NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6792 8.2233 120.4833 54.2268 42.9755 173.6664 3 I 4.5442 8.3526 123.5718 59.2897 38.9073 173.4343 4 R 4.5045 9.5809 127.8873 54.5951 32.9189 174.4356 5 Y 4.9636 8.3061 120.2739 56.1757 40.7653 175.0508 6 F 4.8520 9.4205 122.4885 55.9943 42.9952 175.5655 7 G 4.4862 8.9714 110.4581 46.9675 0.0000 173.5529 8 T 3.9753 7.8078 113.7374 63.3144 69.1972 174.7625 9 T 4.5572 8.5327 115.5992 58.6076 71.5691 173.2173 10 P 3.8886 0.0000 0.0000 64.7068 31.4492 177.4566 11 R 4.3924 7.6579 117.5396 57.5061 31.4002 175.0466 12 Y 4.7843 6.8383 113.2373 56.2738 40.9337 172.7672 13 S 5.2950 8.3534 115.8341 55.9982 65.0637 174.7435 14 E 4.0636 8.7019 122.0910 59.0422 30.3350 176.8465 15 A 5.1417 7.6355 119.4697 50.4985 23.1241 175.3197 16 V 4.9019 9.2653 121.1003 61.0261 35.0591 174.4801 17 G 4.7209 9.2771 114.4350 44.4836 0.0000 171.7595 18 A 5.0668 9.1314 125.2321 50.2320 22.8195 175.8013 19 N 3.9878 9.8446 121.2874 54.5835 37.5033 174.9235 20 G 4.0881 8.0011 106.2804 45.6764 0.0000 172.7846 21 L 4.8173 7.8914 120.2267 54.1403 43.6617 175.9833 22 I 5.0105 8.7621 122.5401 59.5964 41.0287 174.2967 23 F 5.0177 9.6954 125.9626 55.7150 41.2850 174.7310 24 L 4.8765 8.4802 124.3455 53.4954 42.8842 177.2344 25 S 4.1911 8.5483 118.7013 58.3989 63.6350 176.2615 26 G 4.4695 8.0990 108.2861 44.9129 0.0000 173.1666 *28 V 3.4391 7.9876 111.4626 60.0686 32.4958 173.6525 29 P 4.3953 0.0000 0.0000 62.7885 31.6524 176.4393 30 E 4.6390 9.5161 120.7574 56.5237 31.2517 175.8638 31 N 4.9466 7.9417 114.2163 52.4607 42.7228 174.9613 32 G 4.1534 9.0714 104.8312 46.1109 0.0000 172.9230 33 E 4.5121 9.0683 117.3868 57.3066 32.2102 178.0329 34 T 4.3018 7.8691 108.0063 60.8339 71.2882 175.2256 35 A 4.0030 8.5581 123.3150 55.3173 18.4867 179.9456 36 A 3.9351 8.5547 119.3870 55.4043 18.5023 179.8054 37 E 3.9364 7.9587 117.1716 59.7425 29.5834 179.6865 38 Q 4.1709 8.2628 118.1123 59.0709 28.7103 178.7806 39 T 3.8032 8.1707 116.8123 66.4444 68.5089 176.3829 40 A 3.8840 7.7929 122.1398 55.2436 18.4664 179.1094 41 D 4.2280 8.0285 116.4662 57.5038 41.2687 178.6884 42 V 3.5015 7.7829 118.6419 66.0319 31.6427 178.0796 43 L 3.4267 7.8791 118.2706 57.0413 41.1958 179.3549 44 A 4.0391 7.8396 121.2357 54.9226 18.2685 179.5100 45 Q 3.9677 8.0686 116.5885 59.3760 28.8266 179.1776 46 I 3.8450 7.8628 120.6120 64.5699 37.1363 178.1337 47 D 4.5136 8.1442 119.3887 57.5959 40.6877 179.2215 48 R 3.8248 7.9989 118.3765 59.0146 30.0583 179.2393 49 W 4.1601 8.3954 119.1099 59.7181 29.0242 178.5245 50 L 4.0181 8.5677 119.2181 57.7675 41.1520 179.4881 51 A 4.0485 8.0973 120.5907 55.1443 18.1016 179.3287 52 E 3.9173 7.9505 115.9637 59.7968 29.6317 178.6864 53 C 4.0863 7.6515 113.4094 58.9232 28.4359 173.7065 54 G 3.7994 8.1109 108.6585 46.9352 0.0000 173.5085 55 S 4.9712 8.2851 115.0387 56.9545 65.7226 171.1561 56 D 4.5694 7.9155 118.2648 52.4071 41.1961 176.1112 57 K 3.8562 8.3766 117.3030 59.4949 32.4025 178.1694 58 A 4.2148 7.7981 120.4662 53.3277 18.6314 177.1657 59 H 4.8012 8.2752 112.9404 55.1226 29.8890 173.1797 60 V 4.1445 7.3062 119.0195 62.7210 32.1978 175.7413 61 L 4.4166 8.9021 127.4325 56.8610 43.1710 176.3340 62 D 5.3042 7.8426 116.4678 52.7699 45.2933 174.0451 63 A 5.0186 8.9577 126.3772 50.5958 22.7434 174.8229 64 V 4.4330 8.6402 123.4187 61.4473 33.7639 174.5350 65 I 4.6488 8.5425 129.2667 59.8155 39.3761 174.0354 66 Y 5.2454 9.0633 125.9016 56.3749 40.0805 174.7291 67 L 5.0861 8.6037 124.3381 52.7760 43.9375 177.4255 68 R 4.0746 8.7243 124.7430 59.4696 30.7595 175.2638 69 D 4.9514 7.0647 115.4189 52.1145 43.9196 174.7130 *71 G 3.8951 8.5744 105.1160 45.6072 0.0000 173.1309 72 D 4.7815 8.2196 119.1890 54.2319 41.2232 177.4271 73 Y 4.1117 8.3301 121.3927 60.9092 39.0054 177.5827 74 A 3.9743 8.1639 121.9176 55.2360 18.4749 179.4348 75 E 3.8756 7.7197 113.4971 57.0724 29.2153 178.1029 *77 N 4.4973 8.3397 116.9492 52.7281 40.5482 176.8503 78 G 3.7043 8.0803 104.8411 47.9257 0.0000 175.8674 79 V 3.7695 7.4540 120.0982 65.1861 31.6257 177.7750 80 W 4.2787 8.2547 127.6479 60.8580 30.3518 177.3449 81 D 4.4399 8.8186 117.3127 57.5546 40.3821 178.6257 82 A 4.1155 7.6112 118.4771 54.1844 18.3810 178.9960 83 W 4.2382 7.4912 126.5403 59.0790 31.4242 177.4451 84 V 2.7321 6.6074 110.4122 61.0042 31.7486 175.6168 85 A 3.8491 7.7666 125.5401 51.0667 18.7478 177.1296 86 A 4.0695 8.3884 126.6206 53.9265 18.6762 177.9563 87 G 4.0237 8.9558 110.4114 45.8342 0.0000 173.6083 88 R 4.6580 7.6657 118.6495 55.7657 31.2672 175.8130 89 T 4.0364 7.9436 107.5879 60.9303 69.6845 172.2602 90 P 4.8094 0.0000 0.0000 61.5373 33.5239 175.1670 91 A 4.2991 8.6368 121.6351 52.3834 19.3462 176.7397 92 R 5.1140 8.3423 119.2869 54.8896 33.7373 174.0691 93 A 4.6791 8.7263 125.6282 50.3814 23.0723 174.5303 94 C 5.0565 8.5817 120.9049 57.7438 34.2429 173.3861 95 V 4.5382 8.5036 118.4248 59.5072 36.2709 174.1618 96 E 5.1179 8.6396 122.7907 55.1108 30.8199 174.5965 97 A 4.8099 8.6905 128.5655 50.3339 22.4134 176.1806 98 R 4.0066 8.7768 121.2764 56.2920 29.7822 176.1456 99 L 4.7093 8.0863 120.1164 52.5995 44.4188 177.2742 100 A 4.1380 8.8082 121.4847 54.4968 18.6600 178.0530 101 R 4.2640 6.4112 111.6888 53.3595 32.9293 175.1938 102 P 4.2923 0.0000 0.0000 65.0516 31.5140 177.4982 103 E 4.1304 7.7766 114.5925 57.4432 30.1055 176.6441 104 W 4.6768 7.7966 120.9506 56.7881 29.3183 176.1076 105 R 4.6883 9.6199 123.3625 56.8307 31.1774 176.6519 106 V 5.0685 7.5924 116.9420 60.4554 34.6483 173.5282 107 E 4.6668 9.4937 123.5881 54.8449 33.3719 173.6504 108 I 4.9320 8.4453 126.8395 59.3348 40.2737 174.5873 109 K 4.5067 9.2595 129.0694 54.9349 34.0966 174.6392 110 I 5.0348 8.3359 128.4040 60.0686 39.9133 174.7898 111 T 4.9064 8.8060 122.1029 61.8726 71.7824 173.2588 112 A 5.2887 8.8794 126.9283 50.6636 23.4260 174.6097 113 V 4.8357 8.1396 116.4161 59.6686 34.3372 176.2253 114 K 4.1315 9.2442 123.2388 56.5434 32.4656 177.3752 115 R 4.0390 8.0863 122.8457 56.2039 30.9917 176.7507 116 D 4.4883 8.4852 120.1678 54.7768 40.9846 176.5478 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 8.22 4.68 0.00 2.70 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 3 I 8.35 4.54 1.75 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 1.26 0.64 0.21 0.00 0.00 4 R 9.58 4.50 0.00 1.75 1.36 0.00 3.11 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 5 Y 8.31 4.96 0.00 2.72 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 6 F 9.42 4.85 0.00 3.06 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 7 G 8.97 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.98 4.20 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 1.08 0.00 0.00 9 T 8.53 4.56 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 0.68 0.00 0.00 10 P 0.00 3.89 0.00 2.02 2.12 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 11 R 7.66 4.39 0.00 1.79 1.99 0.00 3.51 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 12 Y 6.84 4.78 0.00 3.05 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 13 S 8.35 5.30 0.00 3.93 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 14 E 8.70 4.06 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 2.42 2.16 0.00 15 A 7.64 5.14 1.13 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 16 V 9.27 4.90 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 0.52 0.00 0.00 1.03 0.00 0.00 17 G 9.28 4.72 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 0.00 0.00 0.00 18 A 9.13 5.07 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 19 N 9.84 3.99 0.00 2.79 2.84 0.00 0.00 7.19 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 8.00 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 21 L 7.89 4.82 0.00 1.91 1.56 1.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.76 5.01 1.81 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 1.22 0.72 0.88 0.00 0.00 23 F 9.70 5.02 0.00 2.86 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 24 L 8.48 4.88 0.00 1.55 1.53 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.55 4.19 0.00 3.54 3.51 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 26 G 8.10 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.44 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 0.29 0.00 0.00 0.14 0.00 0.00 29 P 0.00 4.40 0.00 1.97 1.90 0.00 2.32 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 30 E 9.52 4.64 0.00 1.99 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 0.00 2.26 2.19 0.00 31 N 7.94 4.95 0.00 2.82 2.67 0.00 0.00 7.15 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 32 G 9.07 4.15 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 0.00 33 E 9.07 4.51 0.00 1.93 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 2.23 0.00 34 T 7.87 4.30 4.42 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 1.23 0.00 0.00 35 A 8.56 4.00 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 36 A 8.55 3.94 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 37 E 7.96 3.94 0.00 2.12 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 2.34 2.36 0.00 38 Q 8.26 4.17 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 39 T 8.17 3.80 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 1.22 0.00 0.00 40 A 7.79 3.88 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 41 D 8.03 4.23 0.00 2.79 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 42 V 7.78 3.50 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 0.87 0.00 0.00 0.86 0.00 0.00 43 L 7.88 3.43 0.00 1.31 0.17 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.84 4.04 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 45 Q 8.07 3.97 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 46 I 7.86 3.85 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 1.08 0.00 0.00 47 D 8.14 4.51 0.00 3.02 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 8.00 3.82 0.00 1.80 1.60 0.00 2.95 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 49 W 8.40 4.16 0.00 3.42 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 50 L 8.57 4.02 0.00 1.77 1.83 1.09 0.76 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 51 A 8.10 4.05 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 52 E 7.95 3.92 0.00 2.14 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 0.00 2.15 2.25 0.00 53 C 7.65 4.09 0.00 2.76 2.58 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 54 G 8.11 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 0.00 0.00 0.00 55 S 8.29 4.97 0.00 3.69 3.82 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 56 D 7.92 4.57 0.00 2.84 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 8.38 3.86 0.00 0.96 1.76 0.00 0.61 0.00 0.00 1.34 0.00 0.00 2.62 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.15 0.87 7.81 58 A 7.80 4.21 1.25 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 59 H 8.28 4.80 0.00 3.31 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.31 4.14 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 0.97 0.00 0.00 1.07 0.00 0.00 61 L 8.90 4.42 0.00 1.68 1.66 0.85 0.79 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 7.84 5.30 0.00 2.74 2.42 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 63 A 8.96 5.02 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 64 V 8.64 4.43 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 0.19 0.00 0.00 0.85 0.00 0.00 65 I 8.54 4.65 1.62 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.51 0.80 0.00 0.00 66 Y 9.06 5.25 0.00 2.83 2.84 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 0.00 0.00 0.00 67 L 8.60 5.09 0.00 1.64 1.60 1.04 0.56 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 68 R 8.72 4.07 0.00 1.98 2.04 0.00 3.25 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 D 7.06 4.95 0.00 2.70 2.50 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 *71 G 8.57 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 0.00 0.00 0.00 72 D 8.22 4.78 0.00 2.87 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 73 Y 8.33 4.11 0.00 2.80 3.03 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 0.00 0.00 0.00 74 A 8.16 3.97 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 75 E 7.72 3.88 0.00 1.90 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 2.29 0.00 *77 N 8.34 4.50 0.00 2.76 2.77 0.00 0.00 6.89 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 8.08 3.70 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 0.00 0.00 0.00 79 V 7.45 3.77 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 1.01 0.00 0.00 0.99 0.00 0.00 80 W 8.25 4.28 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 81 D 8.82 4.44 0.00 2.73 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 7.61 4.12 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 7.49 4.24 0.00 3.17 3.22 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 0.00 84 V 6.61 2.73 1.77 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 -0.06 0.00 0.00 0.81 0.00 0.00 85 A 7.77 3.85 1.01 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 0.00 0.00 86 A 8.39 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 8.96 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 7.67 4.66 0.00 1.64 1.77 0.00 3.08 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 89 T 7.94 4.04 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 1.21 0.00 0.00 90 P 0.00 4.81 0.00 2.25 2.38 0.00 4.04 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 2.43 2.29 0.00 91 A 8.64 4.30 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 92 R 8.34 5.11 0.00 1.78 1.66 0.00 2.21 0.00 0.00 2.76 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 93 A 8.73 4.68 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 8.58 5.06 0.00 2.84 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 2.09 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 0.68 0.00 0.00 1.02 0.00 0.00 96 E 8.64 5.12 0.00 2.04 1.83 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 2.41 2.40 0.00 97 A 8.69 4.81 1.22 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 0.00 0.00 0.00 98 R 8.78 4.01 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.09 4.71 0.00 1.97 1.89 1.12 0.96 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 0.00 100 A 8.81 4.14 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 0.00 101 R 6.41 4.26 0.00 0.67 1.14 0.00 2.87 0.00 0.00 2.89 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 102 P 0.00 4.29 0.00 1.96 2.05 0.00 3.45 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 103 E 7.78 4.13 0.00 2.13 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 2.20 2.34 0.00 104 W 7.80 4.68 0.00 3.53 3.03 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 0.00 0.00 0.00 105 R 9.62 4.69 0.00 1.86 2.01 0.00 3.17 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 106 V 7.59 5.07 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 0.61 0.00 0.00 0.92 0.00 0.00 107 E 9.49 4.67 0.00 2.01 1.90 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 2.32 2.24 0.00 108 I 8.45 4.93 1.84 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 1.18 0.76 0.97 0.00 0.00 109 K 9.26 4.51 0.00 1.94 1.74 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 110 I 8.34 5.03 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.97 0.00 0.00 111 T 8.81 4.91 4.12 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 0.73 0.00 0.00 112 A 8.88 5.29 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 0.00 113 V 8.14 4.84 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 0.77 0.00 0.00 0.98 0.00 0.00 114 K 9.24 4.13 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.60 7.81 115 R 8.09 4.04 0.00 1.61 1.80 0.00 3.08 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.28 0.00 116 D 8.49 4.49 0.00 2.67 2.58 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 * Residues marked with a * may have inaccurate shift predictions.