NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9127 8.2300 117.6205 52.2568 39.2260 174.5506 3 R 3.7357 8.7138 117.8307 59.1315 29.7744 176.1792 4 Q 4.0241 8.9489 120.1065 59.5609 29.6675 177.5213 5 Q 4.1144 8.2433 118.4646 58.9598 28.6878 178.9208 6 F 4.0799 8.4212 121.9784 61.2984 39.5369 177.3212 7 I 3.8773 8.0906 112.3786 64.0250 37.1771 177.9712 8 D 4.3234 8.0998 120.4708 57.4761 40.7252 177.8047 9 Y 3.9633 8.0761 119.7925 60.6992 38.7828 178.1503 10 A 4.1121 7.8651 121.6438 55.2085 18.3944 179.3822 11 Q 4.1137 7.9852 117.7734 58.9985 28.8573 178.6192 12 K 3.8731 7.5830 118.4465 59.1696 32.5972 179.2546 13 K 3.6198 7.4761 116.3576 58.0404 31.9588 177.2847 14 Y 4.4216 7.2158 113.7128 55.9633 40.5628 174.5608 15 D 5.2437 7.8494 117.1493 54.6847 39.6610 172.9308 16 T 4.6694 8.0299 112.9160 61.4141 70.7550 174.1450 17 K 4.4013 8.4440 127.3015 53.9663 33.4102 174.2066 18 P 3.4877 0.0000 0.0000 62.9942 31.7434 175.2475 19 D 4.7273 8.1034 122.3840 53.0352 43.9721 175.1215 20 H 5.0215 8.3013 117.6139 53.2732 29.0246 171.4145 21 P 4.0738 0.0000 0.0000 64.4524 32.0017 177.1965 22 W 4.6706 8.0461 119.3559 55.4305 29.6972 176.9394 23 E 4.1505 9.0414 122.6060 59.2189 29.4901 178.5690 24 K 3.8686 8.2515 117.8004 58.0742 32.5811 176.6426 25 F 4.4320 7.6796 116.9283 54.2160 38.9401 173.7050 26 P 4.4359 0.0000 0.0000 65.3092 31.7040 178.0804 27 D 4.5865 8.2358 117.2568 57.2047 41.0952 176.8169 28 Y 4.4402 7.8521 115.0832 58.7619 38.3831 175.7405 29 A 4.9901 9.4770 125.9927 50.3608 22.8107 175.2043 30 V 4.6820 8.3533 115.0785 59.4744 35.1571 174.9645 31 F 4.8521 9.0337 121.8524 55.6814 41.8340 174.5980 32 R 5.7528 8.3658 118.9051 53.6228 33.3916 174.1272 33 H 4.9188 8.9218 115.2670 55.2016 29.9399 177.0570 34 S 4.3168 8.8948 115.1167 60.6217 62.8422 174.7475 35 D 4.3939 7.9559 120.3922 55.8590 40.1612 175.8640 36 N 4.5936 8.5920 122.1643 52.9282 38.7026 175.5540 37 D 5.0617 7.9814 116.3745 54.7497 38.7935 173.0965 38 K 4.5367 8.5790 119.2893 55.3953 33.4008 176.7158 39 W 5.1311 9.1752 125.7329 57.2269 29.5421 175.4918 40 Y 5.2739 9.2864 120.1549 56.4505 39.2250 175.1876 41 A 4.9544 7.7635 120.5626 51.2590 23.0743 174.9983 42 L 4.9584 9.0557 124.8682 53.2742 44.7027 175.3709 43 L 4.7945 9.2425 129.2412 53.1433 44.4734 175.0734 *45 D 5.0741 8.6947 121.7702 54.2956 41.9378 174.1955 46 I 4.7524 8.4515 119.2083 57.9831 42.0565 173.1452 47 P 4.4332 0.0000 0.0000 62.1385 32.1022 177.2876 48 A 3.8156 9.1056 126.5104 55.3862 18.0774 179.4001 49 E 3.9753 8.0327 116.5639 59.1102 29.2279 179.3520 50 K 3.8869 7.4718 118.0616 57.8730 32.0470 177.1939 51 I 4.4073 7.2087 111.4733 60.2388 37.8829 175.8848 52 G 4.1785 8.5232 112.9928 46.4552 0.0000 175.0996 53 I 3.8905 7.1905 120.0993 60.5422 39.0000 175.5332 54 N 5.0309 8.4825 127.1545 53.2635 38.8097 170.2707 55 G 3.9175 8.7081 114.1476 45.6085 0.0000 174.2702 56 D 4.6494 8.4657 125.4264 53.2391 39.8307 174.5139 57 K 4.7640 7.3393 120.8392 55.1438 37.1722 177.2165 58 R 4.8621 8.4175 119.6448 55.4123 32.2660 175.9932 59 V 4.5098 8.9449 112.4902 60.1218 36.2987 173.9287 60 D 5.0999 8.5653 122.6521 52.8517 42.5549 175.9117 61 V 4.7064 8.1381 115.6386 59.3375 36.5651 174.3540 62 I 4.7273 8.5035 115.3134 59.2730 40.9828 173.7979 63 D 5.6035 9.0532 125.0324 52.9231 43.1215 175.4756 64 L 5.2564 9.1306 122.3970 52.8270 45.9494 175.3359 65 K 3.8385 8.5767 123.4640 55.2790 33.6555 175.9128 66 V 4.4680 8.0859 119.2994 59.4391 36.4834 174.9213 67 Q 4.1816 8.4729 120.5788 54.8070 28.9931 175.6865 68 P 4.3171 0.0000 0.0000 64.9927 31.0173 177.3273 69 E 4.0897 8.0879 113.8586 57.0259 30.1455 177.2063 70 L 4.6053 8.2772 121.1392 54.4185 42.7969 178.3760 71 V 3.6841 7.3422 118.9424 65.8614 31.1733 178.1193 72 G 3.5817 7.9540 104.1947 47.8105 0.0000 175.4055 73 S 4.2836 7.9422 116.6167 60.9106 63.2459 176.2925 74 L 4.0338 8.2080 123.0279 57.6974 41.2838 179.6689 75 R 4.0501 7.6809 116.0733 58.9471 30.0452 178.6633 76 K 4.1171 7.5187 116.7552 57.4829 32.7789 177.6590 77 K 4.2007 7.8458 119.4804 55.0951 32.7219 174.2712 78 P 4.2305 0.0000 0.0000 63.6523 32.1381 176.6463 79 G 4.0928 8.8465 110.5178 44.7234 0.0000 172.3392 80 I 4.9228 6.6727 119.2376 59.8240 39.1250 174.6583 81 Y 4.8004 9.0367 123.6144 55.0123 42.4317 173.0702 82 P 4.7868 0.0000 0.0000 62.3750 32.1766 176.7381 83 A 4.1560 8.8176 124.5217 52.9773 18.8644 176.1777 84 Y 4.4926 8.8433 123.8081 57.0709 40.2281 175.0725 85 H 3.5333 7.9629 124.2572 56.7688 25.9616 174.3718 *87 N 4.5258 7.9421 116.4797 53.2757 39.6135 174.9632 88 K 4.1213 8.8005 125.1882 59.1961 32.2399 177.8539 89 E 4.2861 8.6994 117.5319 57.8187 29.8901 177.1951 90 H 4.8257 8.3987 113.8089 54.7604 31.8784 173.1890 91 W 5.2505 8.7114 117.1236 54.8797 32.2847 175.2209 92 I 4.8664 8.8923 120.8605 60.0710 41.4992 174.6652 93 T 5.1885 8.7493 121.7069 61.2112 70.9578 173.2198 94 V 4.6917 8.9720 127.6690 61.0574 33.7012 174.3934 95 L 4.4536 8.8428 131.1619 54.5630 42.3190 176.4028 96 L 4.1952 8.6699 127.1699 54.8061 42.6208 176.2939 97 N 4.1866 8.8913 116.2608 54.7042 35.5719 174.0600 98 G 4.3737 7.6045 107.0422 42.7592 0.0000 172.4337 99 P 4.0286 0.0000 0.0000 64.3726 31.4164 176.3804 100 L 4.1396 7.2442 122.1827 54.3756 42.7938 177.1485 101 G 3.7323 8.5102 112.3580 44.2542 0.0000 174.2766 102 A 3.8838 8.5871 125.6188 54.8790 18.3530 180.1607 103 K 3.7129 7.8172 117.3113 59.7526 32.5590 178.4251 104 E 3.9403 8.1187 118.9914 59.3968 29.4154 178.7541 105 I 3.7522 8.2123 120.1740 64.6002 37.1655 177.9884 106 H 4.0782 8.4519 117.6888 58.8720 28.5128 178.0214 107 S 4.2308 8.1083 115.9548 61.4679 62.8313 176.5508 108 L 4.0718 7.9223 122.3734 57.5615 41.3956 179.4564 109 I 3.8754 8.2930 120.2128 64.3707 36.9596 178.1565 110 E 4.3086 8.2705 121.4335 58.9865 29.5859 178.4276 111 D 4.3945 8.6870 119.3275 57.6681 40.6902 178.9418 112 S 4.2838 8.1220 113.7805 60.5585 62.7525 175.7342 113 F 3.8504 8.0692 123.3549 61.4475 39.0294 177.3098 114 Q 3.9662 8.4716 117.8419 58.5951 28.2758 178.1334 115 L 4.1546 7.9570 120.2221 56.7007 42.1246 177.2263 116 T 4.5278 7.0347 106.2437 61.2968 69.4392 173.9254 117 R 3.4772 7.3702 127.9740 56.8697 29.9436 176.0713 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 N 8.23 4.91 0.00 2.95 3.06 0.00 0.00 5.72 6.77 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 3 R 8.71 3.74 0.00 2.17 2.06 0.00 3.39 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 4 Q 8.95 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 5 Q 8.24 4.11 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 6 F 8.42 4.08 0.00 3.12 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 7 I 8.09 3.88 2.22 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.70 1.32 0.00 0.00 8 D 8.10 4.32 0.00 3.01 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 9 Y 8.08 3.96 0.00 3.00 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 10 A 7.87 4.11 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 11 Q 7.99 4.11 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 12 K 7.58 3.87 0.00 1.54 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.55 7.81 13 K 7.48 3.62 0.00 0.79 0.74 0.00 1.17 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.69 0.21 7.81 14 Y 7.22 4.42 0.00 3.08 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 15 D 7.85 5.24 0.00 2.77 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 16 T 8.03 4.67 4.59 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 1.42 0.00 0.00 17 K 8.44 4.40 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 P 0.00 3.49 0.00 1.83 1.62 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 19 D 8.10 4.73 0.00 2.32 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 0.00 0.00 0.00 0.00 20 H 8.30 5.02 0.00 3.01 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.07 0.00 0.60 1.63 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.78 0.00 22 W 8.05 4.67 0.00 3.64 3.25 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 23 E 9.04 4.15 0.00 2.09 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 0.00 2.31 2.30 0.00 24 K 8.25 3.87 0.00 1.80 1.32 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.34 1.46 7.81 25 F 7.68 4.43 0.00 2.64 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 0.00 0.00 0.00 26 P 0.00 4.44 0.00 2.03 2.10 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 27 D 8.24 4.59 0.00 2.91 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 28 Y 7.85 4.44 0.00 3.24 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.48 4.99 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 30 V 8.35 4.68 0.72 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 -0.25 0.00 0.00 0.13 0.00 0.00 31 F 9.03 4.85 0.00 2.27 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 0.00 0.00 0.00 0.00 32 R 8.37 5.75 0.00 2.03 2.15 0.00 2.89 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 33 H 8.92 4.92 0.00 3.36 3.46 0.00 5.81 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 34 S 8.89 4.32 0.00 3.92 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 35 D 7.96 4.39 0.00 2.71 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 36 N 8.59 4.59 0.00 2.81 2.91 0.00 0.00 5.99 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 37 D 7.98 5.06 0.00 2.91 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 38 K 8.58 4.54 0.00 1.95 1.90 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.62 7.81 39 W 9.18 5.13 0.00 3.35 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 40 Y 9.29 5.27 0.00 3.00 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 41 A 7.76 4.95 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 42 L 9.06 4.96 0.00 1.73 1.50 0.85 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.24 4.79 0.00 1.84 1.86 0.67 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *45 D 8.69 5.07 0.00 2.86 2.81 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 46 I 8.45 4.75 1.51 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.49 0.63 0.00 0.00 47 P 0.00 4.43 0.00 2.13 1.98 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 48 A 9.11 3.82 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 49 E 8.03 3.98 0.00 2.17 2.20 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 2.32 2.22 0.00 50 K 7.47 3.89 0.00 1.45 1.39 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.50 7.81 51 I 7.21 4.41 1.58 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.13 0.58 0.00 0.00 52 G 8.52 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 0.00 0.00 0.00 0.00 53 I 7.19 3.89 1.80 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 1.42 1.15 0.71 0.00 0.00 54 N 8.48 5.03 0.00 2.84 2.81 0.00 0.00 6.18 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 55 G 8.71 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 56 D 8.47 4.65 0.00 2.64 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 57 K 7.34 4.76 0.00 1.78 1.81 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.38 7.81 58 R 8.42 4.86 0.00 1.68 1.98 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 59 V 8.94 4.51 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 0.62 0.00 0.00 0.81 0.00 0.00 60 D 8.57 5.10 0.00 2.61 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 61 V 8.14 4.71 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 0.76 0.00 0.00 0.74 0.00 0.00 62 I 8.50 4.73 1.57 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.76 -0.12 0.00 0.00 63 D 9.05 5.60 0.00 2.72 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 64 L 9.13 5.26 0.00 1.70 1.55 1.09 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.58 3.84 0.00 0.79 1.11 0.00 1.30 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.94 0.48 7.81 66 V 8.09 4.47 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 0.70 0.00 0.00 0.94 0.00 0.00 67 Q 8.47 4.18 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 68 P 0.00 4.32 0.00 2.15 2.26 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 69 E 8.09 4.09 0.00 2.09 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 0.00 2.25 2.26 0.00 70 L 8.28 4.61 0.00 1.75 1.70 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.34 3.68 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 1.10 0.00 0.00 0.95 0.00 0.00 72 G 7.95 3.58 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 0.00 0.00 0.00 73 S 7.94 4.28 0.00 4.05 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 0.00 74 L 8.21 4.03 0.00 1.92 1.75 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.68 4.05 0.00 1.86 1.99 0.00 3.20 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 76 K 7.52 4.12 0.00 1.94 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.44 7.81 77 K 7.85 4.20 0.00 1.86 1.67 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.34 7.81 78 P 0.00 4.23 0.00 2.14 2.00 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 79 G 8.85 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 80 I 6.67 4.92 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.92 0.00 0.00 81 Y 9.04 4.80 0.00 2.89 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 82 P 0.00 4.79 0.00 2.04 2.06 0.00 3.89 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 2.11 2.15 0.00 83 A 8.82 4.16 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 84 Y 8.84 4.49 0.00 2.83 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 85 H 7.96 3.53 0.00 2.85 3.12 0.00 5.80 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 N 7.94 4.53 0.00 2.85 3.06 0.00 0.00 7.08 7.36 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 88 K 8.80 4.12 0.00 1.84 1.92 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 89 E 8.70 4.29 0.00 2.21 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 2.31 2.30 0.00 90 H 8.40 4.83 0.00 3.23 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.71 5.25 0.00 3.32 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 92 I 8.89 4.87 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.98 0.00 0.00 93 T 8.75 5.19 4.46 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 1.23 0.00 0.00 94 V 8.97 4.69 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 1.02 0.00 0.00 0.97 0.00 0.00 95 L 8.84 4.45 0.00 1.76 1.83 0.93 1.00 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 96 L 8.67 4.20 0.00 1.68 1.54 0.73 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.89 4.19 0.00 2.98 2.90 0.00 0.00 6.60 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 98 G 7.60 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 0.00 0.00 0.00 0.00 99 P 0.00 4.03 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 100 L 7.24 4.14 0.00 1.53 1.60 0.91 1.06 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 0.00 101 G 8.51 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 0.00 0.00 0.00 102 A 8.59 3.88 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 0.00 103 K 7.82 3.71 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 E 8.12 3.94 0.00 2.09 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 2.37 2.46 0.00 105 I 8.21 3.75 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.94 0.00 0.00 106 H 8.45 4.08 0.00 3.22 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.11 4.23 0.00 4.12 4.16 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 0.00 108 L 7.92 4.07 0.00 1.97 1.81 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.29 3.88 2.31 0.00 0.00 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 1.80 1.27 1.20 0.00 0.00 110 E 8.27 4.31 0.00 2.38 2.30 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 2.41 2.37 0.00 111 D 8.69 4.39 0.00 2.94 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 0.00 112 S 8.12 4.28 0.00 3.97 4.21 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 0.00 113 F 8.07 3.85 0.00 2.71 3.04 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 0.00 114 Q 8.47 3.97 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 115 L 7.96 4.15 0.00 1.88 1.60 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.03 4.53 4.36 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 1.30 0.00 0.00 117 R 7.37 3.48 0.00 1.76 1.70 0.00 3.39 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.