NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8569 8.3001 120.7176 55.6160 33.4300 173.7623 2 A 4.5572 8.7972 120.3311 51.1460 23.5788 173.3665 3 L 5.1872 8.6580 118.5783 53.3217 44.7762 174.4762 4 V 4.9364 8.9299 122.7067 61.1295 34.7223 173.8763 5 F 5.2483 9.4387 131.1281 57.3354 40.1253 175.0333 6 V 4.3785 8.6630 120.6552 59.6934 33.6828 176.1625 7 Y 4.6348 7.7432 120.1084 56.0709 40.6563 176.1729 8 G 3.7233 6.5719 109.2557 45.8316 0.0000 176.2080 9 T 4.0837 7.9993 115.6217 62.8661 68.8170 175.6717 10 L 4.0521 7.3731 121.7559 55.6304 42.5211 176.9691 11 K 4.4143 7.5518 118.4459 55.7762 32.5955 176.5063 12 R 3.5723 8.7330 120.5784 58.2847 30.2621 177.7481 13 G 3.8985 8.8150 110.3464 45.3800 0.0000 173.1667 14 Q 4.5772 7.7188 118.6928 53.5153 30.6224 175.0402 15 P 4.3495 0.0000 0.0000 65.1287 31.7092 177.3834 16 N 4.8663 8.1577 114.4729 53.1990 39.0274 176.0757 17 H 4.2129 8.4134 122.7391 58.5372 29.6285 177.1909 18 R 3.8526 8.0854 117.6112 59.6216 28.6243 178.9339 19 V 3.4852 7.5767 112.3138 63.6287 31.2187 178.2447 20 L 3.7257 7.5207 117.9888 56.4587 41.4716 177.7651 21 R 4.2328 7.5226 115.7184 55.8616 31.1521 176.4280 22 D 4.5076 7.4128 118.7292 52.9287 41.2413 176.6133 23 G 3.7979 8.4293 114.5057 46.0973 0.0000 173.0243 24 A 4.0682 8.0071 122.1970 54.5236 18.7204 178.1983 25 H 4.5363 8.2386 114.0427 57.3206 29.1028 175.1890 26 G 4.1049 8.6588 107.7902 43.7278 0.0000 172.3208 27 S 4.9258 8.7712 112.8263 56.5828 66.7763 173.3769 28 A 5.2400 8.5094 122.1184 50.5572 22.0224 175.1460 29 A 4.8449 9.2150 124.6191 49.6183 22.1017 175.2241 30 F 3.6146 9.2134 125.5354 58.6449 39.4652 174.5438 31 R 4.2861 7.5113 124.4244 57.3281 32.3504 175.9960 32 A 4.1183 5.8419 116.4984 50.6340 22.5593 175.6709 33 R 4.5644 8.4861 120.4109 56.5085 31.6078 175.6045 34 G 4.7732 9.3465 111.7390 44.8627 0.0000 171.0077 35 R 5.4188 8.8686 119.6125 54.2173 33.6125 174.5476 36 T 3.9562 8.7161 116.8579 62.0541 68.7708 174.5594 37 L 4.1408 8.3318 123.6536 56.8708 42.0844 177.1984 38 E 4.8896 7.8656 116.4001 53.6239 32.0897 174.4590 39 P 4.7881 0.0000 0.0000 63.1121 33.3034 174.5856 40 Y 5.0924 8.7154 117.7670 54.5564 42.9410 172.6446 41 P 4.5403 0.0000 0.0000 62.0710 32.9346 174.8397 42 L 5.0340 8.6165 127.0167 53.4952 44.2058 175.2872 43 V 5.0197 8.6880 119.2798 59.6480 35.9582 174.7799 44 I 4.8107 8.3279 123.7474 60.1561 37.9786 174.9837 45 A 4.1707 8.7895 127.9562 51.5434 22.4880 176.5785 46 G 4.1135 8.6514 105.1882 45.2190 0.0000 174.3748 47 E 4.1478 8.5347 116.8098 58.3745 29.8151 177.7204 48 H 4.7220 8.1102 114.4243 54.2214 29.4797 174.5330 49 N 4.4861 7.9214 116.1678 54.2530 36.7369 174.6467 50 I 3.9696 7.5219 117.6963 60.5220 38.8035 174.3754 51 P 4.8020 0.0000 0.0000 61.8989 32.6294 175.2487 52 W 5.0156 9.1863 123.6841 54.7616 32.5161 174.6137 53 L 4.4158 9.0239 127.6646 54.2083 41.5742 175.3632 54 L 4.5067 8.6793 126.6926 54.3639 42.1879 177.9003 55 H 4.7576 8.9571 125.3061 54.6626 27.2382 175.6674 56 L 4.8953 7.1808 122.9590 52.3227 42.6661 175.3109 57 P 3.4518 0.0000 0.0000 64.1925 31.9718 177.4014 58 G 3.8933 9.4734 110.1318 45.1624 0.0000 172.6680 59 S 4.6616 7.4787 113.5389 57.3855 67.3049 174.9740 60 G 4.1640 8.7837 108.4100 46.0469 0.0000 174.3755 61 R 4.8406 8.7725 122.4126 53.8628 34.9622 173.9260 62 L 4.5517 8.5969 120.7505 54.9758 42.5626 176.6675 63 V 4.6465 8.6978 123.1989 61.3015 33.7095 174.5669 64 E 4.9364 9.2926 128.1826 56.5146 30.7383 176.8356 65 G 3.8185 8.7020 107.9366 46.2032 0.0000 171.4426 66 E 5.2375 8.3610 119.1993 54.5873 33.9255 175.1523 67 V 4.7646 8.6602 124.2561 61.8057 33.3314 174.1097 68 Y 5.0037 9.1112 125.3304 56.0194 41.4977 174.5120 69 A 4.9258 9.0156 125.7701 51.2640 20.3590 176.7802 70 V 5.0480 8.9542 116.5081 59.5697 35.8372 175.6138 71 D 4.9730 8.4541 123.2087 52.5252 41.4284 177.1980 72 E 4.0494 8.7848 117.1287 59.2443 29.3137 179.7394 73 R 3.9517 8.0938 117.9933 59.5356 30.2116 178.5568 74 M 4.5825 8.5140 119.4023 58.0222 32.2065 177.9442 75 L 4.0344 8.1593 120.6100 58.2968 42.1363 179.2275 76 R 3.9329 8.1666 118.0342 59.0051 29.9776 178.7656 77 F 4.0116 8.3208 120.4492 61.3437 39.4537 177.1186 78 L 3.8015 8.4122 118.9378 57.8064 41.3733 179.1031 79 D 4.4592 8.2186 118.7739 57.8070 40.8379 178.8665 80 D 4.2634 7.7180 119.1815 57.0203 40.5900 178.4355 81 F 3.7179 7.8724 120.8623 60.7998 39.6768 176.2156 82 Q 4.1741 7.8338 115.4284 54.5477 28.7484 175.8884 83 S 3.8312 7.9571 115.6121 59.6445 61.1220 172.2090 84 C 5.3720 8.3519 116.1184 58.8667 28.5375 172.2542 85 P 4.9458 0.0000 0.0000 62.7765 31.4368 176.5279 86 A 4.0938 8.0122 123.2764 54.7034 18.3832 178.1137 87 L 4.3462 7.8543 115.9153 56.2577 43.5830 175.9370 88 Y 5.1869 7.9792 114.2089 56.8332 40.9570 174.0211 89 Q 5.0279 9.3617 119.6553 54.1769 32.7326 175.0580 90 R 4.5569 8.7545 123.7164 56.0302 30.7592 175.1345 91 T 4.9219 8.9750 117.0446 59.9876 72.5953 172.8526 92 V 5.0935 8.3527 113.6381 59.8244 34.7962 175.1477 93 L 4.6611 8.7310 122.6829 55.0808 44.6275 174.0571 94 R 5.0139 8.4708 117.4365 54.4044 32.9366 175.5365 95 V 4.4928 8.3748 122.3204 60.9247 35.0408 174.0752 96 Q 4.6337 8.9647 128.7961 55.5539 30.2915 174.6301 97 L 4.7204 8.7050 127.4292 54.3842 42.7426 176.2024 98 L 4.6868 8.7651 126.6290 52.7314 43.1055 176.1150 99 E 4.6214 8.9241 127.2571 56.3858 27.8638 174.1536 *106 E 4.3689 8.8573 114.7526 56.4887 31.2525 174.1997 107 E 4.9291 7.9930 118.6021 54.5472 32.2876 174.2960 108 P 4.4446 0.0000 0.0000 61.6269 32.1947 174.2971 109 P 4.6414 0.0000 0.0000 61.3202 32.2569 175.7715 110 A 4.1307 8.2105 121.9532 51.0980 18.8694 175.8488 111 P 4.3192 0.0000 0.0000 63.7504 32.0551 176.1288 112 T 4.7391 8.4771 108.8665 61.2294 70.3202 172.6961 113 A 5.3154 7.8637 122.0770 50.9990 22.6660 176.1783 114 V 4.4504 8.5723 117.9844 60.2134 35.2757 173.5724 115 Q 4.5855 8.5268 124.3829 56.2361 29.8109 174.6072 116 C 4.9315 8.9578 122.8126 57.9323 33.2939 173.5767 117 F 5.1624 8.8740 120.1161 57.7391 40.1209 175.0500 118 V 4.7771 8.8528 119.4820 60.7974 35.3033 173.3688 119 Y 5.0389 8.7179 120.2506 57.0720 38.6690 174.9951 120 S 5.3041 9.2877 119.3550 56.4763 67.1844 172.9118 121 R 5.0972 9.1305 119.0804 54.9526 32.0062 175.5133 122 A 4.3863 9.3959 129.9660 53.4885 19.4953 177.1764 123 T 4.2004 7.6571 112.1866 61.5358 70.9354 173.1944 124 F 4.1972 7.0974 119.3046 54.4527 40.5389 172.0689 125 P 3.9888 0.0000 0.0000 62.2260 31.7314 175.9173 126 P 4.3340 0.0000 0.0000 65.7440 31.7005 178.4328 127 E 4.2319 8.2475 116.8820 58.6000 29.9929 178.9317 128 W 4.3789 8.7361 119.4672 59.5953 29.1991 178.1824 129 A 4.1315 8.1612 120.2857 54.5360 17.8413 177.9610 130 Q 4.4444 7.8732 112.8664 55.7402 29.3332 175.8600 131 L 4.2441 7.4930 118.3250 53.5259 42.2898 175.1003 132 P 4.2338 0.0000 0.0000 63.3857 31.6429 175.9742 133 H 5.0011 8.5603 119.9386 55.1906 29.8799 174.3279 134 H 4.9885 8.8805 121.6733 54.1431 30.8856 174.5540 135 D 4.7666 8.6572 121.8794 54.9749 40.3208 176.4971 136 S 4.8088 7.7760 113.4414 56.4802 64.9131 172.3038 137 Y 4.3547 8.7186 129.1923 57.1738 39.6364 174.0671 138 D 4.1994 7.5083 124.9246 52.3121 44.4862 175.4802 139 S 4.0122 8.9092 122.2902 61.3018 62.4649 175.0715 140 E 4.5640 8.0969 117.1481 56.1205 29.6304 176.3551 141 G 3.8034 7.5957 110.1145 44.1115 0.0000 173.3778 142 P 4.3704 0.0000 0.0000 64.6725 31.4224 177.9337 143 H 4.2032 7.8006 113.4599 56.6098 28.5749 176.7244 144 G 3.9169 7.7984 106.7403 45.6245 0.0000 174.4621 145 L 4.4505 7.7929 120.9620 53.0401 40.2222 176.1307 146 R 4.6499 7.6700 118.5492 55.2714 31.1635 176.5187 147 Y 4.4090 8.6214 123.9942 58.1079 38.9996 175.5392 148 N 4.3966 8.3708 125.2326 51.9310 41.2832 172.5864 149 P 4.3418 0.0000 0.0000 62.7960 31.8319 177.2521 150 R 3.8065 8.2008 119.6751 59.8268 29.5746 177.1967 *151 E 4.1354 8.0392 118.0154 55.8926 30.4191 178.0253 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 M 8.30 4.86 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 2 A 8.80 4.56 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 3 L 8.66 5.19 0.00 1.59 1.60 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.93 4.94 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 1.18 0.00 0.00 1.09 0.00 0.00 5 F 9.44 5.25 0.00 2.99 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 6 V 8.66 4.38 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 0.65 0.00 0.00 0.98 0.00 0.00 7 Y 7.74 4.63 0.00 2.98 2.85 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 8 G 6.57 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 0.00 0.00 0.00 9 T 8.00 4.08 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 0.52 0.00 0.00 10 L 7.37 4.05 0.00 1.47 1.47 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.55 4.41 0.00 1.83 1.75 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.49 7.81 12 R 8.73 3.57 0.00 1.81 1.75 0.00 2.85 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 13 G 8.81 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 14 Q 7.72 4.58 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.69 0.00 15 P 0.00 4.35 0.00 2.05 2.29 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 16 N 8.16 4.87 0.00 2.78 2.69 0.00 0.00 6.47 7.94 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 17 H 8.41 4.21 0.00 3.47 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.09 3.85 0.00 1.97 2.16 0.00 3.18 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 19 V 7.58 3.49 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 0.73 0.00 0.00 0.43 0.00 0.00 20 L 7.52 3.73 0.00 1.32 1.38 0.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.52 4.23 0.00 1.76 1.87 0.00 3.34 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 22 D 7.41 4.51 0.00 2.58 2.16 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 23 G 8.43 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 24 A 8.01 4.07 1.19 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 0.00 0.00 25 H 8.24 4.54 0.00 2.75 2.55 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.66 4.10 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 0.00 27 S 8.77 4.93 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.51 5.24 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 29 A 9.22 4.84 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 30 F 9.21 3.61 0.00 2.91 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 31 R 7.51 4.29 0.00 1.47 1.70 0.00 3.33 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 32 A 5.84 4.12 1.03 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 0.00 0.00 33 R 8.49 4.56 0.00 2.14 2.03 0.00 3.30 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 34 G 9.35 4.77 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 0.00 0.00 0.00 35 R 8.87 5.42 0.00 1.92 1.74 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 T 8.72 3.96 4.35 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 1.05 0.00 0.00 37 L 8.33 4.14 0.00 1.72 1.75 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.87 4.89 0.00 1.78 1.68 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 2.20 2.17 0.00 39 P 0.00 4.79 0.00 2.26 2.17 0.00 3.55 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 1.87 1.96 0.00 40 Y 8.72 5.09 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.00 1.72 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 42 L 8.62 5.03 0.00 1.68 1.76 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.69 5.02 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 0.99 0.00 0.00 44 I 8.33 4.81 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.92 0.00 0.00 45 A 8.79 4.17 -0.54 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 0.00 0.00 46 G 8.65 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 0.00 0.00 0.00 47 E 8.53 4.15 0.00 1.92 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 2.31 2.35 0.00 48 H 8.11 4.72 0.00 3.25 3.26 0.00 6.05 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 N 7.92 4.49 0.00 3.07 3.06 0.00 0.00 6.96 7.21 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 50 I 7.52 3.97 1.48 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 1.40 0.72 -0.59 0.00 0.00 51 P 0.00 4.80 0.00 1.72 0.91 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.00 52 W 9.19 5.02 0.00 3.24 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 53 L 9.02 4.42 0.00 0.67 1.47 0.51 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.68 4.51 0.00 1.47 1.20 0.51 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.96 4.76 0.00 3.37 3.46 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.18 4.90 0.00 1.71 1.56 1.10 1.12 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 57 P 0.00 3.45 0.00 1.81 1.16 0.00 3.69 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 58 G 9.47 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 59 S 7.48 4.66 0.00 3.92 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 60 G 8.78 4.16 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 0.00 61 R 8.77 4.84 0.00 1.81 1.82 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 62 L 8.60 4.55 0.00 1.58 1.65 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.70 4.65 2.20 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 1.21 0.00 0.00 1.05 0.00 0.00 64 E 9.29 4.94 0.00 1.98 1.98 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 2.56 2.49 0.00 65 G 8.70 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 0.00 0.00 0.00 66 E 8.36 5.24 0.00 2.11 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 2.47 2.32 0.00 67 V 8.66 4.76 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 0.92 0.00 0.00 1.05 0.00 0.00 68 Y 9.11 5.00 0.00 2.91 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 69 A 9.02 4.93 1.26 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 0.00 0.00 70 V 8.95 5.05 2.17 0.00 0.00 0.00 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 1.06 0.00 0.00 71 D 8.45 4.97 0.00 2.78 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 72 E 8.78 4.05 0.00 2.02 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 2.43 2.37 0.00 73 R 8.09 3.95 0.00 2.18 2.11 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 74 M 8.51 4.58 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 75 L 8.16 4.03 0.00 1.97 1.79 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.17 3.93 0.00 2.11 1.99 0.00 3.21 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 1.66 1.82 0.00 77 F 8.32 4.01 0.00 3.16 3.19 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 78 L 8.41 3.80 0.00 1.90 1.57 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.22 4.46 0.00 2.93 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 80 D 7.72 4.26 0.00 2.54 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 81 F 7.87 3.72 0.00 2.19 2.85 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 82 Q 7.83 4.17 0.00 1.67 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.08 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 83 S 7.96 3.83 0.00 4.14 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 84 C 8.35 5.37 0.00 3.11 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 85 P 0.00 4.95 0.00 2.21 2.18 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 86 A 8.01 4.09 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 87 L 7.85 4.35 0.00 1.69 2.07 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.98 5.19 0.00 3.26 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 89 Q 9.36 5.03 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 90 R 8.75 4.56 0.00 1.65 1.73 0.00 2.24 0.00 0.00 2.68 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.26 0.00 91 T 8.98 4.92 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 1.28 0.00 0.00 92 V 8.35 5.09 1.98 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 0.72 0.00 0.00 0.95 0.00 0.00 93 L 8.73 4.66 0.00 1.73 1.82 0.70 0.46 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 94 R 8.47 5.01 0.00 1.72 1.78 0.00 3.02 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 95 V 8.37 4.49 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 0.93 0.00 0.00 0.24 0.00 0.00 96 Q 8.96 4.63 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 97 L 8.70 4.72 0.00 1.52 1.56 0.89 0.79 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 98 L 8.77 4.69 0.00 1.55 1.63 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.92 4.62 0.00 1.98 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 2.19 1.86 0.00 *106 E 8.86 4.37 0.00 1.91 1.98 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 2.21 1.91 0.00 107 E 7.99 4.93 0.00 1.87 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 2.19 2.31 0.00 108 P 0.00 4.44 0.00 2.17 2.04 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 109 P 0.00 4.64 0.00 2.19 2.17 0.00 3.37 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 110 A 8.21 4.13 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 0.00 111 P 0.00 4.32 0.00 2.03 2.01 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 112 T 8.48 4.74 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 1.28 0.00 0.00 113 A 7.86 5.32 1.15 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 0.00 0.00 114 V 8.57 4.45 2.03 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 0.55 0.00 0.00 0.88 0.00 0.00 115 Q 8.53 4.59 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 116 C 8.96 4.93 0.00 2.83 2.87 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 0.00 117 F 8.87 5.16 0.00 3.06 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 0.00 118 V 8.85 4.78 2.30 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 0.87 0.00 0.00 1.31 0.00 0.00 119 Y 8.72 5.04 0.00 2.74 2.69 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 0.00 120 S 9.29 5.30 0.00 4.19 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 0.00 121 R 9.13 5.10 0.00 2.01 1.97 0.00 2.70 0.00 0.00 2.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 122 A 9.40 4.39 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 0.00 123 T 7.66 4.20 4.10 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 0.99 0.00 0.00 124 F 7.10 4.20 0.00 2.42 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.99 0.00 1.51 1.78 0.00 2.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.62 0.00 126 P 0.00 4.33 0.00 2.18 2.10 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 127 E 8.25 4.23 0.00 2.26 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 2.40 1.90 0.00 128 W 8.74 4.38 0.00 3.45 3.09 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 0.00 129 A 8.16 4.13 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 0.00 130 Q 7.87 4.44 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 131 L 7.49 4.24 0.00 1.81 1.62 0.66 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.23 0.00 2.03 1.96 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 133 H 8.56 5.00 0.00 3.13 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.88 4.99 0.00 3.22 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.66 4.77 0.00 2.98 2.97 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 0.00 136 S 7.78 4.81 0.00 3.86 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 0.00 137 Y 8.72 4.35 0.00 3.01 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 0.00 138 D 7.51 4.20 0.00 2.56 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 0.00 0.00 0.00 0.00 139 S 8.91 4.01 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 0.00 140 E 8.10 4.56 0.00 2.04 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 2.23 2.21 0.00 141 G 7.60 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 0.00 142 P 0.00 4.37 0.00 2.06 2.09 0.00 3.90 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 2.02 1.93 0.00 143 H 7.80 4.20 0.00 3.28 3.53 0.00 5.78 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 0.00 144 G 7.80 3.92 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 0.00 0.00 0.00 145 L 7.79 4.45 0.00 1.70 1.85 0.93 0.97 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 0.00 146 R 7.67 4.65 0.00 1.83 1.92 0.00 3.27 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 147 Y 8.62 4.41 0.00 2.97 2.97 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 0.00 148 N 8.37 4.40 0.00 2.63 2.50 0.00 0.00 6.77 7.32 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 0.00 149 P 0.00 4.34 0.00 2.12 1.96 0.00 3.61 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 150 R 8.20 3.81 0.00 1.94 2.16 0.00 3.07 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 *151 E 8.04 4.14 0.00 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.