NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3570 8.2493 123.5825 52.4668 19.9527 176.2647 2 T 4.4876 8.4124 110.8941 60.8138 71.3115 172.0167 3 K 5.2885 8.3662 123.3023 54.8445 37.0911 176.1078 4 A 5.3728 9.1140 123.8748 50.8781 23.4057 175.2352 5 V 5.1329 8.8011 117.5532 60.6604 35.3577 173.3308 6 C 5.0664 9.5215 122.9825 57.7001 35.4902 172.6051 7 V 4.6620 8.4281 125.3113 61.2380 33.6232 173.9791 8 L 4.9052 9.3456 129.9533 53.9957 43.1873 176.2520 9 K 4.8184 8.9972 121.5870 55.7619 37.1695 176.1152 10 G 4.4958 7.9467 108.8004 45.0218 0.0000 172.0622 11 D 4.4940 8.8742 118.1572 56.2041 41.6877 176.9806 12 G 4.2743 7.6569 109.2534 44.2673 0.0000 171.7054 13 P 4.4809 0.0000 0.0000 63.4706 32.1989 176.5233 14 V 4.2664 7.7673 120.2030 62.7146 32.1150 174.9316 15 Q 4.8297 8.0199 123.7375 55.2530 31.9209 173.2149 16 G 4.2963 8.0158 106.6454 46.5031 0.0000 172.1445 17 T 5.2001 7.8917 115.8678 61.6749 71.9278 173.2615 18 I 4.6572 8.7660 127.5581 59.7835 40.0439 174.3539 19 H 5.3923 8.9162 123.6866 54.1001 31.5760 173.5856 20 F 5.3077 9.2765 120.2557 55.8117 43.0017 173.9089 21 E 5.1987 9.0150 122.3204 54.6866 33.2469 173.7836 22 A 4.7720 9.1655 130.1561 51.3875 19.4984 177.0484 23 K 4.3787 8.7930 123.3253 55.4757 34.2513 177.1009 24 G 3.8112 8.2446 116.2278 47.2101 0.0000 172.6609 25 D 4.9074 8.8962 122.1679 53.6545 41.3925 175.0187 26 T 4.8831 7.8687 106.7744 59.1083 72.0974 172.2487 27 V 4.8066 8.9403 121.5262 61.1337 34.7500 174.1550 28 V 4.6510 9.0385 128.5337 61.5759 33.1564 174.3835 29 V 4.6068 8.8467 129.5236 61.6579 33.2565 174.7702 30 T 5.7411 8.5039 117.3647 58.7664 73.2193 171.4439 31 G 4.2154 8.1290 105.3711 44.6111 0.0000 172.3777 32 S 5.1027 8.3234 112.2224 56.7555 66.9059 173.0329 33 I 4.9254 8.9876 121.6805 59.8444 40.9747 174.6395 34 T 4.7639 8.7383 115.6084 60.3904 72.6060 174.6606 35 G 4.0078 8.7820 107.0027 45.9110 0.0000 173.4860 36 L 4.3999 7.7452 120.1501 53.1719 42.7809 176.5576 37 T 4.2347 8.2675 112.5606 61.1736 69.4123 173.8906 38 E 4.0213 8.6625 125.3285 57.6734 30.1120 174.9724 39 G 3.6593 8.8349 108.9591 44.0261 0.0000 171.9699 40 D 5.2685 8.3105 118.5885 53.9108 41.9787 176.2922 41 H 5.0822 9.8039 120.9122 53.4416 32.4524 173.3014 42 G 3.9524 9.0663 110.5216 46.9479 0.0000 172.1316 43 F 5.3927 9.2662 126.5159 56.8019 41.9420 173.0915 44 H 5.1847 8.8523 122.4239 53.8292 33.9058 173.2068 45 V 4.4156 8.4486 121.2482 62.5246 31.8777 175.3346 46 H 4.8844 9.3204 126.3319 55.1295 30.1016 176.6783 47 Q 3.7137 9.0742 122.3564 58.9783 29.1084 176.4841 48 F 4.9034 8.3449 117.7761 55.1311 41.7179 176.5874 49 G 4.6138 8.3774 109.2324 44.2691 0.0000 174.3358 50 D 4.6533 8.0287 119.3760 52.7640 41.5670 174.3781 51 N 5.1582 8.7464 123.8568 52.6757 39.1310 175.7267 52 T 4.0185 8.5262 109.7842 63.7073 69.5534 174.5717 53 Q 4.6526 8.0471 121.3274 55.0957 29.9369 175.3742 54 G 3.8385 7.7247 109.8602 47.2409 0.0000 176.6195 55 C 4.4600 8.6034 117.6044 58.9562 38.3900 175.8384 56 T 3.8905 7.6809 116.8522 66.5847 67.8330 175.8959 57 S 4.5086 7.8422 111.2196 59.1013 63.4806 175.1016 58 A 4.5954 7.5107 126.3292 54.3227 18.3337 179.0557 59 G 3.7359 8.0263 105.8401 44.6755 0.0000 170.7918 60 P 4.7239 0.0000 0.0000 61.7860 34.0178 175.2115 61 H 4.5377 8.2870 116.3740 55.6827 29.5409 175.6246 62 F 4.3126 9.3936 125.0618 58.3446 40.3245 174.4930 63 N 4.9735 8.2637 125.3450 50.9260 38.7622 172.5255 64 P 4.1944 0.0000 0.0000 65.1865 31.9542 178.1369 65 L 4.3594 7.7682 115.9904 53.7885 41.7650 176.2247 66 S 3.6585 7.5524 113.2693 59.5182 60.8790 172.2917 67 K 4.5514 8.0524 118.8042 55.5934 34.5800 176.7514 68 K 4.5254 8.3662 119.7063 55.2074 34.5627 176.0782 69 H 4.1365 8.9777 122.8135 56.7920 30.6384 174.7767 70 G 4.2590 7.7924 113.6038 43.2003 0.0000 171.0224 71 G 4.1228 8.3167 108.2896 42.5330 0.0000 172.7498 72 P 4.3248 0.0000 0.0000 65.7332 31.0023 177.7535 73 K 4.1678 7.8556 115.2299 57.1752 32.4226 176.7181 74 D 4.6305 7.7265 121.2149 54.3844 41.6547 176.7402 75 E 4.1381 8.5430 116.2957 57.4655 30.3825 176.9405 76 E 4.3974 7.7826 120.7994 54.6484 28.4966 174.4908 77 R 5.0786 7.4712 119.0601 55.0670 32.6784 174.9471 78 H 4.6895 9.7715 117.1653 55.1625 29.4866 177.1917 79 V 3.4004 8.1678 121.8074 66.0672 31.6018 177.0210 80 G 3.9647 8.3764 105.2862 46.7042 0.0000 173.5602 81 D 5.0526 7.9991 121.2891 53.4765 40.2799 175.6844 82 L 4.6293 8.2159 121.6888 52.8125 42.9085 178.2511 83 G 3.9611 8.4876 112.3571 46.9651 0.0000 175.8777 84 N 5.6313 8.7769 119.4520 51.2745 42.1850 172.7018 85 V 4.3851 9.0404 114.5336 59.9298 35.2586 174.9754 86 T 5.2186 8.0991 117.9992 61.7399 71.4874 173.2484 87 A 4.3964 9.7578 130.8371 51.5812 20.1329 177.6281 88 D 4.6029 8.4470 121.9061 52.2463 41.5400 176.9777 89 K 4.0358 8.5041 117.0445 60.2147 32.6548 177.3906 90 N 4.4677 8.2626 114.5131 53.4888 38.9412 175.6210 91 G 4.3226 8.3389 107.4634 44.7281 0.0000 172.5180 92 V 4.7664 8.1581 120.1202 60.9403 33.4785 174.3275 93 A 5.2020 9.2075 130.2337 49.5173 21.3237 175.0908 94 I 4.4458 8.2389 123.7112 59.7704 38.8525 175.3736 95 V 3.8767 8.6457 128.3624 61.9719 33.0281 174.8537 96 D 5.2025 8.3709 126.8026 53.5898 42.3702 173.5814 97 I 4.7287 9.0246 125.1357 58.8817 41.5800 174.4684 98 V 4.8093 8.3954 124.0173 61.2748 33.9252 174.0539 99 D 5.1232 9.4705 128.0661 52.0442 44.0162 174.3509 100 P 4.8969 0.0000 0.0000 63.2417 32.5539 176.3972 101 L 4.1981 8.5029 119.6347 56.6176 42.3691 177.5576 102 I 4.0137 7.8036 110.2223 60.9087 38.3208 174.8096 103 S 4.7717 8.5233 115.8182 57.0025 65.5265 174.2224 104 L 4.6360 8.3835 122.4758 54.4748 41.9196 176.3845 105 S 4.4505 7.8327 111.7414 58.3387 65.7242 175.5978 106 G 3.7306 8.6233 111.3218 45.2022 0.0000 174.1140 *107 E 3.9780 8.4698 113.3675 59.0851 29.8107 173.0470 108 Y 4.9768 7.2966 115.4314 57.8428 38.0838 174.9533 109 S 4.4458 7.9026 115.7797 58.6970 62.9312 173.9939 110 I 3.9840 8.4684 119.8419 60.2971 37.9300 175.4969 111 I 3.6893 7.1449 122.8516 63.0493 37.3689 176.5309 112 G 3.8213 9.5415 113.2971 45.2840 0.0000 172.6869 113 R 4.7130 7.5134 118.6153 54.6376 33.9360 174.5471 114 T 5.0022 7.8264 114.8498 62.1614 71.2041 173.8401 115 M 4.5806 8.6742 126.8812 55.0142 33.7397 174.8979 116 V 4.9001 9.1134 126.4538 60.9299 34.9943 174.2133 117 V 5.0223 8.4628 127.0653 60.5411 33.4189 175.1031 118 H 5.1998 10.0112 123.1405 54.3755 30.3560 175.3097 119 E 4.1657 9.2508 121.3857 59.3491 29.7368 177.1378 120 K 4.6445 8.2218 117.8906 53.8548 35.2379 173.8937 121 P 4.8240 0.0000 0.0000 62.5104 32.2519 175.9419 122 D 4.8101 10.4648 123.9539 53.7715 41.1603 175.9612 123 D 4.5741 9.6517 124.9925 53.2156 39.5189 176.5462 124 L 3.5112 9.1310 118.1475 56.0242 39.7837 175.2490 125 G 4.3984 8.9356 103.5921 46.8040 0.0000 174.9668 126 R 4.6504 8.0479 117.5798 55.6476 30.7216 177.1862 127 G 3.8210 7.6208 107.7168 44.5329 0.0000 174.8303 128 G 3.8324 9.1432 107.3792 45.8726 0.0000 172.8722 129 N 4.8382 7.7582 113.3455 50.0546 40.2383 174.5235 130 E 4.0279 8.9221 120.5207 59.6080 29.7480 178.4427 131 E 3.8719 8.3152 118.8190 59.7904 29.4981 178.6696 132 S 4.2312 9.6948 114.0330 61.3167 62.3569 175.4611 133 T 4.2900 8.5222 110.8993 62.4598 68.6908 175.9425 134 K 4.3201 7.7118 120.2453 57.7289 33.6927 176.7225 135 T 4.2074 7.9572 105.7430 60.1794 70.0731 174.9189 136 G 3.8767 8.0068 109.9982 45.6776 0.0000 173.5137 137 N 4.2828 7.7442 114.2338 53.9077 36.8659 175.6627 138 A 4.3469 7.7298 118.0830 52.2332 19.2417 180.0903 139 G 4.1412 7.4548 104.6126 45.1351 0.0000 173.7630 140 S 4.3215 7.7836 113.7552 59.1621 64.3360 174.1988 141 R 4.5579 8.3687 120.2094 55.3425 30.5640 176.3576 142 L 4.3217 9.1331 125.5558 57.1727 42.9687 177.0905 143 A 5.1665 7.7153 118.4432 50.8561 23.0867 173.6822 144 C 5.5171 8.6280 113.2366 55.8653 43.9435 172.8793 145 G 4.8529 8.1626 104.5399 45.8902 0.0000 172.3972 146 V 4.4351 8.2655 121.4670 62.2861 32.8802 175.4491 147 I 4.2165 9.0088 129.1607 60.7548 38.1470 175.3369 148 G 4.4290 8.8558 114.3375 43.8484 0.0000 172.1941 149 I 4.2812 8.3124 121.2785 61.1680 37.5566 175.5769 150 A 4.8570 8.3178 127.9604 49.3686 22.1578 176.1898 151 K 4.0637 8.5693 119.0732 56.7830 32.3013 176.8754 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 A 8.25 4.36 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 2 T 8.41 4.49 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 1.23 0.00 0.00 3 K 8.37 5.29 0.00 1.89 1.75 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 4 A 9.11 5.37 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 0.00 0.00 0.00 0.00 0.00 5 V 8.80 5.13 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 0.75 0.00 0.00 0.91 0.00 0.00 6 C 9.52 5.07 0.00 3.27 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 7 V 8.43 4.66 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 0.97 0.00 0.00 0.95 0.00 0.00 8 L 9.35 4.91 0.00 1.62 1.60 1.08 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.00 4.82 0.00 1.68 1.64 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 10 G 7.95 4.50 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 0.00 0.00 0.00 11 D 8.87 4.49 0.00 2.68 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 12 G 7.66 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 13 P 0.00 4.48 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 14 V 7.77 4.27 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 1.02 0.00 0.00 0.91 0.00 0.00 15 Q 8.02 4.83 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 16 G 8.02 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 0.00 0.00 0.00 0.00 17 T 7.89 5.20 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 1.20 0.00 0.00 18 I 8.77 4.66 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.56 0.00 0.00 19 H 8.92 5.39 0.00 3.03 3.22 0.00 5.55 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 20 F 9.28 5.31 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 21 E 9.02 5.20 0.00 2.08 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 2.24 2.30 0.00 22 A 9.17 4.77 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 23 K 8.79 4.38 0.00 1.94 1.76 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.21 7.81 24 G 8.24 3.81 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 0.00 0.00 0.00 25 D 8.90 4.91 0.00 2.65 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 26 T 7.87 4.88 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 1.23 0.00 0.00 27 V 8.94 4.81 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 1.14 0.00 0.00 1.06 0.00 0.00 28 V 9.04 4.65 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 0.87 0.00 0.00 0.96 0.00 0.00 29 V 8.85 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 0.79 0.00 0.00 1.02 0.00 0.00 30 T 8.50 5.74 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 1.18 0.00 0.00 31 G 8.13 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 0.00 0.00 0.00 0.00 32 S 8.32 5.10 0.00 3.81 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 33 I 8.99 4.93 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.96 0.00 0.00 34 T 8.74 4.76 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 35 G 8.78 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 0.00 0.00 0.00 36 L 7.75 4.40 0.00 1.90 1.50 0.82 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.27 4.23 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 1.25 0.00 0.00 38 E 8.66 4.02 0.00 2.05 1.92 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 2.30 2.54 0.00 39 G 8.83 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.31 5.27 0.00 2.52 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 41 H 9.80 5.08 0.00 2.95 3.42 0.00 5.63 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 42 G 9.07 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 43 F 9.27 5.39 0.00 2.98 2.93 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 44 H 8.85 5.18 0.00 3.10 2.96 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.45 4.42 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 0.71 0.00 0.00 0.94 0.00 0.00 46 H 9.32 4.88 0.00 3.11 3.48 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 9.07 3.71 0.00 1.82 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.69 0.00 0.00 0.00 0.00 0.00 1.49 2.21 0.00 48 F 8.34 4.90 0.00 3.17 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 49 G 8.38 4.61 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 0.00 0.00 0.00 50 D 8.03 4.65 0.00 2.64 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 51 N 8.75 5.16 0.00 2.69 2.76 0.00 0.00 7.37 7.70 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 52 T 8.53 4.02 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 53 Q 8.05 4.65 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 54 G 7.72 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 55 C 8.60 4.46 0.00 2.98 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 56 T 7.68 3.89 4.54 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 1.23 0.00 0.00 57 S 7.84 4.51 0.00 4.02 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 58 A 7.51 4.60 1.45 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 0.00 0.00 59 G 8.03 3.74 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 0.00 0.00 0.00 60 P 0.00 4.72 0.00 2.05 2.21 0.00 3.71 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 2.05 1.99 0.00 61 H 8.29 4.54 0.00 2.85 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.39 4.31 0.00 2.86 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 63 N 8.26 4.97 0.00 2.63 2.48 0.00 0.00 6.91 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 64 P 0.00 4.19 0.00 2.24 2.06 0.00 3.25 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.38 0.00 65 L 7.77 4.36 0.00 1.59 1.71 0.76 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.55 3.66 0.00 4.01 3.91 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 67 K 8.05 4.55 0.00 1.76 1.73 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.57 7.81 68 K 8.37 4.53 0.00 1.70 1.69 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.54 7.81 69 H 8.98 4.14 0.00 3.39 3.16 0.00 5.72 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 70 G 7.79 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 0.00 0.00 0.00 0.00 71 G 8.32 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 72 P 0.00 4.32 0.00 2.20 2.23 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 73 K 7.86 4.17 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 74 D 7.73 4.63 0.00 2.75 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 75 E 8.54 4.14 0.00 1.98 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 2.18 1.85 0.00 76 E 7.78 4.40 0.00 1.99 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 2.28 2.29 0.00 77 R 7.47 5.08 0.00 1.93 1.85 0.00 2.86 0.00 0.00 3.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 78 H 9.77 4.69 0.00 3.42 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.17 3.40 1.51 0.00 0.00 0.00 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 0.48 0.00 0.00 80 G 8.38 3.96 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 0.00 0.00 0.00 81 D 8.00 5.05 0.00 2.68 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 82 L 8.22 4.63 0.00 1.92 1.85 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.49 3.96 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 0.00 0.00 0.00 84 N 8.78 5.63 0.00 2.57 2.69 0.00 0.00 6.62 7.68 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 85 V 9.04 4.39 1.84 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 0.05 0.00 0.00 0.77 0.00 0.00 86 T 8.10 5.22 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 1.31 0.00 0.00 87 A 9.76 4.40 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 88 D 8.45 4.60 0.00 2.93 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 89 K 8.50 4.04 0.00 2.14 1.99 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.03 7.81 90 N 8.26 4.47 0.00 2.87 2.89 0.00 0.00 7.00 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 91 G 8.34 4.32 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 0.00 92 V 8.16 4.77 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 0.90 0.00 0.00 0.92 0.00 0.00 93 A 9.21 5.20 1.13 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 94 I 8.24 4.45 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.87 0.00 0.00 95 V 8.65 3.88 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 0.79 0.00 0.00 0.47 0.00 0.00 96 D 8.37 5.20 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.02 4.73 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.98 0.00 0.00 98 V 8.40 4.81 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 0.80 0.00 0.00 0.94 0.00 0.00 99 D 9.47 5.12 0.00 2.80 2.50 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 0.00 100 P 0.00 4.90 0.00 2.20 2.14 0.00 3.79 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 1.90 1.96 0.00 101 L 8.50 4.20 0.00 1.67 1.62 0.74 0.23 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 0.00 102 I 7.80 4.01 1.98 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 1.56 0.63 1.05 0.00 0.00 103 S 8.52 4.77 0.00 3.97 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 0.00 104 L 8.38 4.64 0.00 1.75 1.74 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.83 4.45 0.00 3.93 3.79 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 0.00 106 G 8.62 3.73 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 0.00 0.00 0.00 *107 E 8.47 3.98 0.00 2.00 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 1.91 0.00 108 Y 7.30 4.98 0.00 3.12 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 0.00 109 S 7.90 4.45 0.00 3.81 3.74 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 0.00 110 I 8.47 3.98 1.67 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.28 1.04 0.00 0.00 111 I 7.14 3.69 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.74 0.84 0.00 0.00 112 G 9.54 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 0.00 113 R 7.51 4.71 0.00 1.61 1.81 0.00 2.21 0.00 0.00 2.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.26 0.00 114 T 7.83 5.00 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 M 8.67 4.58 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 116 V 9.11 4.90 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 0.73 0.00 0.00 0.73 0.00 0.00 117 V 8.46 5.02 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 0.95 0.00 0.00 1.05 0.00 0.00 118 H 10.01 5.20 0.00 3.38 3.61 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.25 4.17 0.00 2.12 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 2.37 2.34 0.00 120 K 8.22 4.64 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.56 7.81 121 P 0.00 4.82 0.00 1.94 2.00 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 122 D 10.46 4.81 0.00 2.80 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 0.00 123 D 9.65 4.57 0.00 2.92 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 0.00 124 L 9.13 3.51 0.00 1.81 1.75 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.94 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.05 4.65 0.00 2.21 1.91 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 127 G 7.62 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 0.00 128 G 9.14 3.83 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 0.00 0.00 0.00 129 N 7.76 4.84 0.00 2.78 2.75 0.00 0.00 6.22 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 0.00 130 E 8.92 4.03 0.00 2.05 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 0.00 2.38 2.37 0.00 131 E 8.32 3.87 0.00 2.11 2.21 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 2.38 2.52 0.00 132 S 9.69 4.23 0.00 3.95 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 0.00 133 T 8.52 4.29 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 1.31 0.00 0.00 134 K 7.71 4.32 0.00 1.81 1.85 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.46 7.81 135 T 7.96 4.21 4.15 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 1.22 0.00 0.00 136 G 8.01 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 0.00 0.00 0.00 137 N 7.74 4.28 0.00 3.00 2.87 0.00 0.00 6.93 7.20 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 0.00 138 A 7.73 4.35 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 0.00 139 G 7.45 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 0.00 140 S 7.78 4.32 0.00 4.07 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 0.00 141 R 8.37 4.56 0.00 1.68 1.83 0.00 3.18 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 142 L 9.13 4.32 0.00 1.68 1.69 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.72 5.17 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 0.00 144 C 8.63 5.52 0.00 3.02 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 0.00 145 G 8.16 4.85 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 0.00 146 V 8.27 4.44 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 0.78 0.00 0.00 0.95 0.00 0.00 147 I 9.01 4.22 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.49 0.34 0.00 0.00 148 G 8.86 4.43 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 0.00 149 I 8.31 4.28 1.86 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 1.25 0.54 0.91 0.00 0.00 150 A 8.32 4.86 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 0.00 151 K 8.57 4.06 0.00 1.74 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.