NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.8338 8.3501 109.7316 44.9195 0.0000 173.1920 22 A 4.5966 7.6229 121.8320 49.5722 21.5177 175.4691 23 T 4.5121 9.0192 117.9357 63.7356 70.8145 172.5450 24 R 5.3916 9.0795 123.9121 54.5030 34.7055 174.2652 25 I 5.2026 9.1516 120.9329 59.5108 41.8680 173.5628 26 Q 4.3836 8.7770 130.8843 54.5499 30.4717 174.1898 27 I 5.0222 8.8363 126.7752 59.3957 41.3716 174.0710 28 A 5.2718 8.6133 127.6405 50.2816 21.4641 175.4672 29 L 5.0435 8.8166 121.9808 52.9590 45.7621 175.6854 30 K 4.8942 8.4870 121.6978 55.5142 36.0247 173.4961 31 Y 5.2828 8.9239 127.6986 56.0382 41.8047 173.5947 32 D 4.6278 8.2430 127.1959 52.3142 41.7731 176.1404 33 E 3.8999 8.5107 127.7109 58.9148 30.2290 179.0346 34 K 3.8474 8.2285 117.1229 59.6720 32.0356 177.4209 35 N 4.5332 8.3424 112.2888 52.4523 39.2690 175.3856 36 K 3.9181 7.7343 116.7009 55.7977 30.2361 174.6265 37 Q 4.9741 7.8339 116.0890 54.6067 33.0119 175.4651 38 F 5.4430 9.9400 125.3670 57.3800 41.3688 173.9579 39 A 4.7514 8.9471 127.9113 49.9247 21.8890 175.0305 40 I 4.2912 8.1625 122.6407 59.1688 40.6355 174.3990 41 L 4.4754 8.4071 130.3848 53.2831 43.8365 175.7394 42 I 4.0159 8.5266 129.7881 60.6664 37.1482 176.6986 43 I 4.0768 8.6089 129.7481 62.5298 37.1276 176.0478 44 Q 5.1600 7.5447 117.4584 55.1558 32.6833 172.2250 45 L 5.4425 9.4497 122.2095 53.4747 45.1504 175.0199 46 S 4.9134 9.4447 120.0248 56.6660 66.3381 172.9032 47 N 4.7058 8.6841 121.2852 54.6693 37.2308 175.5717 48 L 4.1381 8.0365 120.2372 57.7995 41.9909 177.4862 49 S 4.9070 8.5339 115.1926 60.8493 62.5056 176.2514 50 A 3.7819 7.8430 123.0356 54.1127 18.0596 177.9140 51 L 4.4909 7.3147 115.3463 54.9069 44.3859 176.5052 52 L 4.6290 8.6200 120.7302 53.5430 43.7277 176.1732 53 Q 4.4723 8.7762 124.0392 55.9244 29.1274 175.5129 54 Q 4.5681 7.6922 117.4371 54.4567 29.6042 173.8439 55 Q 4.5089 7.6434 115.8460 55.5119 31.7419 174.2159 56 D 4.7017 8.8387 114.2811 55.0620 38.5394 173.6332 57 Q 4.6606 7.4611 114.9715 54.1001 32.4313 174.4671 58 K 4.5282 8.7742 120.8333 57.1433 33.7486 175.8868 59 V 5.1197 9.0855 122.4599 61.4956 35.3879 173.7843 60 N 5.3867 9.3987 123.5231 51.7760 41.7719 172.7793 61 I 4.7383 8.2390 120.3257 59.7346 39.4780 175.1333 62 R 4.8217 8.8846 127.0400 54.9493 31.9599 175.6797 63 V 4.9724 8.8172 123.2870 61.0371 34.9871 174.0601 64 A 5.0208 9.2237 128.7172 50.4400 22.7026 175.2387 65 V 4.4594 8.7318 123.2148 61.6879 31.3972 174.7794 66 L 4.7562 8.7823 127.7986 52.3115 43.8215 174.7536 67 P 4.5471 0.0000 0.0000 62.4748 32.0211 176.5212 68 C 4.8422 8.5621 121.2885 55.2715 45.2567 173.5332 69 S 4.5256 8.6583 121.9959 58.2841 62.9358 174.5579 70 E 4.4648 7.5667 122.7745 54.1814 29.9519 175.0126 71 S 4.0187 8.5980 120.8490 61.0187 62.9727 176.5296 72 T 4.0139 7.9324 109.7425 63.1607 69.0391 175.1099 73 T 4.4296 7.8893 111.4098 61.7603 70.5588 172.4241 74 C 5.1133 7.8041 115.2435 54.5956 43.6374 172.9595 75 L 5.0523 7.1418 118.1044 53.4967 44.3552 175.7116 76 F 4.7349 9.4890 121.7518 55.8252 43.8090 173.6411 77 R 5.0604 7.9235 119.0869 55.3398 32.8230 174.6942 78 T 4.9521 8.3405 116.5930 60.4289 70.2531 174.5025 79 R 4.3385 9.6810 121.8127 55.5950 30.8274 175.2948 80 P 4.8731 0.0000 0.0000 62.7715 32.2754 175.8565 81 L 4.9176 8.8564 122.0873 52.6910 46.2981 175.7225 82 D 4.7459 8.7543 121.6304 54.1193 41.3672 176.2414 83 A 4.1524 8.1050 124.7186 53.1162 19.0176 176.8093 84 S 4.4121 8.4175 111.5850 57.5577 65.0224 174.9128 85 D 4.6037 8.8705 126.5102 57.7310 41.5603 175.9016 86 T 5.1587 7.8185 112.9343 61.7606 70.5960 173.6291 87 L 4.5940 9.0042 127.6238 53.1565 45.6024 174.9527 88 V 4.4756 8.2151 125.8832 61.7408 32.5010 174.5494 89 F 4.3510 9.1604 126.4728 58.5042 40.1048 177.1382 90 N 4.0859 7.7747 113.1082 54.5325 36.6707 173.9760 91 E 4.6211 7.9672 116.4659 54.3654 32.5289 176.7089 92 V 4.0805 7.7446 123.0499 59.6279 33.8045 174.9237 93 F 4.7381 8.2930 122.1361 55.2782 42.0658 174.2240 94 W 5.2823 8.8035 121.5418 55.0100 32.7116 175.2635 95 V 4.6862 8.9121 121.8577 61.5365 34.4614 174.0492 96 S 4.9070 8.9808 123.6108 57.9122 63.2479 173.4488 *98 S 4.4692 8.5261 120.6241 58.0635 64.3008 174.1849 99 Y 3.2513 8.5370 120.7617 60.2765 38.2889 175.9350 100 P 4.0103 0.0000 0.0000 65.5103 31.6253 178.2160 101 A 3.9781 7.5954 119.4714 54.9780 18.3341 179.1380 102 L 3.4794 7.3971 118.8833 58.7090 41.7830 178.6266 103 H 3.7472 7.4934 116.9621 58.4781 29.6166 175.9292 104 Q 4.2931 7.3648 116.6254 55.2064 29.4626 175.5597 105 K 4.5882 7.4151 121.7030 56.2890 34.3204 175.6897 106 T 4.8825 8.8479 117.7800 61.7612 72.7512 172.9587 107 L 4.8966 9.3378 128.7316 53.7588 43.9041 174.8507 108 R 4.9675 9.3302 128.0475 54.7671 32.1392 174.9181 109 V 4.9506 8.6767 125.9111 61.2592 34.3882 173.8959 110 D 5.3836 9.0239 126.3836 52.5252 45.6219 174.6192 111 V 4.7133 8.9682 122.4303 60.5754 33.2643 174.2996 112 C 5.5648 9.1247 122.2282 55.2272 45.8042 172.8359 113 T 5.1803 8.9997 114.4184 60.7683 71.0396 172.4463 114 T 5.1936 8.5351 122.2897 61.8113 71.4173 174.3282 115 D 4.7238 8.7713 125.9899 52.0087 41.1643 177.3029 116 R 3.9631 8.4559 117.2273 58.7714 29.2009 177.8828 117 S 4.5328 8.7895 113.9626 58.3288 62.8973 174.8719 118 H 4.1078 8.0946 115.6775 56.1013 26.6599 174.1504 119 L 4.3643 7.5924 123.6111 54.4756 43.0329 175.0658 120 E 5.1173 8.7515 127.1240 54.7944 31.6071 174.5201 121 E 4.6658 9.0584 126.4103 54.8178 33.2670 173.0756 122 C 5.0962 8.8943 124.3419 55.8660 41.0486 173.7296 123 L 4.0832 8.7786 124.1702 55.9936 42.4309 176.7448 124 G 4.0135 7.6111 103.3632 46.4115 0.0000 173.0361 125 G 4.2718 8.2456 105.4532 47.0306 0.0000 171.8394 126 A 5.0660 9.0269 120.0888 50.7078 23.2332 175.7163 127 Q 4.9065 8.6614 118.4285 54.2350 31.1514 175.1798 128 I 4.4526 8.6684 125.9005 59.1173 39.6999 175.2699 129 S 4.3833 8.8231 122.6528 58.1302 62.9759 173.6173 130 L 4.5304 8.3540 125.2674 54.5774 41.5965 178.0181 131 A 4.0388 7.6498 121.9733 53.8129 18.2426 178.7021 132 E 4.6084 7.8425 113.4712 55.6000 30.5485 176.3467 133 V 3.7927 7.4627 120.4030 62.7529 32.2292 175.3630 134 C 4.3772 8.7804 125.1645 59.5378 28.4561 174.6524 135 R 3.9657 8.5457 125.9518 59.2429 29.7407 177.3278 136 S 4.2561 7.8899 109.6992 59.0633 63.0986 174.7925 137 G 4.0709 8.0812 110.5445 44.6258 0.0000 174.0974 138 E 4.0715 7.9499 119.5174 56.4964 29.9974 176.6506 139 R 4.7975 8.3958 119.9857 55.5772 31.2754 175.6336 140 S 4.9319 9.0116 115.2264 57.0672 66.4124 173.4285 141 T 4.9463 8.3354 117.3845 62.4238 71.4913 173.1624 142 R 4.6503 8.8799 124.6133 54.3350 35.2949 174.1241 143 W 5.1570 8.4305 119.6962 55.5609 31.1632 175.6000 144 Y 4.9295 9.1680 120.3855 56.3385 41.7379 174.4010 145 N 5.1192 9.0651 120.5531 52.9815 39.9950 174.5710 146 L 4.7539 8.7976 123.7227 53.5260 43.1981 176.2722 147 L 4.5189 8.7022 124.5215 53.7023 44.9752 177.5233 148 S 4.1956 8.5102 114.7661 59.3510 62.6013 171.0849 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 21 G 8.35 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 22 A 7.62 4.60 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 23 T 9.02 4.51 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 1.36 0.00 0.00 24 R 9.08 5.39 0.00 1.84 2.17 0.00 2.96 0.00 0.00 2.95 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 25 I 9.15 5.20 1.99 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 1.12 1.96 1.09 0.00 0.00 26 Q 8.78 4.38 0.00 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 1.74 1.34 0.00 27 I 8.84 5.02 1.95 0.00 0.00 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 1.09 0.72 0.84 0.00 0.00 28 A 8.61 5.27 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 29 L 8.82 5.04 0.00 1.66 1.71 1.06 0.58 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 30 K 8.49 4.89 0.00 1.82 1.53 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.60 7.81 31 Y 8.92 5.28 0.00 3.39 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 32 D 8.24 4.63 0.00 2.71 2.53 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 33 E 8.51 3.90 0.00 2.23 1.96 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 2.44 2.50 0.00 34 K 8.23 3.85 0.00 1.92 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 35 N 8.34 4.53 0.00 2.66 2.78 0.00 0.00 7.37 6.92 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 36 K 7.73 3.92 0.00 1.94 1.95 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.43 7.81 37 Q 7.83 4.97 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 38 F 9.94 5.44 0.00 3.31 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 39 A 8.95 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.16 4.29 1.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.00 0.76 0.00 0.00 41 L 8.41 4.48 0.00 1.44 1.44 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.53 4.02 1.76 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 1.23 0.90 0.74 0.00 0.00 43 I 8.61 4.08 1.81 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 1.16 0.93 0.88 0.00 0.00 44 Q 7.54 5.16 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.10 2.51 0.00 45 L 9.45 5.44 0.00 2.01 1.77 1.10 1.07 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 46 S 9.44 4.91 0.00 3.99 3.66 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 47 N 8.68 4.71 0.00 2.95 2.90 0.00 0.00 6.73 6.66 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 48 L 8.04 4.14 0.00 1.89 1.79 0.99 0.97 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 49 S 8.53 4.91 0.00 4.13 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 0.00 50 A 7.84 3.78 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 51 L 7.31 4.49 0.00 1.59 1.71 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.62 4.63 0.00 1.64 1.51 0.98 0.63 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 53 Q 8.78 4.47 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 54 Q 7.69 4.57 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 55 Q 7.64 4.51 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.37 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 56 D 8.84 4.70 0.00 2.81 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 57 Q 7.46 4.66 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 58 K 8.77 4.53 0.00 1.74 1.83 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.43 7.81 59 V 9.09 5.12 2.31 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 1.15 0.00 0.00 0.99 0.00 0.00 60 N 9.40 5.39 0.00 2.92 2.95 0.00 0.00 6.68 8.64 0.00 0.00 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 I 8.24 4.74 1.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.22 0.83 0.00 0.00 62 R 8.88 4.82 0.00 1.69 1.79 0.00 3.21 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 63 V 8.82 4.97 1.94 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 0.95 0.00 0.00 0.90 0.00 0.00 64 A 9.22 5.02 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 65 V 8.73 4.46 2.21 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 0.81 0.00 0.00 1.26 0.00 0.00 66 L 8.78 4.76 0.00 1.59 1.52 0.90 0.93 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 67 P 0.00 4.55 0.00 2.01 1.95 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 68 C 8.56 4.84 0.00 3.06 2.90 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 69 S 8.66 4.53 0.00 3.87 3.84 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 70 E 7.57 4.46 0.00 1.96 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 2.25 2.39 0.00 71 S 8.60 4.02 0.00 3.92 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 72 T 7.93 4.01 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 1.17 0.00 0.00 73 T 7.89 4.43 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 74 C 7.80 5.11 0.00 3.11 3.33 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 75 L 7.14 5.05 0.00 1.41 1.39 0.83 0.72 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 76 F 9.49 4.73 0.00 1.89 1.52 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 77 R 7.92 5.06 0.00 1.71 1.72 0.00 3.25 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 78 T 8.34 4.95 4.52 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 1.22 0.00 0.00 79 R 9.68 4.34 0.00 1.88 1.99 0.00 3.49 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 80 P 0.00 4.87 0.00 1.99 2.04 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 81 L 8.86 4.92 0.00 1.48 1.37 0.01 0.75 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 82 D 8.75 4.75 0.00 2.55 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 83 A 8.11 4.15 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 84 S 8.42 4.41 0.00 3.81 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 85 D 8.87 4.60 0.00 2.85 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 86 T 7.82 5.16 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 1.27 0.00 0.00 87 L 9.00 4.59 0.00 1.74 1.41 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.22 4.48 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 0.84 0.00 0.00 0.92 0.00 0.00 89 F 9.16 4.35 0.00 3.10 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 90 N 7.77 4.09 0.00 2.81 2.80 0.00 0.00 6.98 7.00 0.00 0.00 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 E 7.97 4.62 0.00 1.74 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 2.14 2.40 0.00 92 V 7.74 4.08 1.58 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 0.52 0.00 0.00 -0.47 0.00 0.00 93 F 8.29 4.74 0.00 2.15 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 94 W 8.80 5.28 0.00 3.13 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 95 V 8.91 4.69 2.46 0.00 0.00 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 1.44 0.00 0.00 96 S 8.98 4.91 0.00 4.02 3.84 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 *98 S 8.53 4.47 0.00 4.15 4.10 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 99 Y 8.54 3.25 0.00 2.94 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 0.00 100 P 0.00 4.01 0.00 2.02 2.10 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 101 A 7.60 3.98 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 0.00 102 L 7.40 3.48 0.00 1.32 1.21 -0.39 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 103 H 7.49 3.75 0.00 2.16 3.11 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 7.36 4.29 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 105 K 7.42 4.59 0.00 1.55 1.74 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.40 7.81 106 T 8.85 4.88 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 1.24 0.00 0.00 107 L 9.34 4.90 0.00 1.73 1.47 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.33 4.97 0.00 1.90 1.75 0.00 3.30 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 109 V 8.68 4.95 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 0.82 0.00 0.00 0.82 0.00 0.00 110 D 9.02 5.38 0.00 2.56 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.97 4.71 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 0.86 0.00 0.00 0.99 0.00 0.00 112 C 9.12 5.56 0.00 2.86 3.11 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 0.00 113 T 9.00 5.18 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 1.23 0.00 0.00 114 T 8.54 5.19 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 1.26 0.00 0.00 115 D 8.77 4.72 0.00 2.90 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 0.00 116 R 8.46 3.96 0.00 1.81 2.02 0.00 3.18 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 117 S 8.79 4.53 0.00 3.95 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 0.00 118 H 8.09 4.11 0.00 3.37 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.59 4.36 0.00 1.98 1.93 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.75 5.12 0.00 2.02 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 2.22 2.43 0.00 121 E 9.06 4.67 0.00 2.03 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 0.00 2.20 2.27 0.00 122 C 8.89 5.10 0.00 2.89 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 0.00 123 L 8.78 4.08 0.00 1.64 1.73 0.94 1.20 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 0.00 124 G 7.61 4.01 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 0.00 125 G 8.25 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 0.00 0.00 0.00 0.00 126 A 9.03 5.07 1.26 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 0.00 127 Q 8.66 4.91 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 128 I 8.67 4.45 1.69 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.84 0.82 0.00 0.00 129 S 8.82 4.38 0.00 3.87 3.77 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 0.00 130 L 8.35 4.53 0.00 1.70 1.39 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.65 4.04 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 0.00 132 E 7.84 4.61 0.00 2.00 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 2.25 2.28 0.00 133 V 7.46 3.79 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 1.03 0.00 0.00 1.07 0.00 0.00 134 C 8.78 4.38 0.00 3.12 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 0.00 135 R 8.55 3.97 0.00 0.67 1.52 0.00 3.17 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 136 S 7.89 4.26 0.00 4.02 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 0.00 137 G 8.08 4.07 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 0.00 0.00 0.00 138 E 7.95 4.07 0.00 1.99 1.94 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 2.34 2.38 0.00 139 R 8.40 4.80 0.00 1.88 1.93 0.00 2.96 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 140 S 9.01 4.93 0.00 3.92 4.04 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 0.00 141 T 8.34 4.95 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 0.00 142 R 8.88 4.65 0.00 1.23 1.34 0.00 3.13 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 143 W 8.43 5.16 0.00 3.04 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 0.00 144 Y 9.17 4.93 0.00 2.94 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 0.00 145 N 9.07 5.12 0.00 2.68 2.80 0.00 0.00 6.91 7.85 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 0.00 146 L 8.80 4.75 0.00 1.55 1.72 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.70 4.52 0.00 1.61 1.61 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.51 4.20 0.00 4.05 3.91 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.