NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4300 8.3001 120.3264 55.3117 33.4512 174.2248 2 A 4.3478 8.0589 121.6944 50.3838 21.3593 174.0391 3 A 4.1165 9.2283 128.8211 52.1801 20.5179 173.8754 4 K 3.8682 7.7422 119.8950 55.5930 32.1299 175.5367 5 Q 4.9063 8.2670 119.4738 54.6774 32.0810 174.4977 6 G 3.8863 8.0968 107.8530 45.5524 0.0000 173.5820 7 E 4.4865 8.5550 114.9937 54.2268 29.6700 174.7321 8 S 4.7165 7.8131 120.5015 57.7529 64.3781 172.0352 9 D 4.3762 7.9256 132.2102 54.6193 45.2170 175.0248 10 P 4.4154 0.0000 0.0000 62.9790 31.8211 176.2272 11 E 4.7440 8.0947 122.8942 55.0863 30.5253 176.8193 12 R 3.8835 8.5130 120.0021 57.5327 30.8260 176.1119 13 K 3.7157 7.8408 115.7801 57.4908 30.0863 173.6436 14 E 4.6857 7.8875 117.8519 55.0126 32.1805 174.1556 15 T 4.4031 7.8179 109.4722 63.1893 71.1874 174.0542 16 R 3.7960 7.9030 122.5270 55.8947 26.6346 175.0681 17 Q 4.4686 8.0954 117.5433 56.5718 31.2317 176.4437 18 K 4.3976 7.5014 116.5103 55.1768 33.3602 176.0305 19 V 3.7623 7.9386 122.2752 64.2392 32.1597 176.0797 20 D 4.9826 7.6258 117.1378 52.3411 44.1700 173.4155 21 D 5.0287 7.7626 118.5933 53.7376 44.5658 172.6100 22 D 4.4836 8.1927 122.5154 54.1830 42.0438 178.2075 23 R 3.6109 7.9788 119.3579 58.5716 29.9832 176.9379 24 K 4.6747 7.6781 114.8726 56.6629 32.8565 177.0080 25 H 4.6414 8.0517 115.0495 56.8181 32.2863 175.6273 26 E 4.0516 8.8774 119.2019 59.7572 29.0508 179.5842 27 I 3.8589 7.8136 119.1271 63.8900 36.9706 177.8668 28 E 3.8731 8.2321 120.3905 59.1342 29.4907 178.7037 29 A 3.9735 7.9670 120.1793 54.8392 18.4944 179.3169 30 A 3.9467 7.7403 119.3363 55.4509 18.4735 179.9715 31 I 3.6966 7.5348 118.4535 64.3135 37.1620 178.9120 32 V 3.6291 7.5069 119.0610 65.9017 31.1038 178.3718 33 R 3.8736 8.0132 117.8873 59.1686 29.7872 179.2145 34 I 3.7454 7.6507 119.5419 64.7113 37.2321 178.4940 35 M 3.4091 7.9568 119.1635 57.8129 31.4126 178.6528 36 K 3.2678 7.2763 119.1403 58.4727 32.3689 178.1705 37 S 4.4637 7.2385 112.6960 60.1030 63.6412 176.1163 38 R 4.0997 8.6541 120.7404 56.7265 30.3983 176.0393 39 K 4.2827 8.2060 120.5684 55.8086 31.3962 174.3953 40 K 5.0691 7.5483 118.7928 54.9991 34.4018 174.5533 41 M 4.7964 8.4262 124.9033 54.4540 36.5845 174.1562 42 Q 4.2679 8.5875 123.8617 55.9060 30.5730 176.7882 43 H 4.2619 8.7213 118.4896 59.6455 29.7446 176.5265 44 N 4.1728 8.0529 118.2447 56.8106 38.9593 176.7057 45 V 3.4818 7.7634 118.9940 66.0040 31.6215 177.5964 46 L 4.0150 7.9032 119.6977 57.9428 41.9121 179.1958 47 V 3.5506 8.2094 118.4091 66.0337 31.3725 177.9081 48 A 4.0229 8.7221 121.0900 55.0369 18.0087 179.6142 49 E 3.9132 8.0712 116.8071 59.6720 29.7851 179.6305 50 V 3.5446 7.7907 118.1907 66.3745 31.3819 178.2237 51 T 3.8541 8.4009 114.7380 66.2570 68.2795 176.0045 52 Q 4.2233 7.4454 118.6377 57.7742 29.2148 177.6889 53 Q 4.1528 8.1272 118.2852 57.0059 29.6274 176.2467 54 L 4.6712 7.4466 119.3387 54.1112 41.9180 176.8772 55 K 4.8569 7.8549 116.5081 56.4221 34.3480 178.2750 56 A 4.0444 8.0452 120.8644 54.8140 17.8293 177.8581 57 R 4.3252 7.3344 113.7595 56.8718 31.4731 177.3719 58 F 5.0661 7.3522 110.2213 55.4287 41.4186 174.2617 59 L 4.6303 8.2754 120.6012 52.2517 40.4548 174.5434 60 P 4.5763 0.0000 0.0000 62.3387 32.7093 176.5187 61 S 4.8153 8.2856 113.8603 55.6517 64.8954 173.0995 62 P 4.3458 0.0000 0.0000 65.9711 31.0283 178.2314 63 V 3.7420 7.4265 115.5472 67.0650 31.2602 178.3813 64 V 3.7058 7.7343 111.0891 64.3235 31.4567 178.7816 65 I 3.7110 7.6091 119.2030 64.3967 37.1806 178.3256 66 K 4.0419 8.9325 120.4977 59.3843 31.6072 179.3799 67 K 3.9924 8.0273 119.4697 59.3731 32.0277 179.1291 68 R 3.9111 8.4177 118.7960 59.4794 30.0190 179.1929 69 I 3.6264 8.0672 119.8658 64.1700 36.5303 178.0200 70 E 4.0132 8.0484 119.9401 59.1447 29.3254 179.1183 71 G 3.4397 7.7461 105.6312 47.2274 0.0000 175.8648 72 L 4.0748 7.5412 121.3733 57.8338 41.2984 179.5036 73 I 4.3623 7.5909 121.0103 63.9465 36.8347 177.9973 74 E 4.0927 7.6493 118.2347 58.2580 29.4709 177.7575 75 R 4.4420 7.5769 116.8460 55.3054 30.4116 175.6449 76 E 3.6923 7.5868 117.1938 57.6938 28.8207 174.9694 77 Y 4.2395 8.5338 114.8854 59.1401 39.5372 175.8834 78 L 5.0457 7.4610 116.4707 53.3890 46.0111 174.0710 79 A 4.8261 8.2982 119.5956 51.8855 23.0958 175.3815 80 R 5.3873 8.4635 117.4037 54.5663 33.3227 176.4810 81 T 4.3113 8.2248 112.0118 60.8230 69.2775 173.2493 82 P 4.3252 0.0000 0.0000 65.7654 31.4005 177.2092 83 E 4.0084 7.8838 119.3024 57.8163 30.0594 175.6099 84 D 5.0835 7.7114 117.9346 52.4314 44.1886 176.6821 85 R 4.1919 8.3317 119.9404 58.7095 31.0656 179.0395 86 K 3.7901 7.9222 116.9605 58.9826 33.3526 177.5038 87 V 3.9833 7.2112 120.7248 62.5508 32.5159 174.9920 88 Y 5.7971 8.5385 124.4244 56.8105 42.1129 174.6590 89 T 5.0005 9.0587 110.2823 60.5743 72.4376 172.6429 90 Y 4.6128 9.2236 128.5218 57.5671 39.4855 176.0616 91 V 4.3263 7.7703 120.2137 60.9494 33.5396 175.4391 *92 A 3.7176 6.6760 128.7291 52.3174 18.6856 177.4229 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 M 8.30 4.43 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 8.06 4.35 1.21 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 3 A 9.23 4.12 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 4 K 7.74 3.87 0.00 1.92 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.44 7.81 5 Q 8.27 4.91 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 6 G 8.10 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 7 E 8.55 4.49 0.00 2.03 1.93 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 2.15 2.25 0.00 8 S 7.81 4.72 0.00 3.84 3.78 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 D 7.93 4.38 0.00 2.65 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 10 P 0.00 4.42 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 11 E 8.09 4.74 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 12 R 8.51 3.88 0.00 1.81 1.93 0.00 3.44 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 13 K 7.84 3.72 0.00 1.89 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.46 7.81 14 E 7.89 4.69 0.00 1.95 1.81 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 2.20 2.26 0.00 15 T 7.82 4.40 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 1.21 0.00 0.00 16 R 7.90 3.80 0.00 1.98 2.00 0.00 3.23 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 17 Q 8.10 4.47 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 18 K 7.50 4.40 0.00 1.67 1.68 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.40 7.81 19 V 7.94 3.76 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 0.78 0.00 0.00 0.92 0.00 0.00 20 D 7.63 4.98 0.00 2.63 2.52 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 21 D 7.76 5.03 0.00 2.55 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 22 D 8.19 4.48 0.00 3.05 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 23 R 7.98 3.61 0.00 1.57 1.88 0.00 3.17 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.00 24 K 7.68 4.67 0.00 1.99 1.79 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 25 H 8.05 4.64 0.00 3.19 3.24 0.00 5.64 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 26 E 8.88 4.05 0.00 2.25 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 0.00 2.43 2.43 0.00 27 I 7.81 3.86 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 0.93 0.00 0.00 28 E 8.23 3.87 0.00 1.95 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 2.15 2.18 0.00 29 A 7.97 3.97 1.33 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 0.00 0.00 30 A 7.74 3.95 1.36 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 31 I 7.53 3.70 1.95 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 1.41 1.01 0.90 0.00 0.00 32 V 7.51 3.63 2.19 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 1.11 0.00 0.00 0.86 0.00 0.00 33 R 8.01 3.87 0.00 2.02 1.92 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 34 I 7.65 3.75 1.83 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 1.49 1.05 0.89 0.00 0.00 35 M 7.96 3.41 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.85 0.00 36 K 7.28 3.27 0.00 1.66 1.77 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 S 7.24 4.46 0.00 3.87 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 38 R 8.65 4.10 0.00 1.73 1.98 0.00 3.27 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 39 K 8.21 4.28 0.00 2.01 1.97 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.54 7.81 40 K 7.55 5.07 0.00 1.78 1.70 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.62 7.81 41 M 8.43 4.80 0.00 2.22 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 42 Q 8.59 4.27 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 43 H 8.72 4.26 0.00 3.21 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.05 4.17 0.00 2.76 2.78 0.00 0.00 6.66 7.69 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 45 V 7.76 3.48 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 0.93 0.00 0.00 0.92 0.00 0.00 46 L 7.90 4.01 0.00 2.15 1.94 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.21 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 48 A 8.72 4.02 1.37 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 49 E 8.07 3.91 0.00 2.28 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 2.32 2.45 0.00 50 V 7.79 3.54 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 1.01 0.00 0.00 0.95 0.00 0.00 51 T 8.40 3.85 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 1.21 0.00 0.00 52 Q 7.45 4.22 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 53 Q 8.13 4.15 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.38 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 54 L 7.45 4.67 0.00 1.46 1.08 0.90 0.85 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 55 K 7.85 4.86 0.00 1.65 1.76 0.00 1.76 0.00 0.00 2.37 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.36 7.81 56 A 8.05 4.04 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 57 R 7.33 4.33 0.00 2.01 2.22 0.00 3.49 0.00 0.00 3.40 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 58 F 7.35 5.07 0.00 3.17 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 59 L 8.28 4.63 0.00 1.66 1.65 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.58 0.00 2.13 1.96 0.00 3.38 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 61 S 8.29 4.82 0.00 3.87 3.74 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 62 P 0.00 4.35 0.00 2.19 2.09 0.00 3.69 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 2.11 2.14 0.00 63 V 7.43 3.74 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 1.13 0.00 0.00 0.95 0.00 0.00 64 V 7.73 3.71 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 0.77 0.00 0.00 1.04 0.00 0.00 65 I 7.61 3.71 1.99 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 0.75 0.95 0.00 0.00 66 K 8.93 4.04 0.00 1.92 1.94 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.75 7.81 67 K 8.03 3.99 0.00 2.01 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 68 R 8.42 3.91 0.00 2.16 1.92 0.00 3.39 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 69 I 8.07 3.63 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.39 0.00 0.00 70 E 8.05 4.01 0.00 2.22 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 2.31 2.37 0.00 71 G 7.75 3.44 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 0.00 72 L 7.54 4.07 0.00 1.76 1.78 0.86 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.59 4.36 1.84 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 1.14 1.03 0.97 0.00 0.00 74 E 7.65 4.09 0.00 1.81 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 2.32 2.49 0.00 75 R 7.58 4.44 0.00 2.31 2.22 0.00 3.52 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 76 E 7.59 3.69 0.00 1.97 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 2.09 2.16 0.00 77 Y 8.53 4.24 0.00 3.00 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 78 L 7.46 5.05 0.00 1.47 1.52 0.80 1.17 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 79 A 8.30 4.83 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 80 R 8.46 5.39 0.00 1.74 1.90 0.00 3.30 0.00 0.00 3.59 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.73 0.00 81 T 8.22 4.31 4.25 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 1.23 0.00 0.00 82 P 0.00 4.33 0.00 2.20 2.23 0.00 3.78 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 1.99 1.96 0.00 83 E 7.88 4.01 0.00 1.93 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 2.29 2.39 0.00 84 D 7.71 5.08 0.00 2.66 2.47 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 0.00 0.00 0.00 0.00 85 R 8.33 4.19 0.00 1.84 1.96 0.00 3.13 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 86 K 7.92 3.79 0.00 1.62 1.75 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.41 7.81 87 V 7.21 3.98 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 1.01 0.00 0.00 0.87 0.00 0.00 88 Y 8.54 5.80 0.00 3.15 2.77 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 89 T 9.06 5.00 4.32 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 1.27 0.00 0.00 90 Y 9.22 4.61 0.00 3.13 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 91 V 7.77 4.33 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 0.65 0.00 0.00 0.89 0.00 0.00 *92 A 6.68 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.