 8.17 4.86 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.79 0.98 0.00 0.00 60 W 9.02 5.03 0.00 3.27 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 61 R 8.77 3.64 0.00 2.04 1.99 0.00 3.38 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 62 E 9.01 3.93 0.00 1.97 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 2.33 1.98 0.00 63 A 8.24 4.16 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 64 A 8.14 3.86 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 65 E 8.10 3.82 0.00 2.20 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 2.43 2.37 0.00 66 N 8.24 4.13 0.00 2.85 2.87 0.00 0.00 6.77 7.27 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 67 V 7.94 3.40 2.12 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 0.62 0.00 0.00 0.81 0.00 0.00 68 A 7.66 3.90 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 69 E 8.71 4.07 0.00 1.96 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 0.00 2.32 2.37 0.00 70 S 7.72 4.66 0.00 3.96 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 71 L 8.16 4.76 0.00 1.51 1.43 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.91 4.77 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 73 R 9.03 4.11 0.00 1.84 1.92 0.00 3.26 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 74 G 9.08 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.40 4.65 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 76 R 8.52 4.63 0.00 1.52 1.84 0.00 3.20 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 77 V 8.94 4.95 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 0.94 0.00 0.00 1.02 0.00 0.00 78 I 8.23 4.77 1.87 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 1.10 1.14 0.91 0.00 0.00 79 V 9.04 4.85 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 1.05 0.00 0.00 1.07 0.00 0.00 80 S 8.51 5.07 0.00 3.94 3.68 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 81 G 8.92 4.27 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 0.00 82 R 7.97 5.04 0.00 1.67 1.77 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 83 L 8.08 4.52 0.00 1.66 1.60 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.68 4.72 0.00 1.68 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 85 Q 8.38 4.97 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 5.46 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 86 R 10.31 4.31 0.00 1.84 2.31 0.00 3.27 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 87 S 8.19 4.44 0.00 3.78 3.55 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 *97 T 8.38 4.12 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 1.22 0.00 0.00 98 V 7.82 4.49 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 0.86 0.00 0.00 0.93 0.00 0.00 99 I 8.05 4.93 1.88 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 1.49 1.83 0.95 0.00 0.00 100 E 8.70 4.78 0.00 1.89 1.82 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 2.27 2.26 0.00 101 V 8.45 4.62 2.01 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 1.03 0.00 0.00 0.92 0.00 0.00 102 E 9.44 4.52 0.00 2.05 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 2.20 2.31 0.00 103 V 7.87 3.73 2.41 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 0.97 0.00 0.00 1.03 0.00 0.00 104 D 9.23 4.88 0.00 2.75 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 0.00 105 E 7.99 4.89 0.00 1.86 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 2.29 2.21 0.00 106 I 7.99 4.98 1.96 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 1.13 0.47 0.93 0.00 0.00 107 G 8.14 4.07 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 0.00 108 P 0.00 4.78 0.00 1.93 1.97 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 109 S 9.05 4.39 0.00 3.84 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 0.00 110 L 8.23 4.78 0.00 1.64 1.63 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.07 3.90 0.00 1.48 1.56 0.00 2.78 0.00 0.00 2.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 112 Y 7.17 4.85 0.00 3.02 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 0.00 113 A 7.37 4.45 1.24 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 0.00 0.00 0.00 114 T 7.82 4.60 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 1.22 0.00 0.00 115 A 7.90 4.23 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 0.00 116 K 8.66 4.70 0.00 1.74 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.38 7.81 117 V 7.35 4.23 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 0.70 0.00 0.00 0.92 0.00 0.00 118 N 10.07 4.73 0.00 2.86 2.87 0.00 0.00 6.46 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 0.00 119 K 8.54 4.48 0.00 1.76 1.37 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.00 7.81 120 A 8.40 3.92 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 0.00 121 S 8.61 4.85 0.00 3.71 4.08 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 0.00 0.00 0.00 0.00 122 R 8.26 4.48 0.00 1.82 1.64 0.00 3.34 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *123 S 8.55 4.60 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.