NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1052 8.0932 114.8012 57.7843 64.5126 174.3213 2 L 4.0900 8.3447 120.2087 57.3005 40.9694 178.5984 3 L 4.0283 8.5025 120.5556 57.9107 41.8608 179.0633 4 E 4.0797 8.0244 118.0371 59.2001 29.4982 178.9320 5 F 4.7249 8.6674 121.0118 61.3634 39.4934 177.3053 6 G 3.6043 8.5693 105.7784 47.7553 0.0000 175.5537 7 K 3.9998 7.9346 122.3292 59.3139 32.2277 178.5602 8 M 4.0644 8.3117 119.1005 58.6510 31.9425 178.7395 9 I 3.5670 7.6070 119.4883 64.2562 37.2871 178.1822 10 L 4.3142 7.6904 122.2668 57.7024 41.7122 178.7486 11 E 3.9779 8.1858 117.2836 59.5518 29.5159 179.1005 12 E 4.1388 8.4866 117.7407 59.1141 29.7779 178.6588 13 T 4.4502 8.2365 106.5391 60.6411 70.0572 175.7462 14 G 3.8083 8.4437 110.3527 46.1024 0.0000 173.5023 *16 K 4.3246 7.4315 117.8759 56.0542 33.3504 174.9275 17 L 4.3151 8.1321 121.9236 54.0464 42.6947 177.8199 18 A 4.0394 8.8573 126.3158 54.7636 18.5166 177.2492 19 I 4.6094 7.6746 116.2087 59.3997 38.3451 173.6165 20 P 4.8623 0.0000 0.0000 62.5336 31.6992 176.3792 21 S 4.3004 7.8167 116.3397 60.9064 62.6864 174.6928 22 Y 4.6756 8.2704 115.1091 57.5600 38.7511 176.1492 23 S 4.8486 8.1605 114.9339 58.6493 64.3481 174.8784 24 S 4.6455 7.9012 116.0230 58.2096 63.6608 172.1313 25 Y 4.8941 7.9316 120.0947 57.9180 40.3534 175.2890 26 G 3.3956 8.0170 116.5379 47.0664 0.0000 173.5274 27 C 4.4899 9.6118 116.1017 57.6680 41.0888 174.7845 28 Y 4.3409 8.4762 115.6145 58.2127 38.7807 175.5724 29 C 4.6141 8.4216 118.6923 57.8520 39.4474 174.6717 30 G 4.3442 8.5250 112.6691 46.5193 0.0000 173.3479 31 W 4.5161 8.6940 127.8947 60.4534 31.4163 177.7181 32 G 3.4496 7.3883 106.4222 45.9266 0.0000 173.6029 33 G 4.1547 7.5693 102.0539 43.8980 0.0000 172.6503 34 K 4.4326 7.3564 118.8256 56.9544 36.2726 178.6478 35 G 3.8599 8.4618 108.6473 44.9403 0.0000 172.3155 36 T 4.2524 7.7771 115.8041 61.7295 69.2666 173.3667 37 P 4.6652 0.0000 0.0000 62.6252 32.0106 176.8689 38 K 3.8515 8.7337 122.0650 59.1039 32.2642 176.7876 39 D 4.4752 7.4221 116.3694 50.9158 43.2042 175.5394 40 A 3.9873 8.6350 120.5720 56.0094 18.2044 179.7805 41 T 4.0144 7.9813 113.3210 66.9831 68.4981 176.1358 42 D 4.5989 8.6995 119.8634 57.5398 41.1342 178.4910 43 R 3.9449 8.4293 118.9223 59.3148 30.0226 178.2793 44 C 4.2094 8.3069 116.3429 60.3080 38.1431 175.5441 45 C 4.3668 8.3181 117.5232 59.9383 40.0319 175.7251 46 F 3.6887 8.4937 122.4853 61.4677 38.8688 177.4447 47 V 3.2896 8.0702 117.8136 65.9608 31.2513 177.3466 48 H 3.8202 8.1560 118.0606 59.2819 29.5850 176.9903 49 D 4.1828 8.2542 120.9943 57.5207 40.6408 178.1800 50 C 4.0688 7.7412 117.0055 59.8263 39.8594 175.3109 51 C 4.1222 8.0126 119.6384 59.9597 41.0849 174.9751 52 Y 4.4022 7.8956 118.4683 61.0596 37.2072 178.7506 53 G 3.8704 8.0838 105.6975 47.4975 0.0000 174.7215 54 N 4.6522 7.7362 116.1792 53.8594 40.0116 175.3043 55 L 4.7479 7.7215 120.4506 51.6936 41.5373 173.9588 56 P 4.2450 0.0000 0.0000 65.7755 31.9036 178.8351 *59 D 4.5951 7.8102 114.9583 54.3215 42.5451 175.7280 *61 C 4.8406 7.7120 115.0817 57.3044 41.8146 172.7986 *67 N 5.1435 8.3516 117.4255 52.8616 38.7264 173.5529 68 P 4.0863 0.0000 0.0000 64.7961 32.2967 179.8670 69 K 4.1743 7.9753 118.9174 58.1892 32.2825 178.2646 70 S 4.5769 7.7695 110.3152 57.8616 64.8426 173.4849 71 D 4.4457 8.2128 121.8536 53.7803 41.0152 175.6105 72 R 4.5135 8.7168 125.9255 54.9699 30.9770 175.2816 73 Y 4.9374 7.6598 119.2032 54.9744 41.2233 174.3740 74 K 4.9693 8.6147 118.2060 54.8314 35.4046 175.1757 75 Y 5.5461 8.4339 120.6469 55.3641 41.7253 173.7071 76 K 4.7197 9.3782 118.9871 55.3685 36.9973 174.7336 77 R 5.1336 8.5631 118.9262 54.4379 32.2973 176.1455 78 V 4.1545 8.6655 124.1769 61.8412 32.5548 174.8583 79 N 4.2413 9.6018 125.4710 54.3991 35.6155 175.8250 80 G 4.0184 8.6169 107.8854 45.4282 0.0000 174.7170 81 A 4.2504 7.6607 123.0147 51.6670 19.1818 176.4209 82 I 4.4639 8.1962 122.9387 61.1237 38.1869 175.6242 83 V 4.3865 9.2440 127.1075 61.0560 34.1372 173.8407 84 C 4.8732 8.8739 126.1964 57.0138 40.6137 173.5653 85 E 4.5394 8.9399 123.7908 55.0295 30.7131 176.5481 86 K 4.0404 8.5306 123.4590 56.6275 33.4324 175.8150 *88 G 4.2018 8.2984 114.7311 45.3658 0.0000 172.4876 89 T 4.1806 8.3713 113.4409 60.9513 71.0918 175.4258 90 S 4.0514 8.5813 115.1643 61.9451 62.2109 176.7489 91 C 4.1917 8.1645 118.2548 60.2824 39.9756 175.8009 92 E 4.0197 8.0879 119.7567 59.5996 29.0161 179.3353 93 N 4.2830 8.3260 116.4395 56.4262 38.6556 177.7671 94 R 3.9183 7.8860 119.2738 58.9279 30.1699 179.0768 95 I 3.5898 8.0714 120.0915 64.5018 37.1505 177.3268 96 C 2.8976 7.5117 119.0971 59.5245 40.7062 175.5543 97 E 3.7895 7.8797 119.7680 59.4968 29.0103 178.5667 98 C 4.0990 7.9483 116.3872 60.2416 40.7134 176.1233 99 D 3.8640 7.8582 120.1740 56.9712 40.4376 178.5213 100 K 3.7156 8.2877 120.3527 59.5219 32.0444 178.5296 101 A 3.8654 7.8440 120.5376 55.0765 18.2925 179.3821 102 A 3.4561 7.7961 119.0083 55.0555 18.3789 179.6863 103 A 3.8457 8.0909 119.3558 55.3559 18.4563 179.9557 104 I 3.6011 7.6752 118.2575 64.5532 36.9410 177.7285 105 C 4.1585 7.9635 118.3692 59.7695 38.5460 175.3353 106 F 4.6147 8.0811 119.6339 60.7513 38.0608 177.6504 107 R 3.9467 8.1138 118.3510 59.4877 29.6657 178.3562 108 Q 4.1876 8.5609 118.7494 58.0526 29.1561 176.3234 109 N 5.0491 7.6312 116.1927 52.7628 39.4179 176.1417 110 L 4.1445 7.7614 123.0994 57.9529 42.3470 179.0818 111 N 4.3979 8.3292 115.5446 55.2905 37.3315 175.5487 112 T 4.4274 7.5791 106.0554 60.8823 69.1603 174.0022 113 Y 4.0700 7.7272 125.3700 58.3550 39.2372 175.1055 114 S 4.9650 8.6864 121.2742 56.0758 65.6433 175.4137 115 K 3.9797 8.6861 123.3007 58.8458 32.1177 178.9768 116 K 3.7798 7.8275 119.0944 58.9269 32.2240 176.6609 117 Y 4.2670 7.5082 114.9485 57.8179 38.1711 175.3182 118 M 4.3851 7.4315 120.6845 56.3539 32.5867 176.0143 119 L 3.7333 8.4862 121.3571 55.6749 40.1122 174.6989 120 Y 4.2105 8.0174 117.3463 56.7070 39.9719 173.5841 121 P 4.3423 0.0000 0.0000 62.6804 32.3311 177.1816 122 D 4.2531 8.7922 122.0464 57.0339 41.4336 177.8945 *124 F 4.7887 7.8254 111.6438 56.4232 39.5496 175.2469 125 L 3.8374 6.5540 118.4949 54.8126 41.4205 176.6416 126 C 4.6002 7.7410 118.1829 55.2309 33.6859 172.4706 127 K 4.6622 8.2294 124.7645 55.2009 35.4728 175.0271 128 G 4.1570 9.5428 108.0095 44.4713 0.0000 171.8441 129 E 4.7747 8.2498 119.3793 55.3323 32.4901 175.4748 130 L 4.3498 8.1701 125.7733 53.9953 44.2938 175.3920 131 K 4.3314 8.5030 125.5500 55.9923 33.4380 177.7873 *133 C 4.8269 8.4427 116.3592 57.5731 41.5310 174.0713 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 8.09 5.11 0.00 4.22 4.08 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 2 L 8.34 4.09 0.00 1.81 1.91 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.50 4.03 0.00 1.66 1.72 0.91 0.82 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 4 E 8.02 4.08 0.00 1.74 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 1.85 2.29 0.00 5 F 8.67 4.72 0.00 3.43 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 6 G 8.57 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 7 K 7.93 4.00 0.00 1.85 2.11 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.55 7.81 8 M 8.31 4.06 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.11 0.00 9 I 7.61 3.57 1.75 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 -0.01 0.60 0.00 0.00 10 L 7.69 4.31 0.00 1.77 1.84 0.89 0.89 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 11 E 8.19 3.98 0.00 2.26 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 0.00 2.40 2.52 0.00 12 E 8.49 4.14 0.00 1.90 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 2.50 2.44 0.00 13 T 8.24 4.45 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 14 G 8.44 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 *16 K 7.43 4.32 0.00 1.89 1.63 0.00 1.51 0.00 0.00 0.93 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.45 7.81 17 L 8.13 4.32 0.00 1.77 1.58 0.92 0.70 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 8.86 4.04 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 19 I 7.67 4.61 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 1.54 0.71 0.95 0.00 0.00 20 P 0.00 4.86 0.00 2.17 2.15 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 21 S 7.82 4.30 0.00 3.56 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 22 Y 8.27 4.68 0.00 2.84 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 23 S 8.16 4.85 0.00 4.12 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 24 S 7.90 4.65 0.00 4.07 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 25 Y 7.93 4.89 0.00 3.20 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 26 G 8.02 3.40 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 0.00 27 C 9.61 4.49 0.00 2.84 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 28 Y 8.48 4.34 0.00 3.43 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 29 C 8.42 4.61 0.00 3.43 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.34 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 0.00 31 W 8.69 4.52 0.00 3.25 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 32 G 7.39 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.57 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.36 4.43 0.00 1.87 1.63 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.13 1.25 7.81 35 G 8.46 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 0.00 0.00 0.00 36 T 7.78 4.25 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 1.13 0.00 0.00 37 P 0.00 4.67 0.00 1.92 1.89 0.00 3.44 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 38 K 8.73 3.85 0.00 0.79 0.74 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 0.27 7.81 39 D 7.42 4.48 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 3.99 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 7.98 4.01 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 1.00 0.00 0.00 42 D 8.70 4.60 0.00 3.00 2.78 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 43 R 8.43 3.94 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 44 C 8.31 4.21 0.00 3.27 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 45 C 8.32 4.37 0.00 3.46 3.50 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 46 F 8.49 3.69 0.00 2.50 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 47 V 8.07 3.29 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 0.83 0.00 0.00 1.03 0.00 0.00 48 H 8.16 3.82 0.00 3.12 3.30 0.00 5.64 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 8.25 4.18 0.00 2.66 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 50 C 7.74 4.07 0.00 2.80 2.87 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 0.00 0.00 0.00 51 C 8.01 4.12 0.00 2.92 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 52 Y 7.90 4.40 0.00 3.10 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 53 G 8.08 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.74 4.65 0.00 2.86 2.85 0.00 0.00 6.78 8.47 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 55 L 7.72 4.75 0.00 1.55 1.52 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.24 0.00 2.15 2.11 0.00 3.73 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 2.11 2.13 0.00 *59 D 7.81 4.60 0.00 2.71 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 *61 C 7.71 4.84 0.00 3.13 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 *67 N 8.35 5.14 0.00 2.82 2.78 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 4.09 0.00 0.87 1.35 0.00 3.49 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 1.29 1.17 0.00 69 K 7.98 4.17 0.00 1.85 1.94 0.00 1.66 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.65 1.52 7.81 70 S 7.77 4.58 0.00 3.93 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 71 D 8.21 4.45 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 72 R 8.72 4.51 0.00 1.81 1.76 0.00 3.22 0.00 0.00 2.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 73 Y 7.66 4.94 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 74 K 8.61 4.97 0.00 1.78 1.80 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.36 7.81 75 Y 8.43 5.55 0.00 3.08 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 76 K 9.38 4.72 0.00 1.79 1.91 0.00 1.28 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.43 7.81 77 R 8.56 5.13 0.00 1.73 1.93 0.00 3.38 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 78 V 8.67 4.15 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 1.02 0.00 0.00 0.95 0.00 0.00 79 N 9.60 4.24 0.00 2.93 2.92 0.00 0.00 7.30 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 8.62 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 0.00 0.00 0.00 81 A 7.66 4.25 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 82 I 8.20 4.46 1.83 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 1.20 0.58 0.77 0.00 0.00 83 V 9.24 4.39 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 1.10 0.00 0.00 1.01 0.00 0.00 84 C 8.87 4.87 0.00 2.86 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 85 E 8.94 4.54 0.00 2.08 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 2.36 2.33 0.00 86 K 8.53 4.04 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.30 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 89 T 8.37 4.18 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 1.27 0.00 0.00 90 S 8.58 4.05 0.00 3.90 3.90 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 91 C 8.16 4.19 0.00 2.99 3.10 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 92 E 8.09 4.02 0.00 2.33 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 0.00 2.63 2.66 0.00 93 N 8.33 4.28 0.00 2.85 2.82 0.00 0.00 7.04 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 7.89 3.92 0.00 1.84 1.92 0.00 3.10 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 95 I 8.07 3.59 1.90 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 1.20 0.61 1.00 0.00 0.00 96 C 7.51 2.90 0.00 1.80 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 97 E 7.88 3.79 0.00 1.94 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 2.41 2.43 0.00 98 C 7.95 4.10 0.00 3.20 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 99 D 7.86 3.86 0.00 2.83 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 0.00 100 K 8.29 3.72 0.00 1.66 1.91 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.84 3.87 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 0.00 102 A 7.80 3.46 1.06 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 0.00 0.00 103 A 8.09 3.85 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 0.00 104 I 7.68 3.60 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.87 0.00 0.00 105 C 7.96 4.16 0.00 2.92 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 0.00 106 F 8.08 4.61 0.00 3.02 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 0.00 107 R 8.11 3.95 0.00 1.96 2.09 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.56 4.19 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.63 5.05 0.00 2.92 2.84 0.00 0.00 6.48 7.26 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 0.00 110 L 7.76 4.14 0.00 1.99 1.71 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.33 4.40 0.00 2.91 2.98 0.00 0.00 5.94 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 7.58 4.43 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 1.26 0.00 0.00 113 Y 7.73 4.07 0.00 3.02 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 0.00 114 S 8.69 4.96 0.00 3.93 3.96 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 0.00 115 K 8.69 3.98 0.00 1.85 1.93 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.57 7.81 116 K 7.83 3.78 0.00 1.46 1.40 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.36 1.11 7.81 117 Y 7.51 4.27 0.00 1.85 1.67 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 0.00 118 M 7.43 4.39 0.00 2.09 2.20 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 2.79 2.66 0.00 119 L 8.49 3.73 0.00 1.81 1.77 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.02 4.21 0.00 3.04 3.01 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 0.00 121 P 0.00 4.34 0.00 1.60 2.15 0.00 3.17 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 1.83 2.07 0.00 122 D 8.79 4.25 0.00 2.70 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 *124 F 7.83 4.79 0.00 3.19 3.12 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 0.00 0.00 0.00 125 L 6.55 3.84 0.00 1.04 1.45 0.37 0.23 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 7.74 4.60 0.00 3.05 3.17 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 0.00 0.00 0.00 0.00 127 K 8.23 4.66 0.00 1.74 1.58 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.44 7.81 128 G 9.54 4.16 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 0.00 129 E 8.25 4.77 0.00 1.89 1.79 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 2.23 2.38 0.00 130 L 8.17 4.35 0.00 1.38 1.17 0.78 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 4.33 0.00 1.90 1.77 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.55 1.49 7.81 *133 C 8.44 4.83 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.