NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6299 8.3649 120.5341 54.0941 42.2924 174.5738 3 I 4.1377 8.2924 124.7476 60.4239 38.2264 173.6558 4 R 4.5805 9.8669 127.2163 54.6030 33.0144 174.3122 5 Y 5.0192 8.2845 120.4391 56.1556 40.5947 175.0712 6 F 4.7902 9.2940 122.5017 55.9469 43.2109 175.5652 7 G 4.0487 8.9927 109.7863 46.6461 0.0000 173.6263 8 T 4.1052 8.2566 115.0473 62.7705 69.4340 174.2741 9 T 4.5519 8.4056 115.7024 58.5936 71.6289 173.1862 10 P 4.0865 0.0000 0.0000 64.7956 31.5389 177.6648 11 R 4.3961 8.0611 117.8352 57.5939 31.1683 175.3630 12 Y 4.9120 6.9355 111.4902 55.8031 41.2372 173.1099 13 S 5.0019 8.4166 116.0221 56.7999 65.1534 175.3360 14 E 4.0769 8.3249 122.8945 59.0327 30.3403 176.9880 15 A 5.1233 8.2111 119.6953 50.2832 23.3156 175.4717 16 V 4.8485 9.2453 120.8448 61.0202 35.2013 174.5523 17 G 4.7110 9.2346 114.2908 44.5922 0.0000 171.5551 18 A 4.8577 9.2023 124.0862 51.2237 23.2574 175.9444 19 N 4.1453 9.9685 119.5590 54.6708 37.7869 174.9790 20 G 3.9370 8.2696 101.8816 45.5074 0.0000 173.1908 21 L 5.0544 7.9838 119.8515 52.9758 44.9282 175.6755 22 I 5.0451 8.5603 121.6995 59.8012 41.1424 174.2141 23 F 4.9998 9.5784 126.7043 55.7718 40.8851 175.1523 24 L 4.9897 8.6263 124.2570 53.3793 43.1183 176.9571 25 S 4.2584 8.6843 118.4260 58.4459 63.6815 176.4205 26 G 4.3301 8.0097 108.4249 43.9144 0.0000 173.2717 *28 V 3.4920 8.0174 112.2698 59.9272 32.5342 173.5565 29 P 4.4385 0.0000 0.0000 62.7811 31.7388 176.0278 30 E 4.5986 9.6619 118.3561 56.5237 31.2518 175.7525 31 N 4.9717 7.8744 115.7571 52.3784 42.7444 174.6938 32 G 4.0906 8.9816 106.7210 45.9052 0.0000 172.7473 33 E 4.4780 8.6118 118.1935 57.8813 31.4095 178.0320 34 T 4.3046 7.8110 108.2017 60.6180 71.2664 175.2612 35 A 3.9539 8.5214 122.7279 55.3046 18.4201 179.6942 36 A 3.9369 8.5366 119.3869 55.4798 18.6140 179.6694 37 E 3.9120 7.9292 116.9748 59.8256 29.4628 179.7419 38 Q 4.1925 8.4303 118.2097 58.9067 28.6953 178.7446 39 T 3.7781 8.3369 117.1378 66.5156 68.4417 176.3982 40 A 3.8790 7.8623 122.6113 55.1783 18.3941 179.0668 41 D 4.1991 7.8948 116.0878 57.5080 41.3005 178.6779 42 V 3.4774 7.9374 118.8982 66.1042 31.4613 178.0713 43 L 3.4644 8.0447 118.7254 57.2653 41.1756 179.3853 44 A 3.9973 8.1633 121.2606 55.1191 18.2456 179.5941 45 Q 3.9457 8.0127 116.5785 59.1756 28.7804 179.1786 46 I 3.8329 7.8565 120.6493 64.5337 37.1496 178.0035 47 D 4.4907 8.4345 119.8613 57.5014 40.6745 178.8473 48 R 3.7057 8.0222 118.8593 59.4290 30.1246 178.6335 49 W 4.3870 8.1578 118.6129 59.6203 29.0431 178.4738 50 L 3.9891 8.5609 119.2692 57.8676 41.1051 179.4032 51 A 4.1898 8.0692 121.9059 54.7040 18.0963 179.3716 52 E 3.9436 7.7919 116.1681 59.0705 29.8057 177.8855 53 C 3.8192 7.5649 113.9454 59.2050 28.6761 173.7375 54 G 3.7641 8.3879 109.4474 46.2848 0.0000 173.0420 55 S 4.9226 8.2229 114.8602 57.2369 65.8290 171.1108 56 D 4.5335 7.9305 118.2148 52.4978 40.9883 176.0114 57 K 3.7735 8.3189 117.1162 59.5704 32.3942 178.0729 58 A 4.2145 7.8251 120.4657 52.9505 18.5967 177.0035 59 H 4.8123 8.1597 113.4644 55.3156 29.9176 173.2659 60 V 4.1640 7.3599 119.2407 62.7753 32.1855 175.8093 61 L 4.4669 8.9336 127.8846 57.2161 42.8165 176.4443 62 D 5.3648 7.8264 115.7268 52.2992 43.0592 174.1674 63 A 5.0639 9.1711 121.8973 50.6946 22.9993 175.0038 64 V 4.4103 8.7673 123.2801 61.1602 33.9575 174.3762 65 I 4.7008 8.2387 129.2521 59.8320 39.3801 174.0623 66 Y 5.1383 8.9075 125.6954 56.3809 40.1390 174.7054 67 L 5.1362 8.6736 124.0133 52.8018 44.2121 177.3684 68 R 4.1463 8.7541 124.3489 58.7006 30.6514 175.2429 69 D 4.6391 7.6457 116.6425 52.9257 43.8762 174.7705 *71 G 3.8635 8.6139 104.5672 45.7880 0.0000 173.1179 72 D 4.8141 8.2719 119.4442 54.4847 41.0007 177.8459 73 Y 4.0720 8.2161 121.8707 60.8205 39.2728 177.2176 74 A 3.9946 8.1810 122.2897 55.2725 18.8978 179.2275 75 E 4.0905 7.6468 112.2113 57.1297 29.2914 178.0929 *77 N 4.7201 8.3735 116.5873 52.8024 40.3166 176.6819 78 G 3.8329 8.1551 104.8086 48.2047 0.0000 175.8199 79 V 3.7219 7.5016 119.3348 65.1391 31.5845 177.9045 80 W 4.1954 8.2013 127.6695 60.7556 30.4710 177.4540 81 D 4.4429 8.8473 117.5860 57.4922 40.3352 178.5217 82 A 4.1141 7.6193 119.0829 54.3733 18.3811 179.0907 83 W 4.1971 7.4613 125.7140 59.2524 31.3746 177.5184 84 V 2.7692 6.6251 110.4034 60.9839 31.6970 175.7161 85 A 3.8971 7.8396 125.7201 51.0459 18.5173 177.1053 86 A 4.0682 8.3547 126.2348 54.2335 18.7277 177.9459 87 G 4.0208 9.1245 109.8144 45.7939 0.0000 173.5996 88 R 4.6543 7.6501 118.1454 55.2975 30.9575 175.6290 89 T 4.1603 7.6806 107.6825 60.5561 70.2119 173.0787 90 P 4.7723 0.0000 0.0000 61.7667 33.2445 175.3479 91 A 4.3008 8.9553 122.0207 52.3547 19.3852 176.7741 92 R 5.5880 8.6115 119.3945 54.3630 33.4442 173.9672 93 A 4.7983 8.3911 125.6751 50.3120 23.2256 174.2199 94 C 4.9956 8.4287 118.9983 57.8778 34.4628 173.5487 95 V 4.5402 8.5047 118.1724 59.5077 36.3447 174.0010 96 E 4.9611 8.7298 123.1910 55.3354 30.1776 175.2782 97 A 4.7946 8.9260 128.3282 50.3496 22.9928 175.7293 98 R 4.0057 8.7647 121.1595 56.1645 29.6424 176.0798 99 L 4.7466 8.1070 120.2738 52.5227 44.5641 177.1911 100 A 4.0717 8.7985 121.4106 54.3741 18.6428 177.9230 101 R 4.2511 6.5685 114.5667 53.2024 33.0477 174.8733 102 P 4.2161 0.0000 0.0000 65.7995 31.4239 177.6478 103 E 4.1391 7.8086 115.4998 57.7945 29.8025 176.8128 104 W 4.6175 7.7769 120.0233 56.8599 29.3725 176.1521 105 R 4.6137 9.6915 123.6562 57.4387 31.1653 176.8302 106 V 5.1070 7.5705 116.4658 60.3165 34.5411 173.7535 107 E 4.7296 9.3648 123.0255 54.6842 33.5814 173.9154 108 I 5.0569 8.3621 125.6553 59.3338 41.3312 173.9988 109 K 4.5567 9.3831 128.3249 54.8944 34.4082 174.5249 110 I 5.0173 8.4262 128.3074 60.0041 39.9772 174.7333 111 T 4.8967 8.8302 122.3740 61.8098 71.6618 173.1743 112 A 5.2061 8.9866 126.5378 50.8353 23.5598 174.7178 113 V 4.7907 8.1237 111.6505 59.3577 34.4493 176.3236 114 K 4.2935 8.3811 125.4837 55.9874 32.8134 176.9999 115 R 3.9961 8.4600 126.8023 56.5162 30.4622 176.5917 116 D 4.3984 8.7480 122.8949 54.6733 41.9137 176.3374 117 A 4.0751 8.5291 123.5165 52.8918 18.7062 177.2823 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 D 8.36 4.63 0.00 2.70 2.70 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 0.00 0.00 0.00 0.00 3 I 8.29 4.14 1.82 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 1.29 0.60 0.32 0.00 0.00 4 R 9.87 4.58 0.00 1.72 1.74 0.00 3.12 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 5 Y 8.28 5.02 0.00 2.67 2.76 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 6 F 9.29 4.79 0.00 2.94 3.11 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 0.00 0.00 0.00 7 G 8.99 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.26 4.11 4.17 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 1.07 0.00 0.00 9 T 8.41 4.55 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 0.69 0.00 0.00 10 P 0.00 4.09 0.00 2.04 2.13 0.00 3.58 0.00 0.00 3.50 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 11 R 8.06 4.40 0.00 1.83 2.11 0.00 3.47 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 12 Y 6.94 4.91 0.00 3.27 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 13 S 8.42 5.00 0.00 3.93 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 14 E 8.32 4.08 0.00 1.16 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 2.24 1.89 0.00 15 A 8.21 5.12 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 16 V 9.25 4.85 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 0.61 0.00 0.00 0.97 0.00 0.00 17 G 9.23 4.71 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 0.00 0.00 0.00 18 A 9.20 4.86 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 N 9.97 4.15 0.00 2.81 2.86 0.00 0.00 7.12 7.98 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 20 G 8.27 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 21 L 7.98 5.05 0.00 1.80 1.41 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.56 5.05 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.88 0.00 0.00 23 F 9.58 5.00 0.00 2.90 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 24 L 8.63 4.99 0.00 1.58 1.61 1.05 0.84 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 25 S 8.68 4.26 0.00 3.68 3.63 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 26 G 8.01 4.33 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 0.00 0.00 0.00 *28 V 8.02 3.49 0.67 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 0.35 0.00 0.00 0.13 0.00 0.00 29 P 0.00 4.44 0.00 2.11 1.95 0.00 2.90 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 1.67 2.05 0.00 30 E 9.66 4.60 0.00 2.06 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 0.00 2.57 2.26 0.00 31 N 7.87 4.97 0.00 2.95 2.70 0.00 0.00 7.26 7.53 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 32 G 8.98 4.09 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 0.00 0.00 0.00 33 E 8.61 4.48 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 2.26 2.37 0.00 34 T 7.81 4.30 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 1.23 0.00 0.00 35 A 8.52 3.95 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 36 A 8.54 3.94 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 37 E 7.93 3.91 0.00 2.13 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 2.36 0.00 38 Q 8.43 4.19 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 39 T 8.34 3.78 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 1.22 0.00 0.00 40 A 7.86 3.88 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 41 D 7.89 4.20 0.00 2.90 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 42 V 7.94 3.48 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 0.88 0.00 0.00 0.81 0.00 0.00 43 L 8.04 3.46 0.00 1.32 0.21 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.16 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 3.95 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 46 I 7.86 3.83 1.93 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 1.58 0.72 1.13 0.00 0.00 47 D 8.43 4.49 0.00 2.94 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 48 R 8.02 3.71 0.00 1.65 1.78 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.44 0.00 49 W 8.16 4.39 0.00 3.50 3.20 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 50 L 8.56 3.99 0.00 1.91 1.64 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.07 4.19 1.33 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 0.00 0.00 52 E 7.79 3.94 0.00 2.02 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 2.52 2.40 0.00 53 C 7.56 3.82 0.00 2.95 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 54 G 8.39 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 55 S 8.22 4.92 0.00 3.74 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 56 D 7.93 4.53 0.00 2.81 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 57 K 8.32 3.77 0.00 0.79 1.48 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.60 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.06 0.77 7.81 58 A 7.83 4.21 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 59 H 8.16 4.81 0.00 3.29 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.36 4.16 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 0.97 0.00 0.00 1.09 0.00 0.00 61 L 8.93 4.47 0.00 1.72 1.67 0.85 0.61 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 62 D 7.83 5.36 0.00 2.70 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 63 A 9.17 5.06 1.42 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 0.00 0.00 0.00 64 V 8.77 4.41 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 0.11 0.00 0.00 0.87 0.00 0.00 65 I 8.24 4.70 1.59 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.48 0.78 0.00 0.00 66 Y 8.91 5.14 0.00 2.87 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 67 L 8.67 5.14 0.00 1.62 1.59 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.75 4.15 0.00 2.05 2.03 0.00 3.25 0.00 0.00 3.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.65 4.64 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 *71 G 8.61 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 72 D 8.27 4.81 0.00 2.92 2.70 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 0.00 0.00 0.00 0.00 73 Y 8.22 4.07 0.00 2.83 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 74 A 8.18 3.99 1.33 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 0.00 0.00 75 E 7.65 4.09 0.00 2.01 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 2.37 2.29 0.00 *77 N 8.37 4.72 0.00 2.79 2.76 0.00 0.00 6.87 7.95 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 78 G 8.16 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 79 V 7.50 3.72 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 1.01 0.00 0.00 1.03 0.00 0.00 80 W 8.20 4.20 0.00 3.47 3.21 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 81 D 8.85 4.44 0.00 2.71 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 82 A 7.62 4.11 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 83 W 7.46 4.20 0.00 3.15 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 84 V 6.63 2.77 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 -0.06 0.00 0.00 0.81 0.00 0.00 85 A 7.84 3.90 1.02 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 86 A 8.35 4.07 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 87 G 9.12 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 88 R 7.65 4.65 0.00 1.63 1.74 0.00 3.07 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 89 T 7.68 4.16 4.35 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 1.20 0.00 0.00 90 P 0.00 4.77 0.00 2.25 2.38 0.00 4.01 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 91 A 8.96 4.30 1.32 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 92 R 8.61 5.59 0.00 1.81 1.67 0.00 2.21 0.00 0.00 3.60 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.17 0.00 93 A 8.39 4.80 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 94 C 8.43 5.00 0.00 2.85 2.82 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 95 V 8.50 4.54 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 0.56 0.00 0.00 0.91 0.00 0.00 96 E 8.73 4.96 0.00 1.97 1.87 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 2.31 2.41 0.00 97 A 8.93 4.79 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 98 R 8.76 4.01 0.00 1.82 1.88 0.00 3.17 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 99 L 8.11 4.75 0.00 1.96 1.85 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.80 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 0.00 101 R 6.57 4.25 0.00 0.67 1.33 0.00 2.42 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 102 P 0.00 4.22 0.00 1.96 2.07 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 103 E 7.81 4.14 0.00 1.99 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 0.00 2.30 2.35 0.00 104 W 7.78 4.62 0.00 3.50 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 0.00 105 R 9.69 4.61 0.00 1.87 2.01 0.00 3.36 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 106 V 7.57 5.11 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 0.61 0.00 0.00 0.91 0.00 0.00 107 E 9.36 4.73 0.00 2.01 1.86 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 2.27 2.21 0.00 108 I 8.36 5.06 1.86 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 1.17 1.09 0.97 0.00 0.00 109 K 9.38 4.56 0.00 1.97 1.78 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 110 I 8.43 5.02 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 1.00 0.00 0.00 111 T 8.83 4.90 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 0.60 0.00 0.00 112 A 8.99 5.21 1.23 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 0.00 113 V 8.12 4.79 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 0.65 0.00 0.00 0.95 0.00 0.00 114 K 8.38 4.29 0.00 1.78 1.70 0.00 1.82 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.57 7.81 115 R 8.46 4.00 0.00 1.65 1.77 0.00 3.10 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.49 0.00 116 D 8.75 4.40 0.00 2.66 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 0.00 117 A 8.53 4.08 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 * Residues marked with a * may have inaccurate shift predictions.