NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2498 8.2644 123.5843 51.7266 20.7483 176.6715 3 V 3.8211 7.7139 116.0845 61.8697 32.0879 173.8914 4 R 4.3253 9.4114 127.5676 58.1979 31.8133 176.5376 5 R 4.6434 7.4751 113.3801 54.8010 34.0561 174.2397 6 V 4.3289 8.2766 120.2456 60.9598 33.7215 174.9494 7 V 4.2767 8.2383 125.8843 60.6579 33.7976 174.8092 8 A 4.1974 8.5327 130.1193 51.9780 19.0518 175.9046 9 N 4.8771 8.4813 118.0296 51.3337 41.1579 174.1606 10 I 4.1621 7.9541 123.3601 59.1253 38.8023 175.2171 11 A 4.1328 8.3382 128.9909 52.0709 18.9650 176.3950 12 T 4.5728 7.9001 115.4400 60.2492 70.2127 171.9293 13 P 4.3786 0.0000 0.0000 64.9933 31.7388 176.2654 14 E 4.5768 8.4202 118.5313 52.4988 30.2263 173.3495 15 P 4.3300 0.0000 0.0000 65.1033 31.5646 177.7052 16 A 4.1039 8.7922 119.8556 54.9593 17.7399 179.5237 17 R 4.0745 8.3035 116.0970 58.6049 30.0371 178.7138 18 A 4.6605 8.5423 121.2753 54.8855 18.3079 179.2279 19 Q 4.0072 8.2641 118.1653 59.4268 28.3240 178.3734 20 A 4.2508 7.7078 123.5103 53.6394 18.3136 178.1828 21 F 4.1962 7.9850 116.7033 60.5248 40.6366 177.3390 22 Y 4.1842 8.2879 115.2368 60.9733 37.9728 178.1072 23 G 3.8095 8.0705 106.4717 47.7511 0.0000 175.5526 24 D 4.4117 8.7775 122.1178 56.0218 41.5205 178.9912 25 I 3.8789 7.0179 115.5388 63.3367 37.6033 177.0687 26 L 3.9213 7.5695 117.0584 54.3619 41.7947 173.9698 27 G 3.5347 7.7365 113.7092 44.2867 0.0000 171.2981 *29 P 4.2126 0.0000 0.0000 61.3502 32.5210 176.4353 30 V 3.6836 8.2903 118.2317 63.5528 31.3991 175.4909 31 A 4.2681 8.8601 129.6303 52.5113 19.7356 176.0775 *33 D 4.2612 7.7244 115.8164 54.5298 42.0096 175.0498 34 H 4.8537 8.7697 120.8273 55.4721 30.5932 173.7899 35 G 4.3167 8.0762 107.3326 45.0700 0.0000 175.3649 36 W 4.3776 8.0459 118.4135 58.2170 28.6317 176.0313 37 I 4.4280 6.7288 118.5327 58.9457 40.4479 173.4971 38 V 4.5170 8.0088 125.2946 61.1814 34.4842 174.2923 39 T 4.5374 8.1792 122.7168 62.0977 71.0497 172.7100 40 H 5.2651 8.7697 123.1019 54.6691 30.3696 174.3315 41 A 4.7566 8.7397 122.7747 50.6922 22.4252 175.4981 42 S 4.7035 8.4899 113.5526 56.1017 64.3958 172.5959 43 P 4.4659 0.0000 0.0000 63.8784 31.2243 177.0738 44 L 4.7138 7.9787 121.4742 53.1320 42.9389 181.2073 45 E 4.8267 8.4072 113.8618 54.7446 33.0735 176.0287 46 A 4.7480 8.0635 122.1421 50.6278 22.5112 175.7057 47 H 4.0754 8.7407 116.1636 55.9387 29.1710 175.8243 48 A 4.1679 8.4515 126.6803 52.2787 18.7623 176.7812 49 Q 4.7043 8.2688 119.5426 55.2139 31.6350 174.0001 50 V 4.4057 7.9056 116.4919 60.4424 34.1399 173.8929 51 S 4.5994 7.7948 116.6952 56.6776 66.2320 173.6763 52 F 4.5215 8.2633 119.4971 55.7948 42.1944 174.3943 53 A 4.6697 8.3174 127.3321 50.5497 21.9720 175.9997 54 R 4.0694 8.6433 122.2454 58.6524 30.5459 175.5853 55 E 4.6566 7.5112 113.1899 55.4447 31.7751 175.1456 56 G 4.0967 8.3333 107.2637 45.4179 0.0000 174.8723 57 G 3.7797 8.0691 107.9408 47.2269 0.0000 173.8527 58 S 3.6338 9.7523 116.6710 59.3646 60.4746 173.4481 59 G 3.9272 8.9505 107.4502 45.6116 0.0000 174.7167 60 T 4.0411 7.4213 110.1081 60.7235 69.5072 173.9141 61 D 4.6442 8.3570 121.9349 54.0972 41.4167 176.7327 62 V 3.7275 8.1706 121.9779 62.0037 31.9054 174.3396 63 P 4.2860 0.0000 0.0000 62.5297 31.9828 176.0771 64 D 4.5345 8.7224 121.4720 57.0118 41.2941 176.8979 65 L 4.8717 7.7358 116.2190 52.9059 46.3973 175.6964 66 S 5.1269 8.6967 117.5325 56.8451 65.5640 173.5169 67 I 4.5264 9.1172 125.7324 59.4396 40.0278 174.1617 68 E 5.0010 8.9206 128.8177 55.4751 30.3835 175.7505 69 V 4.5898 8.7478 122.1902 60.3707 34.6666 176.4636 70 D 4.5685 8.9666 122.2543 55.2977 40.4727 177.2589 71 N 5.0102 7.6866 118.2451 50.0438 37.1067 174.3953 72 F 4.0154 8.6058 128.8282 62.3379 39.8781 175.8806 73 D 4.3731 8.2408 117.9313 57.2741 40.5924 178.4504 74 E 3.8963 8.0755 118.6535 59.3903 29.4814 179.3650 75 V 3.4023 7.4608 117.7644 66.0895 31.5654 177.3817 76 H 3.9013 8.0505 117.9809 59.2709 29.5664 177.0035 77 A 3.8686 7.9074 122.3737 55.1848 18.1804 179.8527 78 R 3.7694 7.9935 116.6416 59.2429 29.9917 179.2356 79 I 3.5286 7.8710 119.8877 64.4191 37.1597 178.3740 80 L 3.9460 7.7978 119.5315 57.9444 41.2670 179.9410 81 K 3.9746 8.0621 116.8973 59.0045 32.0272 178.5647 82 A 4.2471 7.6961 119.1550 52.2055 18.4888 178.0159 83 G 3.8124 7.8009 105.1355 45.8900 0.0000 173.5285 84 L 4.3690 7.4753 119.6185 52.6888 42.4444 175.3076 85 P 4.4254 0.0000 0.0000 62.6341 32.1100 175.5571 86 I 4.4221 8.1316 121.9088 60.0927 38.3262 175.7642 87 E 4.3264 9.1186 125.8060 58.5982 30.0677 176.5598 88 Y 4.5493 7.9216 118.3760 57.2468 41.9057 175.4083 89 G 3.3522 7.7555 115.1452 43.5481 0.0000 170.8090 90 P 4.8718 0.0000 0.0000 63.2505 32.1251 176.2269 91 V 4.3791 8.4052 120.0762 60.8799 35.1865 172.9299 92 T 4.6271 8.1675 119.2083 62.5302 69.3871 174.8466 93 E 3.8770 8.6130 126.5803 54.6042 30.7129 176.4199 94 A 4.1203 7.6275 122.0220 53.6675 18.6402 178.1293 95 W 4.8482 7.1491 112.5283 56.1733 28.6803 175.9982 96 G 3.8127 8.1658 104.4011 47.7494 0.0000 174.4526 97 V 4.7407 7.0582 110.5719 59.0730 36.5273 174.6473 98 Q 4.8894 8.4684 121.5572 54.6547 31.0443 174.6564 99 R 5.3937 8.3678 117.1906 55.3484 33.4635 173.4441 100 L 5.4730 9.4685 119.3819 54.4986 44.6437 174.8417 101 F 5.9052 9.5301 118.7431 56.0927 42.2313 174.5855 102 L 5.0727 9.0308 121.5057 54.8347 44.4180 174.3845 103 R 4.9630 8.4974 118.7708 55.2325 31.5359 176.7940 104 D 3.4945 8.5031 123.4328 51.1651 40.7513 175.3827 105 P 3.9859 0.0000 0.0000 64.5482 31.0385 177.3727 106 F 4.6587 7.9985 114.7443 56.9167 39.4854 176.2694 107 G 3.9417 8.1676 109.0793 45.1038 0.0000 174.0353 108 K 4.3199 8.5180 120.0148 55.8503 33.7227 176.0904 109 L 4.5200 9.5192 126.8876 54.4572 43.1908 175.2260 110 I 4.6927 8.7439 128.6725 59.6189 39.6900 174.3824 111 N 5.0192 8.9345 127.1216 52.5055 40.2474 173.5380 112 I 5.1159 9.0262 128.8584 59.8127 39.1469 175.0669 113 L 5.4502 9.0603 126.4650 54.3314 44.7382 176.4715 114 S 4.2869 9.0577 114.2611 58.7423 62.8900 173.5093 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 A 8.26 4.25 1.32 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 0.00 0.00 3 V 7.71 3.82 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 0.85 0.00 0.00 0.95 0.00 0.00 4 R 9.41 4.33 0.00 1.84 1.96 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 5 R 7.48 4.64 0.00 1.74 1.77 0.00 3.13 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 6 V 8.28 4.33 2.08 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 0.80 0.00 0.00 0.95 0.00 0.00 7 V 8.24 4.28 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 0.82 0.00 0.00 0.90 0.00 0.00 8 A 8.53 4.20 1.19 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 0.00 0.00 9 N 8.48 4.88 0.00 2.65 2.67 0.00 0.00 6.87 7.45 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 10 I 7.95 4.16 1.44 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.50 0.00 0.00 11 A 8.34 4.13 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 12 T 7.90 4.57 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 1.01 0.00 0.00 13 P 0.00 4.38 0.00 2.13 2.14 0.00 3.76 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 2.07 2.11 0.00 14 E 8.42 4.58 0.00 2.04 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 2.25 2.39 0.00 15 P 0.00 4.33 0.00 2.20 2.07 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 16 A 8.79 4.10 1.44 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 17 R 8.30 4.07 0.00 2.23 1.88 0.00 3.17 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 18 A 8.54 4.66 1.63 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 0.00 0.00 19 Q 8.26 4.01 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 20 A 7.71 4.25 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.98 4.20 0.00 2.90 2.74 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 22 Y 8.29 4.18 0.00 3.07 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 0.00 23 G 8.07 3.81 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 0.00 0.00 0.00 24 D 8.78 4.41 0.00 2.93 2.69 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 25 I 7.02 3.88 1.51 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.43 0.51 0.00 0.00 26 L 7.57 3.92 0.00 1.82 1.69 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.74 3.53 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 0.00 0.00 0.00 *29 P 0.00 4.21 0.00 2.27 2.27 0.00 4.04 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 30 V 8.29 3.68 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 0.70 0.00 0.00 0.77 0.00 0.00 31 A 8.86 4.27 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 *33 D 7.72 4.26 0.00 2.65 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 34 H 8.77 4.85 0.00 2.73 2.66 0.00 5.89 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 35 G 8.08 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 0.00 0.00 0.00 0.00 36 W 8.05 4.38 0.00 3.48 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 37 I 6.73 4.43 1.07 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.16 -0.64 0.00 0.00 38 V 8.01 4.52 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 0.79 0.00 0.00 0.91 0.00 0.00 39 T 8.18 4.54 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 1.13 0.00 0.00 40 H 8.77 5.27 0.00 2.96 3.28 0.00 5.86 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 41 A 8.74 4.76 1.16 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 0.00 0.00 42 S 8.49 4.70 0.00 3.86 3.77 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 43 P 0.00 4.47 0.00 2.09 2.07 0.00 3.72 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 2.03 2.08 0.00 44 L 7.98 4.71 0.00 1.64 1.43 0.92 0.85 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 45 E 8.41 4.83 0.00 1.93 1.70 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 2.10 1.83 0.00 46 A 8.06 4.75 1.24 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 0.00 0.00 47 H 8.74 4.08 0.00 3.18 3.30 0.00 5.71 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 48 A 8.45 4.17 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 49 Q 8.27 4.70 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 50 V 7.91 4.41 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 0.94 0.00 0.00 0.57 0.00 0.00 51 S 7.79 4.60 0.00 3.62 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 52 F 8.26 4.52 0.00 3.04 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 53 A 8.32 4.67 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 54 R 8.64 4.07 0.00 1.78 1.95 0.00 3.27 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 55 E 7.51 4.66 0.00 2.21 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 2.14 2.23 0.00 56 G 8.33 4.10 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 0.00 0.00 0.00 57 G 8.07 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 0.00 0.00 0.00 58 S 9.75 3.63 0.00 4.14 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 59 G 8.95 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.42 4.04 4.05 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 0.09 0.00 0.00 61 D 8.36 4.64 0.00 2.78 2.69 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 62 V 8.17 3.73 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 0.76 0.00 0.00 0.94 0.00 0.00 63 P 0.00 4.29 0.00 2.07 1.14 0.00 3.78 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 1.82 1.63 0.00 64 D 8.72 4.53 0.00 2.65 2.74 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 65 L 7.74 4.87 0.00 1.58 1.53 1.01 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 66 S 8.70 5.13 0.00 3.71 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 67 I 9.12 4.53 1.96 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 1.00 0.00 0.00 68 E 8.92 5.00 0.00 2.04 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 2.31 2.40 0.00 69 V 8.75 4.59 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 0.73 0.00 0.00 1.05 0.00 0.00 70 D 8.97 4.57 0.00 2.70 2.57 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 71 N 7.69 5.01 0.00 2.83 2.97 0.00 0.00 5.88 8.12 0.00 0.00 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 F 8.61 4.02 0.00 3.19 3.14 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 0.00 0.00 0.00 0.00 73 D 8.24 4.37 0.00 2.77 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 74 E 8.08 3.90 0.00 2.10 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 2.37 2.35 0.00 75 V 7.46 3.40 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 0.88 0.00 0.00 0.86 0.00 0.00 76 H 8.05 3.90 0.00 2.66 3.23 0.00 5.66 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 77 A 7.91 3.87 1.29 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 0.00 0.00 0.00 78 R 7.99 3.77 0.00 1.92 1.86 0.00 3.04 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 79 I 7.87 3.53 1.95 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 1.30 1.35 0.88 0.00 0.00 80 L 7.80 3.95 0.00 1.73 1.65 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.06 3.97 0.00 1.66 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.63 7.81 82 A 7.70 4.25 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 83 G 7.80 3.81 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 0.00 0.00 0.00 84 L 7.48 4.37 0.00 1.62 1.66 1.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.43 0.00 2.21 2.07 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 86 I 8.13 4.42 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 1.08 0.00 0.00 87 E 9.12 4.33 0.00 2.17 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 0.00 2.41 2.35 0.00 88 Y 7.92 4.55 0.00 2.84 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 89 G 7.76 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.87 0.00 2.15 2.30 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.69 0.00 91 V 8.41 4.38 1.77 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 0.35 0.00 0.00 0.77 0.00 0.00 92 T 8.17 4.63 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 1.07 0.00 0.00 93 E 8.61 3.88 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 94 A 7.63 4.12 1.39 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 0.00 0.00 95 W 7.15 4.85 0.00 3.38 3.27 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 96 G 8.17 3.81 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 0.00 0.00 0.00 97 V 7.06 4.74 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 0.90 0.00 0.00 0.68 0.00 0.00 98 Q 8.47 4.89 0.00 1.61 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.61 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 99 R 8.37 5.39 0.00 2.44 2.10 0.00 3.30 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 100 L 9.47 5.47 0.00 1.99 1.90 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.53 5.91 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.03 5.07 0.00 1.95 1.85 1.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.50 4.96 0.00 1.71 1.85 0.00 3.45 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 104 D 8.50 3.49 0.00 1.58 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 0.00 0.00 0.00 105 P 0.00 3.99 0.00 0.49 1.62 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 106 F 8.00 4.66 0.00 3.13 3.02 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 0.00 107 G 8.17 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 0.00 108 K 8.52 4.32 0.00 1.97 1.74 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.57 7.81 109 L 9.52 4.52 0.00 1.71 1.58 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.74 4.69 2.11 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 1.19 0.80 1.07 0.00 0.00 111 N 8.93 5.02 0.00 2.06 2.68 0.00 0.00 6.69 8.23 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 0.00 112 I 9.03 5.12 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.95 0.00 0.00 113 L 9.06 5.45 0.00 1.88 2.01 1.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 114 S 9.06 4.29 0.00 4.06 3.60 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.