NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2242 8.2649 123.5859 51.6658 19.7945 176.7354 3 R 4.1826 8.3862 121.0254 55.6885 29.2081 175.1484 4 I 3.8829 8.7947 126.0674 63.3580 38.6252 175.9367 5 A 4.6868 7.5046 120.8081 50.4338 23.5002 180.4844 6 G 3.2613 8.3479 105.4790 45.5074 0.0000 176.3127 7 V 4.5201 8.6360 119.8720 62.5697 33.0120 173.5961 8 E 4.7101 8.6364 117.6839 54.2497 31.5270 175.9575 9 I 4.5853 8.0569 123.4301 58.9144 39.0789 173.1702 10 P 4.6756 0.0000 0.0000 62.5985 32.1539 175.3351 11 R 4.5279 8.2236 116.3803 55.5711 34.3725 176.6702 12 N 3.9993 7.6256 114.6633 54.8992 35.3532 173.6872 13 K 4.6398 8.0588 117.9745 54.7002 36.9548 175.5859 14 R 5.1742 8.2050 115.1246 55.0648 30.7763 177.8024 15 V 3.4921 8.5110 116.2400 64.7132 31.4012 178.1869 16 D 4.3968 8.1190 117.1279 56.1237 38.7121 177.9635 17 V 3.9124 8.2601 118.8935 64.9688 31.8074 176.5523 18 A 3.4903 8.3502 117.7775 54.8095 17.5638 179.9073 19 L 3.8324 7.3521 118.4476 57.2606 42.5731 178.6552 20 T 4.3124 7.5113 114.2914 66.5499 68.5675 175.9206 21 Y 4.7998 9.0511 116.7591 58.2927 37.4177 175.5139 22 I 5.6117 8.0898 120.2769 58.4683 40.6170 174.5029 23 Y 4.0258 8.7836 125.5183 60.2293 38.5547 175.6274 24 G 3.7443 8.3957 116.2409 45.2517 0.0000 172.7988 25 I 4.1636 7.8409 121.3462 59.6526 38.1800 174.1425 26 G 4.4935 7.9985 119.5395 45.0768 0.0000 174.0296 27 K 3.8135 8.5985 118.6713 59.7687 32.4088 178.3920 28 A 4.0713 8.1316 120.9851 54.4051 17.9351 178.8920 29 R 4.0883 7.9638 119.4987 58.6522 30.8030 178.6427 30 A 4.2042 7.4729 120.6881 55.2324 18.2569 179.4613 31 K 4.1951 8.0739 115.2835 58.0618 32.0723 178.6409 32 E 4.2134 8.1898 118.9171 57.0295 31.0298 176.1763 33 A 4.7413 7.6192 121.5478 50.1884 18.2393 175.1826 34 L 5.1130 7.3410 119.8297 55.7630 49.5177 177.6952 35 E 4.2305 7.5362 112.7418 57.1641 30.1275 177.2498 36 K 4.2302 7.6610 117.0033 56.6206 34.5496 177.2211 37 T 3.8483 7.5556 108.8548 63.8448 69.5029 174.2255 38 G 3.9325 9.0143 113.3199 44.8964 0.0000 172.0802 39 I 4.3762 7.1172 122.3308 60.2347 41.6430 174.2476 40 N 4.6195 8.5646 122.0729 51.9387 38.8430 173.7139 41 P 4.1710 0.0000 0.0000 65.8244 31.4562 177.6464 42 A 4.0972 8.1580 118.4883 53.7447 18.6958 177.1056 43 T 4.3099 7.7957 107.7635 60.4671 70.2067 175.0283 44 R 4.4782 8.2483 123.5911 56.0037 30.8540 177.6421 45 V 3.7648 8.4645 120.5799 64.4202 31.8968 177.7871 46 K 4.1001 7.7353 118.3842 59.8910 32.7446 176.7743 47 D 4.9223 8.0897 118.7756 49.5011 41.0714 175.4619 48 L 4.9782 8.5493 128.8759 54.7408 41.6658 173.7851 49 T 3.7863 7.5998 118.5009 63.3822 70.0196 174.9259 50 E 3.9643 8.9280 124.3300 59.5169 29.5928 179.6284 51 A 4.0839 7.9104 120.3432 55.0205 18.5057 179.0195 52 E 3.8722 8.2616 116.7422 59.7736 29.1184 179.5860 53 V 3.5773 7.4671 117.6713 66.1926 31.3102 178.0260 54 V 3.5783 7.3386 116.3451 66.0863 31.3669 177.7740 55 R 3.9158 8.6607 118.7686 59.8668 29.7281 177.4592 56 L 4.1411 8.1747 120.8452 57.0096 42.1002 178.2083 57 R 3.9171 9.4831 118.8815 60.3709 30.1660 177.9076 58 E 3.8666 9.7750 117.6404 60.0018 29.3200 178.2892 59 Y 3.9562 8.2500 118.0039 61.9157 38.1044 178.7478 60 V 3.0919 8.5177 115.1929 67.1222 31.3959 177.5979 61 E 3.9628 8.0752 121.2418 59.5964 30.1093 178.6108 62 N 4.3134 8.3296 115.6164 57.4691 39.1710 175.8495 63 T 2.9605 7.6994 111.8736 65.8305 69.6686 177.7388 64 W 4.8065 4.9900 122.1167 55.9548 27.9639 180.1803 65 K 4.2021 8.9974 116.0118 57.4913 32.1889 172.4402 66 L 3.8154 8.2080 128.6670 55.5180 38.4657 173.2372 67 E 4.1277 8.7599 124.5444 53.4111 33.7371 181.3594 68 G 3.7207 10.2908 114.8208 45.7854 0.0000 174.9134 69 E 5.6228 9.4659 114.0717 53.3201 30.7862 174.9920 70 L 4.0319 8.5099 124.9802 57.7729 41.7831 178.8877 71 R 3.9580 8.2133 120.0939 59.5412 30.2705 177.9800 72 A 4.1678 9.1006 121.5231 54.5799 18.4560 179.0488 73 E 3.9148 8.6411 118.2916 59.9210 29.6680 179.3636 74 V 3.4851 7.6445 117.6278 66.7229 31.8912 176.6676 75 A 3.8773 8.2115 118.5532 54.9873 17.7006 180.2738 76 A 3.7547 7.2465 115.9178 54.3050 19.7088 178.9064 77 N 4.2051 7.9983 114.8241 56.9274 38.4920 177.3922 78 I 3.6254 7.3541 119.5280 64.4581 37.5285 178.1470 79 K 4.0094 8.2159 119.4735 59.7689 31.9204 179.0336 80 R 3.8781 9.4472 118.5341 59.7039 29.7826 178.3995 81 L 3.9575 8.3121 118.8117 57.8014 41.2729 179.1314 82 M 3.8797 8.6294 118.3551 56.5938 32.4442 178.5966 83 D 4.0498 8.2193 108.7006 52.5453 43.0466 178.0479 84 I 3.9976 8.6798 119.3864 61.5366 37.9225 175.2667 85 G 4.2286 9.8517 111.0231 45.5147 0.0000 174.6074 86 C 4.1559 8.6054 114.1816 58.7749 31.5867 171.6899 87 Y 4.0746 8.8511 120.4192 61.9823 37.9785 178.5762 88 R 3.8946 8.2410 121.0224 59.1709 28.9260 178.7673 89 G 3.8471 7.4132 105.6117 48.9074 0.0000 174.0179 90 L 4.3597 8.0245 123.4086 54.4873 43.8381 176.9106 91 R 4.1113 8.6095 123.0885 59.1174 29.0008 178.3159 92 H 3.9021 7.8685 113.7598 58.8034 29.1654 178.1247 93 R 3.8465 7.4185 116.8160 59.2036 29.8497 177.5660 94 R 4.2547 8.0241 114.3176 55.1652 30.1604 175.6673 95 G 4.0178 7.4097 103.8944 47.1193 0.0000 173.5084 96 L 4.7669 8.4143 117.9221 51.1156 44.9471 175.2465 97 P 4.0739 0.0000 0.0000 63.4076 31.0921 176.1164 98 V 4.2384 8.2240 122.9496 61.2905 32.6438 175.6038 99 R 4.4217 8.3188 127.4096 57.7217 31.1991 176.7984 100 G 3.7810 7.9252 98.5143 46.9669 0.0000 170.9200 101 Q 4.3917 7.9475 128.4059 54.6537 32.6028 175.6604 102 R 4.4453 8.2541 117.0646 55.3339 29.0930 176.9182 103 T 3.9723 8.2312 113.3882 64.0970 69.2654 176.2229 104 R 4.0017 8.1244 122.0363 59.1526 30.4986 176.3281 105 T 4.1730 7.3166 105.1179 62.4219 68.6759 179.0819 106 N 4.6191 8.3979 117.9683 52.8915 38.8025 176.4994 107 A 3.7652 8.9808 129.0152 53.8327 15.9415 179.6172 108 R 4.0279 7.3127 117.6179 59.6913 30.2224 178.4330 109 T 4.0929 7.8662 114.1894 65.6803 68.7223 175.5426 110 R 4.3671 7.7559 117.9870 56.5744 31.4079 176.8362 111 K 4.2348 7.9956 117.2036 55.2438 32.7589 176.9766 112 G 3.5218 8.5634 110.7614 46.0185 0.0000 171.0785 113 P 3.6924 0.0000 0.0000 63.5419 31.1153 175.0170 114 R 4.1571 8.3439 121.2515 55.2942 29.0821 177.1845 115 K 4.4599 8.5286 125.6519 58.1955 31.1177 177.8305 116 T 2.9651 7.5984 109.4842 63.5597 69.1982 173.1884 117 V 3.4315 8.9316 128.5365 62.1961 33.3313 170.3131 118 A 4.2507 7.4120 125.5670 52.6720 21.8183 174.2703 119 G 3.9767 7.6955 102.7681 46.8591 0.0000 173.3505 120 K 4.2453 7.9186 120.3983 55.4974 33.4350 176.8817 121 K 4.7296 8.2353 119.4579 54.5621 35.9755 175.9722 122 K 4.5460 8.3512 119.9517 53.9770 34.9274 176.2556 123 A 4.0748 8.6492 126.5664 52.0020 18.9391 175.6620 124 P 4.3505 0.0000 0.0000 66.0178 32.2728 178.2676 125 R 4.1096 7.7284 119.9388 56.0758 27.7115 177.3672 *126 K 4.1215 7.7055 122.3711 54.7574 32.4047 177.3631 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 2 A 8.26 4.22 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 3 R 8.39 4.18 0.00 1.91 1.97 0.00 3.27 0.00 0.00 2.26 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 4 I 8.79 3.88 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.97 0.00 0.00 5 A 7.50 4.69 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 6 G 8.35 3.26 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 7 V 8.64 4.52 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 0.88 0.00 0.00 0.94 0.00 0.00 8 E 8.64 4.71 0.00 2.09 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 2.27 2.28 0.00 9 I 8.06 4.59 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.46 0.99 0.00 0.00 10 P 0.00 4.68 0.00 2.10 2.07 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 11 R 8.22 4.53 0.00 1.87 1.84 0.00 3.16 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 12 N 7.63 4.00 0.00 2.78 3.07 0.00 0.00 6.62 7.61 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 13 K 8.06 4.64 0.00 1.72 1.59 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.46 7.81 14 R 8.20 5.17 0.00 2.30 2.03 0.00 3.15 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 15 V 8.51 3.49 2.08 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 0.94 0.00 0.00 0.98 0.00 0.00 16 D 8.12 4.40 0.00 2.81 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 17 V 8.26 3.91 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 0.87 0.00 0.00 0.88 0.00 0.00 18 A 8.35 3.49 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 19 L 7.35 3.83 0.00 1.67 1.77 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.51 4.31 4.42 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 0.00 0.00 0.00 1.32 0.00 0.00 21 Y 9.05 4.80 0.00 2.83 2.95 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 22 I 8.09 5.61 2.08 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 1.25 1.55 1.08 0.00 0.00 23 Y 8.78 4.03 0.00 3.02 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 24 G 8.40 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 25 I 7.84 4.16 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 1.01 0.00 0.00 26 G 8.00 4.49 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 0.00 0.00 0.00 27 K 8.60 3.81 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.56 7.81 28 A 8.13 4.07 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 29 R 7.96 4.09 0.00 1.63 1.97 0.00 2.69 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.36 0.00 30 A 7.47 4.20 1.34 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 0.00 0.00 0.00 31 K 8.07 4.20 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 E 8.19 4.21 0.00 2.30 2.45 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 2.52 2.74 0.00 33 A 7.62 4.74 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 0.00 0.00 0.00 0.00 0.00 34 L 7.34 5.11 0.00 1.80 1.62 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.54 4.23 0.00 2.11 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 2.21 0.00 36 K 7.66 4.23 0.00 0.79 1.14 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.25 7.81 37 T 7.56 3.85 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 1.02 0.00 0.00 38 G 9.01 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 0.00 0.00 0.00 39 I 7.12 4.38 1.86 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 1.45 0.37 0.90 0.00 0.00 40 N 8.56 4.62 0.00 2.78 2.70 0.00 0.00 6.99 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 41 P 0.00 4.17 0.00 2.07 2.12 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 42 A 8.16 4.10 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 43 T 7.80 4.31 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 1.30 0.00 0.00 44 R 8.25 4.48 0.00 2.01 1.87 0.00 3.26 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 45 V 8.46 3.76 2.08 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 0.78 0.00 0.00 0.94 0.00 0.00 46 K 7.74 4.10 0.00 2.04 2.08 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.37 7.81 47 D 8.09 4.92 0.00 2.76 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 48 L 8.55 4.98 0.00 2.00 1.72 0.92 0.72 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 49 T 7.60 3.79 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 1.25 0.00 0.00 50 E 8.93 3.96 0.00 1.97 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 2.40 2.33 0.00 51 A 7.91 4.08 1.31 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 52 E 8.26 3.87 0.00 2.21 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 0.00 2.40 2.38 0.00 53 V 7.47 3.58 2.27 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 1.01 0.00 0.00 1.00 0.00 0.00 54 V 7.34 3.58 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 0.94 0.00 0.00 1.05 0.00 0.00 55 R 8.66 3.92 0.00 1.85 1.93 0.00 3.12 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 56 L 8.17 4.14 0.00 2.00 1.77 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.48 3.92 0.00 1.97 2.15 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 58 E 9.77 3.87 0.00 2.26 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 2.44 2.49 0.00 59 Y 8.25 3.96 0.00 3.03 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 60 V 8.52 3.09 2.26 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 1.12 0.00 0.00 1.15 0.00 0.00 61 E 8.08 3.96 0.00 2.04 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 2.33 2.37 0.00 62 N 8.33 4.31 0.00 2.68 2.72 0.00 0.00 7.29 7.74 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 63 T 7.70 2.96 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 0.16 0.00 0.00 64 W 4.99 4.81 0.00 3.32 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 65 K 9.00 4.20 0.00 1.91 1.92 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 66 L 8.21 3.82 0.00 1.99 2.08 1.22 1.05 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 67 E 8.76 4.13 0.00 2.09 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 2.30 2.32 0.00 68 G 10.29 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 69 E 9.47 5.62 0.00 2.06 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 2.10 2.07 0.00 70 L 8.51 4.03 0.00 1.91 1.84 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.21 3.96 0.00 0.98 1.84 0.00 2.95 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 72 A 9.10 4.17 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 73 E 8.64 3.91 0.00 2.29 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 0.00 2.32 2.33 0.00 74 V 7.64 3.49 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 1.04 0.00 0.00 1.11 0.00 0.00 75 A 8.21 3.88 1.40 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 76 A 7.25 3.75 1.38 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 0.00 0.00 77 N 8.00 4.21 0.00 2.86 2.90 0.00 0.00 7.12 8.75 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 78 I 7.35 3.63 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.64 0.97 0.00 0.00 79 K 8.22 4.01 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.59 7.81 80 R 9.45 3.88 0.00 1.97 2.17 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 81 L 8.31 3.96 0.00 1.83 1.62 0.78 0.72 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 82 M 8.63 3.88 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 83 D 8.22 4.05 0.00 2.88 2.34 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 0.00 84 I 8.68 4.00 1.88 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 1.35 0.84 0.92 0.00 0.00 85 G 9.85 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 0.00 0.00 0.00 0.00 86 C 8.61 4.16 0.00 3.20 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 87 Y 8.85 4.07 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.24 3.89 0.00 1.93 1.98 0.00 3.31 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 89 G 7.41 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 90 L 8.02 4.36 0.00 1.57 1.51 0.93 0.84 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 91 R 8.61 4.11 0.00 1.88 2.06 0.00 3.07 0.00 0.00 2.71 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.00 92 H 7.87 3.90 0.00 3.46 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.42 3.85 0.00 1.67 1.97 0.00 3.36 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 94 R 8.02 4.25 0.00 1.71 1.88 0.00 3.42 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 95 G 7.41 4.02 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 0.00 0.00 0.00 96 L 8.41 4.77 0.00 1.45 1.53 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.07 0.00 2.17 2.09 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 98 V 8.22 4.24 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 0.72 0.00 0.00 0.96 0.00 0.00 99 R 8.32 4.42 0.00 1.80 1.83 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 100 G 7.93 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 0.00 0.00 0.00 101 Q 7.95 4.39 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 102 R 8.25 4.45 0.00 1.87 1.89 0.00 3.13 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 103 T 8.23 3.97 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 0.00 104 R 8.12 4.00 0.00 1.79 2.04 0.00 3.22 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 105 T 7.32 4.17 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 0.00 106 N 8.40 4.62 0.00 2.85 2.54 0.00 0.00 6.78 7.54 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 0.00 107 A 8.98 3.77 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 0.00 108 R 7.31 4.03 0.00 1.95 2.00 0.00 3.30 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 109 T 7.87 4.09 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 0.00 110 R 7.76 4.37 0.00 1.76 1.94 0.00 3.16 0.00 0.00 3.19 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 111 K 8.00 4.23 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.48 7.81 112 G 8.56 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 0.00 113 P 0.00 3.69 0.00 2.27 2.08 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 1.90 1.95 0.00 114 R 8.34 4.16 0.00 1.82 1.95 0.00 3.21 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 115 K 8.53 4.46 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.62 7.81 116 T 7.60 2.97 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 0.00 117 V 8.93 3.43 2.08 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 0.73 0.00 0.00 1.00 0.00 0.00 118 A 7.41 4.25 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 0.00 119 G 7.70 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 0.00 0.00 0.00 120 K 7.92 4.25 0.00 1.76 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 121 K 8.24 4.73 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.58 7.81 122 K 8.35 4.55 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 123 A 8.65 4.07 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 0.00 124 P 0.00 4.35 0.00 2.19 2.18 0.00 3.77 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 1.98 1.98 0.00 125 R 7.73 4.11 0.00 1.82 1.95 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *126 K 7.71 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.