NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8602 8.0932 114.8318 57.6998 64.5829 174.2676 2 L 3.9718 8.6408 120.5600 57.3082 41.3350 178.2582 3 L 3.9786 8.5876 121.6069 58.3390 42.5379 178.6857 4 E 4.0500 8.0464 117.9145 59.2839 29.4059 178.9023 5 F 4.6712 8.6051 120.8688 61.5503 39.4717 177.3956 6 G 3.5308 8.5751 105.6885 47.5952 0.0000 175.5279 7 K 4.0144 8.0943 121.6534 59.6316 32.1737 178.8369 8 M 4.1170 8.2395 118.9921 58.4597 31.7718 178.8432 9 I 3.6391 7.8824 120.0414 64.1144 37.1442 178.2723 10 L 4.5066 7.9732 122.5131 57.8528 41.7686 178.7518 11 E 3.9785 8.1943 117.3149 59.5496 29.4798 178.8384 12 E 4.2391 8.3848 117.6969 58.4427 29.9128 178.1786 13 T 4.4069 8.3476 108.1153 61.1211 70.0816 176.0022 14 G 3.8388 8.3292 110.4305 45.5742 0.0000 173.2555 *16 K 4.2275 7.4650 117.6667 55.8720 33.5497 175.0081 17 L 4.3795 8.2192 122.0095 54.4002 42.3792 177.9453 18 A 4.0584 8.9305 126.9437 54.5014 18.5519 176.9674 19 I 4.7067 7.6933 116.2226 59.2724 38.7083 173.5209 20 P 5.1197 0.0000 0.0000 61.8242 31.8110 177.3827 21 S 4.1704 8.0711 116.5342 61.2664 62.6962 174.5454 22 Y 4.5551 8.2128 115.0496 57.5336 39.2519 176.2419 23 S 4.6671 7.8414 114.9640 59.1186 63.7035 175.5524 24 S 4.8689 7.8461 114.9575 58.5626 63.7275 172.0573 25 Y 4.7146 8.4872 123.2361 57.7990 39.8836 175.7638 26 G 3.2772 7.9640 117.2460 46.5412 0.0000 172.6713 27 C 4.4354 8.8265 114.1857 58.3249 40.9114 174.4940 28 Y 4.2940 8.5952 115.0003 57.9282 39.6328 175.7289 29 C 4.8412 8.5045 118.8354 54.5736 39.2476 173.9274 30 G 4.1268 7.8006 110.3798 45.3304 0.0000 169.2182 31 W 4.2835 8.6999 130.3810 58.1912 31.7826 179.0481 32 G 3.5198 7.5693 113.0555 46.9972 0.0000 171.8629 33 G 4.3676 7.7341 118.1376 44.9766 0.0000 171.7297 34 K 4.4723 7.3902 122.9277 56.5338 35.4237 176.0906 35 G 4.0398 9.0737 108.1792 44.7866 0.0000 172.8134 36 T 4.1873 8.0725 115.2457 61.7412 69.0169 173.4989 37 P 4.5914 0.0000 0.0000 63.0056 31.8759 176.8451 38 K 3.7709 9.3845 122.3637 59.1773 32.1922 176.3677 39 D 4.3553 7.3191 115.3720 51.6458 42.0070 175.5370 40 A 4.0051 8.6430 119.9250 56.1284 18.0328 179.8456 41 T 3.9963 8.0629 113.5188 67.0092 68.4994 176.1696 42 D 4.5570 8.8172 119.9695 57.5265 41.1618 178.4634 43 R 3.9392 8.4672 118.9599 59.2997 29.9849 178.2094 44 C 4.2177 8.3385 116.4355 60.4833 40.8340 175.6866 45 C 4.3482 8.1897 118.0720 59.6639 40.9790 175.6791 46 F 3.5891 8.3867 122.6801 61.3140 38.8226 177.3499 47 V 3.2535 8.0938 117.9552 66.0841 31.1996 177.2966 48 H 3.8049 8.1351 117.8866 59.3285 29.5468 176.8736 49 D 4.1195 8.0142 120.6569 57.5199 40.3997 178.1758 50 C 4.0157 7.4243 115.7935 59.9039 35.7795 175.1098 51 C 4.2875 8.2558 120.3356 59.9932 44.4163 175.2081 52 Y 4.1665 8.1939 118.8088 61.0585 37.2248 178.7915 53 G 3.6960 8.2635 105.2740 46.6198 0.0000 174.3060 54 N 4.8415 7.5248 117.2401 52.4823 40.2017 175.4428 55 L 4.7981 7.6909 119.9991 53.2717 41.8460 176.3184 56 P 4.2872 0.0000 0.0000 65.3060 32.0192 177.3947 57 D 4.5865 7.9570 116.3763 53.6601 39.6366 175.6737 58 C 5.0968 7.8420 116.7484 55.6100 42.2235 174.0858 59 N 4.8569 8.8832 116.8670 50.4373 38.1366 173.5177 60 P 3.7491 0.0000 0.0000 65.0855 31.9810 178.0361 *69 K 4.5544 7.9440 116.2559 55.6305 33.9243 177.3693 70 S 4.6267 7.8799 110.8454 58.6482 64.7894 174.3692 71 D 4.4633 8.3010 122.1756 54.2831 40.9153 176.1751 72 R 4.3683 8.4445 123.3550 55.7833 31.2104 175.0556 73 Y 4.9664 7.7068 116.8330 55.8284 41.2248 173.9493 74 K 4.9618 8.6846 118.6543 54.9952 35.9180 174.8495 75 Y 5.6948 8.4470 119.5059 55.4594 41.6050 173.2939 76 K 4.6713 9.3315 118.1820 55.5132 37.0043 174.9676 77 R 5.1250 8.5549 118.9809 54.4439 32.5290 176.0038 78 V 4.3095 8.5019 123.3386 62.1555 34.1384 175.0839 79 N 4.4710 10.0102 124.5514 54.4329 35.9637 175.3344 80 G 3.9550 8.7636 104.7355 45.2579 0.0000 173.6231 81 A 4.8325 7.6139 121.3282 49.6849 22.1709 175.3931 82 I 4.3805 8.2504 120.8473 61.5224 38.1934 176.0007 83 V 4.3888 9.4357 126.2991 61.1372 34.3337 173.8333 84 C 4.8237 8.9124 126.2318 56.5826 35.5521 175.2635 85 E 4.2932 8.3473 121.2828 56.3930 28.3869 178.2676 86 K 4.4976 8.6407 122.2535 57.6082 33.8831 176.8350 *88 G 3.8968 7.6405 106.9501 45.5181 0.0000 173.1136 89 T 4.1762 8.2855 112.7073 61.1463 71.0044 175.5105 90 S 4.0237 8.4692 115.2103 61.7121 62.3380 176.7810 91 C 4.1870 8.0713 118.5588 60.0869 40.8479 175.6596 92 E 3.8937 8.1313 120.0147 59.6200 29.0760 179.3115 93 N 4.2499 8.3415 116.5552 56.3547 38.5118 177.8164 94 R 3.8398 7.8547 119.4417 59.0802 30.0678 179.1169 95 I 3.4881 7.6289 119.6471 64.4404 37.1171 177.3722 96 C 3.2566 7.3606 119.1040 59.6979 44.3800 175.6879 97 E 3.8381 7.8664 119.8304 59.3863 28.9735 178.5329 98 C 4.1526 8.2600 116.8088 60.1631 41.0374 176.0434 99 D 3.7671 8.1685 120.5046 56.9675 40.4312 178.6049 100 K 3.7545 8.3793 120.2781 59.5649 32.1127 178.5984 101 A 3.9034 8.0120 120.6735 55.0141 18.1626 179.5507 102 A 3.4953 7.6611 118.6869 55.0177 18.4419 179.7493 103 A 3.7137 8.0374 119.4585 55.2557 18.3762 179.9913 104 I 3.6309 7.7047 118.3351 64.4820 36.9345 177.6779 105 C 4.3982 7.8212 119.7350 59.0467 38.0473 175.3155 106 F 4.6074 8.0192 119.5559 60.7214 38.5827 177.4424 107 R 3.9465 8.0522 118.0719 59.8612 29.9215 178.5915 108 Q 4.1790 8.6191 117.6693 57.9759 28.5505 177.6046 109 N 5.0968 7.7242 115.6733 52.8626 39.4087 176.5062 110 L 4.2058 8.0565 121.9060 57.6105 41.7985 179.2719 111 N 4.4927 8.3312 115.2150 55.0522 37.2515 175.5129 112 T 4.5862 7.8296 106.6437 60.9239 69.5020 173.3817 113 Y 4.1217 7.8668 123.7089 58.2512 39.3193 175.2742 114 S 4.7015 8.7291 121.2122 56.0383 64.9399 174.8167 115 K 4.0551 8.8029 127.4691 59.1482 32.0219 178.9887 116 K 3.9352 7.2811 116.7476 58.9969 32.5571 177.2039 117 Y 4.4806 7.2181 116.6567 58.2426 38.2215 175.5315 118 M 4.4020 7.4924 120.1157 55.9995 32.6535 175.5854 119 L 3.6423 8.4805 119.0905 55.9590 39.8367 174.6723 120 Y 4.1364 8.1671 119.8997 56.0341 39.5142 172.9150 121 P 4.4123 0.0000 0.0000 62.3105 32.3063 176.8860 122 D 4.2927 8.9382 122.8959 57.2637 40.9145 178.3667 *124 F 4.7478 7.8658 111.5364 56.4303 39.5284 175.4648 125 L 3.8777 6.8919 119.6608 55.1550 41.5554 175.7529 126 C 4.8979 8.1718 117.4760 54.9249 36.3874 173.2536 127 K 4.6518 8.4584 124.9661 55.3779 35.4394 175.8335 128 G 4.1162 8.7872 110.6249 45.2745 0.0000 172.6574 129 E 4.4991 8.5125 121.0092 55.6028 29.8485 176.8509 130 L 4.6058 8.2887 126.4713 52.0867 42.1067 175.2399 131 K 4.0933 8.3213 122.3729 56.4657 32.9059 177.9113 132 C 4.5640 8.7002 118.2936 57.4036 41.2354 173.6728 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 1 S 8.09 4.86 0.00 4.16 4.28 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 2 L 8.64 3.97 0.00 1.90 1.95 1.06 0.40 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 3 L 8.59 3.98 0.00 1.77 1.67 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.05 4.05 0.00 1.86 1.71 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 1.52 2.21 0.00 5 F 8.61 4.67 0.00 3.34 3.14 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 6 G 8.58 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 7 K 8.09 4.01 0.00 2.05 2.17 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.73 1.56 7.81 8 M 8.24 4.12 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.01 0.00 9 I 7.88 3.64 1.85 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.46 0.70 0.00 0.00 10 L 7.97 4.51 0.00 1.77 1.84 0.96 0.70 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 11 E 8.19 3.98 0.00 2.19 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 2.41 2.55 0.00 12 E 8.38 4.24 0.00 1.98 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 0.00 2.52 2.44 0.00 13 T 8.35 4.41 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 1.26 0.00 0.00 14 G 8.33 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 0.00 0.00 0.00 0.00 *16 K 7.46 4.23 0.00 1.92 1.71 0.00 1.49 0.00 0.00 1.20 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.31 7.81 17 L 8.22 4.38 0.00 1.71 1.76 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.93 4.06 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 19 I 7.69 4.71 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 1.54 0.74 0.96 0.00 0.00 20 P 0.00 5.12 0.00 2.23 2.28 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 21 S 8.07 4.17 0.00 3.93 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 22 Y 8.21 4.56 0.00 2.84 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 23 S 7.84 4.67 0.00 4.07 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 0.00 24 S 7.85 4.87 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 25 Y 8.49 4.71 0.00 2.99 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 26 G 7.96 3.28 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 0.00 27 C 8.83 4.44 0.00 2.98 2.86 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 0.00 0.00 0.00 0.00 28 Y 8.60 4.29 0.00 3.34 3.12 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 0.00 0.00 0.00 29 C 8.50 4.84 0.00 3.42 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.80 4.13 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 0.00 0.00 0.00 31 W 8.70 4.28 0.00 3.40 3.06 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 0.00 0.00 0.00 32 G 7.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.73 4.37 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 0.00 34 K 7.39 4.47 0.00 1.97 1.75 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.57 7.81 35 G 9.07 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 36 T 8.07 4.19 4.21 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 1.13 0.00 0.00 37 P 0.00 4.59 0.00 1.91 1.99 0.00 3.44 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 38 K 9.38 3.77 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.94 0.21 7.81 39 D 7.32 4.36 0.00 2.81 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 40 A 8.64 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 42 D 8.82 4.56 0.00 2.98 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 43 R 8.47 3.94 0.00 2.09 1.99 0.00 3.14 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 44 C 8.34 4.22 0.00 3.43 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 45 C 8.19 4.35 0.00 3.34 3.49 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 0.00 0.00 0.00 0.00 46 F 8.39 3.59 0.00 2.43 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 47 V 8.09 3.25 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 0.90 0.00 0.00 1.05 0.00 0.00 48 H 8.14 3.80 0.00 3.12 3.27 0.00 5.65 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 49 D 8.01 4.12 0.00 2.84 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 50 C 7.42 4.02 0.00 2.78 2.89 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 51 C 8.26 4.29 0.00 2.94 3.07 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 52 Y 8.19 4.17 0.00 2.96 2.83 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 53 G 8.26 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 0.00 0.00 0.00 54 N 7.52 4.84 0.00 2.80 2.78 0.00 0.00 6.76 7.81 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 55 L 7.69 4.80 0.00 1.65 1.46 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.29 0.00 2.15 2.15 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 57 D 7.96 4.59 0.00 2.78 2.78 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 58 C 7.84 5.10 0.00 2.92 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 59 N 8.88 4.86 0.00 3.04 2.69 0.00 0.00 7.45 7.86 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 60 P 0.00 3.75 0.00 0.67 0.55 0.00 3.52 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 1.60 1.70 0.00 *69 K 7.94 4.55 0.00 1.94 2.06 0.00 1.89 0.00 0.00 2.09 0.00 0.00 3.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.70 1.58 7.81 70 S 7.88 4.63 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.46 0.00 2.71 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 72 R 8.44 4.37 0.00 1.81 1.84 0.00 3.55 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 73 Y 7.71 4.97 0.00 3.07 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 74 K 8.68 4.96 0.00 1.75 1.74 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 75 Y 8.45 5.69 0.00 3.12 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 76 K 9.33 4.67 0.00 1.79 1.88 0.00 1.28 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.66 1.46 7.81 77 R 8.55 5.12 0.00 1.72 1.93 0.00 3.48 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 78 V 8.50 4.31 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 1.02 0.00 0.00 0.96 0.00 0.00 79 N 10.01 4.47 0.00 2.89 2.87 0.00 0.00 7.24 7.65 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 80 G 8.76 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 81 A 7.61 4.83 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 82 I 8.25 4.38 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.80 0.00 0.00 83 V 9.44 4.39 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 1.01 0.00 0.00 0.97 0.00 0.00 84 C 8.91 4.82 0.00 3.02 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 85 E 8.35 4.29 0.00 2.44 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 2.38 2.39 0.00 86 K 8.64 4.50 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 *88 G 7.64 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 89 T 8.29 4.18 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 1.26 0.00 0.00 90 S 8.47 4.02 0.00 3.88 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 91 C 8.07 4.19 0.00 2.98 3.07 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 92 E 8.13 3.89 0.00 2.27 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 2.64 2.41 0.00 93 N 8.34 4.25 0.00 2.66 2.80 0.00 0.00 7.09 8.46 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 94 R 7.85 3.84 0.00 1.77 1.87 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 95 I 7.63 3.49 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.81 0.00 0.00 96 C 7.36 3.26 0.00 2.02 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 97 E 7.87 3.84 0.00 2.06 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 2.41 2.41 0.00 98 C 8.26 4.15 0.00 3.17 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 99 D 8.17 3.77 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.38 3.75 0.00 1.64 1.90 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.39 7.81 101 A 8.01 3.90 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 0.00 102 A 7.66 3.50 1.04 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 0.00 103 A 8.04 3.71 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 0.00 104 I 7.70 3.63 1.87 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 1.38 0.69 0.88 0.00 0.00 105 C 7.82 4.40 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 0.00 106 F 8.02 4.61 0.00 3.00 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 0.00 107 R 8.05 3.95 0.00 2.01 2.14 0.00 3.11 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 108 Q 8.62 4.18 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 109 N 7.72 5.10 0.00 2.99 2.88 0.00 0.00 6.84 6.02 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 0.00 110 L 8.06 4.21 0.00 1.89 1.75 0.97 0.46 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 0.00 111 N 8.33 4.49 0.00 2.85 3.00 0.00 0.00 5.82 7.71 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 0.00 112 T 7.83 4.59 4.33 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 1.27 0.00 0.00 113 Y 7.87 4.12 0.00 3.00 3.01 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 0.00 114 S 8.73 4.70 0.00 3.84 3.63 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 0.00 115 K 8.80 4.06 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.53 7.81 116 K 7.28 3.94 0.00 1.60 1.71 0.00 1.22 0.00 0.00 1.43 0.00 0.00 2.65 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.77 0.21 7.81 117 Y 7.22 4.48 0.00 1.81 1.78 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 0.00 118 M 7.49 4.40 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 119 L 8.48 3.64 0.00 1.78 1.76 0.93 0.92 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 0.00 120 Y 8.17 4.14 0.00 3.07 3.01 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 0.00 121 P 0.00 4.41 0.00 2.11 2.20 0.00 2.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.79 0.00 122 D 8.94 4.29 0.00 2.83 2.83 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 *124 F 7.87 4.75 0.00 3.16 3.21 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 0.00 125 L 6.89 3.88 0.00 1.29 1.52 0.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.17 4.90 0.00 2.98 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 0.00 127 K 8.46 4.65 0.00 1.75 1.59 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 128 G 8.79 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.51 4.50 0.00 1.99 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 2.38 0.00 130 L 8.29 4.61 0.00 1.55 1.64 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.32 4.09 0.00 1.83 1.78 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 132 C 8.70 4.56 0.00 2.90 2.88 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 * Residues marked with a * may have inaccurate shift predictions.