NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1693 8.3033 121.4509 55.9637 32.0258 177.7342 3 Q 3.8453 7.8914 117.8606 56.9497 29.1166 176.1564 4 Q 4.0678 8.8320 119.4010 59.5476 28.5812 178.6682 5 L 3.5653 7.5384 120.0374 57.3713 41.6458 179.1901 6 K 3.8371 7.4749 118.0882 59.2445 32.0002 178.3218 7 D 4.4457 8.3116 120.7862 56.0459 40.7821 178.6410 8 I 3.4803 7.4418 120.6402 63.7656 37.0638 178.3479 9 I 3.4818 7.7104 121.1714 64.2798 36.8821 178.4615 10 S 3.9971 7.6578 114.7627 61.4296 62.6479 176.0711 11 A 3.9681 7.8382 124.5667 55.1389 18.0233 179.5184 12 C 3.8957 7.7256 114.9567 62.8779 27.7061 175.6252 13 D 4.3018 8.4846 119.9628 57.2849 40.5625 178.3029 14 L 3.9110 8.2064 120.7633 57.9301 42.2474 178.5500 15 A 4.2717 7.9032 121.9629 54.3667 18.1855 179.5269 16 I 3.6413 7.6040 118.3420 64.0171 37.1312 178.4456 17 Q 3.8602 7.3238 117.4369 58.9945 28.6288 176.9630 18 N 4.5364 8.2677 112.4296 52.7471 38.4059 174.6615 19 E 2.8479 7.1645 116.8566 57.2949 28.3763 175.4848 20 D 4.7061 7.0117 114.5584 51.6818 38.9680 176.9731 21 F 4.3649 6.8092 120.7831 60.2771 39.8114 177.7771 22 D 4.5588 8.1535 120.2297 56.0033 39.4227 177.4339 23 T 4.3530 7.8155 108.6830 62.7977 69.9326 175.8416 24 L 4.4091 7.2253 125.0979 55.0415 41.2180 177.8665 *26 N 4.6789 8.1095 115.0046 52.8653 40.6323 175.0364 27 Y 4.5712 7.7671 114.4379 58.6143 39.1798 175.0058 28 Y 5.2265 7.9540 116.6759 56.3483 40.3475 175.5655 29 S 4.5499 8.7993 117.4696 57.7774 64.6312 173.8680 30 E 4.1712 8.9239 120.4341 58.2127 30.4495 177.2563 31 D 4.9017 7.9132 116.3152 52.9806 40.4525 176.6213 32 A 4.5447 7.7766 121.4485 53.1192 19.9984 177.5789 33 V 4.8378 8.8211 111.4490 59.5538 36.0620 174.8693 34 L 5.0314 8.8446 126.3562 53.2284 45.2116 175.3406 35 V 4.1886 8.6595 127.3365 61.9205 31.1631 175.9706 36 V 3.6225 8.4276 128.9654 65.2409 31.7463 175.9936 37 K 4.8962 7.4383 113.8294 55.6574 34.6728 172.9391 38 P 3.6981 0.0000 0.0000 64.3128 31.8397 176.1695 39 G 3.6043 8.2671 111.7828 45.8606 0.0000 172.4560 *41 I 4.1285 7.3342 112.8688 60.9763 39.5595 175.9509 42 A 4.7411 8.7859 125.6061 50.2186 21.5219 175.4417 43 R 4.8171 8.6796 121.1780 55.4414 32.8702 176.9596 44 G 4.4167 9.0792 109.3061 45.8726 0.0000 174.4694 45 K 3.8763 8.6646 120.3945 59.2885 32.0352 179.2856 46 E 3.8869 8.0556 118.8134 59.4591 29.7740 178.3848 47 E 3.9378 8.1479 118.0266 59.6847 29.5858 179.4608 48 I 3.5480 7.7222 119.6949 63.9035 37.0749 178.4397 49 K 4.0063 8.0171 120.5527 59.4893 32.1057 178.9737 50 K 3.8350 8.0491 118.4921 59.3189 31.8785 178.9225 51 A 3.8625 7.8913 120.9099 55.4045 18.0134 179.7783 52 F 4.0509 7.5301 114.4972 60.6428 39.0057 177.6913 53 I 3.2272 7.0597 118.4138 64.4421 37.1119 178.3326 54 T 4.0583 8.2670 117.1667 66.5379 67.8181 176.4701 55 I 4.2685 8.0308 112.6722 61.5867 37.5818 177.6561 56 A 4.2838 7.9986 125.4460 55.4379 18.2834 178.7963 57 N 4.7779 8.0233 112.5247 54.3541 38.9998 175.8550 58 Y 4.4159 8.2945 115.8691 60.5825 38.1153 176.4801 59 F 4.3909 8.0820 117.4724 55.9830 39.9208 175.6199 60 N 4.7903 8.5554 125.0031 52.4757 38.4935 176.2695 61 H 4.5771 8.3420 128.5060 56.3067 28.7538 177.7373 62 H 4.5188 8.9684 119.2634 58.0827 28.2189 175.5714 63 I 4.0771 8.0345 121.4808 59.9261 35.7387 176.8174 64 V 3.6465 7.6716 121.0151 60.8249 30.8786 174.4657 65 P 4.4999 0.0000 0.0000 63.3632 32.5029 175.8267 66 T 4.3951 8.8548 118.8190 62.3165 69.7787 174.3122 67 Q 4.1766 8.9278 128.4775 56.7513 29.5560 175.9302 68 G 4.2934 8.4400 114.0050 44.9390 0.0000 170.9342 69 K 4.0300 8.7965 123.3208 56.9035 33.5816 176.7599 *71 I 4.2556 8.1084 119.5834 61.1359 38.8121 174.9651 72 L 5.0626 8.4355 124.3117 53.0165 44.6581 176.1679 73 L 4.5496 9.1293 124.8055 53.0035 43.2107 174.4507 74 E 4.6445 8.5828 124.5544 54.2099 30.6840 176.1917 75 A 4.7566 8.2263 129.0521 50.6701 20.4008 176.9380 76 G 3.9463 8.8226 114.3271 45.9236 0.0000 173.1191 77 D 4.4007 9.5851 121.2133 56.9776 42.3193 174.8435 78 T 5.5931 7.8244 107.5180 60.2298 72.6503 173.0782 79 V 4.7505 8.8142 120.8057 61.5214 35.2859 172.9349 80 L 4.9249 9.2501 131.1355 53.9425 43.6084 174.9828 81 V 4.6522 9.2533 127.4119 61.5638 33.4496 174.6868 82 L 5.2283 8.9125 129.2861 52.3880 41.5162 174.1086 83 S 4.5517 8.0628 117.4245 57.0438 64.3071 171.8460 84 Q 4.9174 9.0943 129.3060 55.0573 31.0293 174.1083 85 T 5.0309 8.5158 122.5307 61.7902 71.6932 173.0991 86 L 4.6399 9.2096 127.0210 53.8774 43.0436 177.7645 87 L 4.0647 8.6718 124.8315 57.2070 42.5734 177.0985 88 D 4.6651 7.9134 115.6819 54.6908 42.9138 175.7082 *99 E 4.3513 7.7904 115.1236 56.2127 31.3598 175.9564 100 R 4.3429 8.9865 119.9164 54.8518 32.6188 174.2172 101 R 4.8087 8.5776 126.7849 55.2973 31.0984 175.9941 102 A 4.6497 8.8014 126.9725 50.3337 21.9896 175.5373 103 T 4.6540 7.7634 107.9495 60.3882 71.5079 172.5897 104 Y 5.1232 8.6782 124.0848 55.9966 41.8573 175.1372 105 V 4.8914 8.5692 121.1455 61.3946 34.6931 174.3438 106 F 5.4715 9.2482 126.3124 55.7835 42.6040 174.4401 107 K 5.2895 9.3526 122.5775 54.5784 35.2635 174.9399 108 K 3.9169 7.5504 129.4398 55.4753 32.4797 176.6098 109 N 4.5714 8.2601 125.8542 51.7054 38.9573 175.5518 110 A 3.9226 8.5008 120.2140 55.6590 18.2999 179.1545 111 Q 3.9466 7.8799 112.8021 57.5492 28.8039 177.6798 112 G 3.7813 8.1131 106.2375 44.7626 0.0000 172.5919 113 E 4.5575 8.1338 118.8965 54.3323 31.6339 175.4157 114 W 4.7013 8.9343 124.5877 56.6607 29.6907 175.7344 115 L 5.0919 9.0783 125.1253 53.2937 44.5076 175.0576 116 C 4.1580 9.0696 121.8628 58.7761 32.4717 173.9846 117 V 4.2113 8.9000 125.3872 63.5822 34.3360 175.0039 118 I 4.8304 7.5559 120.6428 59.7140 40.8610 174.2042 119 D 5.1852 9.3150 128.9193 52.7215 42.4431 173.4289 120 N 5.3152 8.7171 124.3914 50.8770 39.3445 174.6903 121 S 4.3756 8.9608 115.0808 59.4204 63.4139 175.1246 122 Y 4.2988 8.4630 118.9667 57.2311 39.8150 177.0044 123 G 4.0385 8.3403 108.6932 45.5638 0.0000 175.4471 124 T 4.1435 8.3259 109.8939 63.3711 69.0003 176.3946 125 D 4.4657 7.9580 122.9903 56.9001 41.0677 178.2011 126 L 3.7398 7.6121 120.4356 58.0821 42.1443 178.3817 127 I 3.8000 7.6299 119.0979 64.2360 37.3285 176.2030 128 G 3.7423 7.5284 112.4518 45.8342 0.0000 173.1532 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 E 8.30 4.17 0.00 1.95 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 2.21 2.28 0.00 3 Q 7.89 3.85 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 4 Q 8.83 4.07 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 5 L 7.54 3.57 0.00 1.43 1.33 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.47 3.84 0.00 1.95 1.88 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 7 D 8.31 4.45 0.00 2.88 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 8 I 7.44 3.48 1.73 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 1.49 0.77 0.59 0.00 0.00 9 I 7.71 3.48 1.91 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 1.65 0.87 0.82 0.00 0.00 10 S 7.66 4.00 0.00 3.93 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 11 A 7.84 3.97 1.11 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 0.00 0.00 0.00 12 C 7.73 3.90 0.00 2.90 2.80 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 0.00 0.00 0.00 0.00 13 D 8.48 4.30 0.00 2.75 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 14 L 8.21 3.91 0.00 1.83 1.74 0.89 1.08 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 15 A 7.90 4.27 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 16 I 7.60 3.64 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.02 0.89 0.00 0.00 17 Q 7.32 3.86 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.19 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 18 N 8.27 4.54 0.00 2.79 2.75 0.00 0.00 7.30 8.44 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 19 E 7.16 2.85 0.00 1.92 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 0.00 2.30 2.33 0.00 20 D 7.01 4.71 0.00 2.91 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 21 F 6.81 4.36 0.00 3.25 3.16 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 22 D 8.15 4.56 0.00 2.78 2.85 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 23 T 7.82 4.35 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 1.26 0.00 0.00 24 L 7.23 4.41 0.00 1.82 1.83 0.87 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *26 N 8.11 4.68 0.00 2.51 2.60 0.00 0.00 7.14 7.46 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 27 Y 7.77 4.57 0.00 2.93 2.80 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 0.00 0.00 0.00 0.00 28 Y 7.95 5.23 0.00 2.97 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 29 S 8.80 4.55 0.00 3.94 4.14 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 30 E 8.92 4.17 0.00 2.15 2.00 0.00 0.00 0.00 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 2.38 0.00 31 D 7.91 4.90 0.00 2.72 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 32 A 7.78 4.54 1.51 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 0.00 0.00 0.00 33 V 8.82 4.84 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 0.68 0.00 0.00 0.99 0.00 0.00 34 L 8.84 5.03 0.00 1.47 1.27 0.50 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.66 4.19 2.13 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 0.49 0.00 0.00 0.91 0.00 0.00 36 V 8.43 3.62 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 0.74 0.00 0.00 0.75 0.00 0.00 37 K 7.44 4.90 0.00 1.87 1.86 0.00 1.10 0.00 0.00 2.30 0.00 0.00 3.01 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.40 7.81 38 P 0.00 3.70 0.00 1.96 1.94 0.00 3.74 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.67 0.00 39 G 8.27 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 0.00 0.00 0.00 *41 I 7.33 4.13 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 1.23 0.59 0.84 0.00 0.00 42 A 8.79 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.68 4.82 0.00 1.64 1.80 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 44 G 9.08 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 0.00 0.00 0.00 0.00 45 K 8.66 3.88 0.00 1.83 1.92 0.00 1.97 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.67 7.81 46 E 8.06 3.89 0.00 2.03 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 2.36 2.40 0.00 47 E 8.15 3.94 0.00 2.17 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 2.37 2.38 0.00 48 I 7.72 3.55 1.83 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.55 0.00 0.00 49 K 8.02 4.01 0.00 2.02 1.96 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.58 7.81 50 K 8.05 3.84 0.00 1.97 1.79 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.55 7.81 51 A 7.89 3.86 1.11 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 0.00 0.00 0.00 52 F 7.53 4.05 0.00 2.95 2.75 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 0.00 0.00 0.00 53 I 7.06 3.23 1.83 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 0.93 0.03 0.88 0.00 0.00 54 T 8.27 4.06 4.40 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 1.32 0.00 0.00 55 I 8.03 4.27 2.14 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 1.03 0.00 0.00 56 A 8.00 4.28 1.61 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 0.00 0.00 57 N 8.02 4.78 0.00 2.82 2.97 0.00 0.00 6.03 7.55 0.00 0.00 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 Y 8.29 4.42 0.00 3.21 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 59 F 8.08 4.39 0.00 3.18 2.95 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 60 N 8.56 4.79 0.00 2.71 2.80 0.00 0.00 7.23 7.89 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 61 H 8.34 4.58 0.00 3.15 3.09 0.00 5.97 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.97 4.52 0.00 3.38 3.51 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.03 4.08 1.92 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 1.40 0.90 0.94 0.00 0.00 64 V 7.67 3.65 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 0.81 0.00 0.00 0.94 0.00 0.00 65 P 0.00 4.50 0.00 2.12 2.13 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 66 T 8.85 4.40 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 1.21 0.00 0.00 67 Q 8.93 4.18 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 68 G 8.44 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 0.00 0.00 0.00 0.00 69 K 8.80 4.03 0.00 1.97 1.75 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 *71 I 8.11 4.26 1.86 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 1.33 0.35 0.90 0.00 0.00 72 L 8.44 5.06 0.00 1.39 1.46 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.13 4.55 0.00 1.53 1.60 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.58 4.64 0.00 1.88 1.82 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 2.31 2.39 0.00 75 A 8.23 4.76 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 76 G 8.82 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 0.00 0.00 0.00 77 D 9.59 4.40 0.00 2.76 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 78 T 7.82 5.59 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 1.31 0.00 0.00 79 V 8.81 4.75 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 0.70 0.00 0.00 0.37 0.00 0.00 80 L 9.25 4.92 0.00 1.79 1.54 0.97 0.71 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 81 V 9.25 4.65 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 1.13 0.00 0.00 1.08 0.00 0.00 82 L 8.91 5.23 0.00 1.47 1.55 0.91 0.83 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 83 S 8.06 4.55 0.00 4.06 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 84 Q 9.09 4.92 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 85 T 8.52 5.03 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 86 L 9.21 4.64 0.00 1.65 1.57 0.92 0.54 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 87 L 8.67 4.06 0.00 1.58 1.68 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.91 4.67 0.00 2.66 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 *99 E 7.79 4.35 0.00 1.99 2.00 0.00 0.00 0.00 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 2.31 0.00 100 R 8.99 4.34 0.00 1.77 1.77 0.00 2.81 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 101 R 8.58 4.81 0.00 1.78 1.83 0.00 3.14 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 102 A 8.80 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.76 4.65 4.18 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 1.14 0.00 0.00 104 Y 8.68 5.12 0.00 3.08 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 0.00 105 V 8.57 4.89 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 1.09 0.00 0.00 0.96 0.00 0.00 106 F 9.25 5.47 0.00 3.15 3.39 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 0.00 107 K 9.35 5.29 0.00 1.92 1.72 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.47 7.81 108 K 7.55 3.92 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.60 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.94 0.53 7.81 109 N 8.26 4.57 0.00 2.82 2.92 0.00 0.00 6.43 8.50 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 0.00 110 A 8.50 3.92 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 0.00 111 Q 7.88 3.95 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 112 G 8.11 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 0.00 113 E 8.13 4.56 0.00 2.10 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 2.19 2.39 0.00 114 W 8.93 4.70 0.00 3.14 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 0.00 115 L 9.08 5.09 0.00 1.73 1.69 0.96 0.64 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 0.00 116 C 9.07 4.16 0.00 2.66 2.50 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 0.00 117 V 8.90 4.21 2.12 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 1.04 0.00 0.00 1.04 0.00 0.00 118 I 7.56 4.83 1.89 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 1.25 0.57 0.94 0.00 0.00 119 D 9.32 5.19 0.00 2.97 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 0.00 120 N 8.72 5.32 0.00 2.93 2.83 0.00 0.00 6.77 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 0.00 121 S 8.96 4.38 0.00 4.02 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 0.00 122 Y 8.46 4.30 0.00 3.20 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 0.00 123 G 8.34 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.33 4.14 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 1.20 0.00 0.00 125 D 7.96 4.47 0.00 3.00 2.84 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 0.00 126 L 7.61 3.74 0.00 1.79 1.69 0.63 1.53 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 0.00 127 I 7.63 3.80 2.01 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 1.22 0.64 0.91 0.00 0.00 128 G 7.53 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.