NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.6855 8.2827 119.2064 53.6094 41.0691 176.1366 8 L 3.9169 7.6999 118.8087 57.0508 42.0331 177.0788 9 N 4.5154 8.3184 116.7237 56.2712 38.8965 176.8242 10 V 3.5944 7.6144 119.2411 65.7542 31.7330 177.5025 11 L 4.0500 7.6830 119.8569 58.8477 41.8461 177.9888 12 D 4.4230 8.0882 117.3525 58.0748 40.6796 178.7570 13 A 4.1592 8.6803 120.1888 55.5159 18.5064 179.2397 14 A 3.9691 8.9191 120.0905 55.6284 18.4913 179.5632 15 F 4.1676 9.0339 118.8937 61.5607 39.4519 176.8938 16 Y 4.1991 8.5400 119.4198 60.7541 38.5042 177.8804 17 S 3.8453 8.3810 114.5598 61.0932 62.5393 175.8313 18 L 3.9635 8.2545 123.5942 57.9316 41.7105 178.6778 19 E 3.7076 7.8296 119.3005 59.3295 29.5989 178.4556 20 Q 3.8458 7.6998 118.0793 59.6076 28.7247 179.6232 21 T 3.8619 7.5969 116.4189 66.5099 68.4746 177.0114 22 V 3.6144 7.6521 120.0770 65.8280 31.6820 177.8639 23 V 3.5468 7.9075 118.3556 66.4689 31.0335 178.0377 24 Q 3.9606 7.7621 115.7930 59.1306 28.6308 178.6516 25 I 3.8632 7.6015 119.6495 64.3185 37.1183 178.0614 26 S 4.2928 8.4268 115.6587 61.1281 64.2204 175.2897 27 D 4.7697 7.9190 121.6467 54.2543 37.5534 176.4896 28 R 3.9485 8.0011 123.3696 59.2894 30.4517 177.4139 29 N 4.3244 8.2043 114.4181 56.2858 38.7456 176.8530 30 W 4.1419 8.4351 127.6197 60.2810 30.9737 176.9406 31 F 4.0869 8.5893 119.8779 61.2422 39.2645 178.6293 32 D 4.3034 7.7956 119.0273 53.5646 39.7061 176.8219 *34 Q 3.7637 7.8563 116.3923 54.4531 30.2716 174.6167 35 P 4.2145 0.0000 0.0000 63.0636 33.1711 177.1312 36 S 4.0546 8.6318 113.6100 61.9353 62.0773 176.7722 37 I 3.6104 7.5231 120.4282 64.1087 37.8388 177.7901 38 V 3.6557 7.6668 118.5955 65.9747 31.2833 177.7501 39 Q 3.5234 7.7777 117.9783 58.9234 28.6864 178.5244 40 D 4.5011 7.9427 119.1539 55.9931 39.5609 178.7357 41 T 3.9173 8.3724 118.2988 66.4550 68.4577 176.5329 42 L 4.0620 8.2490 121.2559 58.0399 41.7239 179.5117 43 I 3.4229 7.7672 119.2482 64.4484 36.9682 178.3448 44 A 4.1244 7.9890 121.4050 54.9353 18.1046 179.8931 45 G 3.5914 8.5611 104.4853 47.8368 0.0000 175.4071 46 A 4.1206 8.1781 123.6023 55.2041 18.3365 179.5789 47 I 3.6938 7.8486 117.8471 64.7081 37.1970 178.1725 48 Q 3.7177 8.4095 120.5351 59.3898 28.7378 178.9759 49 K 4.4534 8.3331 119.4537 59.3089 31.9794 179.0729 50 F 4.2640 8.8261 121.4121 61.3613 39.2589 176.6955 51 E 3.5076 8.1456 118.3167 59.4114 29.1974 179.3601 52 F 4.2889 7.2397 116.8710 60.6697 39.0224 177.8185 53 V 3.8128 8.1473 117.7237 66.4757 31.2244 177.2981 54 Y 4.1784 8.5906 120.2849 60.6201 38.3933 177.9179 55 E 4.1258 8.4686 120.1742 59.3620 29.6816 178.5007 56 L 4.0658 8.5678 119.4101 58.1276 42.1942 178.6419 57 S 4.4057 8.5059 114.7323 61.7331 62.9870 176.2319 58 L 4.1323 7.4558 119.8252 57.3492 42.8549 178.8060 59 K 4.1183 7.6097 119.1900 56.5394 28.6664 176.8720 *62 K 4.4468 7.7072 124.0697 56.2401 34.6328 177.4267 63 R 4.0323 8.8958 119.3556 59.8142 29.8804 178.2185 64 Q 3.9944 7.9021 118.6064 58.7687 28.9027 176.9578 65 L 4.1369 7.2515 116.6858 55.3870 41.6765 177.7548 66 Q 4.2444 7.7486 120.5318 58.2929 29.3364 177.3428 67 Q 3.9734 8.0073 119.0834 59.2990 28.9147 178.7652 68 D 4.7965 7.8275 117.9898 55.8821 41.7748 176.7643 69 A 4.5197 8.0415 122.6290 51.1904 19.9159 176.3141 70 I 5.0382 7.9767 118.4255 62.4986 37.3656 177.2906 71 N 4.6361 7.9282 118.5647 55.6629 38.9539 175.3637 72 T 4.7921 7.6478 114.7490 62.3282 69.9330 174.7413 73 D 4.5056 8.5556 123.3367 57.7868 41.7198 179.3333 74 D 4.8536 7.9099 119.6888 54.0708 39.9361 177.6306 75 I 4.1512 7.7420 114.0781 62.2194 37.3415 177.8210 76 G 3.8928 8.4685 110.0345 44.2344 0.0000 175.3482 77 A 4.5081 7.5258 114.6071 53.0520 22.6498 175.9083 78 Y 4.6301 7.8963 114.9408 56.5007 40.0545 176.6191 79 G 4.0477 8.6888 109.5559 43.7484 0.0000 174.4091 80 F 4.1466 8.9516 123.8345 61.3402 39.2592 177.2913 81 K 3.6969 8.3591 118.2933 60.5906 31.8847 177.1979 82 D 4.3204 8.4753 117.7086 57.0810 40.3630 178.8053 83 I 3.2512 8.2747 122.8657 64.7012 37.7414 177.6160 84 L 3.6816 7.5745 119.2992 58.1138 41.5006 179.6235 85 R 3.7681 7.9282 117.2730 59.7910 29.7376 178.6156 86 E 3.7807 8.1423 117.9505 58.4533 29.4278 178.3636 87 A 3.7437 7.8971 120.9979 54.2513 18.9163 178.8121 88 L 4.1329 7.6219 116.9517 57.3927 42.3496 178.7805 89 R 4.2068 7.8244 117.7238 58.9379 30.1291 177.2632 90 F 4.5584 7.8115 114.3810 56.4116 39.0966 175.8278 91 G 4.1342 7.8977 107.8313 46.7106 0.0000 175.1248 92 L 4.2073 8.3987 120.8637 55.5976 42.5391 177.4921 93 I 4.8490 7.5516 117.0210 59.5044 40.6752 175.3159 94 G 3.6019 8.5294 111.2027 47.0996 0.0000 173.0853 95 D 4.7972 7.5315 117.8876 51.9149 44.7283 175.4415 *97 S 4.4421 8.3422 113.1362 57.9949 64.5779 176.2804 98 K 3.7433 8.3233 121.3684 59.3929 31.6698 179.2493 99 W 3.7214 8.1509 118.5360 59.3691 29.0607 178.6559 100 V 4.0143 7.9691 117.7366 65.7057 30.7438 177.3479 101 A 4.4970 7.5728 119.4307 54.3660 18.6279 178.7343 102 Y 4.4481 7.5630 114.4891 60.8118 37.9551 178.5656 103 R 4.3961 8.6012 121.8384 58.7799 30.8492 178.3398 104 D 4.6517 7.7308 117.9068 54.1483 39.2990 177.0739 *106 R 4.1512 7.8016 120.8679 56.4180 32.0267 176.2870 107 N 4.5036 7.8667 113.1213 54.5723 38.7074 175.4754 108 I 4.2115 7.4377 111.0426 60.5368 38.1847 176.8172 109 T 4.2481 7.6737 110.0963 62.3781 69.1490 176.7572 110 S 4.0344 7.6674 116.3077 60.6891 63.5473 174.4681 111 H 3.2054 7.0312 115.5706 54.4276 28.3287 176.6549 112 T 3.7107 6.9411 119.5834 65.9915 68.0110 175.7944 113 Y 4.0605 7.0073 119.5417 59.5835 38.0404 175.4881 114 D 4.6901 8.3433 120.4815 53.4660 40.5869 176.3461 115 Q 3.9972 8.8985 126.6654 59.3126 29.0577 180.2784 116 E 3.9968 8.2525 115.2849 59.4141 29.8916 179.2176 117 K 4.1058 8.0452 117.5777 58.8266 31.9053 178.1985 118 A 4.0977 7.8049 120.5895 52.4934 18.5006 179.2664 *120 A 4.1639 7.9195 123.4563 53.9678 21.0018 180.0434 121 V 3.5637 7.7821 114.1695 66.1121 31.5303 177.3765 122 Y 3.8183 8.2564 119.4053 60.8183 38.4580 178.0336 123 A 3.9598 8.1046 118.8500 54.1894 18.7150 178.0896 124 Q 4.3627 7.5281 114.9709 55.8033 29.2749 177.2771 125 I 3.6337 7.5110 123.1833 63.7236 37.0829 177.5084 126 D 4.1706 7.7430 118.6491 57.5075 41.0222 178.1744 127 D 4.3975 7.8464 117.6766 57.4009 41.4417 177.7280 128 F 3.7324 7.9394 122.4705 60.4114 39.0810 176.8228 129 L 4.0508 8.4167 120.9869 57.0790 41.3157 179.7222 130 I 3.7631 7.6110 119.0345 64.4326 37.1845 178.1274 131 E 4.0799 8.1393 119.1746 59.8200 29.1582 178.8896 132 S 4.0958 7.7003 113.9678 61.4163 62.4982 176.3511 133 S 3.3600 7.9279 117.8276 61.0916 62.5866 175.8058 134 F 4.5324 8.7466 123.2426 60.9033 38.9550 176.6311 135 L 4.0080 8.6886 120.2060 57.7542 42.1616 179.3464 136 L 3.8346 7.8350 119.7855 58.7033 42.0253 178.1747 137 E 3.7998 8.4007 118.5416 59.1348 29.0782 179.0895 138 Q 3.9094 7.4727 118.2521 59.4531 29.0614 179.6951 139 L 4.0472 8.0199 118.4035 57.5138 41.6756 179.0775 140 R 3.9891 7.9570 118.2718 59.6032 30.1027 176.7914 141 Q 4.2432 7.8569 120.5098 56.1888 28.8414 176.0017 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 7 N 8.28 4.69 0.00 2.82 2.88 0.00 0.00 6.72 5.78 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 8 L 7.70 3.92 0.00 1.87 1.64 0.90 0.36 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 9 N 8.32 4.52 0.00 2.86 2.86 0.00 0.00 6.80 7.68 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 10 V 7.61 3.59 2.24 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 1.05 0.00 0.00 0.93 0.00 0.00 11 L 7.68 4.05 0.00 1.85 1.85 1.08 1.19 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 12 D 8.09 4.42 0.00 3.01 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 13 A 8.68 4.16 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 A 8.92 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 15 F 9.03 4.17 0.00 3.17 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 16 Y 8.54 4.20 0.00 3.25 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 17 S 8.38 3.85 0.00 3.97 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 18 L 8.25 3.96 0.00 1.92 1.72 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.83 3.71 0.00 1.58 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 2.25 2.24 0.00 20 Q 7.70 3.85 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.82 2.05 0.00 21 T 7.60 3.86 4.43 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 1.29 0.00 0.00 22 V 7.65 3.61 2.15 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 0.99 0.00 0.00 0.95 0.00 0.00 23 V 7.91 3.55 2.28 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 0.95 0.00 0.00 0.94 0.00 0.00 24 Q 7.76 3.96 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 25 I 7.60 3.86 1.81 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 1.61 0.67 -0.18 0.00 0.00 26 S 8.43 4.29 0.00 4.03 3.95 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 0.00 0.00 0.00 27 D 7.92 4.77 0.00 2.91 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 28 R 8.00 3.95 0.00 1.91 2.05 0.00 3.48 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 29 N 8.20 4.32 0.00 2.78 2.96 0.00 0.00 6.83 7.68 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 30 W 8.44 4.14 0.00 3.48 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 31 F 8.59 4.09 0.00 3.26 3.30 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 32 D 7.80 4.30 0.00 2.68 2.60 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 *34 Q 7.86 3.76 0.00 1.51 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 1.28 1.16 0.00 35 P 0.00 4.21 0.00 2.16 2.10 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 36 S 8.63 4.05 0.00 3.82 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 37 I 7.52 3.61 1.83 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 1.50 0.91 0.87 0.00 0.00 38 V 7.67 3.66 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 1.09 0.00 0.00 0.89 0.00 0.00 39 Q 7.78 3.52 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 1.16 2.06 0.00 40 D 7.94 4.50 0.00 2.93 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 41 T 8.37 3.92 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 1.24 0.00 0.00 42 L 8.25 4.06 0.00 2.13 1.94 1.25 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.77 3.42 2.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.11 0.78 0.00 0.00 44 A 7.99 4.12 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 45 G 8.56 3.59 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 0.00 46 A 8.18 4.12 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 0.00 0.00 47 I 7.85 3.69 2.04 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 1.42 0.90 0.94 0.00 0.00 48 Q 8.41 3.72 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 49 K 8.33 4.45 0.00 2.12 2.02 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.76 7.81 50 F 8.83 4.26 0.00 2.87 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 51 E 8.15 3.51 0.00 1.79 1.60 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 2.05 2.38 0.00 52 F 7.24 4.29 0.00 3.30 3.05 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 53 V 8.15 3.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 1.26 0.00 0.00 54 Y 8.59 4.18 0.00 1.77 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 55 E 8.47 4.13 0.00 2.38 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 2.38 2.45 0.00 56 L 8.57 4.07 0.00 1.92 1.82 0.99 1.33 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 57 S 8.51 4.41 0.00 4.32 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 0.00 58 L 7.46 4.13 0.00 1.83 1.83 1.08 0.96 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 59 K 7.61 4.12 0.00 1.98 1.81 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 *62 K 7.71 4.45 0.00 1.91 2.00 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 R 8.90 4.03 0.00 1.84 1.90 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 64 Q 7.90 3.99 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 65 L 7.25 4.14 0.00 1.60 1.35 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.75 4.24 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 67 Q 8.01 3.97 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 68 D 7.83 4.80 0.00 2.71 2.95 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 0.00 0.00 0.00 69 A 8.04 4.52 1.27 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 70 I 7.98 5.04 1.88 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 1.43 1.16 0.91 0.00 0.00 71 N 7.93 4.64 0.00 2.71 2.89 0.00 0.00 6.77 7.54 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 72 T 7.65 4.79 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 1.25 0.00 0.00 73 D 8.56 4.51 0.00 2.74 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 74 D 7.91 4.85 0.00 2.68 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 75 I 7.74 4.15 1.92 0.00 0.00 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 1.65 0.83 1.28 0.00 0.00 76 G 8.47 3.89 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 0.00 0.00 0.00 77 A 7.53 4.51 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 78 Y 7.90 4.63 0.00 3.14 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 79 G 8.69 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 80 F 8.95 4.15 0.00 3.20 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 K 8.36 3.70 0.00 1.95 1.85 0.00 1.86 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.64 7.81 82 D 8.48 4.32 0.00 3.17 2.85 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 83 I 8.27 3.25 1.65 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 1.73 0.74 0.72 0.00 0.00 84 L 7.57 3.68 0.00 1.57 1.46 0.37 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.93 3.77 0.00 1.91 1.95 0.00 3.13 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 86 E 8.14 3.78 0.00 1.62 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 1.76 1.63 0.00 87 A 7.90 3.74 1.04 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 88 L 7.62 4.13 0.00 1.56 1.81 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.82 4.21 0.00 2.32 2.47 0.00 3.37 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 90 F 7.81 4.56 0.00 2.65 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 91 G 7.90 4.13 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 0.00 0.00 0.00 92 L 8.40 4.21 0.00 1.69 1.56 0.72 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 93 I 7.55 4.85 1.72 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.19 0.89 0.00 0.00 94 G 8.53 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 95 D 7.53 4.80 0.00 2.65 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 *97 S 8.34 4.44 0.00 4.07 4.16 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 98 K 8.32 3.74 0.00 2.12 1.66 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.92 7.81 99 W 8.15 3.72 0.00 3.35 3.53 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 0.00 100 V 7.97 4.01 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 1.17 0.00 0.00 1.03 0.00 0.00 101 A 7.57 4.50 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 0.00 102 Y 7.56 4.45 0.00 3.69 3.39 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 0.00 103 R 8.60 4.40 0.00 2.22 2.37 0.00 3.43 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.00 104 D 7.73 4.65 0.00 2.73 2.66 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 *106 R 7.80 4.15 0.00 0.94 1.40 0.00 2.99 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.43 0.00 107 N 7.87 4.50 0.00 2.72 2.78 0.00 0.00 6.82 7.22 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 0.00 108 I 7.44 4.21 1.82 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 1.52 0.88 0.94 0.00 0.00 109 T 7.67 4.25 4.21 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 1.21 0.00 0.00 110 S 7.67 4.03 0.00 3.93 3.90 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 0.00 0.00 0.00 111 H 7.03 3.21 0.00 3.00 3.10 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 6.94 3.71 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 1.15 0.00 0.00 113 Y 7.01 4.06 0.00 3.17 3.30 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 0.00 114 D 8.34 4.69 0.00 3.05 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 0.00 115 Q 8.90 4.00 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 116 E 8.25 4.00 0.00 1.95 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 2.32 2.41 0.00 117 K 8.05 4.11 0.00 2.02 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.74 7.81 118 A 7.80 4.10 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 *120 A 7.92 4.16 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 0.00 121 V 7.78 3.56 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 0.77 0.00 0.00 0.89 0.00 0.00 122 Y 8.26 3.82 0.00 3.12 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 0.00 123 A 8.10 3.96 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 0.00 124 Q 7.53 4.36 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 125 I 7.51 3.63 1.37 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.53 0.90 0.00 0.00 126 D 7.74 4.17 0.00 2.52 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 0.00 127 D 7.85 4.40 0.00 2.73 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 0.00 128 F 7.94 3.73 0.00 2.20 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 0.00 129 L 8.42 4.05 0.00 1.87 1.74 0.90 0.77 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 0.00 130 I 7.61 3.76 1.86 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 1.53 0.63 0.92 0.00 0.00 131 E 8.14 4.08 0.00 2.00 2.44 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 2.50 2.55 0.00 132 S 7.70 4.10 0.00 3.98 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 0.00 133 S 7.93 3.36 0.00 4.11 4.11 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 0.00 134 F 8.75 4.53 0.00 3.20 3.28 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 0.00 135 L 8.69 4.01 0.00 1.99 2.07 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.84 3.83 0.00 1.55 1.46 0.65 0.75 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 0.00 137 E 8.40 3.80 0.00 1.82 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 2.26 2.50 0.00 138 Q 7.47 3.91 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.07 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 139 L 8.02 4.05 0.00 1.73 1.67 0.85 0.93 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 0.00 140 R 7.96 3.99 0.00 1.87 2.13 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 141 Q 7.86 4.24 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.32 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.