NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 N 4.9388 8.2833 118.1247 53.3218 40.1444 173.6425 9 R 4.3383 8.6144 122.7974 54.2158 33.0966 173.4839 10 T 5.1197 8.4701 113.9390 60.7997 71.0569 172.5043 11 V 4.1865 9.2542 129.0839 61.7310 33.2114 174.5981 12 V 4.6245 8.3243 127.0781 61.0353 33.7286 174.6335 13 V 4.6002 8.2450 126.1656 61.2831 34.8632 173.6845 14 E 5.0178 8.8739 125.7378 54.9744 33.2997 175.2926 15 R 4.6036 8.5763 119.8486 55.0192 35.3476 173.7590 16 Q 4.6599 8.5918 124.0296 54.8205 30.4728 174.4409 17 I 4.4092 8.5660 128.2344 58.8739 39.5589 177.0378 18 S 4.7120 8.2260 125.2428 57.6798 62.5510 173.5880 19 H 4.9000 7.5458 116.0696 52.3403 33.3997 172.0432 20 P 4.5475 0.0000 0.0000 62.0186 33.1999 175.5166 21 P 4.2758 0.0000 0.0000 66.5345 31.0336 178.3761 22 E 4.3022 8.1828 118.9995 58.3805 29.4709 179.2153 23 K 3.9578 7.9982 119.0492 59.3435 32.5366 178.4168 24 L 3.8292 7.7569 120.1547 57.9345 41.8903 178.5074 25 W 4.2187 8.8620 128.5613 60.7566 30.5564 178.1050 26 R 3.8697 8.1407 117.3597 59.2610 29.3344 178.9677 27 A 4.0643 7.7285 118.9588 54.5636 18.3871 178.8629 28 L 4.3540 7.2754 115.6396 55.5878 42.1240 177.3524 29 T 3.8897 6.9895 106.2373 60.7380 69.9306 173.6346 30 Q 4.5049 7.9445 123.1412 54.0494 30.0638 174.0911 31 P 4.2387 0.0000 0.0000 66.2252 31.2039 178.3376 32 H 4.2538 8.2267 111.3027 58.2606 28.7474 177.0409 33 L 4.1046 7.3774 121.3766 57.4037 41.8001 178.7786 34 I 3.2174 8.2936 120.3809 64.3413 36.7957 178.0892 35 E 3.8813 7.8116 118.5470 58.8607 29.3886 178.1699 36 E 4.1111 7.9463 119.2987 58.0064 29.8044 177.0970 37 W 4.8043 7.7545 113.3180 55.9648 30.6442 175.2798 38 L 3.5479 7.2781 119.8436 55.1616 42.2468 176.6104 *40 K 4.1374 8.4925 115.7592 56.4065 34.3898 174.3521 41 N 5.4665 8.4229 121.9651 52.7061 39.8894 173.2927 42 D 4.9089 8.3137 116.8887 52.5532 39.7782 175.9138 43 F 3.0594 7.7762 120.0981 59.0740 40.2556 174.0580 44 K 3.9362 5.6600 123.4515 54.3065 36.0528 176.1449 45 P 4.5141 0.0000 0.0000 62.2383 30.2941 176.6292 46 A 4.6484 7.1251 120.5764 49.7638 22.1247 176.2652 47 V 3.9020 8.4848 122.9451 64.6271 31.9140 176.4000 48 G 4.0290 9.3467 115.9434 43.1773 0.0000 173.0237 49 H 4.3988 8.2894 121.5813 56.2116 30.7733 174.0583 50 R 5.1456 8.3276 122.6347 54.9326 31.4648 175.2177 51 F 4.9067 8.6814 116.4936 56.2555 42.1375 172.1793 52 N 5.3010 9.9799 115.2404 51.4954 43.0817 174.0515 53 I 4.9613 8.0877 120.6396 59.6335 40.3424 174.8925 54 S 4.9248 8.7827 121.1308 56.3646 66.1253 173.3832 55 A 4.4666 8.0524 123.0342 50.1599 20.9725 178.0436 56 D 4.2671 8.5514 118.9842 56.7829 41.0383 177.8587 57 W 4.5116 7.5387 113.7679 56.2435 28.6388 176.3441 58 G 3.9681 7.4066 107.5771 45.6911 0.0000 175.0554 59 G 3.2246 6.0727 107.1805 46.2421 0.0000 173.0271 60 V 4.8388 7.7994 120.2991 60.0275 34.6479 173.5083 61 L 4.7793 8.6646 122.3378 53.0374 45.5704 174.9231 62 D 5.0083 8.8675 122.2568 52.9508 43.0050 175.4734 63 C 5.1461 8.7985 120.1411 56.7050 32.8503 172.6890 64 E 5.1513 9.0749 121.1204 54.6015 33.1521 174.5310 65 V 4.2005 9.4984 127.9990 63.5019 32.1634 175.9985 66 L 4.6822 9.3952 127.5388 55.9587 43.7907 176.8387 67 A 4.8717 7.9231 118.2636 50.5677 23.0064 175.6511 68 V 4.9207 8.4134 120.1788 61.8197 34.6784 174.3444 69 E 4.5213 9.8260 129.5045 53.4909 31.3652 171.5280 70 P 2.9700 0.0000 0.0000 62.1526 31.2077 175.9567 71 N 3.9270 5.7700 118.2176 53.7056 36.8796 174.4471 72 K 4.3863 7.8446 116.2494 57.6854 34.9297 176.1998 73 T 5.3978 7.5872 114.9948 61.9821 73.3633 172.5521 74 L 5.4028 8.9898 126.2144 54.1760 46.0250 174.4894 75 S 5.3118 9.5428 120.5944 57.1087 66.3340 171.9806 76 Y 5.5930 8.4722 122.2430 56.1891 41.0930 174.1415 77 T 4.5882 9.2568 112.0029 62.1170 70.5027 173.4645 78 W 5.2939 9.2527 133.2000 55.9344 31.7050 173.3667 79 N 5.4654 9.1099 122.1373 51.0773 42.9901 173.4408 80 L 4.6504 8.9889 122.8404 54.1145 45.2955 174.3102 81 A 4.7891 8.6323 129.6306 52.0296 18.9743 175.8614 82 H 4.7872 9.4084 122.3307 54.4893 32.8319 173.2770 83 Q 4.0251 8.8429 125.7193 58.9194 29.3302 176.1113 84 D 4.7169 8.4802 118.7404 52.4545 40.5634 174.7734 85 P 4.3906 0.0000 0.0000 65.5255 31.3066 178.2831 86 A 4.1172 9.0387 121.9960 54.1660 18.2946 177.8416 87 F 4.7993 8.0526 112.8079 57.9453 41.1566 176.7490 88 D 4.8833 7.7416 118.9650 54.6511 39.2542 174.0748 89 L 4.5331 8.8507 126.2109 53.7135 44.1067 175.1057 90 R 5.2021 8.4367 125.5924 55.1776 33.0892 173.5161 91 S 4.6396 9.5783 120.6415 57.3139 67.4319 172.9665 92 V 4.7553 8.7642 120.1445 61.0639 34.3717 174.0501 93 V 4.4264 8.6292 128.0075 61.3651 33.4172 174.3496 94 T 4.9125 8.4319 124.5534 61.7286 71.5360 173.3101 95 F 4.9765 9.5109 125.5136 56.1829 41.7861 175.0163 96 T 5.0369 9.0467 119.3673 61.8866 71.7824 172.6991 97 L 5.1366 9.2075 127.4186 53.4132 43.6906 176.2566 98 T 4.5668 8.7855 120.5616 60.8342 71.5188 171.8710 99 P 4.7171 0.0000 0.0000 63.0180 32.1369 176.0109 100 T 4.7418 8.7688 112.8330 58.8352 72.1138 173.0695 101 P 4.2124 0.0000 0.0000 65.5653 30.9645 177.7006 102 T 4.5004 8.1032 105.5540 60.7199 70.9930 176.0799 103 G 4.4916 6.5424 114.4191 46.3945 0.0000 175.5822 104 T 5.0052 8.0413 122.2150 62.0195 73.2345 170.8935 105 H 4.9758 9.5429 126.9511 54.9645 31.5530 173.2730 106 L 4.9971 8.6368 128.4497 53.4862 44.4578 175.1463 107 R 5.4515 8.3128 126.0754 53.4617 34.2725 173.0177 *109 E 4.3083 8.5026 116.6613 56.3264 31.3440 174.8944 110 Q 5.4665 9.2268 125.9887 53.4725 31.5824 174.2373 111 S 5.0626 8.4048 120.8883 56.8762 66.3692 174.3379 112 G 3.9015 8.9966 106.0676 45.8945 0.0000 174.3358 113 F 4.4651 7.9514 120.0793 57.4492 39.4331 175.5268 114 R 4.8429 9.6644 125.2374 54.1237 30.7517 175.9089 115 P 4.3748 0.0000 0.0000 64.7644 31.4125 176.6516 116 D 4.7990 7.9822 117.4973 53.1987 40.3488 176.6963 117 Q 4.7058 7.8226 117.1566 55.0336 29.4065 176.8158 118 R 3.9334 7.9038 120.6279 59.6484 30.4901 179.2872 119 R 3.9645 7.8869 115.7802 58.9763 30.3572 178.5508 120 A 4.2645 7.9368 120.4208 55.0838 18.6378 178.8227 121 Y 2.8209 7.8819 118.0549 60.5675 38.6842 178.6687 122 G 3.5889 7.8486 105.2147 47.5741 0.0000 175.5216 123 G 3.7129 8.0952 107.3391 47.6022 0.0000 175.5405 124 A 4.1967 7.7302 122.6432 54.5514 18.1651 179.5725 125 K 3.8596 7.1334 112.2495 58.0570 32.1746 177.8990 *127 G 4.0490 7.8203 109.4845 45.2845 0.0000 175.6845 128 W 4.0058 8.0491 120.1682 58.9122 28.9761 176.8686 129 P 4.4190 0.0000 0.0000 65.6001 30.8548 178.7050 130 Q 3.9897 7.8174 116.5420 58.8687 28.7277 178.4658 131 F 4.7186 7.6820 118.5487 60.9219 38.9338 177.8512 132 F 4.7221 8.7833 117.7395 60.4842 38.6288 177.6836 133 E 4.0651 8.4100 118.4653 59.5133 29.3457 179.5297 134 K 4.2265 8.2492 117.8161 58.9070 32.0951 179.3846 135 L 3.8653 8.1131 121.1612 58.2101 42.1319 178.8465 136 E 3.9725 8.5277 118.8883 59.2098 29.3281 179.1681 137 Q 3.9818 8.2032 119.8697 58.9382 29.2771 177.9587 138 L 3.9747 8.0027 121.3254 58.3623 41.9936 178.9605 139 L 3.9114 7.6705 117.3065 57.7970 41.7444 179.0483 140 D 4.5838 8.0494 118.8494 57.0979 40.7228 178.6783 141 R 4.2044 8.1081 115.0320 58.0296 29.7017 177.7246 142 T 4.4288 7.4365 108.8914 60.7840 69.4247 173.6330 143 D 4.8354 6.9495 120.4065 52.6743 42.9074 176.2349 144 L 4.1901 8.3754 122.1436 55.2131 41.5721 177.2466 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 8 N 8.28 4.94 0.00 2.86 2.85 0.00 0.00 6.92 6.78 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 9 R 8.61 4.34 0.00 1.44 1.54 0.00 2.69 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 10 T 8.47 5.12 4.32 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 1.27 0.00 0.00 11 V 9.25 4.19 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 0.82 0.00 0.00 0.40 0.00 0.00 12 V 8.32 4.62 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 0.92 0.00 0.00 13 V 8.24 4.60 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 1.26 0.00 0.00 0.96 0.00 0.00 14 E 8.87 5.02 0.00 1.85 1.74 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 2.20 2.31 0.00 15 R 8.58 4.60 0.00 1.37 1.62 0.00 3.31 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 16 Q 8.59 4.66 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 17 I 8.57 4.41 1.91 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 1.11 0.30 0.91 0.00 0.00 18 S 8.23 4.71 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.55 4.90 0.00 3.10 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.55 0.00 2.45 2.19 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 21 P 0.00 4.28 0.00 2.28 2.37 0.00 3.71 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 2.07 2.06 0.00 22 E 8.18 4.30 0.00 2.11 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 2.41 2.29 0.00 23 K 8.00 3.96 0.00 1.89 2.01 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.52 7.81 24 L 7.76 3.83 0.00 1.77 1.78 0.83 0.64 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 25 W 8.86 4.22 0.00 3.48 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 26 R 8.14 3.87 0.00 2.14 1.99 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 27 A 7.73 4.06 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 28 L 7.28 4.35 0.00 1.26 1.18 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 T 6.99 3.89 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 0.05 0.00 0.00 30 Q 7.94 4.50 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 31 P 0.00 4.24 0.00 2.15 2.10 0.00 3.63 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 32 H 8.23 4.25 0.00 3.30 3.40 0.00 5.52 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.38 4.10 0.00 1.77 1.76 0.70 0.89 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 34 I 8.29 3.22 1.88 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.40 0.00 0.00 35 E 7.81 3.88 0.00 1.92 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 2.25 2.31 0.00 36 E 7.95 4.11 0.00 2.08 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 2.37 2.43 0.00 37 W 7.75 4.80 0.00 3.73 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 38 L 7.28 3.55 0.00 0.27 0.64 -0.35 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.49 4.14 0.00 1.80 1.68 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.32 7.81 41 N 8.42 5.47 0.00 2.72 2.62 0.00 0.00 6.17 8.06 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 42 D 8.31 4.91 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 3.06 0.00 2.16 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 44 K 5.66 3.94 0.00 0.79 1.14 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.02 1.06 7.81 45 P 0.00 4.51 0.00 2.12 2.28 0.00 3.46 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.42 0.00 46 A 7.13 4.65 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 47 V 8.48 3.90 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 0.91 0.00 0.00 1.02 0.00 0.00 48 G 9.35 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 49 H 8.29 4.40 0.00 3.22 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.33 5.15 0.00 1.77 1.85 0.00 3.08 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 51 F 8.68 4.91 0.00 3.41 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 52 N 9.98 5.30 0.00 2.57 2.60 0.00 0.00 7.22 6.89 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 53 I 8.09 4.96 1.45 0.00 0.00 0.75 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 0.79 0.65 0.00 0.00 54 S 8.78 4.92 0.00 3.67 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 55 A 8.05 4.47 0.36 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 56 D 8.55 4.27 0.00 2.74 2.77 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 0.00 0.00 0.00 0.00 57 W 7.54 4.51 0.00 3.49 3.15 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 58 G 7.41 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 0.00 0.00 0.00 0.00 59 G 6.07 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 0.00 0.00 0.00 60 V 7.80 4.84 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 0.58 0.00 0.00 0.77 0.00 0.00 61 L 8.66 4.78 0.00 1.05 1.05 -0.28 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.87 5.01 0.00 2.47 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 0.00 0.00 0.00 63 C 8.80 5.15 0.00 1.23 2.34 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 64 E 9.07 5.15 0.00 1.97 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 2.28 0.00 65 V 9.50 4.20 2.41 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 1.15 0.00 0.00 1.11 0.00 0.00 66 L 9.40 4.68 0.00 1.73 1.77 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.92 4.87 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 68 V 8.41 4.92 2.26 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 1.19 0.00 0.00 1.17 0.00 0.00 69 E 9.83 4.52 0.00 2.01 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 0.00 2.09 2.21 0.00 70 P 0.00 2.97 0.00 1.81 1.64 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 71 N 5.77 3.93 0.00 2.61 2.73 0.00 0.00 6.90 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 72 K 7.84 4.39 0.00 1.65 1.73 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.38 7.81 73 T 7.59 5.40 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 1.37 0.00 0.00 74 L 8.99 5.40 0.00 2.05 1.76 1.36 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.54 5.31 0.00 3.92 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 76 Y 8.47 5.59 0.00 3.36 3.36 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 77 T 9.26 4.59 4.32 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 1.28 0.00 0.00 78 W 9.25 5.29 0.00 3.59 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 79 N 9.11 5.47 0.00 2.74 2.76 0.00 0.00 6.34 6.11 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 80 L 8.99 4.65 0.00 1.67 1.57 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.63 4.79 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 82 H 9.41 4.79 0.00 3.22 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.84 4.03 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 84 D 8.48 4.72 0.00 2.97 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 P 0.00 4.39 0.00 2.27 2.34 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 86 A 9.04 4.12 0.94 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 87 F 8.05 4.80 0.00 2.82 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 88 D 7.74 4.88 0.00 3.24 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 89 L 8.85 4.53 0.00 2.13 1.65 0.93 1.15 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 90 R 8.44 5.20 0.00 1.88 1.72 0.00 3.25 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 91 S 9.58 4.64 0.00 3.71 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.76 4.76 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 0.91 0.00 0.00 0.95 0.00 0.00 93 V 8.63 4.43 1.70 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 -0.08 0.00 0.00 0.58 0.00 0.00 94 T 8.43 4.91 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 1.19 0.00 0.00 95 F 9.51 4.98 0.00 2.97 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 96 T 9.05 5.04 4.27 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 1.24 0.00 0.00 97 L 9.21 5.14 0.00 1.63 1.63 1.22 1.10 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 98 T 8.79 4.57 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 1.19 0.00 0.00 99 P 0.00 4.72 0.00 1.92 1.98 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 100 T 8.77 4.74 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 1.34 0.00 0.00 101 P 0.00 4.21 0.00 2.05 2.16 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 102 T 8.10 4.50 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 1.20 0.00 0.00 103 G 6.54 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 0.00 104 T 8.04 5.01 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 1.25 0.00 0.00 105 H 9.54 4.98 0.00 3.27 3.25 0.00 5.54 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.64 5.00 0.00 1.55 1.14 0.98 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.31 5.45 0.00 1.94 1.76 0.00 3.21 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 *109 E 8.50 4.31 0.00 1.83 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 2.22 2.22 0.00 110 Q 9.23 5.47 0.00 1.69 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 111 S 8.40 5.06 0.00 3.91 3.93 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 0.00 112 G 9.00 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 0.00 113 F 7.95 4.47 0.00 3.52 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 0.00 114 R 9.66 4.84 0.00 1.99 1.99 0.00 3.16 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 115 P 0.00 4.37 0.00 2.15 2.15 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 116 D 7.98 4.80 0.00 2.76 2.77 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 0.00 0.00 0.00 0.00 117 Q 7.82 4.71 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 118 R 7.90 3.93 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 119 R 7.89 3.96 0.00 1.71 2.00 0.00 3.36 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 120 A 7.94 4.26 1.62 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 0.00 0.00 121 Y 7.88 2.82 0.00 2.81 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 0.00 122 G 7.85 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 0.00 123 G 8.10 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.13 3.86 0.00 1.73 1.70 0.00 1.13 0.00 0.00 1.42 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 0.81 7.81 *127 G 7.82 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 0.00 128 W 8.05 4.01 0.00 3.40 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 0.00 129 P 0.00 4.42 0.00 2.16 2.16 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 130 Q 7.82 3.99 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 131 F 7.68 4.72 0.00 3.27 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 0.00 132 F 8.78 4.72 0.00 3.15 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 0.00 133 E 8.41 4.07 0.00 2.32 2.07 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 2.55 2.55 0.00 134 K 8.25 4.23 0.00 2.31 2.09 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.74 7.81 135 L 8.11 3.87 0.00 1.19 1.66 0.10 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 3.97 0.00 2.20 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 2.29 2.43 0.00 137 Q 8.20 3.98 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 138 L 8.00 3.97 0.00 2.00 1.89 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.67 3.91 0.00 1.60 1.13 0.77 0.75 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 0.00 140 D 8.05 4.58 0.00 2.91 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 0.00 141 R 8.11 4.20 0.00 2.00 2.08 0.00 3.08 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 142 T 7.44 4.43 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 1.27 0.00 0.00 143 D 6.95 4.84 0.00 2.91 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 0.00 144 L 8.38 4.19 0.00 1.69 1.58 0.93 0.84 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 * Residues marked with a * may have inaccurate shift predictions.