NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 D 4.7126 8.3644 119.6237 52.3944 42.5076 174.8287 14 D 4.5299 7.6638 121.9348 51.4242 41.8412 175.5454 15 I 3.3081 8.3153 129.0870 63.1398 38.7429 176.6898 16 A 3.8649 8.1767 122.0985 55.3140 18.0773 179.0757 17 F 4.0090 7.9216 118.9602 61.8165 39.4010 177.0322 18 Y 3.5731 7.5764 115.4598 60.4859 37.7366 177.4036 19 E 4.0560 7.8943 119.6963 59.5808 29.5327 179.1949 20 E 3.8332 8.3761 119.4261 59.2360 29.6865 178.7378 21 R 3.7041 7.6849 118.1918 59.2329 29.8635 178.7851 22 L 3.9364 8.0287 118.9924 58.0730 42.2534 178.3846 23 R 3.9747 7.9069 117.2711 59.6487 30.2832 177.9010 24 A 4.1472 8.2123 120.2616 54.9137 18.2724 179.7345 25 A 3.9885 7.8997 116.6031 52.8049 18.0071 179.0306 *27 L 4.1987 7.8814 124.5057 56.4567 43.6871 177.6848 28 T 4.2257 8.0405 106.0940 61.1333 69.3541 174.9001 29 G 3.8657 8.1472 109.8422 47.2879 0.0000 174.7238 30 D 4.5361 7.9701 121.0462 52.7398 40.0188 175.3203 31 L 3.9093 8.2844 130.1608 58.2480 42.4028 179.0165 32 K 4.2541 8.0489 123.4251 59.5767 31.7986 181.2820 33 G 3.8241 8.4022 106.9435 47.7583 0.0000 175.8397 34 L 3.9423 8.0022 121.6436 57.5251 41.3862 179.4458 35 E 3.9999 8.2325 117.7827 59.7521 29.4187 179.3106 36 T 4.0836 7.7917 115.0627 66.5124 68.7430 176.5004 37 L 4.4352 8.1146 120.4403 55.4345 41.7093 176.5470 38 L 4.6491 7.1017 118.5809 52.5598 43.1643 176.4949 39 A 4.2369 8.5415 126.8975 52.0446 18.9163 178.2173 40 D 4.4624 8.6180 120.0875 56.6123 41.1357 177.1531 41 D 4.7415 7.9004 117.2140 52.6846 39.5602 175.8054 42 L 4.7137 7.9806 121.8923 55.6659 43.3422 175.7313 43 A 4.8629 8.7267 126.9514 50.2304 21.7314 174.4278 44 F 4.8038 9.1499 125.3951 56.7234 42.4015 174.1349 45 V 4.3995 8.2666 127.6536 62.0924 32.7445 175.8590 46 D 5.2623 8.8776 128.9336 52.2866 41.2809 176.3699 47 H 4.7145 8.8500 112.7884 56.9150 28.6945 175.7372 48 T 4.2362 8.4475 110.0570 61.2489 68.9214 175.4458 49 G 3.8139 8.2562 109.9408 46.0183 0.0000 173.0864 50 C 4.3516 7.9439 120.4071 58.7111 33.0085 172.3397 51 V 4.4789 8.3357 126.0715 61.9325 32.0719 174.9925 52 K 4.8646 9.3142 127.7645 54.8115 35.4584 176.4200 53 T 4.8763 8.3222 113.0347 59.5709 70.7101 175.7059 54 K 3.8556 8.7190 121.5619 60.0901 31.7903 178.4691 55 Q 4.0728 8.0425 117.8454 59.0705 28.5228 178.5372 56 T 3.9840 7.7879 110.1429 64.8112 68.9843 175.9561 57 H 4.2522 8.4728 120.7918 59.0482 30.2766 176.7239 58 L 4.4527 8.1072 119.1155 55.8375 41.6490 178.3796 59 E 3.9689 7.9479 120.3567 59.1553 29.5310 177.0520 60 P 4.3482 0.0000 0.0000 65.5924 31.4838 178.3040 61 Y 4.0868 7.8625 115.2709 61.1470 37.7250 178.2515 62 R 3.9171 8.1120 118.6034 59.2154 30.3016 177.3327 63 A 4.0727 8.4267 119.4616 52.7797 18.6241 178.2130 64 G 3.9639 7.9002 103.1092 45.9575 0.0000 174.7443 65 L 4.2190 7.9369 120.7819 55.8301 42.8485 176.2987 66 L 5.2790 7.8106 120.4642 52.9573 44.7733 175.4313 67 K 4.6317 9.1778 127.0774 54.7283 35.2346 174.7365 68 L 5.0183 8.8083 127.7323 54.0663 42.4442 176.6676 69 S 4.7012 8.8201 117.0785 58.6323 65.1217 174.2199 70 R 4.5682 7.6100 120.2059 55.1478 33.5865 173.9467 71 L 4.9070 8.3634 125.4090 54.5765 43.6195 171.3936 72 D 4.8764 9.3485 122.8945 52.2527 42.7292 175.1689 73 L 5.3108 8.4212 123.9337 53.7230 43.7997 175.8691 74 S 4.4712 9.1097 115.4620 57.5284 67.0988 173.5034 75 D 4.5195 8.8285 116.2443 55.0278 38.0892 174.2156 76 A 4.3732 8.1720 119.8725 52.3168 19.2466 177.9393 77 V 4.4052 9.0187 122.5374 60.9602 34.2650 174.5164 78 V 5.0118 8.4097 126.6557 61.2726 34.1964 174.5877 79 R 4.8488 9.0254 124.8689 54.4457 34.7808 173.6848 80 A 5.0657 8.6245 122.4407 50.2390 20.7999 177.3099 81 A 4.5463 8.4370 123.5088 49.9477 18.3105 176.2327 82 G 3.8594 8.1244 111.3564 43.7107 0.0000 171.8400 83 E 4.1312 8.7528 118.2187 58.5778 29.7819 177.2246 84 D 4.9060 8.2795 116.7482 53.5434 41.6585 175.0986 85 G 4.8037 8.1866 105.2749 44.7214 0.0000 172.4599 86 R 5.1379 9.4767 121.8948 54.2855 34.6384 174.1475 87 V 4.8872 9.0366 124.0964 61.3140 33.9274 174.5015 88 V 4.8964 9.0490 127.4834 61.0988 34.5890 174.0609 89 V 5.0779 9.0705 128.4169 61.1331 33.9572 174.5835 90 V 4.8648 9.1359 127.0380 60.0485 35.4670 174.1529 91 R 4.8400 8.9782 123.1566 55.7652 31.7897 174.8976 92 A 5.2404 9.4178 127.6087 50.2558 22.4371 174.7306 93 V 4.6885 9.0088 124.0249 61.6257 33.1612 174.8093 94 T 5.3652 9.0320 118.0082 60.2874 72.4507 172.6656 95 A 4.4032 7.9236 122.5335 50.8536 23.1423 176.7604 96 G 3.6014 6.2605 105.6277 46.0267 0.0000 171.9660 97 V 4.9948 8.1542 120.0535 61.2117 34.5773 175.0136 98 Y 5.2654 9.0438 126.7848 57.2621 41.3978 174.7830 99 D 4.1619 9.5209 127.9073 55.2791 39.0171 174.9525 100 G 3.9668 8.5344 105.5118 45.1486 0.0000 173.5126 101 E 4.8428 8.0330 119.5790 53.8894 32.5038 175.5625 102 A 4.7255 8.7776 126.3267 52.4084 19.3399 176.4313 103 F 5.2184 8.8441 115.5981 55.6064 42.1511 173.4584 104 T 5.0696 8.5662 108.9725 60.1443 71.4929 172.7307 105 E 4.8444 9.5210 125.3054 55.1794 34.0694 173.5004 106 T 5.1306 8.6886 122.3661 61.9212 71.3565 173.1083 107 L 5.2881 9.3368 125.9744 52.8794 46.5370 175.2429 108 R 5.0618 8.8283 121.9440 54.9203 32.1920 174.7663 109 F 5.3078 9.3469 125.1667 56.0939 41.9344 174.5555 110 T 5.1658 9.0474 120.1136 61.9092 71.1097 173.5269 111 R 5.0076 9.2855 124.9558 54.3727 34.6486 174.4130 112 I 4.9684 8.7974 123.9097 59.5342 40.0850 174.4100 113 W 5.4602 9.6132 128.2218 54.9138 31.7452 175.4258 114 R 5.3319 9.2113 120.7523 54.3319 31.7661 175.3461 115 R 3.1548 8.4121 123.0811 56.0338 30.7460 175.6365 116 T 4.5898 8.4439 118.2523 60.8100 72.2253 174.1733 117 Q 4.9720 8.2020 121.3033 53.9462 33.1606 177.3702 118 G 3.7849 9.2189 109.2283 47.8865 0.0000 174.6548 119 P 4.1972 0.0000 0.0000 61.7526 31.7322 175.8788 120 A 4.1627 8.6043 127.5660 52.9011 18.8393 176.0808 121 G 4.6848 8.2772 111.3323 46.1846 0.0000 171.2889 122 W 5.5274 8.1081 119.0555 54.8857 33.0713 175.0423 123 K 5.2280 9.2306 121.6464 54.5008 36.4008 175.1342 124 L 4.0041 8.7105 125.9209 54.7803 42.4477 177.4429 125 V 4.0967 8.9220 126.3511 63.0566 33.6855 175.5066 126 A 4.9660 7.5151 120.5066 51.2425 22.8834 174.9986 127 G 4.0102 8.3164 104.9643 46.2591 0.0000 171.9428 128 H 4.9512 8.5221 119.4462 54.5649 33.6153 171.8779 129 C 5.2693 8.9225 120.0593 56.5516 32.9041 173.0047 130 S 4.6842 8.4350 114.5638 56.8560 66.4553 173.7599 131 V 4.2471 8.2786 114.5656 61.6308 32.3041 175.7014 132 I 4.2202 8.2978 125.5751 60.2257 37.9985 176.1773 133 L 4.3161 8.4246 126.1594 54.8455 42.0178 176.3164 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 13 D 8.36 4.71 0.00 2.71 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 14 D 7.66 4.53 0.00 2.72 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 15 I 8.32 3.31 1.15 0.00 0.00 -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 0.89 0.40 0.65 0.00 0.00 16 A 8.18 3.86 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 17 F 7.92 4.01 0.00 2.80 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 18 Y 7.58 3.57 0.00 2.24 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 0.00 0.00 0.00 0.00 19 E 7.89 4.06 0.00 2.01 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 2.17 2.44 0.00 20 E 8.38 3.83 0.00 2.02 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 2.25 2.30 0.00 21 R 7.68 3.70 0.00 1.76 1.80 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.00 22 L 8.03 3.94 0.00 2.01 2.00 0.91 0.97 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 23 R 7.91 3.97 0.00 1.87 2.08 0.00 3.29 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 24 A 8.21 4.15 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 25 A 7.90 3.99 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 *27 L 7.88 4.20 0.00 1.81 1.75 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.04 4.23 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 1.24 0.00 0.00 29 G 8.15 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 0.00 0.00 0.00 30 D 7.97 4.54 0.00 2.78 2.53 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 31 L 8.28 3.91 0.00 1.80 1.64 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.05 4.25 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.07 7.81 33 G 8.40 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 34 L 8.00 3.94 0.00 1.69 1.54 0.04 0.54 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 35 E 8.23 4.00 0.00 2.06 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 0.00 2.34 2.48 0.00 36 T 7.79 4.08 4.44 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 1.28 0.00 0.00 37 L 8.11 4.44 0.00 1.80 1.95 1.01 0.87 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 38 L 7.10 4.65 0.00 1.68 1.56 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.54 4.24 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 40 D 8.62 4.46 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 41 D 7.90 4.74 0.00 2.77 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 42 L 7.98 4.71 0.00 1.98 1.62 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.73 4.86 1.21 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 0.00 0.00 0.00 44 F 9.15 4.80 0.00 2.91 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 45 V 8.27 4.40 1.50 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 0.55 0.00 0.00 0.71 0.00 0.00 46 D 8.88 5.26 0.00 2.93 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 47 H 8.85 4.71 0.00 3.18 3.36 0.00 5.13 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 48 T 8.45 4.24 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 1.19 0.00 0.00 49 G 8.26 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 50 C 7.94 4.35 0.00 3.03 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 51 V 8.34 4.48 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 0.83 0.00 0.00 0.89 0.00 0.00 52 K 9.31 4.86 0.00 1.85 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.59 7.81 53 T 8.32 4.88 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 1.23 0.00 0.00 54 K 8.72 3.86 0.00 1.85 1.87 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.55 7.81 55 Q 8.04 4.07 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 56 T 7.79 3.98 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 57 H 8.47 4.25 0.00 3.23 3.55 0.00 5.94 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 58 L 8.11 4.45 0.00 1.79 1.73 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.95 3.97 0.00 2.22 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 0.00 2.33 2.43 0.00 60 P 0.00 4.35 0.00 1.96 2.19 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 61 Y 7.86 4.09 0.00 3.17 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 62 R 8.11 3.92 0.00 1.92 2.17 0.00 3.48 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 63 A 8.43 4.07 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 G 7.90 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 65 L 7.94 4.22 0.00 1.73 1.73 0.85 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.81 5.28 0.00 1.59 1.13 1.00 -0.24 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 67 K 9.18 4.63 0.00 1.91 1.63 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.46 7.81 68 L 8.81 5.02 0.00 1.65 1.62 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.82 4.70 0.00 3.79 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 70 R 7.61 4.57 0.00 1.82 1.77 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 71 L 8.36 4.91 0.00 1.67 1.52 0.94 1.17 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 72 D 9.35 4.88 0.00 2.63 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 73 L 8.42 5.31 0.00 1.52 1.59 0.87 0.89 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 74 S 9.11 4.47 0.00 3.88 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 75 D 8.83 4.52 0.00 2.87 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 76 A 8.17 4.37 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 77 V 9.02 4.41 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 1.00 0.00 0.00 0.99 0.00 0.00 78 V 8.41 5.01 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 0.86 0.00 0.00 0.90 0.00 0.00 79 R 9.03 4.85 0.00 1.73 1.75 0.00 3.32 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 80 A 8.62 5.07 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 81 A 8.44 4.55 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 82 G 8.12 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.75 4.13 0.00 1.98 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 2.35 2.39 0.00 84 D 8.28 4.91 0.00 2.72 2.53 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 85 G 8.19 4.80 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 86 R 9.48 5.14 0.00 1.40 1.57 0.00 3.04 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.54 0.00 87 V 9.04 4.89 2.12 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 1.00 0.00 0.00 0.98 0.00 0.00 88 V 9.05 4.90 2.41 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 1.06 0.00 0.00 0.98 0.00 0.00 89 V 9.07 5.08 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 1.01 0.00 0.00 0.96 0.00 0.00 90 V 9.14 4.86 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 0.74 0.00 0.00 1.03 0.00 0.00 91 R 8.98 4.84 0.00 1.96 2.02 0.00 3.06 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 92 A 9.42 5.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.01 4.69 2.12 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 1.09 0.00 0.00 0.97 0.00 0.00 94 T 9.03 5.37 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 1.41 0.00 0.00 95 A 7.92 4.40 1.10 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 96 G 6.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.99 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 1.05 0.00 0.00 0.94 0.00 0.00 98 Y 9.04 5.27 0.00 2.83 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 99 D 9.52 4.16 0.00 2.36 2.41 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 0.00 100 G 8.53 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 0.00 101 E 8.03 4.84 0.00 2.08 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 0.00 2.22 2.22 0.00 102 A 8.78 4.73 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 0.00 103 F 8.84 5.22 0.00 3.16 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 0.00 104 T 8.57 5.07 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 1.17 0.00 0.00 105 E 9.52 4.84 0.00 2.27 2.01 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 2.27 2.35 0.00 106 T 8.69 5.13 4.28 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 1.25 0.00 0.00 107 L 9.34 5.29 0.00 1.50 1.29 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.83 5.06 0.00 1.90 1.74 0.00 3.14 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 109 F 9.35 5.31 0.00 3.09 3.02 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 0.00 110 T 9.05 5.17 4.20 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 1.21 0.00 0.00 111 R 9.29 5.01 0.00 1.86 1.66 0.00 3.01 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 1.60 1.78 0.00 112 I 8.80 4.97 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.98 0.00 0.00 113 W 9.61 5.46 0.00 3.24 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 0.00 114 R 9.21 5.33 0.00 1.87 2.10 0.00 2.77 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 115 R 8.41 3.15 0.00 0.67 1.32 0.00 2.98 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 116 T 8.44 4.59 4.18 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 1.22 0.00 0.00 117 Q 8.20 4.97 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 118 G 9.22 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 0.00 119 P 0.00 4.20 0.00 2.09 2.07 0.00 3.85 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 2.05 2.10 0.00 120 A 8.60 4.16 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 0.00 121 G 8.28 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 122 W 8.11 5.53 0.00 1.91 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 0.00 123 K 9.23 5.23 0.00 1.74 1.72 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.44 7.81 124 L 8.71 4.00 0.00 0.61 1.17 -0.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.92 4.10 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 0.72 0.00 0.00 0.93 0.00 0.00 126 A 7.52 4.97 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 0.00 127 G 8.32 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 0.00 128 H 8.52 4.95 0.00 2.96 2.88 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 C 8.92 5.27 0.00 2.04 2.33 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 0.00 130 S 8.43 4.68 0.00 3.85 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 0.00 131 V 8.28 4.25 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 0.68 0.00 0.00 0.91 0.00 0.00 132 I 8.30 4.22 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.92 0.00 0.00 133 L 8.42 4.32 0.00 1.59 1.52 0.91 0.89 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 * Residues marked with a * may have inaccurate shift predictions.