NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8634 8.3033 120.3564 55.6013 31.1613 174.1997 2 L 4.0904 8.0555 125.6094 57.3780 41.2817 178.2775 3 L 4.1908 9.1661 119.3178 56.8862 42.2153 178.5654 4 Q 4.1108 8.0850 118.4880 58.2143 28.9899 177.7034 5 F 4.4447 8.2480 121.2593 61.5013 39.4588 176.8187 6 R 3.7650 8.3884 118.5104 59.5828 29.9530 178.6676 7 K 4.2217 7.7850 117.6700 59.4574 32.0261 179.4428 8 M 4.4895 8.0802 118.8096 58.6383 31.9748 178.7538 9 I 3.8044 7.9041 119.9766 64.1411 37.1451 178.3561 10 K 4.2278 8.0878 121.7626 59.0376 31.8874 178.7993 11 K 3.7091 7.8826 117.9556 59.6427 32.1895 178.1819 12 M 4.3904 8.3473 117.2637 57.1331 32.1623 177.6457 13 T 4.5555 8.1672 114.5852 62.5989 70.9798 175.4721 14 G 3.8131 8.7424 108.7246 45.6618 0.0000 172.9368 *16 K 4.5460 7.4582 117.5792 55.8344 33.3294 174.7298 17 E 4.3612 8.4334 121.4265 55.3755 30.1238 175.5395 18 P 4.4738 0.0000 0.0000 65.8613 31.2930 178.9349 19 V 3.6126 7.9580 116.7678 64.3952 31.1771 178.1038 20 V 4.1007 7.6812 117.2346 65.4292 32.0292 177.5181 21 S 4.6502 8.1868 114.1747 59.3192 63.0717 174.5891 22 Y 4.5619 8.4073 117.1997 57.6512 40.2129 177.4394 23 A 3.7780 8.0273 122.1811 54.3961 18.7423 178.3970 24 F 5.1752 7.8260 112.5312 57.2049 40.4951 173.6745 25 Y 4.4461 8.1595 123.3737 58.5035 39.9613 175.9494 26 G 3.8263 8.0325 115.8143 47.5316 0.0000 174.0429 27 C 4.8482 9.9681 117.9009 56.8689 41.6775 174.6830 28 Y 4.3879 8.2845 115.2768 58.3220 39.9293 176.4777 29 C 4.5831 8.3191 116.0194 59.6585 40.7793 175.4332 30 G 4.2843 7.7729 107.6137 45.6801 0.0000 173.0177 31 S 4.3609 8.6513 115.9213 59.1199 64.4101 176.2293 32 G 3.6864 8.5853 111.2401 46.5106 0.0000 173.5728 33 G 4.5262 7.9550 116.5973 45.7497 0.0000 171.3168 34 R 4.4952 6.9712 116.5162 55.4068 33.1885 176.9491 35 G 3.9014 8.5210 105.5146 46.2261 0.0000 172.4079 36 K 4.7478 8.4187 123.5784 53.4295 34.2312 174.6096 37 P 4.5732 0.0000 0.0000 62.9862 31.7913 176.6337 38 K 3.9610 8.9632 122.8364 59.2289 32.5583 176.1141 39 D 4.3871 7.2121 115.4609 51.5996 41.6801 174.6035 40 A 3.9632 8.8095 119.5296 56.3666 17.9522 179.9826 41 T 3.9148 8.7445 114.3820 66.9833 68.4989 176.4072 42 D 4.4766 8.0416 119.2657 57.1992 41.1952 178.0707 43 R 4.0020 8.1062 119.4892 59.2227 29.9624 177.7510 44 C 4.2557 8.1044 116.3546 60.3822 41.4558 175.5226 45 C 4.3232 8.2093 117.5252 59.7662 37.0209 175.9650 46 F 3.8068 8.2150 122.4923 61.1180 38.8624 177.4435 47 V 3.1830 7.9808 118.1562 66.1139 31.3538 177.4387 48 H 3.7992 8.2289 118.0968 59.1109 29.4310 176.7584 49 D 4.1638 7.9340 119.9562 57.4861 40.8510 177.6548 50 C 4.1203 7.3808 115.9945 59.6560 34.9397 175.0799 51 C 4.2817 7.9967 120.4653 59.9822 41.5508 175.3399 52 Y 3.9813 7.9292 118.0581 60.8855 37.1100 178.2642 53 E 4.1456 7.7629 119.0188 58.8685 29.6278 178.8752 54 K 4.1902 7.6348 117.6071 57.3319 32.3206 177.6070 55 V 3.9332 6.8243 117.9741 62.5138 31.8671 174.6584 56 T 4.2047 8.5360 120.8502 63.3943 69.0403 175.1604 *59 G 3.7376 7.8530 108.8288 45.2883 0.0000 170.8109 *61 C 4.8008 7.5885 112.6622 55.2569 42.3194 171.8413 *67 D 4.7140 8.4362 117.0188 53.3967 40.4683 173.8308 68 P 3.8081 0.0000 0.0000 65.3519 31.7047 178.3172 69 K 3.6052 8.0781 118.5056 58.3264 31.8597 178.4142 70 W 4.9464 7.7635 113.9939 56.3627 30.0762 175.3338 71 D 4.7763 8.1921 120.0495 53.3014 41.2567 175.9386 72 D 4.6530 8.5659 123.9915 53.7884 41.7990 175.1590 73 Y 4.9579 7.8480 120.6335 55.2358 41.3036 174.4938 74 T 4.9887 8.3614 110.2311 60.5412 71.2603 172.9699 75 Y 5.2628 8.2304 120.9757 56.6419 41.2023 173.1958 76 S 4.4403 9.3032 115.0706 56.5925 68.2367 174.3900 77 W 5.0585 8.4533 118.1368 55.1837 29.4514 176.2782 78 K 3.6090 8.3299 120.3512 57.6199 32.1082 175.4595 79 N 4.0265 9.3716 126.8524 55.2485 36.4152 174.5185 80 G 4.1314 8.1726 102.8327 46.5802 0.0000 171.7181 81 T 4.9002 7.7636 115.8983 61.3617 71.9777 173.6323 82 I 3.7694 8.2966 126.1983 61.2337 38.1210 175.4997 83 V 4.3191 9.3101 127.6632 61.2352 34.2088 173.4758 84 C 4.8510 8.8674 125.7424 56.2709 41.0503 173.3546 85 G 4.0289 8.8504 112.5794 46.5817 0.0000 173.0330 86 G 4.0350 8.7582 106.0237 45.7947 0.0000 173.6866 *88 D 4.8032 8.0940 116.5259 53.7504 42.8594 176.1592 89 D 4.5505 7.8141 119.1930 52.7614 41.7833 174.6077 90 P 4.2728 0.0000 0.0000 65.7124 31.3534 179.0308 91 C 4.1514 8.2864 118.4126 59.6867 39.5314 175.6687 92 K 3.8786 8.1293 119.5865 59.2958 31.6743 179.1687 93 K 3.8379 8.0633 120.1013 59.1234 31.8794 178.4304 94 E 3.8165 8.0198 120.0114 59.3268 29.7022 179.2908 95 V 3.4958 7.7307 118.7079 64.4171 31.4085 177.5314 96 C 2.9414 7.4869 119.5240 59.0450 44.3307 175.3149 97 E 3.6008 7.9249 120.2895 59.0857 29.0369 178.5573 98 C 4.0632 7.5369 116.8631 60.0433 40.5379 175.9307 99 D 3.3700 7.4747 119.7476 56.8388 40.4537 178.5485 100 K 3.6061 7.8461 120.1413 59.5630 32.0680 178.5621 101 A 3.8364 7.9291 120.6550 54.8928 18.1808 179.5153 102 A 3.4254 7.5687 118.8165 55.0602 18.4573 179.6207 103 A 3.7811 7.9464 119.4888 55.5029 18.4296 180.0037 104 I 3.7262 7.5561 117.9580 64.4362 36.9465 177.8521 105 C 4.2432 8.0034 119.6078 59.5504 43.1674 175.7207 106 F 4.5031 7.7539 118.8451 60.5019 38.5293 177.2844 107 R 4.1365 8.0626 118.3459 59.7673 29.7164 178.4149 108 D 4.4620 8.2299 117.2625 56.4992 40.9393 177.4991 109 N 4.9261 7.7406 115.2366 52.9970 38.9573 176.2300 110 L 4.0783 7.7253 125.4069 58.4453 41.8036 179.3361 111 K 4.0722 8.2364 117.0136 58.9047 32.1627 177.4493 112 T 4.4933 7.8271 106.9362 61.1068 69.1468 173.9736 113 Y 4.1162 8.1298 125.3167 57.9164 39.3426 174.7224 114 K 4.8074 9.0610 127.1502 54.3355 34.6248 177.4431 115 K 4.1689 8.9556 124.0678 59.3604 32.2293 179.1988 116 R 3.9606 7.9239 113.8209 58.2516 29.4956 176.7016 117 Y 4.2940 7.6113 116.2577 58.5858 38.0166 175.7471 118 M 4.1650 7.4913 117.3055 55.8049 31.9182 175.9576 119 A 3.9417 8.3390 121.0056 53.2478 16.9147 177.0043 120 Y 4.0256 7.4140 120.9616 58.0975 39.4775 173.7134 121 P 4.2833 0.0000 0.0000 62.4837 31.8588 177.1370 122 D 4.4329 8.7595 123.8722 57.2009 41.0407 178.4017 *124 I 4.1157 7.5948 117.9353 61.0282 38.8735 176.1442 125 L 4.4015 7.7106 117.9186 54.9998 41.8130 176.2265 126 C 4.6492 8.0401 117.4182 55.9418 39.4057 173.4910 127 S 4.3236 8.6634 117.4736 58.9397 62.4642 175.5909 128 S 4.2097 8.6248 120.8986 60.3074 63.3457 174.3189 129 K 4.4012 7.8833 121.9603 54.7134 32.5217 174.9774 130 S 5.4318 8.3873 122.7027 57.1364 63.8787 174.0746 131 E 4.1062 8.1203 124.6381 56.3286 30.0696 176.1619 132 K 4.7082 8.4193 124.2951 54.9700 34.1584 177.4487 133 C 4.5373 8.7959 119.3808 57.4745 41.1621 173.7463 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 1 H 8.30 4.86 0.00 3.09 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.06 4.09 0.00 1.78 1.77 0.58 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.17 4.19 0.00 1.79 1.80 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.09 4.11 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 5 F 8.25 4.44 0.00 3.33 3.23 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 6 R 8.39 3.77 0.00 1.94 2.14 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 7 K 7.78 4.22 0.00 2.35 2.12 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.88 7.81 8 M 8.08 4.49 0.00 2.16 2.49 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.28 0.00 9 I 7.90 3.80 1.89 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.71 0.00 0.00 10 K 8.09 4.23 0.00 2.13 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.36 7.81 11 K 7.88 3.71 0.00 2.10 1.74 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.59 1.15 7.81 12 M 8.35 4.39 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.19 0.00 13 T 8.17 4.56 4.60 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 1.43 0.00 0.00 14 G 8.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.46 4.55 0.00 1.98 1.77 0.00 1.57 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.35 7.81 17 E 8.43 4.36 0.00 2.03 1.89 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 2.41 2.38 0.00 18 P 0.00 4.47 0.00 2.17 2.01 0.00 3.70 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 19 V 7.96 3.61 2.23 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 0.83 0.00 0.00 0.99 0.00 0.00 20 V 7.68 4.10 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 0.97 0.00 0.00 1.00 0.00 0.00 21 S 8.19 4.65 0.00 3.40 3.67 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 0.00 0.00 0.00 0.00 22 Y 8.41 4.56 0.00 2.84 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 23 A 8.03 3.78 0.50 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 24 F 7.83 5.18 0.00 3.23 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 25 Y 8.16 4.45 0.00 2.86 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 26 G 8.03 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 27 C 9.97 4.85 0.00 2.91 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 28 Y 8.28 4.39 0.00 3.24 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 29 C 8.32 4.58 0.00 3.41 3.44 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 30 G 7.77 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 0.00 0.00 0.00 0.00 31 S 8.65 4.36 0.00 3.94 3.87 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 32 G 8.59 3.69 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 0.00 0.00 0.00 33 G 7.95 4.53 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 0.00 34 R 6.97 4.50 0.00 1.83 1.75 0.00 3.35 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 35 G 8.52 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 36 K 8.42 4.75 0.00 1.64 1.68 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.43 7.81 37 P 0.00 4.57 0.00 1.94 1.92 0.00 3.55 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 38 K 8.96 3.96 0.00 1.23 0.74 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.03 0.84 7.81 39 D 7.21 4.39 0.00 2.68 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 40 A 8.81 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.91 3.72 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 0.86 0.00 0.00 42 D 8.04 4.48 0.00 2.80 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 43 R 8.11 4.00 0.00 2.08 2.10 0.00 3.12 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 44 C 8.10 4.26 0.00 3.67 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 45 C 8.21 4.32 0.00 3.36 3.42 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 46 F 8.22 3.81 0.00 2.52 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 47 V 7.98 3.18 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 0.88 0.00 0.00 0.98 0.00 0.00 48 H 8.23 3.80 0.00 3.11 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.93 4.16 0.00 2.99 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.38 4.12 0.00 2.84 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 51 C 8.00 4.28 0.00 2.95 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 52 Y 7.93 3.98 0.00 2.85 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 53 E 7.76 4.15 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 2.48 2.46 0.00 54 K 7.63 4.19 0.00 1.79 1.81 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 55 V 6.82 3.93 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 0.89 0.00 0.00 0.90 0.00 0.00 56 T 8.54 4.20 4.22 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 1.23 0.00 0.00 *59 G 7.85 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 *61 C 7.59 4.80 0.00 3.36 3.29 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 *67 D 8.44 4.71 0.00 2.76 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 68 P 0.00 3.81 0.00 0.49 1.23 0.00 3.61 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 1.57 1.61 0.00 69 K 8.08 3.61 0.00 1.28 0.74 0.00 0.96 0.00 0.00 1.38 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.75 1.17 7.81 70 W 7.76 4.95 0.00 3.36 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 71 D 8.19 4.78 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.65 0.00 2.64 2.54 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 73 Y 7.85 4.96 0.00 2.97 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 74 T 8.36 4.99 4.30 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 1.28 0.00 0.00 75 Y 8.23 5.26 0.00 3.00 2.96 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 76 S 9.30 4.44 0.00 3.63 3.72 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 77 W 8.45 5.06 0.00 3.26 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 78 K 8.33 3.61 0.00 1.74 1.83 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.50 7.81 79 N 9.37 4.03 0.00 2.99 2.82 0.00 0.00 7.07 7.91 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 80 G 8.17 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 81 T 7.76 4.90 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 1.22 0.00 0.00 82 I 8.30 3.77 1.60 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 0.16 -0.36 0.64 0.00 0.00 83 V 9.31 4.32 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 0.85 0.00 0.00 0.98 0.00 0.00 84 C 8.87 4.85 0.00 2.88 2.86 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 85 G 8.85 4.03 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 0.00 0.00 0.00 86 G 8.76 4.03 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 0.00 0.00 0.00 *88 D 8.09 4.80 0.00 2.69 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 89 D 7.81 4.55 0.00 2.72 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 90 P 0.00 4.27 0.00 2.27 2.26 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 91 C 8.29 4.15 0.00 3.01 3.19 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 92 K 8.13 3.88 0.00 1.88 1.96 0.00 1.75 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.62 7.81 93 K 8.06 3.84 0.00 1.85 1.79 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 94 E 8.02 3.82 0.00 2.24 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 2.21 2.23 0.00 95 V 7.73 3.50 1.72 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 0.73 0.00 0.00 0.78 0.00 0.00 96 C 7.49 2.94 0.00 1.97 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 97 E 7.92 3.60 0.00 2.03 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 2.30 2.36 0.00 98 C 7.54 4.06 0.00 3.09 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 99 D 7.47 3.37 0.00 2.55 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 0.00 0.00 0.00 0.00 100 K 7.85 3.61 0.00 1.58 1.74 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.44 7.81 101 A 7.93 3.84 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 0.00 102 A 7.57 3.43 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 0.00 103 A 7.95 3.78 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 0.00 104 I 7.56 3.73 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.90 0.00 0.00 105 C 8.00 4.24 0.00 2.98 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 0.00 106 F 7.75 4.50 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.06 4.14 0.00 2.10 2.15 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 108 D 8.23 4.46 0.00 2.72 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 0.00 109 N 7.74 4.93 0.00 2.95 2.88 0.00 0.00 6.52 6.61 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 0.00 110 L 7.73 4.08 0.00 2.04 1.74 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.24 4.07 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.36 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 112 T 7.83 4.49 4.30 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 1.31 0.00 0.00 113 Y 8.13 4.12 0.00 3.12 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 0.00 114 K 9.06 4.81 0.00 2.14 1.87 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.31 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 115 K 8.96 4.17 0.00 1.88 1.91 0.00 1.71 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.56 7.81 116 R 7.92 3.96 0.00 1.73 1.93 0.00 2.64 0.00 0.00 3.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.02 0.00 117 Y 7.61 4.29 0.00 2.48 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 0.00 118 M 7.49 4.16 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 119 A 8.34 3.94 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 0.00 120 Y 7.41 4.03 0.00 3.35 3.08 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 0.00 0.00 0.00 121 P 0.00 4.28 0.00 1.92 1.82 0.00 2.56 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 1.79 1.90 0.00 122 D 8.76 4.43 0.00 2.81 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 *124 I 7.59 4.12 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 1.39 0.70 0.90 0.00 0.00 125 L 7.71 4.40 0.00 1.66 1.74 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.04 4.65 0.00 3.11 3.16 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 0.00 127 S 8.66 4.32 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.62 4.21 0.00 3.92 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 0.00 129 K 7.88 4.40 0.00 1.79 1.69 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 130 S 8.39 5.43 0.00 3.91 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 E 8.12 4.11 0.00 1.73 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 2.09 2.14 0.00 132 K 8.42 4.71 0.00 1.74 1.77 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 133 C 8.80 4.54 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.