NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4366 8.1933 115.2893 58.0814 63.8642 174.5499 7 T 3.7208 8.4962 124.3877 66.3168 68.1854 175.4285 8 K 4.0398 8.7870 121.3610 59.1200 32.4386 178.8917 9 K 3.9064 8.0245 118.3803 59.9710 31.9936 179.0020 10 T 4.3293 7.5014 116.5101 66.1956 68.3073 176.6314 11 Q 3.9363 8.1016 119.6514 58.7986 28.7020 178.3579 12 L 3.9531 8.1086 121.4781 58.4223 42.0699 178.7881 13 Q 3.9959 8.2993 117.9894 59.2968 28.6656 179.3109 14 L 4.0427 8.1896 119.8857 57.6820 41.4964 179.3532 15 E 3.9146 8.4550 119.5985 59.5218 29.6298 178.4552 16 H 4.0316 8.5724 116.6480 58.7847 28.8119 177.4293 17 L 3.9478 8.3695 122.6243 58.1860 41.9703 179.0576 18 L 4.0841 8.3104 120.0531 58.8630 40.3004 179.2503 19 L 4.1106 8.2770 120.1546 57.5565 41.5010 179.1895 20 D 4.3683 8.1401 119.0030 57.2624 40.6983 178.7558 21 L 3.9737 7.8887 119.4932 57.8364 41.6666 179.2592 22 Q 3.9734 8.5575 119.8617 59.5394 28.9694 178.2487 23 M 4.0681 8.4157 120.0219 58.4494 31.9959 178.9185 24 I 3.6875 7.7445 119.7331 64.5069 37.3813 177.6813 25 L 3.8885 8.1965 121.3735 58.7038 41.6065 178.4636 26 N 4.4834 8.3434 116.7057 56.7714 39.0085 176.9777 27 G 3.7319 8.1145 106.5566 46.8393 0.0000 174.6948 28 I 4.3935 7.6683 113.4722 60.8220 40.1677 175.9069 29 N 4.6707 8.3642 120.7211 51.1466 37.3705 173.0632 30 N 4.9112 7.5671 118.5851 51.2304 40.1305 175.9393 31 Y 4.3312 8.6626 116.7864 58.8948 38.1908 176.5685 32 K 4.0083 7.7858 119.7061 55.9785 31.9727 175.8220 33 N 4.7903 7.7323 119.1229 50.9499 39.2959 173.1406 34 P 4.4191 0.0000 0.0000 64.6250 32.0421 178.1460 35 K 4.2219 8.1495 117.9455 57.4774 32.2089 177.7790 36 L 3.8779 7.5628 121.1815 58.6743 41.6442 178.5900 37 T 3.8940 7.8980 108.6298 65.2641 68.6307 175.4384 38 R 4.0438 8.0852 120.5613 59.2933 30.1252 178.8856 39 M 4.6063 8.2669 117.7696 57.8605 31.6567 177.7475 40 L 4.4409 7.6856 117.5392 55.1316 41.9755 177.2870 41 T 4.1918 7.3716 109.3116 62.0449 69.7099 175.1577 42 F 4.2813 7.3150 121.6761 57.0414 39.4807 174.8726 43 K 4.2579 8.5105 125.3049 55.7358 32.5974 176.2658 44 F 4.2014 9.7651 125.0556 55.7946 41.7879 174.3488 45 Y 5.0692 8.8251 119.5458 56.4644 40.0567 175.0696 46 M 5.4027 8.6603 119.6792 52.9155 35.6525 172.6720 47 P 4.8117 0.0000 0.0000 62.2114 32.3254 177.1977 48 K 4.1910 8.9135 122.4747 58.9770 32.2197 178.0274 49 K 4.4214 7.5475 117.0574 54.5980 32.2129 173.5572 50 A 4.5140 7.8918 128.2913 52.7162 19.5089 177.1629 51 T 4.8106 8.2670 113.7960 62.3537 73.0026 173.3861 52 E 4.6137 7.1388 120.2094 54.3539 31.6289 176.5973 53 L 4.3828 8.4830 122.8249 58.0322 41.5409 179.4744 54 K 4.1535 8.0605 118.2230 59.9486 32.5611 178.3400 55 H 4.2475 8.5105 117.4312 57.5719 28.5937 176.7718 56 L 3.7833 7.7693 120.1435 56.0483 41.2718 178.6319 57 Q 4.0043 7.8228 120.7924 59.3559 28.8195 177.2502 58 C 4.6491 8.4995 117.0361 59.6381 38.2111 175.5496 59 L 3.8774 7.4554 121.8559 57.8353 41.5883 178.2666 60 E 3.8982 7.9131 119.2733 59.3691 29.4158 178.2964 61 E 4.3770 8.3971 116.0774 57.8461 29.7720 177.2491 62 E 4.7520 8.0128 118.2721 56.0809 30.6573 177.8891 63 L 4.0709 8.1092 121.8269 57.8376 41.5674 179.2717 64 K 4.0399 8.0465 119.1164 59.0146 32.1702 176.9418 65 P 4.1298 0.0000 0.0000 65.1884 31.3712 178.3305 66 L 4.0688 8.0346 119.3506 58.2617 41.8645 178.6660 67 E 3.9804 8.4609 118.4123 59.2194 29.6866 178.3794 68 E 4.0353 8.2849 118.9184 59.3809 29.5317 179.4654 69 V 3.3625 7.7850 118.2510 65.8105 31.5087 178.0389 70 L 4.0205 7.8750 118.4225 57.6420 41.1729 179.0382 71 N 4.5117 7.6652 115.2957 55.5597 38.4976 176.3684 72 L 4.3200 7.7674 118.3793 54.2369 42.1873 176.9519 73 A 3.7176 8.4221 123.0949 53.3267 17.6908 178.5201 *81 R 4.0086 8.7163 125.9426 54.3130 31.4141 173.3230 82 P 4.1513 0.0000 0.0000 66.3600 31.2115 177.7512 83 R 3.9649 8.1627 118.6192 58.9134 29.7629 177.6333 84 D 4.4807 8.5280 118.4956 56.3446 41.0925 178.5982 85 L 3.9396 7.7408 120.4057 58.3653 42.2745 178.9894 86 I 3.7094 8.0751 120.1122 64.1448 36.9580 178.3523 87 S 4.0439 7.6502 113.3216 61.4850 62.2552 175.8560 88 N 4.2934 8.1866 118.9866 56.4590 38.3500 177.1987 89 I 3.6145 7.9803 121.2486 64.6163 37.2705 177.7276 90 N 4.2250 8.7028 117.8949 56.8422 38.5902 176.9943 91 V 3.5291 7.8270 119.2804 66.0784 31.4745 177.8125 92 I 3.6593 7.3892 118.1468 64.5093 37.2899 178.1112 93 V 3.7045 7.7764 118.6571 66.1094 31.3701 177.9516 94 L 3.9999 7.8741 118.5604 58.0329 41.2606 179.4979 95 E 4.2383 8.3545 117.5691 58.8527 29.4066 178.6350 96 L 4.4877 7.7494 117.7768 55.5071 42.1080 177.7423 97 K 4.4456 7.4534 114.2741 56.1476 34.0358 177.0834 98 G 3.8554 8.5342 109.8210 45.6846 0.0000 173.8155 99 S 4.5795 8.4261 112.6084 58.3792 63.4023 174.3457 100 E 4.4853 7.6932 119.9610 54.8100 30.7712 176.0074 101 T 3.9712 8.3245 118.5431 64.4359 68.4213 174.7356 102 T 4.3534 8.4696 123.2778 64.5336 69.3417 174.8063 103 F 4.8988 7.6127 121.2089 57.4746 42.2071 174.2319 104 M 4.1366 7.2368 127.6439 54.2724 30.5254 177.5165 105 C 4.4150 7.5671 121.7430 56.8125 38.0522 173.8323 106 E 4.1334 7.7248 115.7398 55.4562 29.9127 178.6840 107 Y 3.5539 6.8147 117.4916 58.3024 37.3745 169.8114 108 A 4.3441 8.3242 121.5966 52.8331 18.9052 178.0491 109 D 4.5117 8.6068 117.6159 54.9688 41.7323 175.9550 110 E 4.7787 7.5808 117.4038 55.4427 32.1133 175.6106 111 T 4.5918 8.1146 112.0287 61.0070 71.2898 172.9644 112 A 4.9731 8.8659 121.6182 51.2203 23.0616 176.2908 113 T 4.5500 9.6629 111.0842 60.7810 70.4095 176.0157 114 I 3.3018 8.4826 116.0899 64.0957 37.2431 178.4280 115 V 3.5857 7.7546 119.5888 65.7462 31.4052 177.7751 116 E 3.9506 8.0503 118.5007 59.2139 29.5753 178.4919 117 F 4.1691 8.5210 121.0931 61.8180 39.2997 177.3349 118 L 4.0252 8.4472 118.4767 57.7072 41.3539 179.2353 119 N 4.3004 8.1416 116.5908 56.2521 38.4239 177.1114 120 R 3.7034 8.3001 120.2764 59.4590 30.0462 178.6398 121 W 4.4158 7.5474 117.9550 59.7922 29.0005 178.7266 122 I 3.8119 8.2438 120.2158 64.7901 36.5613 178.6734 123 T 3.9292 8.2070 116.7132 66.2305 68.1272 176.5578 124 F 4.1380 8.5713 123.1679 61.5278 39.4818 176.8574 125 C 3.9570 8.5602 116.3335 63.0977 27.9004 176.2013 126 Q 3.9810 8.1584 119.4365 58.9001 28.2443 179.0619 127 S 3.9717 8.0929 114.0006 61.5629 62.4774 176.2238 128 I 3.5968 7.5290 122.5442 64.2278 36.4871 178.3903 129 I 3.6439 7.3775 120.0431 64.4828 37.0672 178.3129 130 S 4.2362 7.5454 113.3182 61.7951 62.9618 176.1016 131 T 3.9812 8.3239 119.8368 65.9696 68.3443 176.7687 132 L 4.5640 8.0309 122.6701 53.9854 40.8407 177.3457 133 T 4.1841 9.6383 120.5251 64.0598 69.7371 174.2354 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 S 8.19 4.44 0.00 3.87 3.80 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 7 T 8.50 3.72 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 8 K 8.79 4.04 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.52 7.81 9 K 8.02 3.91 0.00 1.85 1.85 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 10 T 7.50 4.33 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 1.20 0.00 0.00 11 Q 8.10 3.94 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 12 L 8.11 3.95 0.00 1.81 1.97 0.93 1.01 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 13 Q 8.30 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 14 L 8.19 4.04 0.00 1.90 1.70 0.83 1.14 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 15 E 8.45 3.91 0.00 2.02 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 0.00 2.26 2.33 0.00 16 H 8.57 4.03 0.00 3.40 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.37 3.95 0.00 1.73 1.93 0.88 0.50 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 18 L 8.31 4.08 0.00 1.98 2.08 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.28 4.11 0.00 1.85 1.74 0.91 1.40 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 20 D 8.14 4.37 0.00 2.86 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 21 L 7.89 3.97 0.00 1.91 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.56 3.97 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 23 M 8.42 4.07 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 24 I 7.74 3.69 2.04 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 1.41 1.05 0.91 0.00 0.00 25 L 8.20 3.89 0.00 1.74 1.81 0.94 0.49 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 26 N 8.34 4.48 0.00 2.77 2.97 0.00 0.00 7.34 7.43 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 27 G 8.11 3.73 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 0.00 0.00 0.00 28 I 7.67 4.39 1.88 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 1.75 0.74 0.91 0.00 0.00 29 N 8.36 4.67 0.00 2.65 2.88 0.00 0.00 7.01 7.66 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 30 N 7.57 4.91 0.00 2.89 2.84 0.00 0.00 5.87 7.57 0.00 0.00 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 Y 8.66 4.33 0.00 3.10 3.13 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 0.00 0.00 0.00 32 K 7.79 4.01 0.00 1.60 1.62 0.00 1.38 0.00 0.00 1.18 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.86 7.81 33 N 7.73 4.79 0.00 2.71 2.88 0.00 0.00 6.95 8.52 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 34 P 0.00 4.42 0.00 2.23 2.17 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 35 K 8.15 4.22 0.00 1.95 1.92 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.61 7.81 36 L 7.56 3.88 0.00 1.93 1.70 1.00 0.66 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 37 T 7.90 3.89 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 38 R 8.09 4.04 0.00 2.18 2.11 0.00 3.30 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 1.74 1.71 0.00 39 M 8.27 4.61 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.70 0.00 40 L 7.69 4.44 0.00 1.81 1.71 0.94 0.68 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 41 T 7.37 4.19 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 1.18 0.00 0.00 42 F 7.32 4.28 0.00 3.38 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 43 K 8.51 4.26 0.00 1.37 1.40 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 44 F 9.77 4.20 0.00 2.79 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 45 Y 8.83 5.07 0.00 2.20 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 0.00 0.00 0.00 46 M 8.66 5.40 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 47 P 0.00 4.81 0.00 1.89 2.00 0.00 3.31 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.37 0.00 48 K 8.91 4.19 0.00 1.76 1.91 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.26 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.58 7.81 49 K 7.55 4.42 0.00 1.81 1.77 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 50 A 7.89 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.27 4.81 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 1.28 0.00 0.00 52 E 7.14 4.61 0.00 1.79 1.78 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 2.29 2.21 0.00 53 L 8.48 4.38 0.00 1.80 1.73 0.94 0.31 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 54 K 8.06 4.15 0.00 2.09 2.10 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 55 H 8.51 4.25 0.00 3.12 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.77 3.78 0.00 1.85 1.58 1.07 0.32 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 57 Q 7.82 4.00 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.81 0.00 58 C 8.50 4.65 0.00 3.56 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 59 L 7.46 3.88 0.00 0.27 0.88 -0.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.91 3.90 0.00 2.04 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 2.51 0.00 61 E 8.40 4.38 0.00 2.32 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 0.00 2.42 2.77 0.00 62 E 8.01 4.75 0.00 2.43 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 0.00 2.43 2.88 0.00 63 L 8.11 4.07 0.00 1.72 1.74 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.05 4.04 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 65 P 0.00 4.13 0.00 2.24 1.69 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 66 L 8.03 4.07 0.00 2.04 1.98 0.91 0.99 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 67 E 8.46 3.98 0.00 2.07 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 0.00 2.32 2.35 0.00 68 E 8.28 4.04 0.00 2.16 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 2.27 2.43 0.00 69 V 7.79 3.36 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 1.06 0.00 0.00 1.00 0.00 0.00 70 L 7.88 4.02 0.00 1.97 1.70 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.67 4.51 0.00 2.80 2.87 0.00 0.00 7.03 9.20 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 72 L 7.77 4.32 0.00 1.81 1.76 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.42 3.72 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 R 8.72 4.01 0.00 1.88 1.90 0.00 3.22 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 82 P 0.00 4.15 0.00 2.29 2.31 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 83 R 8.16 3.96 0.00 1.86 1.99 0.00 3.33 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 84 D 8.53 4.48 0.00 2.85 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 85 L 7.74 3.94 0.00 1.86 1.66 0.92 1.02 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 86 I 8.08 3.71 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.80 0.96 0.00 0.00 87 S 7.65 4.04 0.00 4.27 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 88 N 8.19 4.29 0.00 3.01 2.86 0.00 0.00 7.10 6.99 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 89 I 7.98 3.61 2.02 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 1.40 1.11 0.86 0.00 0.00 90 N 8.70 4.22 0.00 2.84 2.97 0.00 0.00 6.96 7.70 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 91 V 7.83 3.53 2.18 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 1.04 0.00 0.00 0.96 0.00 0.00 92 I 7.39 3.66 1.97 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 1.39 0.89 0.94 0.00 0.00 93 V 7.78 3.70 2.19 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 0.95 0.00 0.00 0.86 0.00 0.00 94 L 7.87 4.00 0.00 1.92 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.35 4.24 0.00 2.17 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 2.34 0.00 96 L 7.75 4.49 0.00 1.79 1.75 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.45 4.45 0.00 1.80 1.98 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.65 7.81 98 G 8.53 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 99 S 8.43 4.58 0.00 3.87 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 0.00 100 E 7.69 4.49 0.00 1.94 1.88 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 2.27 2.38 0.00 101 T 8.32 3.97 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 1.26 0.00 0.00 102 T 8.47 4.35 4.45 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 1.29 0.00 0.00 103 F 7.61 4.90 0.00 2.87 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 0.00 104 M 7.24 4.14 0.00 1.78 1.58 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 105 C 7.57 4.42 0.00 2.46 1.78 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 0.00 106 E 7.72 4.13 0.00 2.01 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 2.16 2.40 0.00 107 Y 6.81 3.55 0.00 3.14 3.35 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 0.00 108 A 8.32 4.34 1.54 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 0.00 109 D 8.61 4.51 0.00 2.70 2.74 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 0.00 110 E 7.58 4.78 0.00 1.86 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 2.29 2.38 0.00 111 T 8.11 4.59 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 1.07 0.00 0.00 112 A 8.87 4.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.66 4.55 4.29 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 1.29 0.00 0.00 114 I 8.48 3.30 1.75 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 1.49 0.83 0.19 0.00 0.00 115 V 7.75 3.59 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 1.08 0.00 0.00 1.00 0.00 0.00 116 E 8.05 3.95 0.00 2.18 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 2.34 2.34 0.00 117 F 8.52 4.17 0.00 3.09 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 0.00 118 L 8.45 4.03 0.00 1.81 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.14 4.30 0.00 3.01 2.85 0.00 0.00 6.61 7.78 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 0.00 120 R 8.30 3.70 0.00 1.76 1.50 0.00 2.95 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.12 0.00 121 W 7.55 4.42 0.00 3.26 3.07 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 0.00 122 I 8.24 3.81 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.94 0.00 0.00 123 T 8.21 3.93 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 1.21 0.00 0.00 124 F 8.57 4.14 0.00 3.05 3.34 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 0.00 125 C 8.56 3.96 0.00 3.24 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 0.00 126 Q 8.16 3.98 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 127 S 8.09 3.97 0.00 3.97 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 0.00 128 I 7.53 3.60 1.55 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 1.04 -0.36 0.73 0.00 0.00 129 I 7.38 3.64 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.88 0.00 0.00 130 S 7.55 4.24 0.00 3.95 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 0.00 131 T 8.32 3.98 4.37 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 1.16 0.00 0.00 132 L 8.03 4.56 0.00 1.77 1.66 0.88 0.64 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 0.00 133 T 9.64 4.18 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.