NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5199 8.1927 115.5556 58.3881 65.2249 171.3298 2 V 4.7921 8.2443 118.5083 61.0527 34.3120 173.3372 3 C 4.8920 9.0032 123.4611 57.8186 32.8505 172.6357 4 K 3.9870 8.7710 125.3045 56.8665 32.7223 173.6465 5 G 3.4547 9.3538 122.0996 45.6777 0.0000 172.6600 6 V 4.1037 8.0969 118.8746 59.2202 34.7035 175.0609 7 S 4.4959 8.0625 112.4139 58.6868 65.3370 176.3756 8 G 3.9578 8.8009 112.6892 45.9819 0.0000 172.3743 9 N 5.1096 8.4549 118.5925 50.3620 41.7676 172.6090 10 P 3.4453 0.0000 0.0000 62.4979 32.0348 176.1738 11 A 4.4410 9.7027 125.7535 49.7317 20.8442 176.3742 12 K 4.1097 7.7379 119.3597 57.8028 31.8801 176.8682 13 G 3.9509 9.4389 113.9965 45.3252 0.0000 172.1881 14 E 5.0103 8.0548 118.7234 54.3387 33.4634 175.2108 15 V 4.8167 8.7446 121.4103 61.3393 35.3835 173.9412 16 F 5.5996 9.2641 126.8281 56.0728 41.0296 174.5405 17 L 5.3093 8.9580 124.3547 53.1645 44.4285 175.1031 18 Y 5.1889 9.0297 120.9828 56.0082 40.6522 176.8603 19 K 4.5980 9.4122 125.5851 58.6709 32.8997 176.5844 20 H 5.0809 8.2500 115.3147 53.5054 31.2026 174.3497 21 V 3.8015 7.9679 113.9165 62.1221 31.9356 175.8787 22 N 3.1400 8.6728 115.9618 54.1391 36.2453 174.5457 23 F 2.8634 6.9838 112.7043 58.6908 37.0250 175.2094 24 Q 4.5760 7.5239 116.8734 54.9124 31.5975 176.4425 25 G 3.9236 8.3956 106.4953 44.7415 0.0000 172.7583 26 D 4.2986 8.2427 118.0783 54.7198 41.6863 176.0282 27 S 4.9073 7.5459 115.0610 56.4154 67.1034 172.6453 28 W 5.3279 8.8903 120.0695 55.0132 33.8128 173.8167 29 K 5.0984 9.1907 125.8638 54.9171 33.6472 175.0535 30 V 5.1726 9.3198 127.7152 61.3736 34.5933 174.2514 31 T 5.0021 7.6173 115.6305 59.7057 72.1296 175.6358 32 G 3.9369 8.5749 110.5852 45.4427 0.0000 172.5448 33 N 5.0639 8.5997 115.3583 51.6179 40.7465 174.9517 34 V 4.2633 8.2617 119.3070 61.4983 33.2210 175.3509 35 Y 3.6966 8.2066 125.3677 57.6454 38.6326 174.9341 36 D 4.6045 7.1767 120.8801 53.3683 42.0727 175.1161 37 F 4.1253 9.4501 127.3676 59.9134 39.1386 178.0856 38 R 4.1005 8.3419 119.1850 58.1509 29.9011 177.7587 39 S 4.1313 8.0643 111.9949 59.2888 63.5087 174.0812 40 V 4.0730 7.3913 122.2051 60.5201 32.2322 174.5401 41 S 4.1842 8.7760 122.0986 60.1054 62.3434 174.1325 42 G 4.0094 8.8148 114.2618 46.2992 0.0000 173.7959 43 L 3.2457 7.7116 123.2563 56.5445 42.3955 176.7573 44 N 4.5039 8.0045 115.8595 55.3456 39.2899 173.5133 45 D 4.5612 8.9632 123.8485 55.5817 38.9613 175.3449 46 V 4.9249 7.3434 109.4277 59.8053 34.0059 175.9406 47 V 4.2239 7.8789 121.3181 63.4413 32.0313 176.2920 48 S 4.9434 9.8932 122.6880 58.4769 66.2229 173.9168 49 S 5.2221 8.1703 112.7853 56.8271 66.6553 173.2177 50 V 5.5017 9.0773 119.9470 61.6265 35.6251 173.9523 51 K 5.0829 9.3023 124.0673 54.6679 36.1141 175.2978 52 V 4.4990 8.8545 124.9900 60.8009 34.3855 175.5773 53 G 3.9606 8.5234 115.3097 44.7644 0.0000 170.9202 54 P 4.6843 0.0000 0.0000 62.0957 32.6411 175.7563 55 N 3.2123 8.5328 115.1752 53.8154 36.4571 174.1281 56 T 4.8320 7.2385 111.9590 61.9110 73.5661 173.7874 57 K 5.0855 9.8280 126.9066 54.5532 35.5745 174.5184 58 A 5.3195 8.5366 127.1707 50.1609 22.6803 174.9726 59 F 5.2272 9.4309 119.6450 55.6896 42.2836 174.4998 60 I 4.8114 8.2868 118.2134 59.2240 39.7879 174.7497 61 F 5.2522 9.2154 125.1186 55.4526 41.4634 176.6792 62 K 4.2405 9.2324 123.9032 58.7982 32.6126 176.5467 63 D 4.9407 7.8956 117.8239 51.7240 43.6229 175.0700 64 D 4.5370 8.1733 120.0063 53.4287 40.1688 175.9108 65 R 3.1384 9.3380 116.1030 56.9506 28.0751 176.4348 66 F 2.3000 6.6594 111.5953 58.3653 37.1177 175.0729 67 N 4.8014 7.5873 116.4894 52.1721 41.0217 175.7597 68 G 4.3621 8.5900 108.7842 44.4720 0.0000 172.6182 69 N 4.7224 8.4097 116.7387 54.2171 39.9181 173.9512 70 F 5.6344 8.2623 118.0447 56.6376 40.7955 172.7617 71 I 4.5589 8.0270 111.7048 59.3515 41.3559 173.4892 72 R 4.2391 8.4172 123.1492 54.8520 31.7491 175.1480 73 L 4.7053 8.3493 125.8434 52.7542 44.1755 176.2757 74 E 4.6030 8.7839 123.5208 55.6255 30.4439 176.5900 75 E 4.6974 8.7831 119.3708 56.6656 30.5211 176.3757 76 S 3.8822 8.6030 114.4026 58.6386 61.4598 171.9263 77 S 5.0105 7.4550 112.5218 56.8540 66.5877 172.2409 78 Q 5.2230 8.1865 115.0771 55.4178 31.0189 173.9607 79 V 4.5306 8.7766 121.7563 60.1706 33.3670 176.4744 80 T 3.3998 8.7243 116.7888 63.7131 70.3928 173.6244 81 D 4.8649 7.8303 121.2053 51.5365 42.7736 175.3228 82 L 4.1905 9.2783 128.9957 57.2766 41.4315 179.4176 83 T 3.8631 8.6459 110.9537 65.0387 68.3066 176.0458 84 T 3.9276 7.8130 114.4693 63.7880 67.2815 174.5684 85 R 4.4723 7.7023 118.0383 55.2456 30.9487 174.8528 86 N 4.2545 8.2819 115.1017 54.7139 37.6490 174.1276 87 L 4.8401 7.6594 111.5446 54.0980 43.5354 176.4053 88 N 4.4420 8.4200 116.9451 54.8825 40.1085 174.2500 89 D 4.7171 8.9574 123.2532 53.9811 39.0286 174.7179 90 A 5.3575 7.4790 115.4732 51.8733 23.4084 177.2064 91 I 4.0680 7.8115 117.6565 61.9321 38.0983 176.7044 92 S 4.5353 9.0724 120.0066 57.8612 65.8581 173.2245 93 S 4.7931 6.7438 113.1570 58.0866 66.3678 172.9593 *95 I 4.4131 8.1144 119.1322 61.3977 38.5922 175.2542 96 V 4.8396 9.1273 126.4193 61.3278 33.1689 174.3083 97 A 5.0639 9.2684 130.5620 50.2974 22.0368 174.9634 98 T 4.9099 8.4693 110.3128 59.2947 72.1397 172.3437 99 F 4.8096 7.5969 114.8104 56.4235 40.5803 174.1199 100 E 4.2445 8.9568 117.8704 56.6740 29.5235 176.5220 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 S 8.19 4.52 0.00 3.92 4.11 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 2 V 8.24 4.79 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 0.82 0.00 0.00 0.78 0.00 0.00 3 C 9.00 4.89 0.00 2.88 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 4 K 8.77 3.99 0.00 1.74 1.61 0.00 0.73 0.00 0.00 1.00 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.20 7.81 5 G 9.35 3.45 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 0.00 6 V 8.10 4.10 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 0.00 0.00 0.01 0.00 0.00 0.24 0.00 0.00 7 S 8.06 4.50 0.00 3.72 3.65 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 8 G 8.80 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 0.00 0.00 0.00 9 N 8.45 5.11 0.00 2.63 2.58 0.00 0.00 6.76 8.02 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 10 P 0.00 3.45 0.00 1.70 1.29 0.00 3.34 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 1.61 0.44 0.00 11 A 9.70 4.44 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 12 K 7.74 4.11 0.00 1.62 1.69 0.00 1.51 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.39 7.81 13 G 9.44 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 0.00 0.00 0.00 14 E 8.05 5.01 0.00 1.79 1.83 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 2.23 2.46 0.00 15 V 8.74 4.82 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 0.99 0.00 0.00 0.98 0.00 0.00 16 F 9.26 5.60 0.00 3.06 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 17 L 8.96 5.31 0.00 1.77 1.75 0.91 0.85 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 18 Y 9.03 5.19 0.00 3.09 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 19 K 9.41 4.60 0.00 1.97 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.62 7.81 20 H 8.25 5.08 0.00 3.21 3.17 0.00 5.73 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 21 V 7.97 3.80 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 0.96 0.00 0.00 0.86 0.00 0.00 22 N 8.67 3.14 0.00 2.64 2.67 0.00 0.00 6.99 7.33 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 23 F 6.98 2.86 0.00 2.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 4.58 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.47 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 25 G 8.40 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 26 D 8.24 4.30 0.00 2.34 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 27 S 7.55 4.91 0.00 3.11 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 28 W 8.89 5.33 0.00 3.13 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 29 K 9.19 5.10 0.00 1.70 1.68 0.00 2.06 0.00 0.00 2.06 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.73 7.81 30 V 9.32 5.17 2.15 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 0.98 0.00 0.00 0.88 0.00 0.00 31 T 7.62 5.00 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 1.28 0.00 0.00 32 G 8.57 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 33 N 8.60 5.06 0.00 2.87 2.95 0.00 0.00 6.44 7.68 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 34 V 8.26 4.26 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 1.02 0.00 0.00 0.91 0.00 0.00 35 Y 8.21 3.70 0.00 2.58 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 36 D 7.18 4.60 0.00 2.63 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 37 F 9.45 4.13 0.00 3.02 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 38 R 8.34 4.10 0.00 1.87 1.97 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 39 S 8.06 4.13 0.00 3.85 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 40 V 7.39 4.07 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 0.61 0.00 0.00 0.68 0.00 0.00 41 S 8.78 4.18 0.00 3.88 3.85 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 42 G 8.81 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 43 L 7.71 3.25 0.00 1.16 1.36 -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.00 4.50 0.00 2.75 2.75 0.00 0.00 6.98 8.47 0.00 0.00 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 D 8.96 4.56 0.00 2.96 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 46 V 7.34 4.92 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 1.24 0.00 0.00 1.18 0.00 0.00 47 V 7.88 4.22 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 1.24 0.00 0.00 1.09 0.00 0.00 48 S 9.89 4.94 0.00 3.96 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 49 S 8.17 5.22 0.00 3.82 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 50 V 9.08 5.50 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 1.15 0.00 0.00 1.12 0.00 0.00 51 K 9.30 5.08 0.00 1.92 1.55 0.00 1.80 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.14 7.81 52 V 8.85 4.50 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 0.97 0.00 0.00 0.95 0.00 0.00 53 G 8.52 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 0.00 0.00 0.00 54 P 0.00 4.68 0.00 2.04 2.13 0.00 3.84 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 2.02 1.77 0.00 55 N 8.53 3.21 0.00 2.52 2.30 0.00 0.00 6.64 7.05 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 56 T 7.24 4.83 4.34 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 1.20 0.00 0.00 57 K 9.83 5.09 0.00 2.05 1.81 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.25 7.81 58 A 8.54 5.32 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 59 F 9.43 5.23 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 60 I 8.29 4.81 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 1.04 0.00 0.00 61 F 9.22 5.25 0.00 3.10 3.30 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 0.00 62 K 9.23 4.24 0.00 1.88 1.91 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.44 7.81 63 D 7.90 4.94 0.00 2.75 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 64 D 8.17 4.54 0.00 2.92 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 65 R 9.34 3.14 0.00 1.64 1.78 0.00 3.23 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 66 F 6.66 2.30 0.00 2.68 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 67 N 7.59 4.80 0.00 2.77 2.75 0.00 0.00 7.01 8.92 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 68 G 8.59 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 0.00 0.00 0.00 0.00 69 N 8.41 4.72 0.00 2.90 2.74 0.00 0.00 6.45 7.71 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 70 F 8.26 5.63 0.00 2.35 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 71 I 8.03 4.56 1.78 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 1.19 0.95 0.80 0.00 0.00 72 R 8.42 4.24 0.00 1.82 1.79 0.00 3.18 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.00 73 L 8.35 4.71 0.00 1.46 1.50 0.96 0.83 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 74 E 8.78 4.60 0.00 1.85 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 2.28 2.24 0.00 75 E 8.78 4.70 0.00 2.02 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 0.00 2.35 2.27 0.00 76 S 8.60 3.88 0.00 4.02 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 77 S 7.46 5.01 0.00 3.86 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 78 Q 8.19 5.22 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 79 V 8.78 4.53 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 0.93 0.00 0.00 0.99 0.00 0.00 80 T 8.72 3.40 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 1.14 0.00 0.00 81 D 7.83 4.86 0.00 2.57 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 82 L 9.28 4.19 0.00 1.78 1.76 1.05 0.55 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 83 T 8.65 3.86 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 1.27 0.00 0.00 84 T 7.81 3.93 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 1.28 0.00 0.00 85 R 7.70 4.47 0.00 1.77 1.86 0.00 3.52 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 1.55 1.66 0.00 86 N 8.28 4.25 0.00 2.80 2.83 0.00 0.00 6.83 8.40 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 87 L 7.66 4.84 0.00 1.62 1.59 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.42 4.44 0.00 2.79 2.73 0.00 0.00 7.43 8.47 0.00 0.00 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 8.96 4.72 0.00 2.91 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 90 A 7.48 5.36 1.30 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 0.00 0.00 0.00 91 I 7.81 4.07 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.90 0.53 0.00 0.00 92 S 9.07 4.54 0.00 3.67 3.70 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 0.00 0.00 0.00 0.00 93 S 6.74 4.79 0.00 3.56 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 *95 I 8.11 4.41 2.16 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.40 0.99 0.00 0.00 96 V 9.13 4.84 2.32 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 0.82 0.00 0.00 1.12 0.00 0.00 97 A 9.27 5.06 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 98 T 8.47 4.91 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 1.21 0.00 0.00 99 F 7.60 4.81 0.00 3.00 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 0.00 100 E 8.96 4.24 0.00 2.06 1.95 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 2.32 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.