NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7969 8.3393 109.7401 45.6857 0.0000 174.4071 *2 T 4.5191 8.1568 115.3347 61.1122 69.6862 171.8064 *4 F 4.6008 8.2378 122.2036 58.6281 40.7804 174.2847 5 L 4.9891 8.2626 128.8744 54.0634 44.3071 174.8379 6 H 5.0589 9.4938 125.2557 54.6975 33.1385 171.9035 7 V 4.7870 9.1243 126.6713 61.1856 34.3695 174.7398 8 V 4.6065 8.5945 127.6721 60.7835 35.5090 173.2533 *11 E 4.2506 8.4115 121.1410 56.1055 30.5544 174.9219 12 F 5.3004 8.5316 124.6704 55.4887 42.0223 175.1151 13 D 4.5581 9.3062 120.5063 55.0828 41.2886 178.2250 14 D 4.5647 8.8680 120.6528 56.5875 41.1206 177.9124 15 G 3.7147 7.9209 107.0927 46.7254 0.0000 174.0992 16 I 3.5756 7.0754 114.9383 61.3820 38.1832 175.3116 17 D 5.0806 8.1079 119.3893 50.4734 43.8887 176.9407 18 A 4.4842 8.8679 117.7531 57.0755 18.0039 179.9608 19 G 3.6407 8.2293 103.6134 47.9127 0.0000 175.3412 20 F 4.1844 8.1974 122.8867 61.3133 39.3831 177.3703 21 F 4.0660 7.7955 116.7120 60.3447 38.6238 177.6465 22 R 3.9362 8.3276 118.0706 59.7000 30.0126 179.2655 23 T 3.4846 7.8098 115.3434 66.2499 68.2433 176.8542 24 V 3.5578 7.4545 120.2881 66.3318 31.3694 177.9158 25 D 4.4134 8.1284 118.2496 57.2686 40.4263 178.6812 26 E 3.8534 7.6706 119.4767 59.4158 29.1465 178.9290 27 Y 4.1310 7.2255 115.5481 60.8822 37.9979 178.1357 28 V 4.0387 8.0839 118.3416 66.2633 31.7180 177.3729 29 A 4.2290 7.9882 118.9609 55.1726 18.6240 181.1465 30 R 4.0966 7.6862 118.2684 55.8881 29.5882 179.1744 *32 K 4.1367 8.1745 121.7338 57.2040 34.4020 178.4333 33 R 4.1248 8.2733 115.9284 59.2877 29.1581 179.7753 34 E 4.3826 8.3272 116.4492 57.0771 30.2337 176.0616 35 C 4.9419 7.8834 115.0719 55.1986 40.6940 173.0926 36 D 4.7330 8.5482 122.6697 54.6127 41.7653 176.6555 37 G 3.8983 8.5884 107.7483 46.5067 0.0000 172.5210 38 L 4.4299 7.2977 119.3404 53.3175 42.8132 175.9407 39 L 4.4976 8.7875 126.7052 56.0021 43.2525 176.9116 40 L 4.6786 7.4290 119.2071 53.9053 45.8392 174.2923 41 Y 4.9931 8.4024 125.9750 57.0161 41.6073 173.0050 42 H 5.0022 8.6897 125.7018 54.8318 34.1198 171.6002 43 F 5.1271 8.2157 125.5724 56.6151 42.1781 173.9198 44 G 3.9721 7.7797 111.4400 45.3844 0.0000 171.8089 45 E 4.4101 8.5058 119.5935 55.9253 30.2378 176.7951 46 N 4.4385 8.6981 123.8964 53.5611 39.2267 175.0872 47 V 4.1614 8.3577 118.1513 60.8858 32.4811 176.0445 48 A 4.1453 8.2099 123.5455 51.7240 18.8985 178.1451 49 A 4.1153 8.6121 124.0130 55.1366 18.9095 179.3663 50 R 4.5554 7.5700 114.1583 56.0153 30.4500 177.8586 51 S 4.1823 7.9294 114.0951 59.4664 63.7166 174.9499 52 Q 3.3144 8.9815 119.9363 56.8878 26.8837 174.0642 53 G 3.7150 8.4926 104.7149 44.7412 0.0000 173.9465 54 Y 4.3587 7.5010 117.7264 57.4117 37.0912 175.2310 55 T 4.3319 8.3741 116.1499 63.4439 70.4298 174.0595 56 H 5.3137 8.0639 117.0007 54.4383 33.4179 172.4125 57 A 4.9120 8.7017 120.9691 50.9029 23.1332 175.4174 58 T 4.9239 8.8042 118.0910 62.8229 70.2709 174.0770 59 S 5.1282 8.8868 121.5146 56.5013 65.9348 173.2480 60 S 5.1305 8.8632 116.5916 56.9674 66.7969 172.7119 61 A 5.2673 8.6290 122.6462 50.4113 22.1552 175.1441 62 F 5.2550 9.3051 120.3213 55.3996 42.0056 176.1442 63 V 3.9895 9.0195 114.9977 64.7555 31.9622 175.9258 64 D 4.5161 7.8707 117.1863 51.1773 41.6053 176.0986 65 A 2.6575 8.1019 120.2645 54.5200 17.9419 179.6169 66 A 3.7727 7.8548 119.0383 55.0530 18.6248 179.4818 67 A 3.9283 8.2480 119.4323 55.4986 18.2065 179.4018 68 H 2.6957 7.1116 116.0075 58.5854 29.9438 176.4773 69 D 4.3100 7.9881 120.0513 57.5693 41.1438 178.5119 70 A 3.9865 8.0575 120.7881 55.0858 18.2981 178.8899 71 Y 4.1500 7.8198 118.0788 60.7515 38.5282 177.9118 72 Q 3.9111 7.4697 118.6211 58.1923 28.8174 178.1227 73 V 4.1937 7.1139 109.4571 60.8101 32.3887 175.4211 74 C 4.2828 7.9901 121.8479 56.3285 43.9063 172.5312 75 P 4.1200 0.0000 0.0000 65.5452 30.8254 178.2775 76 A 4.0954 7.7403 118.9436 55.5541 18.2588 178.9469 77 H 4.2135 7.8107 115.1128 59.2334 30.4014 176.9099 78 V 3.5410 7.9300 120.2530 65.9191 31.1479 177.8130 79 A 3.8027 7.6113 117.5171 52.5469 17.7634 178.9114 *81 K 4.0785 7.9777 122.6718 57.8390 33.8875 177.0611 82 A 4.0784 7.7500 120.4081 55.2018 18.3214 178.2851 83 F 4.3830 8.1613 114.2627 59.4871 39.1945 176.0552 *85 G 4.0627 8.0664 108.6881 45.3192 0.0000 173.8690 86 P 4.3346 0.0000 0.0000 63.9744 31.5519 177.3460 87 R 4.5717 7.6341 115.1850 55.4173 31.1500 175.4773 88 I 4.4342 7.4340 119.7390 61.1667 37.2602 176.0529 89 K 4.2473 9.2521 128.1117 58.7744 32.2343 177.5025 90 R 4.8679 7.7564 116.1067 54.5588 34.0739 174.6998 91 V 4.7215 8.4943 113.8570 59.6348 35.6442 175.5200 92 V 4.4394 7.8234 119.8046 59.9008 34.1474 174.6909 93 V 4.6431 8.2970 122.1101 61.2025 34.3887 173.6209 94 Y 4.7323 8.9142 128.4782 55.8509 41.1844 173.8615 95 D 4.7096 7.5054 125.5456 52.1197 44.2295 175.2999 96 G 3.7010 6.8267 107.8478 45.3547 0.0000 171.9349 97 E 4.6597 8.8953 122.7930 55.9890 30.3057 176.2266 98 V 4.6975 8.2529 118.5261 58.5755 36.4672 173.3940 99 P 4.3102 0.0000 0.0000 62.5243 31.7989 176.6884 100 A 4.1022 8.2975 126.4044 53.6499 19.1847 178.4932 101 I 3.5571 8.3201 116.4986 60.0780 35.3391 174.5438 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 0 G 8.34 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 *2 T 8.16 4.52 4.41 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 0.00 0.00 0.00 1.24 0.00 0.00 *4 F 8.24 4.60 0.00 3.21 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 5 L 8.26 4.99 0.00 1.76 1.53 0.99 0.85 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 6 H 9.49 5.06 0.00 3.18 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.12 4.79 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 0.97 0.00 0.00 0.94 0.00 0.00 8 V 8.59 4.61 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 0.97 0.00 0.00 0.90 0.00 0.00 *11 E 8.41 4.25 0.00 1.82 1.70 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 2.20 2.26 0.00 12 F 8.53 5.30 0.00 2.99 2.80 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 13 D 9.31 4.56 0.00 2.46 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 14 D 8.87 4.56 0.00 2.93 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 15 G 7.92 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 16 I 7.08 3.58 1.12 0.00 0.00 0.47 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 0.58 -0.07 0.00 0.00 17 D 8.11 5.08 0.00 2.57 2.55 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 18 A 8.87 4.48 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 19 G 8.23 3.64 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 20 F 8.20 4.18 0.00 2.90 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 21 F 7.80 4.07 0.00 3.35 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 22 R 8.33 3.94 0.00 1.98 1.93 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 23 T 7.81 3.48 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 -0.04 0.00 0.00 24 V 7.45 3.56 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.18 0.00 0.00 25 D 8.13 4.41 0.00 2.87 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 26 E 7.67 3.85 0.00 1.73 1.59 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 2.16 2.22 0.00 27 Y 7.23 4.13 0.00 3.15 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 28 V 8.08 4.04 2.37 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 1.05 0.00 0.00 1.25 0.00 0.00 29 A 7.99 4.23 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 30 R 7.69 4.10 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 *32 K 8.17 4.14 0.00 1.78 1.91 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 33 R 8.27 4.12 0.00 1.82 1.87 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 34 E 8.33 4.38 0.00 2.00 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 0.00 2.30 2.42 0.00 35 C 7.88 4.94 0.00 3.05 3.17 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 0.00 0.00 0.00 0.00 36 D 8.55 4.73 0.00 2.76 2.61 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 0.00 0.00 0.00 0.00 37 G 8.59 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 38 L 7.30 4.43 0.00 1.51 1.51 0.22 0.71 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 39 L 8.79 4.50 0.00 1.59 1.68 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.43 4.68 0.00 1.69 1.38 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.40 4.99 0.00 2.86 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 42 H 8.69 5.00 0.00 3.27 3.03 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.22 5.13 0.00 3.10 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 44 G 7.78 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 0.00 0.00 0.00 45 E 8.51 4.41 0.00 1.77 1.76 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 2.02 2.17 0.00 46 N 8.70 4.44 0.00 2.67 2.76 0.00 0.00 7.09 7.42 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 47 V 8.36 4.16 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 0.73 0.00 0.00 0.90 0.00 0.00 48 A 8.21 4.15 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 49 A 8.61 4.12 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 50 R 7.57 4.56 0.00 1.80 1.94 0.00 3.21 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 51 S 7.93 4.18 0.00 4.25 4.29 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 52 Q 8.98 3.31 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 53 G 8.49 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 54 Y 7.50 4.36 0.00 3.08 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 55 T 8.37 4.33 4.29 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 1.33 0.00 0.00 56 H 8.06 5.31 0.00 3.26 3.03 0.00 5.88 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.70 4.91 1.11 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 58 T 8.80 4.92 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 0.96 0.00 0.00 59 S 8.89 5.13 0.00 3.79 3.88 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 60 S 8.86 5.13 0.00 3.77 3.77 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 61 A 8.63 5.27 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 62 F 9.31 5.26 0.00 3.01 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 63 V 9.02 3.99 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 0.71 0.00 0.00 1.00 0.00 0.00 64 D 7.87 4.52 0.00 2.83 2.76 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 65 A 8.10 2.66 0.69 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 0.00 0.00 66 A 7.85 3.77 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 67 A 8.25 3.93 1.56 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 0.00 0.00 68 H 7.11 2.70 0.00 2.14 2.84 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.99 4.31 0.00 2.72 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 70 A 8.06 3.99 1.36 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 0.00 0.00 0.00 71 Y 7.82 4.15 0.00 3.19 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 72 Q 7.47 3.91 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 73 V 7.11 4.19 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 0.62 0.00 0.00 0.97 0.00 0.00 74 C 7.99 4.28 0.00 3.05 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 75 P 0.00 4.12 0.00 2.20 2.07 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 76 A 7.74 4.10 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 77 H 7.81 4.21 0.00 2.75 3.23 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.93 3.54 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 0.88 0.00 0.00 0.91 0.00 0.00 79 A 7.61 3.80 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 *81 K 7.98 4.08 0.00 1.64 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.46 7.81 82 A 7.75 4.08 1.36 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 0.00 0.00 0.00 83 F 8.16 4.38 0.00 2.95 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 *85 G 8.07 4.06 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 0.00 0.00 0.00 86 P 0.00 4.33 0.00 1.97 2.09 0.00 3.77 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 1.98 2.08 0.00 87 R 7.63 4.57 0.00 1.45 1.47 0.00 3.38 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.00 88 I 7.43 4.43 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.98 0.00 0.00 89 K 9.25 4.25 0.00 1.69 1.82 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.49 7.81 90 R 7.76 4.87 0.00 1.60 1.90 0.00 3.09 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 V 8.49 4.72 2.11 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 0.82 0.00 0.00 0.98 0.00 0.00 92 V 7.82 4.44 1.93 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 -0.07 0.00 0.00 0.85 0.00 0.00 93 V 8.30 4.64 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 0.91 0.00 0.00 0.96 0.00 0.00 94 Y 8.91 4.73 0.00 3.03 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.51 4.71 0.00 2.33 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 0.00 0.00 0.00 0.00 96 G 6.83 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 97 E 8.90 4.66 0.00 2.16 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 2.36 2.46 0.00 98 V 8.25 4.70 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 0.80 0.00 0.00 0.95 0.00 0.00 99 P 0.00 4.31 0.00 2.05 2.00 0.00 3.69 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 2.03 2.10 0.00 100 A 8.30 4.10 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 0.00 101 I 8.32 3.56 1.87 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 1.27 0.58 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.