NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4562 0.0000 0.0000 62.7715 33.5623 178.6307 7 L 3.8800 7.7586 119.0237 56.0883 41.4532 175.8030 8 E 3.8163 8.5517 121.0459 59.2746 30.1227 178.3257 9 A 4.2514 8.0163 120.3573 55.2035 18.5474 179.2525 10 Q 3.9536 8.0415 117.5474 59.0468 29.1306 178.1579 11 A 3.8850 8.4786 122.2302 55.0310 18.4322 179.6192 12 W 4.3340 8.0993 117.1831 59.9289 28.8909 178.6428 13 A 4.2840 7.8688 119.3420 55.1330 18.2160 179.3479 14 L 4.1012 8.0097 117.5026 58.0883 41.6517 179.8593 15 L 4.0337 8.0656 118.7868 57.6184 41.3291 179.0974 16 E 4.1651 8.3450 117.0215 58.0395 29.4455 177.8731 17 A 4.7683 7.4888 119.0894 50.8380 19.8143 176.4033 18 V 4.0935 7.5469 119.8684 61.9637 32.6194 174.3397 19 Y 4.9097 8.6522 125.7879 56.4571 40.2049 174.7235 20 D 4.7125 9.2032 123.9844 52.4128 42.0657 175.4151 21 P 4.3178 0.0000 0.0000 65.9419 31.5819 177.5643 22 E 4.0904 8.2187 117.3356 58.3554 29.5837 177.7010 23 L 4.4691 7.9381 116.5101 53.6486 42.9901 177.0279 24 G 4.2732 8.2747 106.3763 46.3490 0.0000 173.3725 25 L 5.0860 7.3342 115.2447 51.5955 46.1297 176.0136 26 D 4.4232 7.9880 119.9438 52.9329 41.6765 177.8770 27 V 3.5676 8.3140 114.9649 64.3142 31.4307 179.3834 28 V 3.6846 7.7123 117.7253 66.1974 31.6871 177.7131 29 N 4.4733 9.2466 115.9634 55.4710 38.1345 176.8667 30 L 4.4189 7.8147 119.4282 55.1003 41.8861 177.5387 31 G 4.1919 7.9589 106.0108 47.1814 0.0000 174.6739 32 L 3.9528 7.9544 120.4409 55.7231 41.9596 177.2211 33 I 4.1285 7.6826 119.7901 60.6632 37.3036 174.8125 34 Y 4.8943 8.7164 124.4881 59.9813 39.0234 175.7012 35 D 4.8739 7.9357 116.4595 53.2543 45.0026 174.1625 36 L 4.9345 8.3881 125.7461 53.8704 45.2862 174.9187 37 V 4.3723 9.2497 126.3904 61.1884 34.7904 174.0891 38 V 4.6188 8.0107 127.1841 61.4599 33.0326 175.1602 39 E 4.5479 9.2117 128.6166 52.8859 30.4312 172.5789 40 P 4.3715 0.0000 0.0000 61.7943 32.3202 174.0065 41 P 5.6073 0.0000 0.0000 62.6279 32.5244 175.2525 42 R 5.2772 8.3636 118.6944 55.0452 33.9808 174.5927 43 A 5.1223 8.8333 122.2496 50.5225 22.8672 174.5038 44 Y 5.3016 9.4473 123.0058 55.7481 42.6547 174.6311 45 V 4.5159 8.0391 124.7169 59.9712 35.1245 173.8175 46 R 4.9846 8.2240 123.9661 53.9199 33.0828 174.9807 *48 T 4.0249 8.0831 117.3583 61.9314 68.2639 172.1544 49 L 4.6795 7.8189 120.9854 52.6882 44.7085 177.1795 50 T 3.5837 8.0161 109.7631 63.2106 69.1595 174.6440 51 T 4.7813 7.4282 111.3843 58.7338 71.8320 171.8393 52 P 3.7380 0.0000 0.0000 63.2322 32.0586 176.8649 53 G 3.8699 7.5344 104.7650 46.0693 0.0000 172.7164 54 C 4.6001 8.2205 118.6955 57.7715 29.1788 172.3581 55 P 4.6140 0.0000 0.0000 61.8658 32.1258 176.2596 56 L 4.0272 8.5594 119.3794 57.4841 41.6515 177.6001 57 H 4.7805 7.8692 114.5338 53.6266 31.4929 174.4528 58 D 4.6615 8.4436 126.7260 53.1467 38.2038 176.4292 59 S 4.1193 7.8789 118.8751 60.7539 63.6089 176.4113 60 L 3.9949 7.8617 123.8994 57.9683 41.9761 178.9155 61 G 3.6572 8.2307 107.0969 47.1669 0.0000 175.2628 62 E 3.9049 8.2328 121.4609 59.0117 29.6667 178.8318 63 A 3.9607 8.0582 120.9352 55.0104 18.3957 179.8272 64 V 3.4701 7.8802 116.8986 65.9557 31.5804 178.2324 65 R 3.7921 8.0306 118.4782 59.5069 29.7110 178.4254 66 Q 3.9373 7.9758 116.3434 58.8970 29.1003 178.4123 67 A 4.1244 7.9883 121.5762 55.3800 18.4900 179.8078 68 L 3.9559 7.8980 117.5811 57.6242 41.4225 179.6628 69 S 4.2468 7.7860 113.1639 60.7320 62.9999 176.2642 70 R 4.0318 7.5762 120.8850 57.4286 29.8917 176.9667 71 L 4.1657 7.4572 120.4109 53.4992 42.2764 174.7766 72 P 4.3118 0.0000 0.0000 63.9138 32.0873 176.9434 73 G 3.7622 8.8694 108.7650 45.6283 0.0000 173.0205 74 V 4.4682 7.1394 118.8407 61.7231 30.5189 174.9508 75 E 4.3984 8.5027 126.6599 57.0106 30.8287 176.1571 76 E 4.5874 8.4056 121.0946 54.1793 32.9114 174.3301 77 V 4.7724 8.5321 126.6310 61.1787 33.9028 173.9821 78 E 4.4734 9.2079 130.5861 54.7996 31.1674 174.6851 79 V 4.4553 8.3852 127.4623 61.3415 33.2811 174.2546 80 E 4.5355 8.9244 129.1568 54.7246 31.4324 175.2923 81 V 4.1450 8.2142 124.9613 61.5351 32.4044 174.8019 82 T 4.4989 7.9774 120.6465 60.5284 70.6799 173.2849 83 F 4.9996 8.6638 120.6927 56.9713 39.7030 175.1727 84 E 4.6689 8.2521 120.9988 53.8347 30.8572 174.3291 85 P 4.6559 0.0000 0.0000 61.1213 32.5220 174.3033 86 P 4.7602 0.0000 0.0000 62.3150 32.0630 176.1127 87 W 4.5599 8.9156 131.3584 57.5934 31.7149 174.9674 88 T 4.2056 6.7576 111.9884 59.6104 71.3828 174.6418 89 L 3.4629 7.7479 121.0558 57.0683 41.6816 179.4612 90 A 3.9593 7.2194 120.6166 54.4721 17.9520 178.3493 91 R 4.2398 7.5706 113.9643 56.5162 30.5368 176.7473 92 L 4.3421 7.5200 119.1258 54.6570 42.0926 177.1731 93 S 4.5116 8.3901 117.1438 57.2024 64.3029 174.1573 94 E 4.0295 8.7187 121.3449 59.2420 29.5246 177.6870 95 K 3.9338 8.2470 118.0305 59.2990 32.3957 175.9619 96 A 4.2141 7.7323 124.5074 52.5091 18.1920 176.8368 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 6 P 0.00 4.46 0.00 2.25 2.39 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 7 L 7.76 3.88 0.00 1.78 1.73 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.55 3.82 0.00 2.11 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 2.54 2.61 0.00 9 A 8.02 4.25 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 10 Q 8.04 3.95 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 11 A 8.48 3.89 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 12 W 8.10 4.33 0.00 3.58 3.19 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 13 A 7.87 4.28 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 14 L 8.01 4.10 0.00 1.87 1.71 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.07 4.03 0.00 1.94 1.74 0.57 0.60 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 16 E 8.35 4.17 0.00 2.18 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 2.37 2.63 0.00 17 A 7.49 4.77 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 18 V 7.55 4.09 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 1.00 0.00 0.00 0.90 0.00 0.00 19 Y 8.65 4.91 0.00 2.89 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 20 D 9.20 4.71 0.00 2.61 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 21 P 0.00 4.32 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 22 E 8.22 4.09 0.00 1.97 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 2.34 2.27 0.00 23 L 7.94 4.47 0.00 1.67 1.74 1.03 1.02 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 24 G 8.27 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 25 L 7.33 5.09 0.00 1.78 1.54 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.99 4.42 0.00 2.57 1.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.57 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 0.78 0.00 0.00 0.92 0.00 0.00 28 V 7.71 3.68 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 1.02 0.00 0.00 1.25 0.00 0.00 29 N 9.25 4.47 0.00 2.84 2.87 0.00 0.00 7.14 7.33 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 30 L 7.81 4.42 0.00 1.72 1.73 0.89 1.07 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 31 G 7.96 4.19 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 0.00 32 L 7.95 3.95 0.00 1.63 1.59 0.63 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.68 4.13 2.21 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.92 0.94 0.00 0.00 34 Y 8.72 4.89 0.00 2.98 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 35 D 7.94 4.87 0.00 2.88 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 36 L 8.39 4.93 0.00 1.23 1.24 0.62 -0.63 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 37 V 9.25 4.37 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 0.71 0.00 0.00 1.03 0.00 0.00 38 V 8.01 4.62 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 0.80 0.00 0.00 0.81 0.00 0.00 39 E 9.21 4.55 0.00 1.98 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 2.21 2.25 0.00 40 P 0.00 4.37 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.61 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 41 P 0.00 5.61 0.00 2.10 2.24 0.00 3.79 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 2.04 1.83 0.00 42 R 8.36 5.28 0.00 1.74 1.83 0.00 3.06 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 43 A 8.83 5.12 1.15 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 0.00 0.00 0.00 44 Y 9.45 5.30 0.00 2.95 2.72 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 45 V 8.04 4.52 1.82 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 0.60 0.00 0.00 0.70 0.00 0.00 46 R 8.22 4.98 0.00 1.79 1.81 0.00 3.29 0.00 0.00 3.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 *48 T 8.08 4.02 3.75 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 0.89 0.00 0.00 49 L 7.82 4.68 0.00 1.80 1.51 0.99 0.72 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 50 T 8.02 3.58 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 0.25 0.00 0.00 51 T 7.43 4.78 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 1.24 0.00 0.00 52 P 0.00 3.74 0.00 1.98 1.92 0.00 3.75 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 1.91 1.91 0.00 53 G 7.53 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 54 C 8.22 4.60 0.00 3.02 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 55 P 0.00 4.61 0.00 2.33 2.07 0.00 3.83 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 2.00 2.00 0.00 56 L 8.56 4.03 0.00 1.63 1.65 0.89 0.99 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 57 H 7.87 4.78 0.00 3.09 3.16 0.00 5.69 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 58 D 8.44 4.66 0.00 2.73 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 59 S 7.88 4.12 0.00 4.07 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 0.00 60 L 7.86 3.99 0.00 1.72 1.62 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.23 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 62 E 8.23 3.90 0.00 2.17 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 0.00 2.29 2.35 0.00 63 A 8.06 3.96 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 64 V 7.88 3.47 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 0.86 0.00 0.00 0.86 0.00 0.00 65 R 8.03 3.79 0.00 1.96 2.02 0.00 3.28 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 66 Q 7.98 3.94 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 67 A 7.99 4.12 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 68 L 7.90 3.96 0.00 1.77 1.65 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.79 4.25 0.00 4.02 4.07 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 0.00 0.00 0.00 70 R 7.58 4.03 0.00 1.96 2.02 0.00 3.32 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 71 L 7.46 4.17 0.00 1.77 1.56 0.89 0.67 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 72 P 0.00 4.31 0.00 2.17 2.04 0.00 3.81 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 1.96 0.00 73 G 8.87 3.76 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 0.00 0.00 0.00 74 V 7.14 4.47 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 0.79 0.00 0.00 0.91 0.00 0.00 75 E 8.50 4.40 0.00 1.88 1.98 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 2.26 2.29 0.00 76 E 8.41 4.59 0.00 2.01 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 2.20 2.22 0.00 77 V 8.53 4.77 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 0.78 0.00 0.00 0.90 0.00 0.00 78 E 9.21 4.47 0.00 2.14 1.98 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 2.34 2.32 0.00 79 V 8.39 4.46 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 0.74 0.00 0.00 0.83 0.00 0.00 80 E 8.92 4.54 0.00 1.79 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 0.00 2.33 2.60 0.00 81 V 8.21 4.15 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 0.38 0.00 0.00 0.83 0.00 0.00 82 T 7.98 4.50 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 1.33 0.00 0.00 83 F 8.66 5.00 0.00 3.14 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 84 E 8.25 4.67 0.00 2.02 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 0.00 2.32 2.33 0.00 85 P 0.00 4.66 0.00 2.17 2.00 0.00 3.28 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 86 P 0.00 4.76 0.00 2.33 2.23 0.00 3.83 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 2.06 2.02 0.00 87 W 8.92 4.56 0.00 3.38 3.24 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 88 T 6.76 4.21 3.99 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 1.12 0.00 0.00 89 L 7.75 3.46 0.00 1.55 1.66 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.22 3.96 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 91 R 7.57 4.24 0.00 1.77 2.12 0.00 3.12 0.00 0.00 3.54 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 92 L 7.52 4.34 0.00 1.80 1.64 1.29 0.78 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 93 S 8.39 4.51 0.00 3.96 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 94 E 8.72 4.03 0.00 1.91 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 2.28 2.36 0.00 95 K 8.25 3.93 0.00 1.75 1.99 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.47 7.81 96 A 7.73 4.21 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 * Residues marked with a * may have inaccurate shift predictions.