NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 T 4.2700 8.1749 117.3751 63.2957 70.4495 175.1532 1 C 4.4402 7.8428 120.6532 54.2956 42.2732 171.2827 2 P 4.3257 0.0000 0.0000 62.7955 32.3147 176.1891 3 E 4.0733 9.0436 122.9758 59.0369 29.6194 177.5467 4 Q 4.5614 7.7782 117.2429 54.0795 32.1427 173.4240 5 D 4.9047 8.3801 122.6579 51.7183 42.6569 175.0915 6 K 4.0113 8.5003 118.9888 57.2223 33.2410 176.0428 7 Y 4.9516 7.2949 113.4870 55.4903 41.5824 175.1964 8 R 4.1971 8.4781 120.1065 56.3557 31.1707 177.1296 9 T 4.3385 8.1927 110.8137 61.0747 70.0856 175.9257 10 I 3.8415 8.3123 124.2511 64.7450 37.5346 178.0140 11 T 3.9068 7.8452 110.2082 63.0089 68.9598 175.9307 12 G 3.9410 7.6865 108.1431 45.0731 0.0000 173.2469 13 M 4.2710 7.7379 119.7300 56.5362 32.7050 175.7568 14 C 4.1965 8.4818 119.4346 57.7625 38.9548 174.1408 15 N 4.2991 8.0028 119.2625 56.1489 38.8150 174.6183 16 N 4.8064 7.9207 117.9405 51.9195 39.7466 175.4771 17 R 4.0771 8.5708 125.5511 59.0872 30.7244 178.4180 18 R 4.0206 8.1623 116.1797 58.4289 30.4738 176.3468 19 S 4.5243 8.1906 113.1752 55.2955 62.7886 172.2257 20 P 4.7851 0.0000 0.0000 64.2653 31.6900 178.4129 21 T 4.1862 7.7766 107.1047 62.2330 69.4876 174.3619 22 L 4.1224 7.4901 123.3835 56.4119 41.5702 177.3839 23 G 3.9442 8.9894 112.9052 45.1721 0.0000 173.2933 24 A 4.3868 7.3705 122.1276 51.5877 18.9835 177.5298 25 S 4.2620 8.6227 115.3481 58.9955 63.7773 173.4382 26 N 4.1477 8.5760 115.5339 54.8953 35.7588 174.3748 27 R 4.6111 7.5545 113.6282 53.6455 33.9761 175.7898 28 A 3.9997 8.2217 122.5326 51.9274 19.0131 177.9462 29 F 4.3829 8.2678 120.0259 57.3605 39.6805 175.7888 30 V 3.9797 8.2191 123.1823 61.2884 32.3568 175.5516 31 R 4.5037 8.3561 121.0853 54.5413 31.6467 176.4490 32 W 4.8874 8.5874 122.0599 57.8169 29.9277 176.4750 33 L 4.9347 7.6134 116.4231 51.7700 44.9756 174.4371 34 P 4.3315 0.0000 0.0000 62.4128 31.8968 176.4613 35 A 3.9431 8.4973 125.1590 52.1793 18.9023 177.1250 36 E 4.5467 8.2813 121.0754 55.0307 29.9063 175.1443 37 Y 4.7043 7.9495 121.0358 55.4439 41.3409 176.8896 38 E 3.1975 8.8405 124.3279 58.9723 29.6281 177.9372 39 D 4.4865 7.4524 114.9065 52.9853 40.2288 176.5783 40 G 4.3073 7.7829 107.4529 45.5996 0.0000 174.5863 41 F 4.9563 7.6985 110.2823 56.3693 39.8114 174.8971 42 S 3.5186 7.7318 113.3621 59.1346 65.4434 174.0648 43 L 3.4813 7.2203 120.5187 53.3659 41.6485 175.1737 44 P 4.8722 0.0000 0.0000 62.0848 32.4737 174.9580 45 Y 4.3187 8.2876 117.5305 59.2991 38.1646 176.3456 46 G 4.1405 9.2632 112.4816 45.1266 0.0000 174.3791 47 W 4.1189 7.8194 129.0403 59.9349 30.8965 175.8566 48 T 4.3993 8.8194 114.8034 61.4255 68.9562 173.0041 49 P 4.3267 0.0000 0.0000 63.9462 31.8217 176.8762 50 G 3.9196 8.9904 111.3585 45.1488 0.0000 173.4022 51 V 3.9045 7.1313 119.5444 62.0395 31.6198 175.6821 52 K 4.3709 8.5506 127.1737 55.8754 33.0888 176.2864 53 R 4.1467 8.8083 123.2729 55.7402 30.6516 175.8621 54 N 4.2221 9.9105 124.3830 54.5815 37.3811 174.7398 55 G 3.8493 8.7451 103.4399 44.7677 0.0000 173.9340 56 F 4.8674 7.9934 118.1434 54.5072 42.2784 172.9917 57 P 4.5489 0.0000 0.0000 62.4006 31.7748 176.4739 58 V 3.7492 8.3027 122.1915 62.3181 31.9054 175.6556 59 A 4.2704 8.3990 130.5065 51.4902 19.3530 177.3388 60 L 4.1461 8.3855 121.5933 54.4552 43.3771 178.5485 61 A 4.0123 8.6983 125.4832 55.3659 18.4085 179.8431 62 R 3.8646 7.9677 116.5387 59.4388 30.1306 178.4586 63 A 4.0240 7.8483 120.2819 55.0603 18.5643 179.6339 64 V 3.5452 8.0065 116.9542 66.1146 31.6069 178.2649 65 S 4.1435 8.0488 112.6945 61.4329 61.9928 175.9308 66 N 4.3909 8.1081 118.4615 55.8474 38.3394 176.4767 67 E 4.3894 7.8796 118.5167 56.9309 30.2532 176.7737 68 I 4.2999 7.3647 117.1557 62.8527 39.1277 177.2874 69 V 3.7636 7.8041 118.0525 65.3846 31.6982 176.6164 70 R 4.1152 7.6892 119.8372 56.5371 30.3556 175.3608 71 F 4.9546 8.1502 117.7833 54.8058 40.8146 172.0880 72 P 4.1655 0.0000 0.0000 62.8154 31.9213 177.7260 73 T 3.4506 8.3621 120.5583 66.5437 68.4969 175.6786 74 D 4.5969 7.9701 117.8517 54.8222 39.6158 176.4309 75 Q 4.4856 7.7613 117.9694 55.3004 29.2679 175.4551 76 L 4.0905 7.5982 120.0801 56.1208 42.4123 176.5085 77 T 4.4461 8.2672 122.0194 61.2229 69.0666 172.9480 78 P 4.3473 0.0000 0.0000 62.1692 32.0244 175.8336 79 D 4.5294 8.5139 122.3111 53.8359 41.3785 176.3411 80 Q 4.1348 8.7220 126.2154 58.0655 29.0403 176.7648 81 E 4.6225 8.3375 114.9810 55.7212 30.2343 175.7829 82 R 4.4903 7.6160 117.1892 54.2764 34.2018 175.0724 83 S 4.6508 8.3041 115.9824 56.9754 64.9655 174.8262 84 L 4.1694 8.3074 121.3503 57.8439 41.7013 178.3523 85 M 4.1618 7.7322 118.1563 58.5752 31.8729 177.7814 86 F 4.2900 7.9524 120.0962 61.2280 39.6622 176.6469 87 M 4.0117 7.9841 117.4447 58.7780 32.3725 177.9130 88 Q 3.9695 8.2462 119.7401 58.8400 29.1932 177.9175 89 W 4.2126 8.6199 129.8559 60.0799 30.6346 178.0925 90 G 3.5275 7.8409 105.9394 47.9019 0.0000 175.4083 91 Q 3.8310 7.8430 121.9202 58.5394 28.9183 177.7616 92 L 3.6718 7.2843 120.0561 57.9838 42.3695 178.4313 93 L 3.7119 7.8727 120.5122 57.9895 41.9935 178.3277 94 D 4.3579 8.3102 118.4236 57.5452 40.9372 177.2215 95 H 4.5755 7.8417 113.8705 56.8178 28.9439 176.0292 96 D 4.5110 7.8379 120.0663 55.6756 41.3779 177.4981 97 L 4.4200 7.6263 118.1903 55.2902 42.9484 176.4800 98 D 4.8487 7.7016 115.8468 51.7533 42.4354 174.4329 99 F 4.6749 8.6737 123.4659 56.8791 41.8480 173.8316 100 T 4.2447 7.9164 125.6246 61.1026 68.4007 173.0010 101 P 4.1972 0.0000 0.0000 62.3907 32.1851 175.4382 102 E 4.7729 8.1809 118.2665 53.4818 32.9200 174.1971 103 P 4.3248 0.0000 0.0000 62.5780 32.0653 176.4369 104 A 4.3143 8.2594 123.7516 50.7219 19.8727 176.6961 105 A 4.0681 8.4235 121.3144 54.1855 19.6762 177.9170 106 R 3.4034 8.0539 120.3316 57.4580 29.1662 176.3426 *107 A 4.1104 8.7159 130.0116 53.4175 18.8699 176.5999 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 T 8.17 4.27 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 1 C 7.84 4.44 0.00 2.98 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 2 P 0.00 4.33 0.00 2.04 2.03 0.00 3.72 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 2.13 0.00 3 E 9.04 4.07 0.00 1.93 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 2.32 2.39 0.00 4 Q 7.78 4.56 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 5 D 8.38 4.90 0.00 2.76 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 6 K 8.50 4.01 0.00 1.27 0.74 0.00 1.33 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.13 1.26 7.81 7 Y 7.29 4.95 0.00 2.94 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 8 R 8.48 4.20 0.00 1.86 1.90 0.00 3.24 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 9 T 8.19 4.34 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 1.23 0.00 0.00 10 I 8.31 3.84 1.87 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 1.46 0.79 0.90 0.00 0.00 11 T 7.85 3.91 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 1.20 0.00 0.00 12 G 7.69 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 0.00 0.00 0.00 13 M 7.74 4.27 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 14 C 8.48 4.20 0.00 3.12 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 15 N 8.00 4.30 0.00 2.81 2.86 0.00 0.00 6.93 7.45 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 16 N 7.92 4.81 0.00 2.77 2.90 0.00 0.00 7.17 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 17 R 8.57 4.08 0.00 1.85 1.98 0.00 3.26 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 18 R 8.16 4.02 0.00 1.94 2.00 0.00 3.15 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 19 S 8.19 4.52 0.00 3.84 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 20 P 0.00 4.79 0.00 2.22 2.09 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 21 T 7.78 4.19 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 1.21 0.00 0.00 22 L 7.49 4.12 0.00 1.69 1.70 0.95 1.08 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 23 G 8.99 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 0.00 0.00 0.00 24 A 7.37 4.39 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 25 S 8.62 4.26 0.00 3.94 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 26 N 8.58 4.15 0.00 2.86 2.90 0.00 0.00 6.74 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 27 R 7.55 4.61 0.00 1.66 1.73 0.00 3.35 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 28 A 8.22 4.00 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 29 F 8.27 4.38 0.00 3.00 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 30 V 8.22 3.98 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 0.66 0.00 0.00 1.03 0.00 0.00 31 R 8.36 4.50 0.00 1.85 2.11 0.00 3.54 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 32 W 8.59 4.89 0.00 3.38 3.08 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 33 L 7.61 4.93 0.00 1.62 1.54 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.33 0.00 2.07 2.03 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 35 A 8.50 3.94 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 36 E 8.28 4.55 0.00 1.94 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 2.25 2.29 0.00 37 Y 7.95 4.70 0.00 2.81 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 38 E 8.84 3.20 0.00 1.64 1.74 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 2.24 2.10 0.00 39 D 7.45 4.49 0.00 2.67 2.54 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 40 G 7.78 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 0.00 0.00 0.00 0.00 41 F 7.70 4.96 0.00 3.03 3.05 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 0.00 0.00 0.00 42 S 7.73 3.52 0.00 3.07 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 43 L 7.22 3.48 0.00 1.33 1.06 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.87 0.00 2.35 2.28 0.00 3.19 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.09 0.00 45 Y 8.29 4.32 0.00 3.04 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 46 G 9.26 4.14 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 0.00 47 W 7.82 4.12 0.00 3.51 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 4.40 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 1.27 0.00 0.00 49 P 0.00 4.33 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 50 G 8.99 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 51 V 7.13 3.90 2.29 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 0.91 0.00 0.00 0.99 0.00 0.00 52 K 8.55 4.37 0.00 1.81 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.44 7.81 53 R 8.81 4.15 0.00 1.23 1.56 0.00 2.22 0.00 0.00 2.73 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 54 N 9.91 4.22 0.00 2.78 2.89 0.00 0.00 7.38 7.98 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 55 G 8.75 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 0.00 0.00 0.00 56 F 7.99 4.87 0.00 3.01 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 57 P 0.00 4.55 0.00 2.10 2.02 0.00 3.87 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 2.09 2.10 0.00 58 V 8.30 3.75 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 0.84 0.00 0.00 1.03 0.00 0.00 59 A 8.40 4.27 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 60 L 8.39 4.15 0.00 1.75 1.62 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.70 4.01 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 62 R 7.97 3.86 0.00 1.94 1.94 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 63 A 7.85 4.02 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 64 V 8.01 3.55 2.22 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 0.98 0.00 0.00 1.00 0.00 0.00 65 S 8.05 4.14 0.00 4.08 4.03 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 66 N 8.11 4.39 0.00 2.92 2.87 0.00 0.00 7.01 6.99 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 67 E 7.88 4.39 0.00 1.89 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 2.48 2.48 0.00 68 I 7.36 4.30 2.00 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 1.18 0.59 0.91 0.00 0.00 69 V 7.80 3.76 2.29 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 0.82 0.00 0.00 0.95 0.00 0.00 70 R 7.69 4.12 0.00 2.00 1.98 0.00 3.35 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 1.66 1.57 0.00 71 F 8.15 4.95 0.00 3.17 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 72 P 0.00 4.17 0.00 2.21 2.00 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 73 T 8.36 3.45 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 1.13 0.00 0.00 74 D 7.97 4.60 0.00 2.78 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 75 Q 7.76 4.49 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 76 L 7.60 4.09 0.00 2.01 1.72 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.27 4.45 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 1.20 0.00 0.00 78 P 0.00 4.35 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 79 D 8.51 4.53 0.00 2.65 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 80 Q 8.72 4.13 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 81 E 8.34 4.62 0.00 1.85 1.83 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 2.18 2.19 0.00 82 R 7.62 4.49 0.00 1.75 1.66 0.00 2.21 0.00 0.00 2.73 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.00 83 S 8.30 4.65 0.00 4.04 4.01 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 84 L 8.31 4.17 0.00 1.83 1.75 0.98 0.79 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 85 M 7.73 4.16 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 86 F 7.95 4.29 0.00 3.06 3.36 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 87 M 7.98 4.01 0.00 2.29 2.10 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 2.69 2.53 0.00 88 Q 8.25 3.97 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 89 W 8.62 4.21 0.00 3.53 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 90 G 7.84 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 91 Q 7.84 3.83 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.08 2.34 0.00 92 L 7.28 3.67 0.00 1.57 1.37 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.87 3.71 0.00 1.15 1.60 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.31 4.36 0.00 2.83 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 95 H 7.84 4.58 0.00 3.23 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.84 4.51 0.00 2.57 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 97 L 7.63 4.42 0.00 1.67 1.73 0.93 0.97 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 98 D 7.70 4.85 0.00 2.96 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 99 F 8.67 4.67 0.00 2.86 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 0.00 100 T 7.92 4.24 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 1.29 0.00 0.00 101 P 0.00 4.20 0.00 2.18 2.13 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 102 E 8.18 4.77 0.00 1.93 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 2.15 2.16 0.00 103 P 0.00 4.32 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 104 A 8.26 4.31 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 0.00 105 A 8.42 4.07 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 0.00 106 R 8.05 3.40 0.00 1.97 1.25 0.00 3.41 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 *107 A 8.72 4.11 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 * Residues marked with a * may have inaccurate shift predictions.