NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2995 0.0000 0.0000 61.9192 32.3442 175.5631 3 K 3.8846 8.7820 123.2628 55.6033 32.4617 175.0347 4 K 4.0122 9.1694 127.7674 56.6286 34.1555 175.0070 5 V 5.0907 8.1665 122.8163 61.3709 34.5390 174.2870 6 L 4.8433 8.9197 126.6600 53.1258 45.7333 175.3074 7 T 4.8584 7.8794 117.0991 62.0983 71.3529 173.7371 8 G 3.9597 7.9945 111.5426 46.2069 0.0000 171.8004 9 V 4.8608 8.0679 119.2445 60.8601 34.6909 175.5177 10 V 4.2813 8.2421 126.3148 62.6017 31.8534 176.0662 11 V 4.4758 7.8893 120.8355 60.5866 32.4400 175.8356 12 S 4.7899 7.5475 112.6931 58.1056 65.1384 176.0552 13 D 4.8765 8.8443 121.5798 52.9527 41.6488 176.3981 14 K 4.4196 7.4429 121.8064 56.0830 30.7413 175.9919 15 M 4.8444 7.3416 116.1157 54.0606 36.5257 174.9095 16 Q 4.2965 8.5937 119.7156 56.3791 29.7834 176.2663 17 K 4.1003 8.9131 122.0155 57.0708 30.0349 174.2595 18 T 5.0233 7.5747 111.0119 62.7073 73.0253 173.9153 19 V 4.6502 9.0156 116.1707 60.1609 36.8618 174.3736 20 T 4.9501 8.3613 118.8722 61.8532 71.1432 173.6176 21 V 4.7279 8.8610 126.8120 60.8415 33.9485 174.1904 22 L 4.4898 8.7275 131.8631 54.7556 43.4532 175.6684 23 V 4.6015 9.3673 126.6067 61.1754 34.2594 174.4781 24 E 4.9683 8.9030 127.6017 56.2685 30.8882 176.3919 25 R 4.7530 8.6258 117.6870 55.3476 33.1030 174.0408 26 Q 5.2064 8.3560 120.9235 54.2740 31.9627 174.3748 27 F 4.7651 7.7220 111.2006 55.5105 41.3624 171.6396 28 P 4.7373 0.0000 0.0000 62.8461 32.1112 175.6640 29 H 4.4753 8.9036 124.8702 55.3022 30.5913 174.3094 30 P 4.5057 0.0000 0.0000 64.1363 30.9761 175.7589 31 L 4.4057 8.1517 118.5011 56.0049 47.7558 174.5896 32 Y 4.9020 8.0067 113.3391 57.3285 38.6662 175.4035 33 G 4.0198 7.3920 112.5376 44.7407 0.0000 172.8314 34 K 4.3733 7.0703 117.9994 51.6479 34.7980 174.8772 35 V 4.2833 8.3909 127.9091 62.6954 32.5515 174.8520 36 I 4.3925 8.1907 121.6349 58.9266 39.8449 174.8305 37 K 4.6074 8.4985 125.8224 55.8199 33.6586 176.0661 38 R 4.9234 9.0287 124.8271 56.4912 33.8002 173.5569 39 S 5.1656 8.5307 110.1012 58.5136 65.2759 175.0698 40 K 4.4947 8.7949 120.5979 55.4645 35.8067 174.2435 41 K 5.0159 8.3949 125.2098 55.2366 34.1301 175.4180 42 Y 4.5966 8.8006 121.1482 56.2560 41.9130 175.1178 43 L 4.9662 8.8042 123.5804 53.7870 41.4279 175.8644 44 A 4.6107 8.6780 125.9654 51.6086 20.6484 175.4579 45 H 4.8261 8.9714 121.4037 55.3590 31.5592 173.6942 46 D 5.2648 8.4495 126.5926 51.3227 41.1724 174.2880 47 P 4.4026 0.0000 0.0000 63.8502 31.6511 177.4551 48 E 4.4647 7.9052 117.1282 55.4734 30.9020 175.6078 49 E 3.8979 7.7291 118.3539 57.4125 27.4528 175.5785 50 K 4.2238 7.9531 115.6023 56.7777 34.1489 175.7296 51 Y 4.5770 8.2769 119.1684 56.3441 38.8951 175.4164 52 K 4.5370 8.6433 124.4090 54.2524 35.0149 175.7633 53 L 3.8713 8.2901 120.8087 56.9945 42.3519 176.6787 54 G 3.8456 9.3947 113.3956 46.7865 0.0000 172.0870 55 D 5.1938 7.9088 118.2312 51.9781 44.3245 175.7724 56 V 4.4158 8.2922 123.1783 62.5997 32.7621 175.3515 57 V 4.8795 8.6855 120.1607 59.7224 36.5716 173.8271 58 E 4.8682 8.6635 120.3345 54.7847 32.2153 175.5766 59 I 4.8496 8.5495 124.3438 59.4251 40.5325 174.2470 60 I 5.0231 8.4500 126.7977 58.6717 40.6294 174.2703 61 E 3.6046 8.6820 130.0132 57.2551 29.9000 176.1165 62 S 4.6456 7.7267 119.9766 56.6902 67.4419 173.9161 63 R 3.8357 8.5611 122.0066 55.7173 30.3206 174.5069 64 P 4.1216 0.0000 0.0000 63.5098 31.8505 175.6770 65 I 4.2074 8.4446 123.3694 62.6018 38.6495 175.3534 66 S 4.4294 7.2958 111.2332 57.2292 64.7774 172.8569 67 K 4.1050 8.5310 121.5485 56.4226 32.6664 175.9946 68 R 3.5582 8.3418 116.0573 57.0958 29.2016 175.3783 69 K 4.5657 9.1631 118.5976 55.5199 32.7922 176.0004 70 R 4.8253 8.2503 129.1679 54.6059 31.3664 175.4000 71 F 5.0143 7.7829 113.6486 56.7471 43.9720 174.4943 72 R 4.9402 8.7651 119.7614 54.3934 33.9390 175.5984 73 V 4.1790 8.0053 121.3806 61.9116 28.9088 175.6837 74 L 3.6222 8.2620 122.1996 56.0279 42.5188 178.4714 75 R 4.7346 7.4337 113.2428 55.3431 33.3571 173.0776 76 L 4.4861 8.5277 120.9361 54.8196 43.3266 175.0421 77 V 4.4687 8.4421 118.3004 63.2021 32.9301 174.8176 78 E 4.7012 7.7415 115.7518 55.1281 32.9925 173.6254 79 S 4.6224 9.3425 118.0965 60.3045 61.9786 177.6263 80 G 3.8908 7.6818 105.5377 46.3418 0.0000 175.3303 81 R 4.8791 8.0417 129.6009 53.1500 31.4659 177.6393 82 M 4.1483 8.4844 119.9354 58.4882 31.8585 177.2630 83 D 4.4140 7.6452 118.2344 56.9968 39.1844 178.8330 84 L 3.9824 7.7263 120.6910 57.1220 41.7712 179.8444 85 V 3.6724 7.7686 117.2249 66.1951 31.4029 177.1982 86 E 3.9075 9.1374 119.0532 59.7811 29.3573 179.3058 87 K 3.8298 8.2206 117.9256 60.1027 32.2538 178.2297 88 Y 4.2781 8.1696 119.1847 60.9732 38.0531 178.5542 89 L 3.6298 8.4098 119.7321 57.7620 41.8759 179.2853 90 I 3.7548 7.8938 119.9280 64.4197 36.8569 178.0531 91 R 3.6689 7.6046 118.0534 59.7263 30.0810 177.8792 92 R 3.1574 7.5407 117.8324 59.3438 29.6055 178.0707 93 Q 3.8731 9.1306 119.6603 59.4600 28.8902 178.8692 94 N 4.0648 8.9775 117.6503 57.8685 38.5416 178.5092 95 Y 4.1017 7.7711 116.3709 60.6815 38.6623 177.9817 96 E 3.9403 8.2042 120.8274 59.5432 29.7849 179.2883 97 S 4.4634 8.3592 109.8368 59.4406 62.9274 174.3991 98 L 4.6088 8.3882 121.5138 55.3160 43.2703 178.5931 99 S 4.8489 7.2580 117.2720 57.5803 62.5172 177.3815 100 K 4.4403 8.3783 113.3776 55.2773 32.3060 176.6069 *101 R 4.1415 7.7655 120.1225 56.4105 30.0213 177.1088 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 P 0.00 4.30 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.78 3.88 0.00 1.74 1.95 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 K 9.17 4.01 0.00 1.94 1.84 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.50 7.81 5 V 8.17 5.09 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 0.90 0.00 0.00 1.00 0.00 0.00 6 L 8.92 4.84 0.00 1.07 1.18 -0.04 0.32 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 7 T 7.88 4.86 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 1.17 0.00 0.00 8 G 7.99 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 V 8.07 4.86 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 0.99 0.00 0.00 0.90 0.00 0.00 10 V 8.24 4.28 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 0.70 0.00 0.00 1.04 0.00 0.00 11 V 7.89 4.48 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 0.42 0.00 0.00 0.55 0.00 0.00 12 S 7.55 4.79 0.00 3.92 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 13 D 8.84 4.88 0.00 2.79 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 14 K 7.44 4.42 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.34 4.84 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 16 Q 8.59 4.30 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 17 K 8.91 4.10 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 T 7.57 5.02 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 1.37 0.00 0.00 19 V 9.02 4.65 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 0.99 0.00 0.00 0.99 0.00 0.00 20 T 8.36 4.95 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 1.19 0.00 0.00 21 V 8.86 4.73 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 0.85 0.00 0.00 22 L 8.73 4.49 0.00 1.41 1.32 0.86 0.40 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 23 V 9.37 4.60 2.33 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 1.06 0.00 0.00 0.96 0.00 0.00 24 E 8.90 4.97 0.00 1.89 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 2.30 2.30 0.00 25 R 8.63 4.75 0.00 1.96 2.05 0.00 2.86 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 26 Q 8.36 5.21 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 27 F 7.72 4.77 0.00 3.16 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 28 P 0.00 4.74 0.00 2.06 2.10 0.00 3.84 0.00 0.00 3.69 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 29 H 8.90 4.48 0.00 3.40 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.51 0.00 2.18 2.15 0.00 3.55 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 1.86 1.90 0.00 31 L 8.15 4.41 0.00 1.41 1.32 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.01 4.90 0.00 2.66 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 33 G 7.39 4.02 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 0.00 34 K 7.07 4.37 0.00 1.88 1.67 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 V 8.39 4.28 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 0.82 0.00 0.00 0.93 0.00 0.00 36 I 8.19 4.39 1.67 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.89 0.00 0.00 37 K 8.50 4.61 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 38 R 9.03 4.92 0.00 1.94 1.96 0.00 3.36 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 39 S 8.53 5.17 0.00 3.86 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 40 K 8.79 4.49 0.00 1.74 1.63 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.69 1.10 7.81 41 K 8.39 5.02 0.00 1.58 1.63 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.40 7.81 42 Y 8.80 4.60 0.00 2.68 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 43 L 8.80 4.97 0.00 1.75 1.71 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.68 4.61 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 45 H 8.97 4.83 0.00 3.33 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.45 5.26 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.22 2.14 0.00 3.75 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 1.99 2.01 0.00 48 E 7.91 4.46 0.00 1.81 1.90 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 2.20 2.21 0.00 49 E 7.73 3.90 0.00 2.03 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 2.28 2.23 0.00 50 K 7.95 4.22 0.00 1.57 1.71 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.89 0.32 7.81 51 Y 8.28 4.58 0.00 3.10 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 52 K 8.64 4.54 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.51 7.81 53 L 8.29 3.87 0.00 1.63 1.66 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.39 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 0.00 0.00 0.00 55 D 7.91 5.19 0.00 2.62 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 56 V 8.29 4.42 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 0.95 0.00 0.00 0.97 0.00 0.00 57 V 8.69 4.88 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 0.48 0.00 0.00 0.72 0.00 0.00 58 E 8.66 4.87 0.00 1.85 1.76 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 2.17 2.20 0.00 59 I 8.55 4.85 1.47 0.00 0.00 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 0.89 0.86 0.62 0.00 0.00 60 I 8.45 5.02 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.51 1.00 0.00 0.00 61 E 8.68 3.60 0.00 2.10 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 2.11 1.94 0.00 62 S 7.73 4.65 0.00 3.66 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 63 R 8.56 3.84 0.00 1.73 1.81 0.00 3.41 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.12 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 65 I 8.44 4.21 1.82 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 1.21 0.34 0.71 0.00 0.00 66 S 7.30 4.43 0.00 3.93 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 67 K 8.53 4.11 0.00 1.82 1.75 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.43 7.81 68 R 8.34 3.56 0.00 1.87 1.94 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 69 K 9.16 4.57 0.00 1.88 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.69 7.81 70 R 8.25 4.83 0.00 1.74 1.53 0.00 3.35 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 71 F 7.78 5.01 0.00 2.97 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 72 R 8.77 4.94 0.00 1.81 1.85 0.00 3.17 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 73 V 8.01 4.18 1.98 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 -0.17 0.00 0.00 0.85 0.00 0.00 74 L 8.26 3.62 0.00 1.67 1.53 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.43 4.73 0.00 1.92 2.04 0.00 3.02 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 76 L 8.53 4.49 0.00 1.92 1.71 1.10 0.85 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 77 V 8.44 4.47 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 0.85 0.00 0.00 0.88 0.00 0.00 78 E 7.74 4.70 0.00 2.04 1.98 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 2.26 2.31 0.00 79 S 9.34 4.62 0.00 3.87 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 80 G 7.68 3.89 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 0.00 0.00 0.00 81 R 8.04 4.88 0.00 2.14 1.96 0.00 3.40 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 82 M 8.48 4.15 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 83 D 7.65 4.41 0.00 2.97 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 84 L 7.73 3.98 0.00 1.70 1.79 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.77 3.67 2.27 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 0.99 0.00 0.00 1.00 0.00 0.00 86 E 9.14 3.91 0.00 2.07 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 2.51 2.54 0.00 87 K 8.22 3.83 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.64 7.81 88 Y 8.17 4.28 0.00 3.00 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 89 L 8.41 3.63 0.00 1.75 1.62 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.89 3.75 1.81 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 1.62 0.76 0.91 0.00 0.00 91 R 7.60 3.67 0.00 1.84 2.02 0.00 3.27 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 92 R 7.54 3.16 0.00 1.57 1.76 0.00 2.99 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 93 Q 9.13 3.87 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 94 N 8.98 4.06 0.00 2.85 2.75 0.00 0.00 7.02 7.51 0.00 0.00 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 Y 7.77 4.10 0.00 3.12 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 96 E 8.20 3.94 0.00 2.20 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 2.33 2.32 0.00 97 S 8.36 4.46 0.00 3.99 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 98 L 8.39 4.61 0.00 1.76 1.79 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.26 4.85 0.00 3.94 3.26 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 0.00 100 K 8.38 4.44 0.00 1.70 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 *101 R 7.77 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.