NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7082 8.3129 109.7088 45.4916 0.0000 175.8306 *2 D 4.7001 8.2879 119.5574 52.5926 42.9736 180.3866 3 V 3.5453 7.3025 116.7920 65.6014 31.5632 176.6062 4 F 5.0323 7.6438 116.1345 57.8712 39.6880 177.5677 5 S 4.2105 8.1205 118.4756 61.7010 62.5616 176.1829 6 E 3.9737 8.2081 121.3591 59.2766 29.2955 177.7493 7 Y 4.0433 8.1682 117.9525 60.9236 39.0864 177.7719 8 L 4.1306 8.4337 119.5461 57.8993 41.5683 179.5080 9 A 4.0609 8.0022 119.4771 54.9198 18.3331 179.6346 10 G 3.7905 7.8328 103.3938 46.3056 0.0000 173.7982 11 I 3.8148 7.3087 121.7693 60.4471 36.6617 175.6315 12 A 3.9378 8.5075 129.6656 54.8843 18.5908 177.6605 13 D 4.3958 7.7663 116.6249 53.1972 42.0451 175.1271 14 P 4.1185 0.0000 0.0000 65.5054 31.4799 178.5536 15 F 4.1402 7.8086 117.5517 60.7457 38.9138 177.1734 16 H 3.5499 8.2867 115.9116 58.3765 28.1971 177.7628 17 R 3.8278 8.1146 120.9425 59.4244 29.8300 178.1605 18 E 3.9320 8.1882 118.9865 59.3040 29.5706 178.7593 19 R 4.0127 8.0946 118.6846 59.7764 30.2094 178.5537 20 T 3.9421 8.3335 115.6878 66.7445 68.4223 176.1905 21 E 4.0220 8.6629 121.5961 59.1605 29.5727 178.4457 22 E 4.0059 8.5289 119.6898 59.3281 29.7705 178.9757 23 V 3.8680 8.1419 118.4279 66.1104 31.5113 178.0421 24 L 4.1380 7.9804 118.6963 58.2331 41.4380 179.6131 25 T 4.0228 8.3891 115.9558 66.3534 68.3987 176.4097 26 W 4.1910 8.6500 130.4553 60.5502 30.6378 178.1455 27 I 3.2959 7.9909 119.5827 64.1845 36.0137 178.1234 28 K 3.9919 8.3458 120.6768 59.9497 31.7293 178.4529 29 N 4.3605 8.1378 115.7365 55.8401 38.5576 176.9858 30 K 3.7383 7.4829 120.1393 57.4918 33.7645 176.5802 31 Y 4.6254 7.5562 116.6950 55.5248 37.6558 174.4625 32 P 4.6434 0.0000 0.0000 64.8584 32.1687 178.4419 33 N 4.6428 8.0716 113.9963 53.9136 38.0471 180.7584 34 L 4.4999 7.6451 116.1979 55.9512 42.5861 176.4459 35 H 4.9726 9.6049 120.5195 54.7976 30.7885 174.3087 36 T 4.3485 8.2977 113.2689 60.9138 69.7044 173.9425 37 E 4.6779 8.5079 124.1690 54.6507 33.9460 174.5099 38 I 4.7072 8.3190 123.7215 59.7217 38.9573 175.4623 39 K 4.2224 8.6908 125.9188 55.6593 35.8563 176.4960 40 W 3.8207 8.8431 121.6557 58.4101 26.7475 173.5317 41 N 4.3667 8.4785 110.0173 54.7664 37.3757 173.0891 42 Q 4.5640 8.2415 114.3932 52.5501 31.9735 173.8403 43 P 4.6787 0.0000 0.0000 62.8749 32.9355 175.0466 *45 F 5.1084 8.4193 118.2377 57.7377 40.6652 174.2902 46 T 5.0526 8.8414 112.0650 59.9535 72.8540 172.4767 47 D 4.7213 8.6525 121.2565 54.0974 44.0589 175.2224 48 H 4.0337 9.9630 122.4121 56.4809 27.5292 175.5736 49 G 3.9429 8.3975 107.4050 46.5419 0.0000 173.6268 50 T 4.3304 7.6583 114.6449 59.4177 69.3590 173.3197 51 F 3.8709 7.5041 129.5556 58.4192 39.8708 174.0117 52 I 4.1111 7.4597 127.6327 62.3212 38.7720 175.7850 53 I 4.1084 6.4296 117.8262 59.8494 40.6490 173.3173 54 G 4.5669 8.7082 114.0142 44.8339 0.0000 171.2327 55 F 5.7552 9.0530 118.6816 55.8270 43.2060 174.5761 56 S 4.9920 9.0515 114.1594 57.3860 66.6681 173.1003 57 V 5.2400 8.4518 114.9261 59.8790 34.1602 175.2892 58 S 4.9436 9.1030 118.6611 55.8238 66.0004 175.0954 59 K 3.9956 8.8314 119.1793 59.1108 31.8143 178.4415 60 K 4.6235 7.5902 114.9837 57.1667 33.2233 175.2286 61 H 3.9772 7.8304 113.0130 54.1826 32.4471 172.2906 62 L 4.6269 7.4805 121.7382 53.8111 43.4438 174.9575 63 A 4.8918 9.1692 129.2881 50.8185 20.8712 175.7805 64 V 4.4593 8.8184 122.5580 60.8233 34.5711 174.0901 65 A 5.1741 9.0851 130.3789 48.9122 20.7998 174.0022 66 P 4.7999 0.0000 0.0000 63.0097 32.5887 175.4756 67 E 4.3402 8.5486 117.0954 57.0561 28.9044 175.1538 68 K 4.6489 8.5840 123.0198 59.3882 32.1026 179.1942 69 V 3.6708 7.9085 117.7680 66.4912 31.2980 177.9486 70 T 3.9992 7.9419 114.8532 66.3387 68.3097 176.6918 71 I 3.6211 7.5466 120.6133 64.4686 37.3410 177.9522 72 A 4.1150 8.0371 121.3760 55.3895 17.9916 179.1083 73 H 3.9485 8.1356 115.8374 58.6620 30.0858 177.1051 74 V 4.1625 7.6748 112.7652 60.9618 32.0250 177.4856 75 E 3.6575 7.6556 122.5004 59.5315 29.3621 178.3143 76 D 4.3117 8.0212 118.3031 57.7443 40.8741 178.6255 77 D 4.2759 7.9095 118.6127 57.2560 40.5281 178.6254 78 I 3.6297 7.6717 120.3991 64.2968 37.0780 178.6840 79 V 3.6761 7.8350 119.0882 65.8955 31.1756 177.9247 80 K 3.7736 7.9607 117.0601 59.8005 32.0132 178.8128 81 A 3.8947 7.7081 119.4851 52.9240 18.3154 178.7014 82 G 3.8253 7.6225 104.3297 45.1875 0.0000 173.3340 83 Y 4.4816 6.5926 117.9414 57.8551 38.5224 175.9369 84 D 4.7507 8.9043 123.3632 54.9997 42.5775 174.3381 85 Y 5.3688 8.1701 121.3804 56.4283 40.4065 173.7068 86 T 4.7118 8.6921 111.0190 59.7227 71.7827 174.4034 87 E 4.2164 8.7115 119.0089 59.0246 29.2778 178.5385 88 Q 4.5141 7.6087 116.9541 55.7849 30.9562 174.7229 89 L 4.8716 7.9318 117.1954 54.5205 44.4649 174.4502 90 I 4.9228 8.5915 113.1078 59.2342 40.5207 174.7011 91 R 4.5860 8.5863 123.8846 54.7374 31.6667 176.0242 92 I 3.7148 8.0985 126.9501 58.7018 38.1354 173.9176 93 P 4.7450 0.0000 0.0000 61.5864 31.9560 178.2256 94 W 4.3159 8.6364 122.4961 59.1162 29.2550 176.7079 95 N 4.9875 8.2368 114.7345 52.0932 37.1488 174.2047 96 G 4.2101 7.5874 107.0170 44.4008 0.0000 171.3008 97 P 4.4789 0.0000 0.0000 61.9724 31.9447 176.4426 98 V 3.7443 8.0380 120.3748 62.2112 32.1019 176.3053 99 D 4.5907 8.7764 127.4971 53.4865 40.5115 176.1032 100 Y 3.7138 8.1439 125.1623 60.6156 37.9902 177.9514 101 T 3.9875 8.0739 116.5453 66.6863 68.3931 176.0788 102 L 4.0168 8.0637 120.8024 58.0073 42.1812 178.6458 103 L 4.2474 7.6066 117.4830 57.9149 41.8658 178.8246 104 E 4.5907 8.8911 120.2249 58.7852 29.4916 179.9337 105 K 4.0309 8.0239 115.3176 57.7235 32.0082 178.0267 *107 I 3.9164 7.6313 119.6051 61.1060 39.1062 177.8938 108 E 3.9065 8.4314 120.0440 59.0908 29.1331 179.1696 109 F 4.1777 8.3253 120.7782 61.5031 39.4934 176.9557 110 N 4.1112 8.1837 115.5364 56.2076 38.1380 177.1261 111 I 3.5776 7.5393 120.3776 64.2619 37.6279 177.9838 112 L 4.0190 7.5566 120.3207 58.1622 41.8804 178.3064 113 D 4.0670 8.0137 117.1537 56.5002 41.2999 176.9651 114 K 4.4287 7.9960 116.6929 55.8859 32.4120 177.6774 115 A 3.9019 7.6203 124.7115 55.0627 18.1404 179.0335 116 D 4.6816 7.7726 111.1908 53.8547 41.5006 175.1309 117 C 4.2754 8.0655 119.3473 59.4052 31.4720 173.4478 118 S 4.5581 8.7152 121.3628 58.6050 63.5581 173.8144 119 T 4.6493 7.4016 110.8158 59.7227 71.2095 174.5264 120 F 4.0772 8.7711 123.9268 60.8944 39.6771 175.1014 121 W 5.1433 7.8041 118.8755 54.9771 30.4112 176.5718 122 R 4.0947 8.9987 120.7761 56.8736 30.1832 177.3224 123 K 4.2532 8.5667 119.1756 56.6578 32.3312 176.4398 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 0 G 8.31 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 *2 D 8.29 4.70 0.00 2.64 2.73 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 3 V 7.30 3.55 1.49 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 0.65 0.00 0.00 0.75 0.00 0.00 4 F 7.64 5.03 0.00 3.17 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 5 S 8.12 4.21 0.00 4.01 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 6 E 8.21 3.97 0.00 2.08 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 2.45 2.40 0.00 7 Y 8.17 4.04 0.00 3.12 3.32 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 8 L 8.43 4.13 0.00 1.82 1.76 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.00 4.06 1.34 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 0.00 0.00 10 G 7.83 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 0.00 0.00 0.00 11 I 7.31 3.81 1.86 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 1.00 0.56 0.81 0.00 0.00 12 A 8.51 3.94 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 0.00 0.00 0.00 0.00 0.00 13 D 7.77 4.40 0.00 2.47 2.16 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 14 P 0.00 4.12 0.00 1.84 2.05 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.78 0.00 15 F 7.81 4.14 0.00 3.17 3.13 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 16 H 8.29 3.55 0.00 2.74 1.82 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.11 3.83 0.00 1.86 1.99 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 18 E 8.19 3.93 0.00 2.14 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 0.00 2.37 2.35 0.00 19 R 8.09 4.01 0.00 2.18 2.27 0.00 3.62 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 20 T 8.33 3.94 4.51 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 0.00 0.00 0.00 1.37 0.00 0.00 21 E 8.66 4.02 0.00 2.08 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 0.00 2.39 2.42 0.00 22 E 8.53 4.01 0.00 2.29 2.23 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 2.43 2.40 0.00 23 V 8.14 3.87 1.97 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 0.83 0.00 0.00 0.95 0.00 0.00 24 L 7.98 4.14 0.00 1.84 1.87 0.57 0.28 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 25 T 8.39 4.02 4.41 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 1.30 0.00 0.00 26 W 8.65 4.19 0.00 3.44 3.62 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 I 7.99 3.30 1.63 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.09 -0.18 0.00 0.00 28 K 8.35 3.99 0.00 2.33 2.12 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 N 8.14 4.36 0.00 2.82 2.77 0.00 0.00 7.01 7.60 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 30 K 7.48 3.74 0.00 0.89 0.74 0.00 1.13 0.00 0.00 0.77 0.00 0.00 3.28 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.78 7.81 31 Y 7.56 4.63 0.00 2.89 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 32 P 0.00 4.64 0.00 2.03 2.10 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 1.97 2.13 0.00 33 N 8.07 4.64 0.00 2.74 2.73 0.00 0.00 6.72 7.79 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 34 L 7.65 4.50 0.00 1.86 1.89 0.66 0.80 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 35 H 9.60 4.97 0.00 3.07 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.30 4.35 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 1.10 0.00 0.00 37 E 8.51 4.68 0.00 1.83 1.79 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 2.16 2.32 0.00 38 I 8.32 4.71 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.02 0.96 0.00 0.00 39 K 8.69 4.22 0.00 1.69 0.74 0.00 1.78 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.19 7.81 40 W 8.84 3.82 0.00 3.70 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 41 N 8.48 4.37 0.00 2.95 3.03 0.00 0.00 7.02 7.08 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 42 Q 8.24 4.56 0.00 2.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.66 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 43 P 0.00 4.68 0.00 1.49 1.12 0.00 3.45 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.07 0.00 *45 F 8.42 5.11 0.00 3.04 3.06 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 0.00 0.00 0.00 0.00 46 T 8.84 5.05 4.31 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 1.41 0.00 0.00 47 D 8.65 4.72 0.00 2.61 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 48 H 9.96 4.03 0.00 3.32 3.36 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.40 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 50 T 7.66 4.33 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 1.06 0.00 0.00 51 F 7.50 3.87 0.00 1.51 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.46 4.11 1.80 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 1.06 0.89 0.68 0.00 0.00 53 I 6.43 4.11 1.67 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 0.71 0.42 0.96 0.00 0.00 54 G 8.71 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.05 5.76 0.00 2.86 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 56 S 9.05 4.99 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 57 V 8.45 5.24 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 1.15 0.00 0.00 1.06 0.00 0.00 58 S 9.10 4.94 0.00 3.95 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 59 K 8.83 4.00 0.00 2.10 2.01 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.04 7.81 60 K 7.59 4.62 0.00 1.87 1.91 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 61 H 7.83 3.98 0.00 2.92 3.17 0.00 5.25 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 62 L 7.48 4.63 0.00 0.89 1.03 1.17 1.47 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 63 A 9.17 4.89 1.28 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 0.00 0.00 64 V 8.82 4.46 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 0.81 0.00 0.00 0.96 0.00 0.00 65 A 9.09 5.17 1.34 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 0.00 0.00 66 P 0.00 4.80 0.00 2.13 2.13 0.00 4.02 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 1.93 1.97 0.00 67 E 8.55 4.34 0.00 2.40 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 2.35 2.68 0.00 68 K 8.58 4.65 0.00 1.87 1.80 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 0.94 7.81 69 V 7.91 3.67 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 1.29 0.00 0.00 0.99 0.00 0.00 70 T 7.94 4.00 4.61 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 1.36 0.00 0.00 71 I 7.55 3.62 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.00 0.00 0.00 72 A 8.04 4.11 1.41 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 0.00 0.00 73 H 8.14 3.95 0.00 2.82 3.09 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.67 4.16 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 0.71 0.00 0.00 0.87 0.00 0.00 75 E 7.66 3.66 0.00 2.13 1.87 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 2.26 2.13 0.00 76 D 8.02 4.31 0.00 2.65 2.66 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 77 D 7.91 4.28 0.00 2.78 2.66 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 78 I 7.67 3.63 1.51 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.47 0.00 0.00 79 V 7.84 3.68 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 1.04 0.00 0.00 1.01 0.00 0.00 80 K 7.96 3.77 0.00 1.85 1.82 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 81 A 7.71 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.62 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 83 Y 6.59 4.48 0.00 2.98 2.89 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 84 D 8.90 4.75 0.00 2.83 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 85 Y 8.17 5.37 0.00 3.10 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 86 T 8.69 4.71 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 1.16 0.00 0.00 87 E 8.71 4.22 0.00 2.02 2.03 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 2.40 2.31 0.00 88 Q 7.61 4.51 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 89 L 7.93 4.87 0.00 1.82 1.69 0.88 0.72 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 I 8.59 4.92 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.09 0.87 0.00 0.00 91 R 8.59 4.59 0.00 1.67 1.57 0.00 3.15 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.40 0.00 92 I 8.10 3.71 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.66 0.00 0.00 93 P 0.00 4.75 0.00 2.19 1.98 0.00 4.02 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 94 W 8.64 4.32 0.00 3.29 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 95 N 8.24 4.99 0.00 2.87 2.98 0.00 0.00 5.75 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 96 G 7.59 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 0.00 0.00 0.00 97 P 0.00 4.48 0.00 2.07 2.02 0.00 3.68 0.00 0.00 3.60 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 98 V 8.04 3.74 1.65 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 -0.32 0.00 0.00 0.78 0.00 0.00 99 D 8.78 4.59 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 0.00 100 Y 8.14 3.71 0.00 2.79 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 0.00 101 T 8.07 3.99 4.48 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 1.26 0.00 0.00 102 L 8.06 4.02 0.00 1.80 1.94 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.61 4.25 0.00 2.06 2.11 0.76 1.20 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 0.00 104 E 8.89 4.59 0.00 2.42 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 0.00 2.84 3.11 0.00 105 K 8.02 4.03 0.00 2.11 2.00 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 *107 I 7.63 3.92 1.55 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 1.22 0.55 -0.23 0.00 0.00 108 E 8.43 3.91 0.00 2.16 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 2.49 2.50 0.00 109 F 8.33 4.18 0.00 3.18 3.10 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 0.00 110 N 8.18 4.11 0.00 2.81 2.75 0.00 0.00 7.06 7.40 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 0.00 111 I 7.54 3.58 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.94 0.00 0.00 112 L 7.56 4.02 0.00 1.70 1.75 0.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.01 4.07 0.00 1.58 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 0.00 0.00 0.00 114 K 8.00 4.43 0.00 1.89 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.31 7.81 115 A 7.62 3.90 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 0.00 116 D 7.77 4.68 0.00 2.56 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 0.00 117 C 8.07 4.28 0.00 2.98 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 0.00 118 S 8.72 4.56 0.00 4.04 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 0.00 119 T 7.40 4.65 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 1.27 0.00 0.00 120 F 8.77 4.08 0.00 3.00 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 0.00 121 W 7.80 5.14 0.00 3.35 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 0.00 122 R 9.00 4.09 0.00 1.87 1.94 0.00 3.22 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 1.72 1.95 0.00 123 K 8.57 4.25 0.00 1.78 1.74 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.