NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5068 8.1633 118.3344 55.2892 33.6811 173.0619 2 L 4.9776 8.4223 118.4374 52.8886 43.3370 175.0696 3 R 4.7063 8.9677 123.5054 54.6647 33.6298 174.7166 4 T 4.9325 8.3847 116.6811 61.3150 68.5965 173.6922 5 M 5.0562 9.2168 127.3689 53.1528 37.2846 173.8226 6 L 3.5747 8.7196 123.1299 56.1339 42.3384 176.1465 7 K 4.3543 8.6090 128.6001 58.2306 33.9643 176.1004 8 S 4.9759 8.2449 112.6781 57.3623 66.9994 173.7085 9 K 5.1939 8.3774 120.2863 56.7475 36.2734 174.3763 10 I 4.5525 8.3552 129.2684 60.2367 37.8998 174.3536 11 H 4.6249 9.2864 129.5598 55.7572 30.7368 175.5112 12 R 4.3532 8.6369 125.5585 57.2426 27.3383 176.5239 13 A 4.4310 7.4134 118.1689 52.3420 19.9592 177.4576 14 T 4.9295 8.5635 116.5858 61.6391 70.6972 175.1483 15 V 3.4965 8.8572 126.4778 63.5512 31.6038 176.0578 16 T 4.0072 8.5230 125.9395 66.0633 67.7427 175.8690 17 C 5.1102 7.2539 114.9239 57.6777 34.0120 171.4253 18 A 4.6044 8.0208 114.7706 51.7282 21.5157 175.7946 19 D 4.5576 8.5156 121.9696 52.5365 44.1898 175.5362 20 L 4.1762 8.9798 128.5597 58.5663 42.9940 177.0271 21 H 4.6967 8.4452 113.6006 55.6037 29.9009 170.1486 22 Y 3.2504 8.4288 129.8113 57.0285 39.8116 169.2262 23 V 4.4372 7.3794 125.6806 61.7112 33.6625 175.1708 24 G 4.1991 8.8190 110.7626 45.1217 0.0000 177.0448 25 S 3.1095 8.2847 115.8479 58.4637 63.8429 173.3117 26 V 5.5323 5.4500 117.1653 59.9422 34.9116 173.6133 27 T 5.0267 8.4875 118.4802 60.5262 70.4069 173.4746 28 I 4.8527 9.1813 128.5808 58.7821 40.4625 174.6855 29 D 4.6371 8.7260 124.3054 54.4558 41.7993 176.7308 30 A 4.0007 8.6383 128.4685 55.9136 18.3175 179.2399 31 D 4.3640 8.5397 117.0414 57.7792 40.8722 179.4060 32 L 4.0034 8.2118 119.3456 58.0336 41.5367 179.4452 33 M 4.1676 7.9710 118.2173 58.2656 31.8441 178.5070 34 D 4.3688 8.1042 118.6113 57.2290 40.9178 178.3643 35 A 3.8614 8.0114 121.0242 55.2832 18.3121 178.3246 36 A 4.1773 8.3395 115.2846 51.4946 18.9297 176.6643 37 D 4.3522 8.0526 114.7820 54.6264 39.2724 172.0345 38 L 5.0005 9.3098 121.4672 52.3559 45.9922 175.9664 39 L 4.6401 8.8582 122.3597 52.3452 43.6028 176.0050 40 E 3.7873 8.7769 123.4343 58.5808 29.4581 175.5469 41 G 3.8065 10.3797 117.4355 46.0879 0.0000 171.0487 42 E 4.7787 8.2170 121.6179 54.6902 33.2043 174.7030 43 Q 4.5172 9.2478 128.5692 57.0864 29.6530 175.7017 44 V 4.7590 11.0200 125.6298 61.4883 35.2299 174.2220 45 T 5.1836 9.1301 122.9912 62.0857 71.5355 173.5435 46 I 5.1589 8.6359 124.2687 59.7154 41.5015 174.9428 47 V 4.8204 8.6337 118.5247 59.7203 35.5257 174.2095 48 D 4.7972 8.7724 126.4136 53.0434 41.1486 176.6290 49 I 3.7104 8.6811 128.9873 64.6989 37.0863 177.9808 50 D 4.5529 8.4692 121.1995 56.7764 40.7980 176.9437 51 N 4.9437 8.0703 114.7060 52.3334 37.8475 174.0316 52 G 4.0309 8.5857 104.5294 47.0174 0.0000 174.1071 53 A 4.3581 7.5634 120.2845 51.8307 20.0326 178.1259 54 R 5.4753 8.1160 117.5495 55.2651 33.7940 174.7716 55 L 4.9434 8.6534 122.9843 52.7792 46.5467 175.7568 56 V 4.7906 8.2081 119.5010 61.8502 33.9194 174.1738 57 T 4.7867 9.2760 122.3556 61.3563 71.7571 171.8253 58 Y 5.4068 8.8659 120.5426 55.5700 40.5153 173.9228 59 A 5.0408 8.6698 120.6546 50.1889 22.2490 175.3152 60 I 4.7724 9.0651 122.7258 59.4113 40.4930 175.2863 61 T 4.4669 8.5928 124.5366 64.0255 68.7350 174.5167 62 G 4.1406 9.6670 115.8092 44.3208 0.0000 172.0476 63 E 4.3148 8.5060 119.8342 55.8576 31.0911 176.7576 64 R 4.3845 8.6351 123.6665 57.2142 30.9917 178.9614 65 G 4.2364 9.1095 109.6991 47.0405 0.0000 175.3497 66 S 4.1317 8.5520 113.4001 59.0634 62.9030 174.4841 67 G 4.0541 8.4583 109.1691 46.3035 0.0000 173.8038 68 V 3.7104 7.5662 118.0467 63.1372 32.9657 175.2994 69 I 4.6409 8.1124 122.7238 60.7109 40.3836 173.2033 70 G 4.1956 8.7777 112.7832 45.1629 0.0000 170.2316 71 I 4.8821 8.2080 122.3595 59.5171 39.5182 174.2053 72 N 5.1193 9.6776 127.1883 52.3503 39.4929 172.4589 73 G 4.1385 10.3770 120.1676 45.5104 0.0000 171.3875 74 A 3.8369 8.5505 128.3840 53.3021 17.2668 179.3266 75 A 4.0755 7.6118 115.9092 53.7203 18.7448 179.2457 76 A 3.9980 8.0394 118.1068 54.5966 18.6850 177.1967 77 H 4.6949 8.1938 113.0245 55.4975 30.5640 173.6876 78 L 3.7458 8.2981 120.5395 55.7858 40.2098 174.5475 79 V 4.3750 7.3157 116.9561 61.4188 32.7346 174.7401 80 H 5.0823 8.6404 122.4733 53.0018 32.7155 171.1435 81 P 4.4004 0.0000 0.0000 63.9123 31.5114 177.5517 82 G 3.9325 8.6773 108.1976 45.9264 0.0000 173.2453 83 D 4.9542 7.5548 119.8293 53.1137 42.8019 175.6275 84 L 4.8455 9.6984 124.3773 54.2670 42.7951 176.4229 85 V 4.9933 8.5667 116.8888 59.5746 36.1892 174.4713 86 I 4.9258 8.7457 121.0648 59.8025 41.1705 174.8427 87 L 5.3354 8.4816 125.4230 53.1751 44.3750 175.6303 88 I 5.0122 8.8091 122.9037 59.4701 41.7805 174.3124 89 A 4.8535 8.9059 127.4390 50.7166 21.5729 174.9012 90 Y 4.6950 9.0254 123.8833 59.3227 39.8840 174.3434 91 A 5.2420 8.3163 130.8715 53.0096 21.6684 176.8548 92 T 4.6263 8.4854 113.8488 62.2228 70.0418 173.8113 93 M 4.9059 9.4437 122.9419 53.5756 37.4672 173.9812 94 D 4.7834 8.6445 120.3542 54.0470 41.9698 176.7453 95 D 4.3235 8.8165 126.5516 57.4414 41.5257 178.6674 96 A 4.1233 7.9136 119.7068 55.3601 17.9778 179.6444 97 R 3.7654 7.9800 115.5064 59.0770 29.8808 178.6950 98 A 4.0488 7.8430 119.9381 55.7285 18.3914 178.7921 99 R 3.8145 7.5580 114.7875 58.8911 30.4548 177.3401 100 T 4.4251 7.2289 111.3602 60.7542 69.0153 173.6904 101 Y 4.8417 8.1775 124.8280 56.8431 41.6718 173.4302 102 Q 4.3127 8.8269 126.6551 53.5472 29.2560 173.5227 103 P 3.9147 0.0000 0.0000 62.1326 32.4027 177.6483 104 R 4.0402 8.4214 123.4640 56.5324 29.3473 174.4721 105 I 4.5479 7.7512 123.7327 59.5364 39.0497 175.1959 106 V 4.0220 8.5259 127.1977 60.9444 33.4015 174.7968 107 F 5.2310 8.0798 127.0379 57.4247 39.8577 175.2694 108 V 4.6513 7.8983 119.9249 59.8936 34.7900 174.7247 109 D 4.5082 8.6875 119.9945 53.4406 41.8349 176.9286 110 A 3.7638 8.3051 125.6587 54.3244 18.3554 177.8561 111 Y 4.8492 8.0670 111.9404 56.9593 38.7172 173.8164 112 N 4.2573 9.3202 123.0606 53.4478 35.6040 173.0767 113 K 4.4949 8.3313 121.0253 57.5483 38.5849 175.4382 *114 P 4.2215 0.0000 0.0000 62.2563 31.3818 178.1976 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 8.16 4.51 0.00 2.11 2.31 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 2.56 2.59 0.00 2 L 8.42 4.98 0.00 1.61 1.63 0.92 0.59 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 3 R 8.97 4.71 0.00 1.79 1.84 0.00 3.14 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 4 T 8.38 4.93 4.26 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 1.20 0.00 0.00 5 M 9.22 5.06 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 6 L 8.72 3.57 0.00 1.39 1.52 0.63 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.61 4.35 0.00 1.99 2.14 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 8 S 8.24 4.98 0.00 3.89 3.85 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 9 K 8.38 5.19 0.00 1.75 1.55 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.33 7.81 10 I 8.36 4.55 1.87 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 1.21 0.78 0.92 0.00 0.00 11 H 9.29 4.62 0.00 3.35 3.54 0.00 5.90 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.64 4.35 0.00 1.91 1.95 0.00 3.15 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.99 0.00 13 A 7.41 4.43 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.56 4.93 4.28 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 1.24 0.00 0.00 15 V 8.86 3.50 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 1.02 0.00 0.00 1.01 0.00 0.00 16 T 8.52 4.01 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 1.21 0.00 0.00 17 C 7.25 5.11 0.00 2.95 3.03 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 0.00 0.00 0.00 18 A 8.02 4.60 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 19 D 8.52 4.56 0.00 2.81 2.51 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 20 L 8.98 4.18 0.00 1.86 1.74 1.09 1.06 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 21 H 8.45 4.70 0.00 3.20 3.32 0.00 6.09 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.43 3.25 0.00 3.15 3.03 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 0.00 0.00 0.00 23 V 7.38 4.44 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 1.00 0.00 0.00 0.91 0.00 0.00 24 G 8.82 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 0.00 0.00 0.00 25 S 8.28 3.11 0.00 3.57 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 26 V 5.45 5.53 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 1.00 0.00 0.00 0.85 0.00 0.00 27 T 8.49 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 1.30 0.00 0.00 28 I 9.18 4.85 1.87 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 1.10 0.92 0.91 0.00 0.00 29 D 8.73 4.64 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.00 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 31 D 8.54 4.36 0.00 2.81 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 32 L 8.21 4.00 0.00 1.86 1.71 0.93 0.77 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 33 M 7.97 4.17 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 34 D 8.10 4.37 0.00 2.72 2.70 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 0.00 0.00 0.00 35 A 8.01 3.86 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 36 A 8.34 4.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.35 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.31 5.00 0.00 1.64 1.50 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.86 4.64 0.00 1.61 1.58 0.94 0.76 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 40 E 8.78 3.79 0.00 1.96 1.94 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 2.36 2.41 0.00 41 G 10.38 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 42 E 8.22 4.78 0.00 2.22 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 2.19 2.20 0.00 43 Q 9.25 4.52 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 44 V 11.02 4.76 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 0.97 0.00 0.00 1.01 0.00 0.00 45 T 9.13 5.18 4.39 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 1.29 0.00 0.00 46 I 8.64 5.16 1.87 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 1.22 0.74 0.91 0.00 0.00 47 V 8.63 4.82 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 0.77 0.00 0.00 1.04 0.00 0.00 48 D 8.77 4.80 0.00 2.78 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 49 I 8.68 3.71 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 1.23 0.53 0.91 0.00 0.00 50 D 8.47 4.55 0.00 2.79 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 51 N 8.07 4.94 0.00 2.76 2.83 0.00 0.00 6.14 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 52 G 8.59 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.56 4.36 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 54 R 8.12 5.48 0.00 1.66 1.83 0.00 3.21 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 55 L 8.65 4.94 0.00 1.54 1.50 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.21 4.79 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 0.81 0.00 0.00 0.94 0.00 0.00 57 T 9.28 4.79 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 1.13 0.00 0.00 58 Y 8.87 5.41 0.00 3.09 3.04 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 59 A 8.67 5.04 1.25 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 0.00 0.00 60 I 9.07 4.77 2.06 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.97 0.00 0.00 61 T 8.59 4.47 4.37 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 1.23 0.00 0.00 62 G 9.67 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 0.00 0.00 0.00 63 E 8.51 4.31 0.00 2.07 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 2.37 2.34 0.00 64 R 8.64 4.38 0.00 1.81 1.96 0.00 3.32 0.00 0.00 3.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 65 G 9.11 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 0.00 0.00 0.00 0.00 66 S 8.55 4.13 0.00 3.93 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 67 G 8.46 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 0.00 0.00 0.00 0.00 68 V 7.57 3.71 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 1.03 0.00 0.00 0.93 0.00 0.00 69 I 8.11 4.64 2.01 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 1.16 0.39 0.91 0.00 0.00 70 G 8.78 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 0.00 0.00 0.00 71 I 8.21 4.88 1.87 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 1.32 1.04 0.93 0.00 0.00 72 N 9.68 5.12 0.00 2.56 3.02 0.00 0.00 7.02 7.53 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 73 G 10.38 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 0.00 0.00 0.00 74 A 8.55 3.84 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 75 A 7.61 4.08 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 76 A 8.04 4.00 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 77 H 8.19 4.69 0.00 3.14 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.30 3.75 0.00 1.76 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.32 4.37 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 0.81 0.00 0.00 0.90 0.00 0.00 80 H 8.64 5.08 0.00 3.49 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.40 0.00 2.05 2.00 0.00 3.81 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 2.04 2.10 0.00 82 G 8.68 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 83 D 7.55 4.95 0.00 2.84 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 84 L 9.70 4.85 0.00 1.56 1.59 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.57 4.99 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 0.81 0.00 0.00 0.99 0.00 0.00 86 I 8.75 4.93 1.90 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 1.26 1.07 0.99 0.00 0.00 87 L 8.48 5.34 0.00 1.59 1.54 0.92 0.65 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 88 I 8.81 5.01 1.91 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 1.12 0.66 0.47 0.00 0.00 89 A 8.91 4.85 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 90 Y 9.03 4.69 0.00 2.96 2.96 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 91 A 8.32 5.24 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 92 T 8.49 4.63 4.26 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 1.23 0.00 0.00 93 M 9.44 4.91 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.47 0.00 94 D 8.64 4.78 0.00 2.73 2.51 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 95 D 8.82 4.32 0.00 2.85 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 96 A 7.91 4.12 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 97 R 7.98 3.77 0.00 1.69 1.80 0.00 3.23 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 98 A 7.84 4.05 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 99 R 7.56 3.81 0.00 1.79 2.00 0.00 3.16 0.00 0.00 3.29 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 100 T 7.23 4.43 4.28 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 1.23 0.00 0.00 101 Y 8.18 4.84 0.00 3.03 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 0.00 102 Q 8.83 4.31 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 103 P 0.00 3.91 0.00 1.73 1.87 0.00 3.50 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 1.85 1.77 0.00 104 R 8.42 4.04 0.00 1.68 1.81 0.00 3.39 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 105 I 7.75 4.55 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.65 0.00 0.00 106 V 8.53 4.02 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 1.03 0.00 0.00 0.85 0.00 0.00 107 F 8.08 5.23 0.00 3.01 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 0.00 108 V 7.90 4.65 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 0.79 0.00 0.00 0.96 0.00 0.00 109 D 8.69 4.51 0.00 2.71 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 0.00 110 A 8.31 3.76 1.02 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 0.00 0.00 111 Y 8.07 4.85 0.00 3.01 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 0.00 112 N 9.32 4.26 0.00 2.82 2.93 0.00 0.00 6.68 7.49 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 0.00 113 K 8.33 4.49 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.