NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.1084 8.3716 117.1803 51.7296 39.3463 172.6377 3 L 3.8704 8.3836 117.3172 54.3472 41.9999 174.6516 4 P 5.0059 0.0000 0.0000 62.7436 32.4317 176.3846 5 T 4.2382 8.4488 111.4413 60.8325 71.3147 175.4577 6 A 3.9910 8.4300 122.0788 55.5714 18.3029 179.7971 7 Q 3.9355 7.9731 115.9428 59.1329 28.8292 178.7082 8 E 3.9270 7.9217 119.3027 59.1722 29.4222 179.5009 9 V 3.0867 7.8974 118.6733 65.8582 31.5692 178.0955 10 Q 4.0767 8.0330 117.9497 58.8403 28.5245 179.1522 11 G 3.5394 7.7923 106.2640 47.6840 0.0000 175.8458 12 L 4.0091 8.0190 121.9607 57.8923 41.5109 179.6507 13 M 4.2287 8.2926 118.4289 58.2309 31.8279 178.7436 14 A 4.0255 7.9592 120.7330 55.0328 18.5025 179.6591 15 R 3.9970 8.2070 117.3762 59.3349 30.1424 178.2910 16 F 4.0124 8.3465 120.5531 61.6221 39.2863 177.2649 17 I 3.4504 7.5637 119.2523 64.2797 36.8485 178.3091 18 E 3.9185 7.9551 119.0588 59.3673 29.2429 179.4335 19 L 3.8932 7.9246 119.1312 57.6169 41.3943 179.7412 20 V 3.3163 7.2040 117.3671 65.7066 31.4729 177.2494 21 D 4.4127 8.0149 117.1765 57.6129 41.2144 178.5104 22 V 3.8153 7.6386 111.1634 61.9602 31.6996 176.6000 23 G 3.6694 8.0026 106.1730 46.9231 0.0000 174.6704 24 D 4.5449 7.7256 120.3332 52.2183 40.1464 175.0503 25 I 3.6213 7.9859 126.3071 64.2376 37.5551 177.3984 26 E 3.9729 8.1553 118.3868 59.3885 29.1096 179.1756 27 A 4.0509 7.9637 119.7269 54.9032 18.7433 179.5686 28 I 3.7098 7.7461 118.4921 64.5905 37.1708 178.7742 29 V 3.8361 7.9124 119.0745 66.2138 31.1313 177.9452 30 Q 4.2038 7.9066 116.0695 58.5364 28.7795 177.3643 31 M 4.2575 8.0701 119.2976 57.0797 32.4924 175.7990 32 Y 4.7547 7.6131 116.1643 56.3013 39.5815 175.4283 33 A 4.3043 8.7183 126.2654 51.7806 19.5037 178.6961 34 D 4.4579 8.8001 119.6164 55.6670 39.5088 177.5934 35 D 4.7776 7.8041 117.3988 52.4857 39.9343 175.9243 36 A 4.5529 7.7543 121.6951 53.2717 19.8983 177.3335 37 T 5.0377 8.5892 109.3587 59.8482 72.0261 173.2491 38 V 4.8054 8.6649 123.5324 61.1891 35.0289 173.9115 39 E 4.7072 9.2961 127.6242 54.6965 31.7396 175.0089 40 N 5.1352 8.2514 124.0461 51.3911 41.4539 172.1416 41 P 4.5270 0.0000 0.0000 61.3642 33.4202 175.4646 42 F 4.0477 8.6367 123.6105 59.3465 39.4866 174.5390 43 G 3.5834 7.7406 116.3062 45.6632 0.0000 173.9987 44 Q 4.3277 7.2064 118.0131 53.0486 30.3364 173.7008 45 P 4.1517 0.0000 0.0000 62.7255 31.4888 174.4887 46 P 4.7016 0.0000 0.0000 62.7253 32.4240 175.4008 47 I 4.4583 8.4598 115.1458 59.7688 40.2090 173.8649 48 H 5.0969 9.0309 123.2582 55.6282 32.7634 173.9897 49 G 4.0432 8.8535 110.4717 46.0631 0.0000 174.6777 50 R 3.9076 8.2619 119.4771 58.8753 29.9563 179.3254 51 E 3.9248 8.0839 118.6693 59.5381 29.8074 178.8152 52 Q 4.0458 7.9974 117.5464 58.9476 28.8288 178.6664 53 I 3.7522 7.9509 120.7251 64.2452 37.0457 178.3297 54 A 4.1334 8.5408 121.8868 55.1621 18.3028 179.4733 55 A 3.9607 8.1261 119.3447 55.1845 18.3910 179.6207 56 F 4.1604 8.3388 119.0402 61.8992 39.5404 177.1058 57 Y 3.6688 8.0818 116.2397 60.8745 37.3737 178.6287 58 R 4.0328 8.1105 118.6569 59.1917 30.2081 178.5572 59 Q 4.1758 7.8567 118.6953 58.9676 29.1383 178.0302 60 G 3.4536 7.8063 105.9943 45.9120 0.0000 173.8925 61 L 4.4039 7.6723 120.8191 53.1030 42.9537 177.2448 *65 K 4.1078 8.2107 121.8026 56.0249 32.2492 174.2623 66 V 4.7214 7.7559 120.4465 60.7822 34.6965 174.3190 67 R 5.0004 8.9707 124.9140 54.4125 33.6117 174.5048 68 A 5.4358 9.2244 123.9276 50.6169 22.5162 175.2088 69 C 4.7984 8.8685 114.7570 56.6488 33.4691 173.5130 70 L 4.7901 8.6789 121.8037 55.0111 41.9289 176.9529 71 T 4.5018 8.2104 111.9736 60.6547 69.1364 173.5357 72 G 3.9848 7.3326 109.4468 44.7141 0.0000 171.5868 73 P 4.4547 0.0000 0.0000 62.1848 32.0135 176.0587 74 V 3.9143 8.1407 119.9129 62.8987 32.4602 175.2205 75 R 4.6170 9.0944 127.4044 54.8628 31.5794 175.2678 76 A 5.2380 8.5971 125.3636 50.1719 22.2114 175.2416 77 S 4.5933 8.7315 115.8786 57.1338 65.7626 173.7220 78 H 4.8282 8.6867 114.8843 55.7978 28.6095 175.3284 79 N 4.9415 7.6609 117.7498 52.6236 37.6282 175.2717 80 G 3.9697 8.4870 104.1488 47.4194 0.0000 173.1541 81 C 5.5289 7.7440 115.8959 58.0336 32.3573 172.9644 82 G 4.6091 8.8399 106.3737 45.5995 0.0000 171.7475 83 A 5.5051 9.3115 121.6025 50.4708 23.0447 175.1998 84 M 5.2322 9.1545 117.3507 53.3231 35.3762 171.8902 85 P 5.4650 0.0000 0.0000 61.7852 33.9432 174.1771 86 F 5.2501 8.5974 116.5566 56.2395 42.0272 172.5109 87 R 4.9608 9.1708 118.9748 54.4537 33.5637 173.9759 88 V 4.9624 8.6735 124.5184 61.1308 34.6154 173.8554 89 E 5.2412 9.3181 127.6097 54.9817 32.6256 175.2024 90 M 5.1138 8.8462 120.8399 54.2861 35.2151 173.0006 91 V 4.7743 8.4257 117.5946 61.1843 32.8213 175.4380 92 W 4.7529 9.3016 135.0000 56.3369 31.0273 174.6045 93 N 4.1710 9.9264 123.8119 54.7524 35.6888 174.8339 94 G 4.2525 7.6383 108.3329 46.3917 0.0000 175.6710 95 Q 4.2569 7.8720 119.3797 54.2080 29.6044 173.5315 96 P 4.9599 0.0000 0.0000 63.2866 32.3342 175.2701 97 C 5.2847 9.6433 118.7202 58.2336 33.1363 172.7445 98 A 5.1626 9.0618 121.7967 50.2301 22.6474 175.0062 99 L 4.9129 8.8811 122.5456 53.4559 45.4643 174.8034 100 D 4.9829 8.6085 126.8679 53.3435 41.9705 176.2031 101 V 4.7096 8.2755 122.4941 61.0794 35.9835 174.0223 102 I 5.1777 8.4100 124.1983 59.7584 40.8947 174.0789 103 D 5.6370 9.2737 127.0062 52.7005 43.6222 175.4970 104 V 4.5863 8.9049 122.5850 61.4449 34.3333 174.2022 105 M 5.1925 9.1692 126.7866 53.4115 36.3403 174.2654 106 R 5.0546 8.5373 122.0518 54.7158 32.7708 174.6577 107 F 5.1493 9.4861 125.6737 56.2203 41.4964 175.4038 108 D 4.8978 8.7650 121.6904 51.6053 41.8147 176.8745 109 E 4.2037 8.7190 115.6082 58.8504 29.5020 177.5131 110 H 4.6198 8.8835 116.2792 55.3321 29.1462 175.3890 111 G 3.9429 8.3419 107.5136 46.1117 0.0000 173.7691 112 R 4.8219 7.9809 117.4723 53.7450 32.6728 175.4198 113 I 3.3158 8.3316 122.3554 61.6864 37.4359 176.5457 114 Q 4.1372 9.2058 129.7785 58.2836 30.5210 175.7038 115 T 5.1965 7.5427 114.0380 61.9943 73.2473 172.6671 116 M 5.2223 8.9861 124.5291 53.9165 35.9796 173.7584 117 Q 5.0730 9.2225 124.1528 54.0683 32.5853 174.0228 118 A 5.3664 8.9735 126.4328 49.8519 21.4429 174.9338 119 Y 4.7040 9.3205 122.1750 57.1581 39.2801 175.1723 120 W 4.8850 8.3378 120.2107 57.0260 30.6559 173.4090 121 S 4.3638 8.3909 113.8841 57.6400 65.4379 174.9897 122 E 4.0766 8.8505 118.5992 59.7676 29.1715 179.8506 123 V 3.8005 7.4467 109.7301 63.5662 31.8435 176.3557 124 N 4.8843 8.4546 116.6663 52.8624 39.6175 173.9729 125 L 5.0344 7.7558 121.7613 53.7621 43.9370 175.9887 126 S 4.7950 9.1228 121.2844 56.6685 66.8058 174.7654 127 V 4.1911 8.5014 123.2515 61.7930 31.3479 175.3958 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 N 8.37 5.11 0.00 2.76 2.73 0.00 0.00 6.64 6.90 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 3 L 8.38 3.87 0.00 1.67 1.64 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 5.01 0.00 1.93 1.85 0.00 3.45 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 5 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 6 A 8.43 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 7 Q 7.97 3.94 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 7.92 3.93 0.00 2.14 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 2.26 2.25 0.00 9 V 7.90 3.09 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 1.05 0.00 0.00 0.74 0.00 0.00 10 Q 8.03 4.08 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 11 G 7.79 3.54 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 0.00 0.00 0.00 12 L 8.02 4.01 0.00 1.44 1.72 0.36 1.08 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 13 M 8.29 4.23 0.00 2.13 2.23 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 2.93 2.77 0.00 14 A 7.96 4.03 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 15 R 8.21 4.00 0.00 1.91 2.14 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 F 8.35 4.01 0.00 3.24 3.25 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 17 I 7.56 3.45 1.95 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.67 0.82 0.00 0.00 18 E 7.96 3.92 0.00 2.13 1.95 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 2.30 2.51 0.00 19 L 7.92 3.89 0.00 1.56 1.51 0.87 0.59 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 20 V 7.20 3.32 1.91 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 0.72 0.00 0.00 0.23 0.00 0.00 21 D 8.01 4.41 0.00 2.82 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 22 V 7.64 3.82 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 0.78 0.00 0.00 0.99 0.00 0.00 23 G 8.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.54 0.00 2.67 2.51 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 0.00 0.00 0.00 0.00 25 I 7.99 3.62 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.50 0.94 0.00 0.00 26 E 8.16 3.97 0.00 2.00 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 2.41 2.38 0.00 27 A 7.96 4.05 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 28 I 7.75 3.71 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.95 0.27 0.00 0.00 29 V 7.91 3.84 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 1.10 0.00 0.00 1.05 0.00 0.00 30 Q 7.91 4.20 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 31 M 8.07 4.26 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 32 Y 7.61 4.75 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 33 A 8.72 4.30 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 34 D 8.80 4.46 0.00 2.84 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 35 D 7.80 4.78 0.00 2.83 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 36 A 7.75 4.55 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 37 T 8.59 5.04 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 1.29 0.00 0.00 38 V 8.66 4.81 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 0.92 0.00 0.00 0.83 0.00 0.00 39 E 9.30 4.71 0.00 1.96 1.80 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 2.12 2.18 0.00 40 N 8.25 5.14 0.00 2.61 2.45 0.00 0.00 7.26 7.69 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 41 P 0.00 4.53 0.00 1.33 0.49 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.00 42 F 8.64 4.05 0.00 2.25 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 43 G 7.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.21 4.33 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 45 P 0.00 4.15 0.00 2.09 1.99 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 46 P 0.00 4.70 0.00 2.05 2.02 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 47 I 8.46 4.46 1.86 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.47 0.71 0.00 0.00 48 H 9.03 5.10 0.00 3.08 3.14 0.00 5.96 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 49 G 8.85 4.04 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 0.00 0.00 0.00 50 R 8.26 3.91 0.00 1.92 2.02 0.00 3.17 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 51 E 8.08 3.92 0.00 2.04 1.95 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 2.39 2.42 0.00 52 Q 8.00 4.05 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 7.95 3.75 1.91 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.84 0.74 0.00 0.00 54 A 8.54 4.13 1.43 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 55 A 8.13 3.96 1.43 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 56 F 8.34 4.16 0.00 3.06 3.16 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 0.00 57 Y 8.08 3.67 0.00 3.16 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 58 R 8.11 4.03 0.00 1.85 2.00 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 59 Q 7.86 4.18 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 60 G 7.81 3.45 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 0.00 61 L 7.67 4.40 0.00 1.65 1.59 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.21 4.11 0.00 1.77 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.38 7.81 66 V 7.76 4.72 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 0.81 0.00 0.00 0.91 0.00 0.00 67 R 8.97 5.00 0.00 1.76 1.76 0.00 3.12 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 68 A 9.22 5.44 1.16 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 0.00 0.00 0.00 69 C 8.87 4.80 0.00 3.03 3.01 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 70 L 8.68 4.79 0.00 1.60 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.21 4.50 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 1.32 0.00 0.00 72 G 7.33 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 73 P 0.00 4.45 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.60 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 74 V 8.14 3.91 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 0.82 0.00 0.00 0.97 0.00 0.00 75 R 9.09 4.62 0.00 1.96 1.83 0.00 3.24 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 76 A 8.60 5.24 1.14 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 77 S 8.73 4.59 0.00 3.84 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 78 H 8.69 4.83 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.66 4.94 0.00 2.77 2.88 0.00 0.00 6.90 6.85 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 80 G 8.49 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 81 C 7.74 5.53 0.00 2.88 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 82 G 8.84 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 83 A 9.31 5.51 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 84 M 9.15 5.23 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 85 P 0.00 5.46 0.00 2.17 2.24 0.00 3.82 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 2.15 1.99 0.00 86 F 8.60 5.25 0.00 3.41 3.18 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 87 R 9.17 4.96 0.00 1.99 1.79 0.00 3.04 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 88 V 8.67 4.96 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 1.00 0.00 0.00 1.17 0.00 0.00 89 E 9.32 5.24 0.00 1.90 1.80 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 2.20 2.22 0.00 90 M 8.85 5.11 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 91 V 8.43 4.77 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 0.89 0.00 0.00 0.96 0.00 0.00 92 W 9.30 4.75 0.00 3.26 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 93 N 9.93 4.17 0.00 2.30 2.58 0.00 0.00 7.39 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 94 G 7.64 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 0.00 0.00 0.00 0.00 95 Q 7.87 4.26 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.04 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 96 P 0.00 4.96 0.00 2.09 2.07 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 97 C 9.64 5.28 0.00 2.81 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 98 A 9.06 5.16 1.17 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 0.00 0.00 99 L 8.88 4.91 0.00 1.43 1.20 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.61 4.98 0.00 2.59 2.52 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 0.00 101 V 8.28 4.71 0.71 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 1.13 0.00 0.00 0.57 0.00 0.00 102 I 8.41 5.18 1.93 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 1.26 0.51 0.92 0.00 0.00 103 D 9.27 5.64 0.00 2.90 2.68 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 0.00 104 V 8.90 4.59 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 1.00 0.00 0.00 0.95 0.00 0.00 105 M 9.17 5.19 0.00 1.36 1.73 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00 106 R 8.54 5.05 0.00 1.85 1.70 0.00 3.09 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 107 F 9.49 5.15 0.00 2.95 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 0.00 108 D 8.77 4.90 0.00 2.90 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 0.00 109 E 8.72 4.20 0.00 2.12 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 0.00 2.45 2.29 0.00 110 H 8.88 4.62 0.00 3.27 3.42 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.34 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 0.00 112 R 7.98 4.82 0.00 2.20 1.94 0.00 3.27 0.00 0.00 3.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 113 I 8.33 3.32 1.15 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.30 0.51 0.00 0.00 114 Q 9.21 4.14 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 115 T 7.54 5.20 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 1.24 0.00 0.00 116 M 8.99 5.22 0.00 2.23 1.89 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 117 Q 9.22 5.07 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 118 A 8.97 5.37 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.32 4.70 0.00 3.07 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 0.00 120 W 8.34 4.89 0.00 3.34 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 0.00 121 S 8.39 4.36 0.00 3.93 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 0.00 122 E 8.85 4.08 0.00 2.13 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 2.43 2.47 0.00 123 V 7.45 3.80 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 0.69 0.00 0.00 0.98 0.00 0.00 124 N 8.45 4.88 0.00 2.97 2.98 0.00 0.00 6.37 6.35 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 0.00 125 L 7.76 5.03 0.00 1.65 1.76 0.88 0.79 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 0.00 126 S 9.12 4.79 0.00 3.75 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 0.00 127 V 8.50 4.19 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 0.81 0.00 0.00 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.