NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9326 8.1400 114.7977 57.7785 64.6620 173.9467 2 L 3.9912 8.6329 124.5578 58.5245 41.7695 178.3730 3 L 4.0606 8.7789 119.8023 57.8492 41.9797 178.7650 4 E 4.0464 8.1367 118.1278 59.2897 29.2960 179.0466 5 F 4.6527 8.8546 121.2746 61.4940 39.4870 177.3807 6 G 3.5345 8.4763 105.4449 47.6868 0.0000 175.5800 7 K 4.0205 8.2395 122.1315 59.3383 32.2448 178.5680 8 M 4.3042 8.4827 118.7880 58.7459 32.0821 178.2095 9 I 3.6011 7.9301 120.2430 64.2545 37.1990 178.1501 10 L 4.4777 7.8147 122.3212 57.7848 41.7216 178.6986 11 E 3.9889 8.2161 117.5312 59.4753 29.4814 178.8405 12 E 4.1115 8.1917 118.3235 58.9548 29.9310 177.9865 13 T 4.4479 8.1822 107.2841 60.8123 70.3217 175.6908 14 G 3.7971 8.3455 110.0164 45.7276 0.0000 173.1265 *16 K 4.3889 7.4414 117.8385 55.8658 33.5018 175.1006 17 L 4.3527 8.1754 122.2568 54.3642 42.5995 177.7382 18 A 4.0128 8.9442 126.7750 54.9352 18.4592 177.1340 19 I 4.6252 7.6683 116.5106 59.5040 38.0165 173.7016 20 P 5.0426 0.0000 0.0000 61.7845 31.7395 176.4914 21 S 4.2824 8.0380 116.0082 60.7504 62.6994 174.5352 22 Y 4.6560 8.2024 115.0077 57.4357 38.9520 176.1818 23 S 4.7369 8.0966 115.0979 59.3516 63.8978 175.6434 24 S 4.9252 7.7816 116.2156 58.0188 63.4499 172.2642 25 Y 4.6757 8.5352 122.6172 58.2233 40.1348 175.3045 26 G 3.4801 8.2499 116.8276 46.7338 0.0000 173.0576 27 C 4.5286 9.4289 115.6698 57.9805 35.5641 174.4642 28 Y 4.1942 8.7303 115.3953 57.4597 39.4177 174.2486 29 C 5.0292 8.5599 119.0332 56.9682 40.7895 174.8243 30 G 4.4329 10.7017 113.2492 46.7771 0.0000 173.6318 31 W 4.4292 8.3871 125.5623 57.8807 32.1691 175.1111 32 G 3.7932 8.3332 100.0409 46.9139 0.0000 172.7944 33 G 4.0549 7.4637 120.6142 45.4277 0.0000 172.6675 34 K 4.6810 7.6872 116.4854 55.4036 35.5819 175.6649 35 G 4.4932 9.7830 106.3960 45.1645 0.0000 173.3109 36 T 4.2198 8.0297 115.9086 61.6981 69.1210 173.5616 37 P 4.6525 0.0000 0.0000 63.0200 31.8851 176.8533 38 K 3.7742 8.7077 121.2744 59.0485 32.3922 176.1293 39 D 4.4136 7.2675 115.7265 51.4510 41.8840 175.6910 40 A 4.0252 8.5814 119.8859 55.7979 18.0517 179.7815 41 T 4.0327 8.0844 113.7404 67.0411 68.5458 176.1163 42 D 4.6119 9.0046 120.1736 57.5770 41.1399 178.5476 43 R 3.9341 8.2134 118.6386 59.1701 29.9713 178.2126 44 C 4.1910 8.3092 116.5588 60.4039 38.8435 175.6335 45 C 4.3737 8.1862 118.1180 59.7370 41.0074 175.7738 46 F 3.6201 8.4764 122.5717 61.3360 38.8909 177.4482 47 V 3.4696 8.0689 117.8753 66.0802 31.2212 177.4139 48 H 3.8701 8.2441 118.0792 59.1442 29.3136 176.9345 49 D 4.1427 8.2084 121.0151 57.5983 40.6523 178.1445 50 C 4.0799 7.8135 116.8956 59.9659 39.8899 175.4004 51 C 4.1217 8.0074 119.4353 60.0127 43.9152 175.0100 52 Y 4.3474 8.0677 118.5615 61.0210 37.1587 178.7883 53 G 3.5733 8.0931 106.0461 47.5196 0.0000 175.0242 54 N 4.5521 7.9340 117.1640 54.3959 39.7604 174.9783 55 L 4.8414 7.5903 119.8054 52.7670 42.1548 175.1797 56 P 4.1861 0.0000 0.0000 65.6773 32.2609 178.3909 *59 D 4.9712 7.8857 117.3993 54.3520 42.4969 175.3571 *61 C 5.1478 7.6581 115.8346 57.3134 42.7083 172.8793 *67 N 4.8310 8.3179 116.7380 52.8116 38.4233 173.6471 68 P 4.1002 0.0000 0.0000 64.8523 32.2021 180.0049 69 K 4.1078 8.0940 119.1858 58.5147 32.2082 178.4651 70 S 4.4671 7.7869 110.9567 58.5887 64.9386 173.9809 71 D 4.4193 8.1161 121.4147 53.9128 41.3544 175.3841 72 R 4.4759 8.4195 125.8296 55.0151 31.4578 175.0922 73 Y 4.9493 7.7478 119.3251 55.0144 41.0894 174.6635 74 K 4.9962 8.5515 118.8854 55.0384 35.2470 174.9651 75 Y 5.5289 8.2677 120.2828 55.7593 41.5697 173.3502 76 K 4.6754 9.2503 118.6569 55.4210 37.0019 174.7749 77 R 5.0984 8.5336 118.9982 54.5845 32.0979 176.5808 78 V 3.9198 8.8047 124.6871 61.9811 32.0016 175.3388 79 N 4.2994 9.1428 126.0333 53.3755 35.4993 173.0936 80 G 4.3127 8.2677 115.6368 45.8305 0.0000 172.6498 81 A 4.2758 7.9473 122.9259 51.2271 19.6912 176.5292 82 I 4.5431 8.3287 123.0901 60.9220 38.4184 175.6109 83 V 4.3472 9.1212 127.2337 60.9779 33.9595 173.9452 84 C 4.8314 8.8678 126.4135 57.2015 40.5285 173.6519 85 E 4.5954 9.0357 123.9211 54.9391 31.0312 176.1486 86 K 4.4768 7.9118 122.6691 55.5866 33.4889 175.2234 *88 G 4.2265 8.2789 115.6157 45.2998 0.0000 172.8499 89 T 4.2098 8.7885 115.1915 61.0892 70.9944 175.8404 90 S 4.0945 8.5192 117.2687 62.0288 62.7697 177.6440 91 C 4.2349 8.1432 118.4680 60.1676 40.2322 175.8854 92 E 4.0025 8.1397 119.9770 59.5218 28.5412 179.2058 93 N 4.2784 8.3292 116.4948 56.4800 38.6147 177.7722 94 R 3.9441 8.0062 119.4076 59.0383 30.1519 179.1094 95 I 3.6183 8.0415 120.1092 64.4690 37.1178 177.4884 96 C 2.9093 7.9560 119.3780 59.4498 40.4499 175.5523 97 E 3.8041 7.9386 119.9753 59.4158 28.9952 178.7577 98 C 4.1738 8.0285 116.6149 60.0713 40.1816 175.9544 99 D 3.8135 7.9676 120.4264 56.9001 40.3875 178.4809 100 K 3.6840 8.2066 120.3750 59.5385 32.0488 178.5009 101 A 3.8645 7.8050 120.5042 55.1320 18.2712 179.4724 102 A 3.4900 7.7477 118.9069 54.9967 18.3894 179.7173 103 A 3.8714 8.1718 119.5297 55.3416 18.3813 179.9180 104 I 3.6246 7.7590 118.3351 64.5977 36.9299 177.8327 105 C 4.1930 8.0114 118.5715 59.6498 37.8818 175.2910 106 F 4.6183 8.1510 119.7858 60.6669 37.9492 177.5651 107 R 3.9469 8.1156 118.3155 59.5909 29.7083 178.3538 108 Q 4.1671 8.3771 117.9981 58.0300 29.2330 176.2339 109 N 5.0844 7.7351 115.3500 52.8950 39.8243 176.1655 110 L 4.1798 7.8763 121.3255 57.7999 41.7801 179.2240 111 N 4.5377 8.2994 114.8516 54.9249 37.3264 175.4332 112 T 4.5865 7.7940 107.1158 60.9932 69.2170 173.5107 113 Y 4.1742 7.9822 124.4336 58.3316 39.4714 175.1412 114 S 4.9884 8.7894 122.4424 56.3928 65.9015 175.4004 115 K 4.0934 8.8225 125.3783 58.9684 32.0272 179.0506 116 K 3.9497 7.6869 116.6720 58.9931 32.6484 177.0053 117 Y 4.4410 7.2700 116.6966 58.1634 38.2070 175.3421 118 M 4.4314 7.5868 120.8236 56.2904 32.5004 175.9733 119 L 3.6772 8.3556 121.2360 55.6888 39.9661 174.5049 120 Y 4.1656 7.6529 119.4734 56.7012 39.5729 173.7703 121 P 4.3671 0.0000 0.0000 62.3703 32.4222 176.4448 122 D 4.2671 9.0271 121.7439 57.3633 41.1095 178.1174 *124 F 4.7615 7.8335 110.9225 56.4670 39.5439 175.2387 125 L 3.7792 6.8534 119.4452 54.9130 41.3952 176.0993 126 C 4.8833 8.1180 117.6907 54.9198 40.8365 173.1367 127 K 4.6752 8.4073 123.3483 55.4308 35.1781 176.8924 128 G 4.3048 8.9253 109.0187 45.7367 0.0000 172.2368 129 E 4.5616 8.3965 120.7881 54.4653 31.0827 175.4055 130 L 4.7293 8.4408 124.1193 52.8931 44.6480 176.0973 131 K 4.1450 8.4767 125.6119 56.5217 32.9614 177.8524 *133 C 4.9059 8.5671 118.5023 57.4829 41.5378 173.7457 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 S 8.14 4.93 0.00 4.14 4.21 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 2 L 8.63 3.99 0.00 1.93 1.87 1.23 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.78 4.06 0.00 1.76 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.14 4.05 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 2.26 2.24 0.00 5 F 8.85 4.65 0.00 3.40 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 6 G 8.48 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 7 K 8.24 4.02 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.50 7.81 8 M 8.48 4.30 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 9 I 7.93 3.60 1.80 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.10 0.57 0.00 0.00 10 L 7.81 4.48 0.00 1.77 1.82 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.22 3.99 0.00 2.24 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 0.00 2.41 2.52 0.00 12 E 8.19 4.11 0.00 2.13 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 0.00 2.47 2.37 0.00 13 T 8.18 4.45 4.27 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 1.22 0.00 0.00 14 G 8.35 3.80 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 0.00 0.00 0.00 *16 K 7.44 4.39 0.00 1.89 1.61 0.00 1.36 0.00 0.00 0.88 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 8.18 4.35 0.00 1.69 1.74 0.91 0.81 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 18 A 8.94 4.01 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 19 I 7.67 4.63 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.93 0.00 0.00 20 P 0.00 5.04 0.00 2.18 2.14 0.00 3.36 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 8.04 4.28 0.00 3.77 3.26 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 22 Y 8.20 4.66 0.00 2.79 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 23 S 8.10 4.74 0.00 4.08 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 0.00 24 S 7.78 4.93 0.00 4.01 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 25 Y 8.54 4.68 0.00 2.98 2.86 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 26 G 8.25 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.43 4.53 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.73 4.19 0.00 3.57 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 29 C 8.56 5.03 0.00 3.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.70 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.39 4.43 0.00 3.37 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 32 G 8.33 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 0.00 0.00 0.00 33 G 7.46 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 34 K 7.69 4.68 0.00 2.01 1.78 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.52 7.81 35 G 9.78 4.49 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 0.00 0.00 0.00 36 T 8.03 4.22 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 1.14 0.00 0.00 37 P 0.00 4.65 0.00 1.93 2.03 0.00 3.46 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 1.53 1.72 0.00 38 K 8.71 3.77 0.00 0.79 0.74 0.00 1.67 0.00 0.00 1.37 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.89 0.21 7.81 39 D 7.27 4.41 0.00 2.83 2.76 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 40 A 8.58 4.03 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 41 T 8.08 4.03 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 1.03 0.00 0.00 42 D 9.00 4.61 0.00 3.00 2.86 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 43 R 8.21 3.93 0.00 2.10 1.95 0.00 3.10 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 44 C 8.31 4.19 0.00 3.29 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 45 C 8.19 4.37 0.00 3.39 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 46 F 8.48 3.62 0.00 2.50 2.99 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 0.00 0.00 0.00 47 V 8.07 3.47 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 0.91 0.00 0.00 1.05 0.00 0.00 48 H 8.24 3.87 0.00 3.12 3.29 0.00 5.65 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 49 D 8.21 4.14 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.81 4.08 0.00 2.93 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 51 C 8.01 4.12 0.00 2.93 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 52 Y 8.07 4.35 0.00 3.03 2.81 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 53 G 8.09 3.57 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 0.00 0.00 0.00 54 N 7.93 4.55 0.00 2.87 2.86 0.00 0.00 6.79 8.01 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 55 L 7.59 4.84 0.00 1.59 1.51 0.87 1.26 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 56 P 0.00 4.19 0.00 2.19 2.29 0.00 3.77 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 2.08 1.97 0.00 *59 D 7.89 4.97 0.00 2.76 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 *61 C 7.66 5.15 0.00 3.02 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 *67 N 8.32 4.83 0.00 2.73 2.77 0.00 0.00 7.37 8.03 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 68 P 0.00 4.10 0.00 1.07 1.19 0.00 3.20 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 69 K 8.09 4.11 0.00 1.82 1.96 0.00 1.74 0.00 0.00 2.02 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.55 1.39 7.81 70 S 7.79 4.47 0.00 3.94 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 71 D 8.12 4.42 0.00 2.73 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 72 R 8.42 4.48 0.00 1.80 1.89 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 73 Y 7.75 4.95 0.00 3.07 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 74 K 8.55 5.00 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.27 5.53 0.00 3.11 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 76 K 9.25 4.68 0.00 1.78 1.90 0.00 1.29 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.53 5.10 0.00 1.73 1.93 0.00 3.41 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 78 V 8.80 3.92 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 9.14 4.30 0.00 2.82 3.05 0.00 0.00 7.41 7.65 0.00 0.00 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 G 8.27 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.95 4.28 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 82 I 8.33 4.54 1.84 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 1.28 0.61 0.79 0.00 0.00 83 V 9.12 4.35 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 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.83 0.00 2.97 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 85 E 9.04 4.60 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 86 K 7.91 4.48 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.28 4.23 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 0.00 89 T 8.79 4.21 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 1.28 0.00 0.00 90 S 8.52 4.09 0.00 3.87 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 91 C 8.14 4.23 0.00 2.95 3.11 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 92 E 8.14 4.00 0.00 2.31 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 0.00 2.55 2.55 0.00 93 N 8.33 4.28 0.00 2.85 2.83 0.00 0.00 7.07 7.17 0.00 0.00 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 R 8.01 3.94 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 95 I 8.04 3.62 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 1.00 0.00 0.00 96 C 7.96 2.91 0.00 2.22 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 97 E 7.94 3.80 0.00 2.07 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 2.43 2.43 0.00 98 C 8.03 4.17 0.00 3.19 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 99 D 7.97 3.81 0.00 2.71 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 0.00 100 K 8.21 3.68 0.00 1.61 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.80 3.86 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 0.00 102 A 7.75 3.49 1.07 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 0.00 0.00 103 A 8.17 3.87 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 0.00 104 I 7.76 3.62 1.94 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 1.38 0.73 0.88 0.00 0.00 105 C 8.01 4.19 0.00 2.90 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 0.00 106 F 8.15 4.62 0.00 3.01 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 0.00 107 R 8.12 3.95 0.00 1.97 2.12 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.38 4.17 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.74 5.08 0.00 3.01 2.87 0.00 0.00 6.82 6.60 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 0.00 110 L 7.88 4.18 0.00 1.78 1.76 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.54 0.00 2.87 2.99 0.00 0.00 5.81 7.71 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 0.00 112 T 7.79 4.59 4.33 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 1.27 0.00 0.00 113 Y 7.98 4.17 0.00 3.06 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 0.00 114 S 8.79 4.99 0.00 3.69 3.43 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 0.00 0.00 0.00 0.00 115 K 8.82 4.09 0.00 1.82 1.89 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.62 7.81 116 K 7.69 3.95 0.00 1.63 1.70 0.00 1.23 0.00 0.00 1.40 0.00 0.00 2.48 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.49 0.46 7.81 117 Y 7.27 4.44 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.59 4.43 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 119 L 8.36 3.68 0.00 1.84 1.75 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.65 4.17 0.00 3.06 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 0.00 121 P 0.00 4.37 0.00 2.36 2.24 0.00 2.44 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 1.82 2.00 0.00 122 D 9.03 4.27 0.00 2.79 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 *124 F 7.83 4.76 0.00 3.24 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 0.00 125 L 6.85 3.78 0.00 1.11 1.50 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.12 4.88 0.00 3.04 3.21 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 0.00 127 K 8.41 4.68 0.00 1.77 1.66 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 128 G 8.93 4.30 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 0.00 129 E 8.40 4.56 0.00 2.01 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 2.31 2.34 0.00 130 L 8.44 4.73 0.00 1.61 1.58 0.65 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.48 4.15 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.57 4.91 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.