NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6969 8.1933 115.4325 57.6604 64.5744 174.0047 2 L 4.0197 8.5634 119.4261 57.0486 41.1828 178.1751 3 L 3.9517 8.5437 122.0402 58.3198 42.5250 178.6641 4 E 4.0409 8.0170 117.9746 59.2836 29.4412 178.9379 5 F 4.6624 8.5940 120.8974 61.5014 39.5162 177.4024 6 G 3.5152 8.5889 105.7698 47.5392 0.0000 175.5813 7 K 4.0131 7.9788 121.5225 59.6161 32.1780 178.8339 8 M 4.2516 8.1738 119.0001 58.5345 31.8050 178.7950 9 I 3.6136 7.7344 119.8833 64.2165 37.1381 178.3035 10 L 4.7258 7.8335 122.4504 57.8603 41.7355 178.8656 11 E 3.9817 8.1750 117.4650 59.3326 29.4469 178.7131 12 E 4.2396 8.4388 118.1095 58.4038 29.9342 178.1205 13 T 4.4160 8.3388 108.2400 60.9866 70.2762 175.9611 14 G 3.7841 8.0952 109.9280 45.6569 0.0000 173.0449 *16 K 4.5098 7.4315 117.6709 55.9123 33.5681 174.9513 17 L 4.3526 8.1863 121.8854 54.2408 42.3952 177.4762 18 A 4.0133 8.8828 127.3744 54.7964 18.3342 176.9225 19 I 4.5873 7.5621 115.2234 59.1618 38.6929 173.7785 20 P 5.0528 0.0000 0.0000 62.0519 31.9549 177.6549 21 S 3.8509 7.9024 115.9456 61.5025 62.7092 174.7326 22 Y 4.6642 8.5353 114.8587 57.5880 38.9732 176.0560 23 S 4.6011 7.8241 114.4015 58.6552 63.8133 175.7607 24 S 4.6275 7.7014 113.9986 58.8767 64.2498 172.2788 25 Y 4.5863 8.2939 123.9469 58.2734 39.5116 175.5652 26 G 3.3127 8.0626 117.7104 46.6399 0.0000 172.7881 27 C 4.4441 8.9847 115.3531 58.4169 40.8532 173.8601 28 Y 4.4043 8.5693 115.0444 58.1376 39.5425 175.9944 29 C 4.8706 8.1478 119.4051 53.5638 39.5101 173.4661 30 G 4.1511 7.3615 113.9055 46.3911 0.0000 171.5275 31 W 4.8423 9.3078 119.8671 58.3308 30.0833 176.6951 32 G 3.9143 8.2724 106.3284 46.1027 0.0000 173.1103 33 G 4.2816 7.8746 100.8736 44.5843 0.0000 172.7024 34 K 4.5329 7.0806 117.8302 56.3130 36.7345 177.4321 35 G 4.1692 9.1340 110.0032 44.8755 0.0000 172.8108 36 T 4.2315 8.0926 115.1356 61.6494 69.1797 173.5149 37 P 4.5922 0.0000 0.0000 62.8582 31.9086 176.7657 38 K 3.7847 9.3644 123.1349 59.2917 32.2211 176.3142 39 D 4.4304 7.2846 115.2745 51.6040 41.7840 174.9766 40 A 4.0032 8.8195 119.7432 56.2182 18.0796 179.9610 41 T 3.9877 8.0445 113.5611 66.9793 68.5794 176.1767 42 D 4.5786 8.8844 120.1092 57.5845 41.1645 178.5436 43 R 3.9949 8.4295 118.9190 59.2407 29.9258 178.3251 44 C 4.2511 8.2527 116.6471 60.2921 40.8674 175.5447 45 C 4.3180 8.1937 118.2460 59.6853 40.7947 175.7963 46 F 3.6419 8.2875 122.4180 61.2559 38.8519 177.3225 47 V 3.3140 8.1031 118.1158 66.1583 31.2100 177.3135 48 H 3.8187 8.1496 117.9885 59.2913 29.6035 176.9857 49 D 4.1469 8.0692 120.7327 57.5004 40.4184 178.0925 50 C 4.1050 7.5389 115.9134 59.8531 41.0958 175.1153 51 C 4.3047 8.2197 120.2960 60.0000 44.2622 175.1955 52 Y 4.2172 8.1188 118.5712 61.1184 37.2524 178.9121 53 G 3.7898 8.5801 105.3528 46.7145 0.0000 174.2942 54 N 4.9156 7.6964 117.2886 52.4830 40.0203 175.2899 55 L 4.8449 7.5917 118.4720 53.1477 42.0793 175.6473 56 P 4.1846 0.0000 0.0000 65.7161 32.0981 178.0268 *59 D 4.7105 7.8780 115.7239 53.2074 41.1734 175.2122 *61 C 5.2716 7.5210 116.5944 57.6052 40.0555 172.7451 *67 N 5.0143 7.9535 114.5524 52.5340 38.0136 173.1628 68 P 3.9302 0.0000 0.0000 65.4637 31.6815 179.0080 69 K 4.2514 7.8601 113.8879 58.0498 32.4800 177.7391 70 S 4.6428 7.3894 114.3106 59.6741 64.8725 174.9440 71 D 4.4333 8.6527 120.4135 54.8455 40.9862 176.5666 72 R 4.4123 8.4141 122.7555 55.8041 31.3476 174.9895 73 Y 4.9178 7.5999 117.1134 56.1080 40.0516 173.6412 74 K 4.9556 8.6582 118.9337 55.0861 35.8637 174.8088 75 Y 5.3026 8.0895 119.5973 56.1009 41.4359 173.0290 76 K 4.6928 9.3790 118.5428 55.6191 37.0679 174.8625 77 R 5.1637 8.5685 118.4438 54.4205 32.6805 175.9185 78 V 4.3394 8.6368 123.3616 62.2325 34.1735 175.0130 79 N 4.2799 9.9295 122.9834 54.4476 36.0178 175.2509 80 G 3.9145 8.6683 103.3587 45.4946 0.0000 173.8011 81 A 4.8295 7.8071 121.9317 49.5663 22.0215 175.9140 82 I 4.3577 8.2291 121.0880 61.5310 38.1840 176.0681 83 V 4.3199 9.4500 126.1704 61.1258 34.4282 173.8857 84 C 4.8882 8.8906 126.5836 56.8054 40.3381 173.8981 85 E 4.3632 8.2972 124.6101 55.4729 30.4692 177.1059 86 K 3.8940 8.5596 123.0277 56.6291 33.2246 175.5128 *88 G 4.2644 8.3056 115.7188 45.4138 0.0000 172.5726 89 T 4.1856 8.0097 112.8400 61.0419 71.0558 175.5541 90 S 4.0257 8.5304 115.7924 61.8781 62.2830 176.9991 91 C 4.1946 8.0936 118.3616 60.1080 40.2822 175.6188 92 E 3.9004 8.1306 119.9510 59.7018 29.0990 179.3603 93 N 4.2441 8.2916 116.3555 56.3677 38.5995 177.8078 94 R 3.8391 8.0048 119.4300 59.1633 30.0978 179.1432 95 I 3.5186 7.8545 120.0322 64.3283 37.0744 177.5457 96 C 3.3641 7.4319 119.1244 59.5398 44.5341 175.5676 97 E 3.8445 7.9292 120.0125 59.4598 28.9635 178.7224 98 C 4.1964 8.1761 116.5812 60.0911 40.6891 175.9554 99 D 3.7835 8.1212 120.5121 56.9140 40.3795 178.6352 100 K 3.7680 8.4484 120.2460 59.5364 32.1763 178.5716 101 A 3.8813 8.0264 120.7431 55.0829 18.1707 179.5495 102 A 3.4813 7.6835 118.5336 54.9843 18.4218 179.6823 103 A 3.7964 8.0904 119.4982 55.4138 18.3759 179.9952 104 I 3.6398 7.7817 118.3274 64.4451 36.9005 177.7914 105 C 4.3333 7.8214 118.5479 59.6481 37.8843 175.2887 106 F 4.5963 8.0064 119.6832 60.7074 38.4728 177.5342 107 R 3.9321 8.0006 118.1257 59.7750 29.7086 178.6264 108 Q 4.1670 8.3458 116.3951 57.9853 28.8065 177.5272 109 N 5.1193 7.6763 115.6246 53.0614 39.1503 176.4494 110 L 4.1281 7.9523 123.7566 57.7119 41.3852 179.0182 111 N 4.4795 8.3563 115.3675 55.0999 37.3026 175.5141 112 T 4.5897 7.8578 106.8324 60.9926 69.4171 173.2741 113 Y 4.1083 8.0168 124.2535 58.0838 39.2982 175.0624 114 S 4.7589 8.8680 121.9891 56.0071 64.7009 174.8320 115 K 4.0391 8.7899 127.3883 59.2956 32.0082 178.9518 116 K 3.9397 7.6840 116.3577 58.9487 32.6736 176.9148 117 Y 4.4508 7.2673 116.8542 58.0775 38.1245 175.4350 118 M 4.4598 7.5303 120.1501 55.7245 32.7514 175.5031 119 L 3.6672 8.4606 118.6561 55.8603 40.0085 174.7308 120 Y 4.0993 8.0754 119.6088 56.2609 39.4064 173.1088 121 P 4.3885 0.0000 0.0000 62.3357 32.2992 176.8481 122 D 4.2511 8.8505 122.4484 56.9559 41.3714 177.6923 *124 F 4.9500 7.8782 112.0951 56.5321 39.5376 175.5419 125 L 3.7243 6.8588 119.1672 55.1972 41.4844 175.8492 126 C 4.9006 8.2649 117.6862 54.8689 35.8439 173.3095 127 K 4.6922 8.4120 123.0145 55.4028 35.7277 176.1011 128 G 4.1959 8.8447 107.5244 45.4844 0.0000 172.6764 129 E 4.4416 8.5981 121.4089 55.2307 30.4932 175.5918 130 L 4.6325 8.5007 125.7872 52.4551 43.3623 175.8880 131 K 4.1230 8.4132 125.9163 57.1170 33.4777 177.8556 *133 C 4.9196 8.5246 116.7399 57.5987 41.5340 173.7719 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 8.19 4.70 0.00 4.09 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 2 L 8.56 4.02 0.00 1.92 1.85 1.04 0.19 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 3 L 8.54 3.95 0.00 1.72 1.65 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.02 4.04 0.00 1.68 1.74 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 1.47 2.15 0.00 5 F 8.59 4.66 0.00 3.33 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 6 G 8.59 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.01 0.00 2.05 2.19 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.54 7.81 8 M 8.17 4.25 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.01 0.00 9 I 7.73 3.61 1.82 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.35 0.67 0.00 0.00 10 L 7.83 4.73 0.00 1.76 1.82 0.95 0.77 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 11 E 8.18 3.98 0.00 2.18 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 0.00 2.40 2.75 0.00 12 E 8.44 4.24 0.00 1.92 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 2.52 2.43 0.00 13 T 8.34 4.42 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 1.26 0.00 0.00 14 G 8.10 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 *16 K 7.43 4.51 0.00 1.88 1.66 0.00 1.46 0.00 0.00 1.10 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.28 7.81 17 L 8.19 4.35 0.00 1.68 1.73 0.91 1.01 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 18 A 8.88 4.01 1.17 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 0.00 0.00 19 I 7.56 4.59 1.86 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 1.42 0.64 0.91 0.00 0.00 20 P 0.00 5.05 0.00 2.22 2.28 0.00 3.85 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 2.01 1.93 0.00 21 S 7.90 3.85 0.00 3.92 3.37 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 22 Y 8.54 4.66 0.00 2.72 2.55 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 0.00 0.00 0.00 0.00 23 S 7.82 4.60 0.00 3.92 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 24 S 7.70 4.63 0.00 4.04 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 0.00 25 Y 8.29 4.59 0.00 2.92 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 26 G 8.06 3.31 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 27 C 8.98 4.44 0.00 2.95 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 28 Y 8.57 4.40 0.00 3.36 3.15 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 29 C 8.15 4.87 0.00 3.45 3.49 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 30 G 7.36 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 31 W 9.31 4.84 0.00 3.21 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 32 G 8.27 3.91 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 0.00 0.00 0.00 33 G 7.87 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 0.00 0.00 0.00 0.00 34 K 7.08 4.53 0.00 1.76 1.68 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 35 G 9.13 4.17 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 0.00 0.00 0.00 36 T 8.09 4.23 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 4.59 0.00 1.91 2.06 0.00 3.45 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 1.47 1.78 0.00 38 K 9.36 3.78 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.95 0.21 7.81 39 D 7.28 4.43 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.82 4.00 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 8.04 3.99 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 0.86 0.00 0.00 42 D 8.88 4.58 0.00 2.96 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 43 R 8.43 3.99 0.00 2.07 1.98 0.00 3.13 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 44 C 8.25 4.25 0.00 3.31 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 45 C 8.19 4.32 0.00 3.36 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 8.29 3.64 0.00 2.49 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 47 V 8.10 3.31 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 0.93 0.00 0.00 1.04 0.00 0.00 48 H 8.15 3.82 0.00 3.11 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.07 4.15 0.00 2.71 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 7.54 4.10 0.00 2.81 2.92 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 0.00 0.00 0.00 51 C 8.22 4.30 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 52 Y 8.12 4.22 0.00 3.09 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 53 G 8.58 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 54 N 7.70 4.92 0.00 2.80 2.79 0.00 0.00 6.75 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 55 L 7.59 4.84 0.00 1.59 1.49 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.20 2.30 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 *59 D 7.88 4.71 0.00 2.85 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 *61 C 7.52 5.27 0.00 2.91 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 *67 N 7.95 5.01 0.00 3.15 2.81 0.00 0.00 7.58 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 3.93 0.00 1.17 0.49 0.00 3.42 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 69 K 7.86 4.25 0.00 1.91 2.10 0.00 2.00 0.00 0.00 1.93 0.00 0.00 3.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.81 1.71 7.81 70 S 7.39 4.64 0.00 4.04 3.91 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 71 D 8.65 4.43 0.00 2.65 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 72 R 8.41 4.41 0.00 1.81 1.83 0.00 3.38 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 73 Y 7.60 4.92 0.00 3.03 2.92 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 0.00 0.00 0.00 74 K 8.66 4.96 0.00 1.73 1.72 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.34 7.81 75 Y 8.09 5.30 0.00 3.13 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 76 K 9.38 4.69 0.00 1.80 1.89 0.00 1.26 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 77 R 8.57 5.16 0.00 1.72 1.91 0.00 3.47 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 78 V 8.64 4.34 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 1.09 0.00 0.00 0.96 0.00 0.00 79 N 9.93 4.28 0.00 2.88 2.87 0.00 0.00 7.11 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 8.67 3.91 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 0.00 0.00 0.00 81 A 7.81 4.83 1.23 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 82 I 8.23 4.36 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.75 0.00 0.00 83 V 9.45 4.32 2.24 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 1.01 0.00 0.00 1.00 0.00 0.00 84 C 8.89 4.89 0.00 3.00 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 85 E 8.30 4.36 0.00 2.12 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 2.39 2.48 0.00 86 K 8.56 3.89 0.00 1.84 1.71 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.50 7.81 *88 G 8.31 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 0.00 0.00 0.00 0.00 89 T 8.01 4.19 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 8.53 4.03 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.09 4.19 0.00 2.98 3.07 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 92 E 8.13 3.90 0.00 2.27 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 0.00 2.65 2.42 0.00 93 N 8.29 4.24 0.00 2.89 2.80 0.00 0.00 7.10 8.27 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 94 R 8.00 3.84 0.00 1.88 1.88 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 95 I 7.85 3.52 1.58 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.81 0.00 0.00 96 C 7.43 3.36 0.00 2.06 2.93 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 97 E 7.93 3.84 0.00 2.08 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 2.42 2.42 0.00 98 C 8.18 4.20 0.00 3.20 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 99 D 8.12 3.78 0.00 2.82 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 0.00 100 K 8.45 3.77 0.00 1.67 1.91 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 8.03 3.88 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 7.68 3.48 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 3.80 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 7.78 3.64 1.86 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 1.37 0.76 0.88 0.00 0.00 105 C 7.82 4.33 0.00 2.97 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 0.00 106 F 8.01 4.60 0.00 3.02 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 0.00 107 R 8.00 3.93 0.00 1.99 2.12 0.00 3.10 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 108 Q 8.35 4.17 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 109 N 7.68 5.12 0.00 2.91 2.88 0.00 0.00 6.84 7.54 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 0.00 110 L 7.95 4.13 0.00 1.82 1.75 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.48 0.00 2.85 3.00 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 7.86 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 8.02 4.11 0.00 3.01 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 0.00 114 S 8.87 4.76 0.00 3.86 3.65 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 0.00 115 K 8.79 4.04 0.00 1.88 1.86 0.00 1.77 0.00 0.00 2.05 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.63 7.81 116 K 7.68 3.94 0.00 1.59 1.71 0.00 1.19 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.79 0.21 7.81 117 Y 7.27 4.45 0.00 1.85 1.76 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 0.00 118 M 7.53 4.46 0.00 2.06 2.10 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 2.72 2.66 0.00 119 L 8.46 3.67 0.00 1.77 1.76 0.94 1.15 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 8.08 4.10 0.00 3.07 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 0.00 121 P 0.00 4.39 0.00 2.34 2.23 0.00 2.91 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 1.28 1.74 0.00 122 D 8.85 4.25 0.00 2.75 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 *124 F 7.88 4.95 0.00 3.19 3.18 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 0.00 125 L 6.86 3.72 0.00 1.19 1.46 0.15 0.43 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 8.26 4.90 0.00 2.93 3.09 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 0.00 127 K 8.41 4.69 0.00 1.89 1.86 0.00 1.49 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 128 G 8.84 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 0.00 129 E 8.60 4.44 0.00 2.15 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 0.00 2.30 2.27 0.00 130 L 8.50 4.63 0.00 1.59 1.73 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.41 4.12 0.00 2.03 1.97 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.52 7.81 *133 C 8.52 4.92 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.