NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3810 8.4449 121.5062 55.4087 31.4844 175.1740 3 Q 4.6539 8.1634 117.5415 53.7682 31.1045 173.6685 4 Y 4.5112 9.3543 123.5321 57.6493 39.6979 174.0133 5 Y 6.1975 8.6425 124.9270 55.5228 42.7213 174.3325 6 G 3.8614 7.3473 108.3281 45.4423 0.0000 172.4200 7 T 4.8858 8.1093 119.0667 61.4040 70.2313 173.9231 8 G 3.9172 8.7946 115.4602 45.6661 0.0000 171.4399 9 R 5.2499 8.2818 124.0001 55.1248 33.4827 174.4961 10 R 4.2024 9.2472 125.1954 56.3634 33.2817 173.9496 11 K 3.6409 9.0058 127.5547 58.4662 29.5552 174.0995 12 E 3.6824 8.2711 114.2039 56.5796 28.5739 174.5201 13 A 4.5489 8.1289 122.3966 50.2707 19.9385 176.5135 14 V 4.9333 8.4553 122.8436 61.3145 34.9188 174.3325 15 A 5.0809 9.1826 126.3632 50.6135 23.0872 175.1844 16 R 4.5389 8.9231 121.3674 54.3662 32.6441 175.3788 17 V 4.0289 8.6153 125.3136 61.2576 32.9531 174.5489 18 F 5.7839 8.1389 125.7952 56.0169 42.1432 174.6441 19 L 4.7323 8.8396 123.4613 53.4289 44.9198 176.7722 20 R 4.4082 8.2387 118.3744 54.7693 33.7594 173.4795 21 P 4.4687 0.0000 0.0000 61.7945 31.9306 175.9222 22 G 3.9967 9.0456 105.1397 45.7441 0.0000 173.8781 23 N 3.3486 8.2292 114.1534 53.8021 38.8493 175.9168 24 G 5.3884 5.5585 124.1117 47.1930 0.0000 173.8121 25 K 3.9535 7.3074 118.8148 57.2956 33.5372 175.9659 26 V 5.0390 8.3911 120.6124 61.8117 34.9376 174.2799 27 T 5.2685 9.2127 121.7992 62.2667 73.3082 172.7947 28 V 5.0164 8.7978 126.1663 60.9513 34.0513 175.2219 29 N 4.1335 9.4156 124.9559 54.8622 35.8929 173.9307 30 G 3.9950 7.8743 98.1439 45.7279 0.0000 172.5711 31 Q 4.4299 7.8014 118.2327 53.0132 32.5528 172.6897 32 D 4.8094 8.8178 125.0292 54.1825 42.8528 176.4333 33 F 4.0604 9.2426 128.4459 62.3928 39.3636 177.5662 34 N 4.2524 8.3326 114.8788 56.2633 38.4106 176.7273 35 E 4.0909 7.6966 117.4104 58.3125 29.7352 177.3374 36 Y 4.3721 7.5108 118.3980 58.9590 40.0131 175.1032 37 F 4.7878 7.3982 118.2219 55.7552 39.4795 174.7579 38 Q 4.2188 7.8967 122.4015 57.3030 28.3527 175.6360 39 G 3.7971 8.6645 111.6569 45.8719 0.0000 172.2230 40 L 4.2463 8.0967 121.9037 52.7421 40.2835 177.8556 41 V 3.5757 8.1671 123.8578 64.7599 31.9823 176.5659 42 R 4.2528 8.0797 118.4949 58.6968 31.0301 178.4822 43 A 3.7401 7.5626 120.6124 55.3183 19.0210 179.4836 44 V 3.6732 8.1109 107.6776 64.8640 31.6981 177.3721 45 A 4.4234 9.2077 122.6109 54.7259 18.2510 181.9909 46 A 4.5156 7.4275 118.7993 51.4772 17.3691 178.2572 47 L 4.5645 9.8693 117.6230 55.3623 45.4382 178.6299 48 E 3.8478 8.2416 120.4662 58.6990 29.5658 177.1005 49 P 3.6290 0.0000 0.0000 63.2752 30.8705 176.2897 50 L 4.5252 8.4498 121.5728 55.9563 43.9030 179.1267 51 R 3.9430 7.1756 118.4675 59.0155 29.9129 178.4262 52 A 4.1802 7.8316 119.4052 55.9072 18.4827 178.8464 53 V 4.0170 7.9720 109.8344 60.4420 31.8583 176.7624 54 D 5.4153 8.1111 135.0000 55.4539 42.2072 177.5555 55 A 4.2441 7.6747 122.2453 52.2663 17.0607 176.1032 56 L 4.5550 8.2440 122.5891 56.2408 44.7095 177.5132 57 G 4.2590 7.7415 107.8309 46.1044 0.0000 173.1078 *58 H 4.9775 8.1034 113.6061 54.6434 31.5154 175.7064 59 F 4.8750 7.9992 115.8389 57.0154 44.0096 173.7180 60 D 5.8473 8.6498 118.4079 57.9988 41.4636 176.8854 61 A 3.6390 6.9520 117.9985 47.4327 19.9361 176.4580 62 Y 5.2352 8.6540 122.0331 56.0751 41.9978 173.9549 63 I 4.2186 8.8167 127.9934 59.4347 41.1503 174.5371 64 T 4.9194 7.7119 121.0908 60.2996 69.5291 173.5194 65 V 4.9517 8.2212 127.1355 60.1153 34.6422 175.1284 66 R 4.5651 9.1767 122.1563 55.7192 33.9202 175.5611 67 G 4.2033 9.1472 109.9734 46.5243 0.0000 173.9380 68 G 4.2447 8.7881 107.2547 45.8160 0.0000 173.8971 69 G 4.2535 8.1770 110.6740 42.4242 0.0000 172.8665 70 K 3.8377 8.7969 120.1946 60.1066 31.8328 178.6687 71 S 4.0883 8.1705 113.3750 60.0977 62.1726 175.7867 72 G 3.9360 7.9147 107.5178 48.2408 0.0000 174.6637 73 Q 4.0913 8.2878 121.2862 58.8235 28.8239 179.3727 74 I 3.9548 7.4559 120.1301 64.8813 36.9504 178.0485 75 D 4.3260 8.2555 118.3089 57.3051 40.9003 178.3135 76 A 4.1312 9.8140 120.8488 55.5143 18.2380 179.3569 77 I 3.5707 8.6579 118.8659 64.8113 37.2025 178.3473 78 K 3.2932 8.1893 120.0648 59.6517 31.5611 178.2422 79 L 4.0986 7.9359 120.1071 58.0582 42.3490 178.5040 80 G 3.7393 8.0300 105.1023 48.3556 0.0000 174.6667 81 I 3.5435 8.6448 122.7616 64.1080 36.9079 177.6936 82 A 4.0229 7.6464 121.2341 53.8857 18.7769 178.4531 83 R 4.1533 7.7988 117.7964 58.1520 30.5699 178.1033 84 A 4.7755 7.8296 122.1237 54.6385 18.4578 179.3382 85 L 4.0268 7.8226 116.7163 57.6246 40.1558 178.6754 86 V 4.1570 7.4631 119.1217 63.7019 32.4622 177.4932 87 Q 4.0865 7.6836 118.9204 59.4763 29.1627 177.7388 88 Y 4.0624 8.8909 116.7822 59.6385 39.4848 176.6431 89 N 5.0634 7.5356 116.7988 52.2342 41.2753 172.9385 90 P 4.7851 0.0000 0.0000 63.1588 32.0726 177.9308 91 D 4.8720 8.2576 120.6800 56.4289 42.1397 177.3316 92 Y 4.5426 8.1736 117.3847 58.2226 37.9907 177.5451 93 R 3.8407 8.0934 121.7996 58.6671 30.7733 177.4795 94 A 4.6089 7.4458 119.1911 51.8698 18.0668 177.8893 95 K 4.6452 8.9563 118.4981 60.0993 36.7404 178.0092 96 L 4.0093 7.5428 122.1949 56.9487 42.3242 177.8805 97 K 4.1660 7.9685 117.0006 57.5733 33.7205 175.7788 98 P 4.2548 0.0000 0.0000 65.7479 31.3011 178.0227 99 L 3.8498 7.9093 116.4221 55.7081 42.2029 176.6849 100 G 3.3902 7.7257 105.3230 46.3400 0.0000 173.3976 101 F 4.7704 8.6448 112.2931 56.8914 40.1507 176.1273 102 L 4.5469 7.6701 121.9928 54.4863 43.0979 175.7551 103 T 4.2706 8.0684 122.0896 63.1368 71.7106 174.4803 104 R 3.8343 8.9559 126.5498 57.3865 30.5727 175.8100 105 D 4.2773 7.1250 115.5592 58.1247 39.9765 175.0639 106 A 3.9411 8.3640 122.7436 56.4775 19.3232 180.3788 107 R 3.6541 6.3548 118.5948 56.3923 26.6509 175.6211 108 V 4.4305 7.5300 114.7839 58.3488 35.1372 175.8507 109 V 3.6386 8.2325 121.1618 63.1495 31.5455 175.0824 110 E 4.4445 8.5025 125.3667 54.5389 31.3960 175.8938 111 R 3.7209 8.4972 120.5263 56.8564 30.4247 175.5399 112 K 4.4113 8.4661 125.5582 55.5853 31.6727 176.6756 113 K 4.3928 8.4628 126.5897 55.9249 32.8941 176.4777 114 Y 4.2778 8.8923 120.0832 58.3681 38.5982 176.1184 115 G 3.6764 10.5508 110.3175 45.3152 0.0000 174.0760 116 K 4.2855 8.0141 117.1011 56.3898 34.3813 176.8673 117 H 4.0028 7.8335 121.9337 58.2456 29.1337 176.0058 118 K 4.3771 7.5011 118.4411 55.4413 33.4530 175.2063 119 A 4.6359 8.6207 129.1415 52.4380 17.5876 178.3731 120 R 4.2910 7.6620 109.1524 57.9426 32.5762 175.5805 121 R 3.6309 7.8626 118.3315 56.4768 29.5660 175.1965 122 A 4.6161 8.2108 128.2605 49.4540 21.1234 174.2550 123 P 4.5870 0.0000 0.0000 62.3744 32.0242 176.2798 124 Q 4.1027 8.4306 120.9473 56.3466 29.6205 175.2435 125 Y 4.8204 8.3799 125.2576 57.0413 39.5221 173.0815 126 S 4.1323 6.7433 115.7524 54.6315 66.3903 173.5269 127 K 3.5579 7.4661 125.6802 54.5853 29.9319 175.9129 128 R 4.0943 7.6805 117.8375 56.6118 28.6922 175.0354 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 E 8.44 4.38 0.00 2.03 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 2.30 2.41 0.00 3 Q 8.16 4.65 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 4 Y 9.35 4.51 0.00 2.64 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 5 Y 8.64 6.20 0.00 3.23 2.99 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 0.00 6 G 7.35 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 7 T 8.11 4.89 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 1.29 0.00 0.00 8 G 8.79 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.28 5.25 0.00 1.78 1.75 0.00 3.29 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 10 R 9.25 4.20 0.00 1.75 1.76 0.00 3.46 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 11 K 9.01 3.64 0.00 1.97 1.75 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 12 E 8.27 3.68 0.00 2.11 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 2.24 2.23 0.00 13 A 8.13 4.55 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 V 8.46 4.93 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 0.96 0.00 0.00 0.95 0.00 0.00 15 A 9.18 5.08 1.20 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 0.00 0.00 16 R 8.92 4.54 0.00 1.45 0.89 0.00 3.43 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 17 V 8.62 4.03 1.97 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 0.86 0.00 0.00 0.72 0.00 0.00 18 F 8.14 5.78 0.00 3.33 2.92 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 0.00 0.00 0.00 19 L 8.84 4.73 0.00 1.21 1.55 0.13 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.24 4.41 0.00 1.80 1.80 0.00 3.35 0.00 0.00 3.47 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 21 P 0.00 4.47 0.00 1.66 1.42 0.00 3.57 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.95 0.00 22 G 9.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.23 3.35 0.00 3.18 2.56 0.00 0.00 6.59 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 24 G 5.56 5.39 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 0.00 25 K 7.31 3.95 0.00 1.87 2.02 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 26 V 8.39 5.04 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 0.96 0.00 0.00 0.72 0.00 0.00 27 T 9.21 5.27 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 1.30 0.00 0.00 28 V 8.80 5.02 1.41 0.00 0.00 0.00 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 1.11 0.00 0.00 29 N 9.42 4.13 0.00 2.45 2.66 0.00 0.00 7.06 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 30 G 7.87 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 0.00 0.00 0.00 0.00 31 Q 7.80 4.43 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 32 D 8.82 4.81 0.00 2.77 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 33 F 9.24 4.06 0.00 3.15 3.14 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 0.00 0.00 0.00 34 N 8.33 4.25 0.00 2.92 2.91 0.00 0.00 6.57 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 35 E 7.70 4.09 0.00 2.01 1.97 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 2.32 2.32 0.00 36 Y 7.51 4.37 0.00 2.64 2.49 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 37 F 7.40 4.79 0.00 2.79 2.57 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 0.00 0.00 0.00 0.00 38 Q 7.90 4.22 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 39 G 8.66 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 40 L 8.10 4.25 0.00 1.63 1.51 0.90 0.77 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 41 V 8.17 3.58 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 0.75 0.00 0.00 0.97 0.00 0.00 42 R 8.08 4.25 0.00 1.80 1.74 0.00 3.13 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 43 A 7.56 3.74 1.14 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 0.00 0.00 0.00 0.00 0.00 44 V 8.11 3.67 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 0.79 0.00 0.00 1.01 0.00 0.00 45 A 9.21 4.42 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 46 A 7.43 4.52 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 47 L 9.87 4.56 0.00 1.80 1.47 0.62 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.24 3.85 0.00 2.29 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 0.00 2.44 2.39 0.00 49 P 0.00 3.63 0.00 1.84 1.34 0.00 3.57 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 50 L 8.45 4.53 0.00 1.70 1.94 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.18 3.94 0.00 1.94 1.99 0.00 3.18 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 52 A 7.83 4.18 1.28 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 0.00 0.00 53 V 7.97 4.02 2.39 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 0.99 0.00 0.00 1.00 0.00 0.00 54 D 8.11 5.42 0.00 2.83 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 55 A 7.67 4.24 1.45 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 0.00 0.00 0.00 56 L 8.24 4.55 0.00 1.58 1.67 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.10 4.98 0.00 2.56 2.98 0.00 7.17 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.00 4.87 0.00 2.76 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 60 D 8.65 5.85 0.00 2.47 2.65 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 0.00 0.00 0.00 0.00 61 A 6.95 3.64 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 62 Y 8.65 5.24 0.00 3.07 2.91 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 63 I 8.82 4.22 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.38 0.81 0.00 0.00 64 T 7.71 4.92 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 1.07 0.00 0.00 65 V 8.22 4.95 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 0.99 0.00 0.00 1.11 0.00 0.00 66 R 9.18 4.57 0.00 1.75 1.82 0.00 3.10 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 G 9.15 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 0.00 0.00 0.00 0.00 68 G 8.79 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 0.00 0.00 0.00 0.00 69 G 8.18 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 0.00 0.00 0.00 0.00 70 K 8.80 3.84 0.00 1.73 1.80 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.39 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.51 7.81 71 S 8.17 4.09 0.00 3.81 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 72 G 7.91 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 73 Q 8.29 4.09 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 74 I 7.46 3.95 1.89 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.13 0.79 0.00 0.00 75 D 8.26 4.33 0.00 2.67 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 76 A 9.81 4.13 1.44 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 0.00 0.00 0.00 77 I 8.66 3.57 2.12 0.00 0.00 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 1.46 1.21 0.92 0.00 0.00 78 K 8.19 3.29 0.00 1.82 2.09 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.55 1.51 7.81 79 L 7.94 4.10 0.00 1.64 1.92 0.93 1.44 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 80 G 8.03 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 0.00 0.00 0.00 81 I 8.64 3.54 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.69 0.00 0.00 82 A 7.65 4.02 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 83 R 7.80 4.15 0.00 1.92 1.95 0.00 3.04 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 84 A 7.83 4.78 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 85 L 7.82 4.03 0.00 1.69 1.76 0.85 0.37 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 86 V 7.46 4.16 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 0.89 0.00 0.00 0.98 0.00 0.00 87 Q 7.68 4.09 0.00 2.25 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 88 Y 8.89 4.06 0.00 3.06 2.99 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 0.00 89 N 7.54 5.06 0.00 2.50 2.54 0.00 0.00 6.59 7.88 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 90 P 0.00 4.79 0.00 2.21 2.30 0.00 3.77 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 91 D 8.26 4.87 0.00 2.83 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 92 Y 8.17 4.54 0.00 3.19 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 93 R 8.09 3.84 0.00 2.11 1.95 0.00 3.27 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 94 A 7.45 4.61 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 95 K 8.96 4.65 0.00 2.05 2.07 0.00 1.36 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.69 7.81 96 L 7.54 4.01 0.00 1.70 1.82 1.12 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.97 4.17 0.00 1.82 1.75 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 98 P 0.00 4.25 0.00 2.09 2.12 0.00 3.85 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 2.05 2.14 0.00 99 L 7.91 3.85 0.00 2.05 1.58 1.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.73 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 0.00 0.00 0.00 101 F 8.64 4.77 0.00 2.99 2.99 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 0.00 102 L 7.67 4.55 0.00 1.59 1.55 0.93 0.97 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 0.00 103 T 8.07 4.27 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 0.00 104 R 8.96 3.83 0.00 1.79 2.01 0.00 3.68 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 105 D 7.13 4.28 0.00 2.78 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 0.00 106 A 8.36 3.94 1.28 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 0.00 0.00 107 R 6.35 3.65 0.00 1.93 1.90 0.00 3.14 0.00 0.00 3.54 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 108 V 7.53 4.43 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 0.72 0.00 0.00 1.01 0.00 0.00 109 V 8.23 3.64 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 0.82 0.00 0.00 0.93 0.00 0.00 110 E 8.50 4.44 0.00 2.11 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 2.23 2.29 0.00 111 R 8.50 3.72 0.00 1.86 1.88 0.00 3.15 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 112 K 8.47 4.41 0.00 1.78 1.76 0.00 2.01 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.63 7.81 113 K 8.46 4.39 0.00 2.09 1.91 0.00 1.86 0.00 0.00 2.20 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.62 1.56 7.81 114 Y 8.89 4.28 0.00 3.06 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 0.00 115 G 10.55 3.68 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 0.00 0.00 0.00 116 K 8.01 4.29 0.00 1.80 1.90 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.50 7.81 117 H 7.83 4.00 0.00 3.18 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.50 4.38 0.00 1.68 1.71 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 119 A 8.62 4.64 1.53 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 0.00 0.00 120 R 7.66 4.29 0.00 1.76 1.91 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 121 R 7.86 3.63 0.00 1.78 1.94 0.00 3.45 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 122 A 8.21 4.62 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 0.00 123 P 0.00 4.59 0.00 2.23 2.09 0.00 3.73 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 1.99 1.91 0.00 124 Q 8.43 4.10 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 125 Y 8.38 4.82 0.00 2.84 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 0.00 126 S 6.74 4.13 0.00 3.67 3.50 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 0.00 127 K 7.47 3.56 0.00 1.24 1.25 0.00 1.98 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.43 7.81 128 R 7.68 4.09 0.00 1.96 1.82 0.00 3.05 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.29 0.00 * Residues marked with a * may have inaccurate shift predictions.