NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0073 8.1600 109.1215 45.5264 0.0000 175.0667 *2 I 3.8828 8.6189 125.9219 60.7558 40.9908 176.6754 3 T 3.7796 7.9767 111.8236 64.6756 68.3666 176.7151 4 S 4.0072 7.8255 116.7699 61.0971 63.1407 176.3426 5 I 3.6066 7.5952 122.9593 63.9272 36.9467 178.1465 6 A 3.9729 8.2230 121.9866 54.9143 18.1876 179.6234 7 R 2.7012 7.5388 116.7571 59.4599 30.0648 178.7140 8 Q 3.9914 8.0728 117.9221 58.9744 28.6330 178.9792 9 S 4.0962 8.2897 114.2054 61.5034 62.4780 176.3289 10 I 3.8741 7.7936 122.4300 64.4372 36.8009 178.4266 11 I 4.1723 8.0199 120.6409 64.6452 36.9346 178.4995 12 L 4.0101 8.2695 119.8939 57.7705 41.3750 179.7657 13 K 3.9954 8.3446 118.5261 59.7228 31.7773 179.2895 14 C 4.1168 8.1523 116.0247 62.6204 28.0975 175.7819 15 L 3.9404 7.8908 120.0206 57.6806 41.3115 179.2804 16 R 3.9860 7.9871 116.3099 55.8908 30.9398 176.3197 17 Q 2.0000 7.6422 116.5082 56.0758 26.4261 173.0505 18 K 4.4676 6.4731 113.8491 55.7193 36.6259 177.6494 19 S 4.0125 8.7860 115.6561 57.7564 61.8581 168.8708 20 V 4.6657 7.8627 112.4349 59.0845 35.3720 175.2469 21 L 4.2776 8.4248 121.1135 55.2375 41.6152 177.7818 22 V 4.5337 8.6000 115.7945 60.7325 32.9188 175.8522 23 S 4.7371 7.1642 113.7081 56.5801 66.3811 175.5629 24 N 4.5711 8.5592 120.2249 56.3951 38.3874 177.2508 25 Y 4.4008 7.5146 117.9895 61.3501 38.0153 178.4698 26 E 4.1038 8.5612 119.4449 59.2375 29.4798 178.9546 27 L 3.8561 7.8724 120.3584 58.6741 42.1483 178.8198 28 Y 4.1431 8.6988 116.8178 61.1743 37.7408 177.8436 29 Y 4.4149 8.1019 121.4195 60.4887 38.8767 178.2063 30 T 3.6889 8.2244 116.4860 66.4670 68.5848 176.3716 31 A 4.0512 8.2733 123.1025 55.0731 18.4084 179.8484 32 G 2.4747 7.4339 103.8932 47.6390 0.0000 175.8820 33 L 3.6823 7.3712 121.8793 57.0224 41.4282 179.4989 34 A 3.7119 8.1071 121.1492 54.7818 18.2799 179.5592 35 K 3.9514 7.9033 118.0365 59.5156 32.1057 178.8119 36 K 3.7553 7.4416 118.2553 59.8890 32.1803 178.1829 37 C 4.0892 7.8487 115.7438 61.5896 28.1400 175.0349 38 F 5.1254 7.9469 116.5017 56.1528 39.7369 176.2157 39 G 3.9357 8.1545 106.4631 46.2379 0.0000 173.7814 40 I 3.9154 7.7859 119.8095 60.7159 37.7888 177.0090 41 A 4.3938 8.3282 128.9821 50.7765 16.9446 176.5354 42 V 4.6109 7.6695 113.6852 59.3339 34.5547 174.9743 43 D 4.3854 7.7810 118.9362 52.3720 44.7691 176.7525 44 A 3.5430 7.6435 124.3938 54.8940 18.6749 178.6387 45 D 4.5836 6.8710 113.3736 52.5139 37.7293 175.9784 *47 E 4.0703 7.8218 126.0121 55.9629 32.4737 174.0146 48 P 4.2957 0.0000 0.0000 66.0706 31.4466 179.2689 49 K 3.9923 7.9803 116.5618 59.2801 32.0347 179.0060 50 Q 3.9126 7.9975 119.3876 59.0377 29.0351 177.7496 51 L 3.8388 8.0648 121.5879 58.2953 42.0686 178.7908 52 L 3.9393 7.8803 120.0294 57.9098 42.0255 178.3805 53 E 3.8664 8.2780 119.3403 59.3868 28.4085 178.4646 54 E 3.9577 8.2734 119.2124 59.1531 29.5968 178.7340 55 L 4.0268 7.8950 118.9348 58.1429 41.5898 179.6829 56 Q 3.9765 8.3040 116.5064 58.4687 28.6213 178.4294 57 K 4.0296 7.9782 120.1983 58.8025 32.4860 176.8464 58 H 4.9042 7.6886 111.1413 55.0000 30.8845 175.3953 59 I 3.5454 8.1856 116.2733 64.4905 37.2429 178.6152 60 D 4.3441 7.9621 118.2954 55.1542 39.8094 180.1631 61 K 4.3365 7.7592 114.8573 57.2715 32.6409 177.5596 62 V 3.6647 7.0274 112.4855 60.8291 31.9983 175.8090 63 S 4.5446 8.1954 117.1235 55.6634 62.8666 172.0377 64 P 4.7112 0.0000 0.0000 62.4769 31.8770 176.6890 65 A 4.2114 9.3995 124.4238 54.3530 18.8652 176.4563 66 D 4.6044 7.5083 113.7387 51.4324 42.1965 175.8863 67 E 3.9743 8.5972 117.6640 59.5224 29.2809 179.6214 68 Q 3.6036 7.6384 117.6933 58.8429 28.3861 178.2850 69 E 4.2946 8.5497 119.7613 59.3767 29.3719 179.3737 70 K 4.0772 8.1937 119.8282 59.6546 32.1751 178.2694 71 Y 3.9957 7.9870 119.5331 60.2066 38.6475 177.4840 72 L 4.0858 8.0238 119.9029 57.8832 41.4984 179.4869 73 I 3.6824 7.3031 117.4834 64.5064 37.4308 177.6288 74 H 4.0891 7.6966 119.1136 59.2040 29.2718 177.1742 75 L 3.8856 7.7050 120.8835 57.8291 41.3073 179.1577 76 L 4.3253 7.7932 116.2645 56.1036 41.7583 178.5487 77 G 3.9823 7.5454 104.4412 44.7907 0.0000 173.9761 78 N 4.9616 7.5367 118.2510 51.2500 39.3410 171.5323 79 Y 4.6886 7.9861 122.3918 56.5859 42.0731 174.4130 80 E 4.2255 7.7625 123.2967 53.2875 30.1279 172.0231 81 P 4.2936 0.0000 0.0000 61.4401 32.1368 176.1416 82 D 4.8716 8.2716 120.8323 51.6443 41.5678 175.9780 83 D 4.5290 8.4490 116.8546 54.5326 39.6738 176.3829 84 T 3.8552 8.1887 118.5553 64.5521 68.9181 174.7867 85 H 4.7160 8.5424 127.9487 54.3878 30.2363 171.0732 86 D 4.7429 7.4662 121.8243 52.0371 42.0749 177.4269 87 E 3.9948 8.6042 117.3933 59.7347 29.2636 179.5652 88 Q 4.0227 8.2022 118.0933 58.9110 28.4246 178.4782 89 T 4.0588 8.4790 111.0753 64.7595 68.6540 176.7811 90 V 3.5947 7.5482 120.6904 65.5521 31.3493 177.5441 91 E 4.0149 8.1846 117.9067 59.4519 29.5158 178.3873 92 L 4.2780 8.3482 119.2692 57.7612 41.6570 179.2670 93 F 4.3209 8.5165 120.5333 61.5799 39.3875 178.5466 94 H 5.2449 7.7637 116.2071 55.4044 28.3760 177.8058 *96 G 3.3584 8.1136 111.4678 45.3870 0.0000 175.9123 97 E 3.9423 7.9686 118.4083 57.9648 29.7590 178.1349 98 T 4.4062 7.3204 108.3492 60.8716 68.9778 173.3304 99 E 3.8308 7.6985 123.2040 57.5456 29.3745 176.5585 100 E 4.1892 8.5857 125.6332 57.5526 31.0899 176.1419 101 H 4.9237 8.3714 115.7497 53.9580 29.2447 173.4810 102 I 3.3762 7.4216 118.8568 62.1922 38.5758 174.9440 103 W 3.9034 8.1019 125.2315 57.6116 26.5083 173.6103 104 Q 4.5387 7.7266 119.4492 54.1202 29.0600 175.4339 105 V 3.7171 8.6024 126.1693 65.6251 31.8464 176.3841 106 S 4.6390 7.8786 115.3355 57.1772 63.8080 174.0724 107 I 4.0839 8.0405 117.7227 61.0464 37.4812 174.9360 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 8.16 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 *2 I 8.62 3.88 1.58 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.08 0.26 0.00 0.00 3 T 7.98 3.78 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 1.13 0.00 0.00 4 S 7.83 4.01 0.00 4.00 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 5 I 7.60 3.61 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 0.90 0.00 0.00 6 A 8.22 3.97 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 7 R 7.54 2.70 0.00 1.33 1.82 0.00 2.90 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.00 8 Q 8.07 3.99 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 9 S 8.29 4.10 0.00 3.99 4.07 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 10 I 7.79 3.87 2.19 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.13 1.25 0.00 0.00 11 I 8.02 4.17 2.13 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 1.84 1.04 1.13 0.00 0.00 12 L 8.27 4.01 0.00 1.85 1.73 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.34 4.00 0.00 2.08 2.14 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.68 7.81 14 C 8.15 4.12 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 15 L 7.89 3.94 0.00 1.71 1.67 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.99 3.99 0.00 1.61 1.86 0.00 3.43 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 17 Q 7.64 2.00 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 18 K 6.47 4.47 0.00 1.59 1.62 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.28 7.81 19 S 8.79 4.01 0.00 4.06 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 20 V 7.86 4.67 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 0.88 0.00 0.00 1.01 0.00 0.00 21 L 8.42 4.28 0.00 1.32 0.87 0.69 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.60 4.53 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 0.86 0.00 0.00 1.05 0.00 0.00 23 S 7.16 4.74 0.00 4.04 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 24 N 8.56 4.57 0.00 2.67 2.99 0.00 0.00 6.83 7.48 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 25 Y 7.51 4.40 0.00 3.08 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 26 E 8.56 4.10 0.00 2.13 2.01 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 2.41 2.39 0.00 27 L 7.87 3.86 0.00 1.57 2.01 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.70 4.14 0.00 3.21 3.37 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 29 Y 8.10 4.41 0.00 3.14 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 30 T 8.22 3.69 4.42 0.00 0.00 0.00 0.00 0.00 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 31 A 8.27 4.05 1.46 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 0.00 0.00 0.00 32 G 7.43 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 0.00 0.00 0.00 33 L 7.37 3.68 0.00 1.47 1.35 0.45 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.11 3.71 1.50 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 0.00 0.00 35 K 7.90 3.95 0.00 1.83 1.85 0.00 2.05 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.70 7.81 36 K 7.44 3.76 0.00 1.59 1.72 0.00 1.67 0.00 0.00 1.44 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.35 7.81 37 C 7.85 4.09 0.00 1.66 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 0.00 0.00 0.00 38 F 7.95 5.13 0.00 3.07 2.88 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 0.00 0.00 0.00 39 G 8.15 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 40 I 7.79 3.92 1.96 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 1.38 0.71 0.98 0.00 0.00 41 A 8.33 4.39 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 42 V 7.67 4.61 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 0.84 0.00 0.00 1.24 0.00 0.00 43 D 7.78 4.39 0.00 2.54 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.64 3.54 1.09 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 45 D 6.87 4.58 0.00 2.81 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 *47 E 7.82 4.07 0.00 2.03 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 0.00 2.32 2.38 0.00 48 P 0.00 4.30 0.00 2.22 2.28 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 49 K 7.98 3.99 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.06 7.81 50 Q 8.00 3.91 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 51 L 8.06 3.84 0.00 1.65 1.69 0.87 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.88 3.94 0.00 1.84 1.65 1.01 0.89 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 53 E 8.28 3.87 0.00 2.20 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 2.29 2.31 0.00 54 E 8.27 3.96 0.00 2.13 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 2.47 2.45 0.00 55 L 7.90 4.03 0.00 1.93 1.73 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.30 3.98 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 57 K 7.98 4.03 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.08 1.36 7.81 58 H 7.69 4.90 0.00 3.16 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.19 3.55 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 1.23 0.77 0.97 0.00 0.00 60 D 7.96 4.34 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.34 0.00 2.13 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.27 7.81 62 V 7.03 3.66 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.06 0.00 0.00 63 S 8.20 4.54 0.00 3.79 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 64 P 0.00 4.71 0.00 2.50 2.14 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 65 A 9.40 4.21 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.51 4.60 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 67 E 8.60 3.97 0.00 1.93 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 0.00 2.34 2.42 0.00 68 Q 7.64 3.60 0.00 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 1.30 1.82 0.00 69 E 8.55 4.29 0.00 2.20 2.44 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 2.61 2.78 0.00 70 K 8.19 4.08 0.00 1.97 2.03 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 71 Y 7.99 4.00 0.00 3.21 2.94 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 72 L 8.02 4.09 0.00 2.20 1.91 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.30 3.68 1.99 0.00 0.00 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 1.15 0.57 0.86 0.00 0.00 74 H 7.70 4.09 0.00 2.86 2.61 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.71 3.89 0.00 1.86 1.68 1.08 1.03 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 76 L 7.79 4.33 0.00 1.63 1.73 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.55 3.98 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 0.00 0.00 0.00 78 N 7.54 4.96 0.00 2.56 2.64 0.00 0.00 6.87 7.21 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 79 Y 7.99 4.69 0.00 2.84 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 80 E 7.76 4.23 0.00 2.01 1.75 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 2.14 1.87 0.00 81 P 0.00 4.29 0.00 2.03 2.14 0.00 3.48 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 2.02 2.13 0.00 82 D 8.27 4.87 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 83 D 8.45 4.53 0.00 2.80 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 84 T 8.19 3.86 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 0.98 0.00 0.00 85 H 8.54 4.72 0.00 3.03 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.47 4.74 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 3.99 0.00 2.03 2.05 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 0.00 2.39 2.39 0.00 88 Q 8.20 4.02 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 89 T 8.48 4.06 3.05 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 0.00 0.00 0.00 1.03 0.00 0.00 90 V 7.55 3.59 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 1.01 0.00 0.00 0.94 0.00 0.00 91 E 8.18 4.01 0.00 2.12 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 0.00 2.34 2.44 0.00 92 L 8.35 4.28 0.00 2.15 1.98 1.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.52 4.32 0.00 3.42 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 94 H 7.76 5.24 0.00 3.50 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 G 8.11 3.36 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 97 E 7.97 3.94 0.00 2.07 1.92 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 2.59 2.28 0.00 98 T 7.32 4.41 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 1.25 0.00 0.00 99 E 7.70 3.83 0.00 1.82 1.71 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 2.08 2.22 0.00 100 E 8.59 4.19 0.00 1.75 1.73 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 2.18 2.43 0.00 101 H 8.37 4.92 0.00 3.20 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.42 3.38 1.54 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.29 0.77 0.00 0.00 103 W 8.10 3.90 0.00 3.54 3.22 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 0.00 104 Q 7.73 4.54 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 105 V 8.60 3.72 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 0.86 0.00 0.00 0.98 0.00 0.00 106 S 7.88 4.64 0.00 3.88 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 0.00 107 I 8.04 4.08 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.83 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.