NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4150 8.3349 115.4137 57.8423 64.5516 172.5902 3 N 4.8813 7.9652 117.0892 52.1655 42.3109 172.0042 4 T 4.5438 8.9670 117.5978 62.8000 71.0488 174.6638 5 L 4.8556 7.9632 118.1768 53.9628 44.5213 176.3875 6 F 4.7454 7.6870 118.0104 57.5909 42.5856 171.9359 7 D 5.0027 7.4042 124.1862 52.6925 44.4506 173.4571 8 D 4.2738 7.7168 122.5411 54.1767 46.1065 174.4797 9 I 5.1868 7.9794 121.9188 59.5339 40.9795 175.0174 10 F 6.0459 9.8529 123.7193 54.8461 43.8324 173.4824 11 Q 5.7846 8.4634 119.8453 53.2299 32.3543 174.1873 12 V 4.1246 8.5936 126.6104 63.1009 31.8935 176.4796 13 S 4.2477 9.3431 125.1357 61.3330 63.3607 174.5181 14 E 4.7386 7.7815 116.9352 55.1650 32.6567 174.5336 15 V 4.5315 8.5659 126.1078 61.2665 33.8263 174.1925 16 D 4.8316 8.8671 126.6688 51.9045 44.0211 172.7892 17 P 5.3152 0.0000 0.0000 60.9647 30.3507 175.3472 18 G 3.6914 7.8857 117.1378 45.5534 0.0000 170.9948 19 R 3.9407 7.9902 120.8554 58.2885 27.9317 176.9313 20 Y 5.2025 7.3615 112.0028 56.9272 38.1031 176.6507 21 N 4.3257 7.7476 118.7094 54.5066 39.4967 175.9801 22 K 4.6877 8.0830 114.3880 55.7771 34.4101 175.8734 23 V 4.8102 8.4659 120.0954 61.7222 34.8917 173.6897 24 C 5.2098 9.0131 123.8418 58.0190 32.8404 172.6932 25 R 4.7987 8.7482 122.2696 55.2313 31.4608 175.2702 26 I 5.0313 8.9521 126.8584 59.7240 41.0538 174.5550 27 E 5.1315 8.6161 121.9647 55.0254 33.6239 174.6531 28 A 5.3013 8.8453 124.9659 50.4196 23.6423 173.6366 29 A 5.1384 8.8301 119.0041 50.4367 23.1904 175.0620 30 S 4.3956 8.3429 113.9609 56.7812 63.3409 175.3309 31 T 4.4674 7.4435 125.7734 61.6275 68.8262 173.2473 32 T 4.2061 7.3188 129.7144 63.7119 76.4400 177.6761 33 Q 4.1312 9.0074 129.1115 57.0463 29.6342 175.9877 34 D 4.8033 8.6717 120.7581 55.0592 41.0010 176.8052 35 Q 4.3343 7.6643 119.6679 57.9044 30.3378 175.6745 36 C 5.2663 8.1630 120.9461 59.6453 31.7574 172.4899 37 K 4.9828 8.5371 124.9367 54.4834 35.4151 174.9456 38 L 5.1177 8.6783 122.9654 53.8651 46.1585 175.6737 39 T 4.7009 8.8526 121.0379 62.0573 72.4308 172.6695 40 L 5.1176 9.2307 128.9550 53.2958 45.6787 175.4693 41 D 5.0575 8.8306 126.1136 54.9811 42.0788 176.0366 42 I 4.4071 8.9593 119.9713 60.2365 42.1406 173.2160 43 N 4.5194 9.6915 126.6788 53.8139 39.0084 174.6916 44 V 3.8134 7.9126 128.9390 63.5425 30.8459 176.5426 45 E 4.4855 8.5283 119.2145 56.5097 31.9959 175.8702 46 L 4.4140 8.4816 117.0021 55.6435 42.6695 177.1742 47 F 4.9245 7.5066 118.9412 55.6697 40.2082 171.5540 48 P 4.2731 0.0000 0.0000 62.7099 32.1950 176.4284 49 V 4.0110 7.8344 118.0080 61.9974 34.0807 173.1252 50 A 4.6985 7.6781 129.9494 49.5166 21.4654 175.7182 51 A 3.8241 8.4584 121.8931 53.9844 18.6068 176.3997 52 Q 3.4591 8.7520 123.6273 56.3854 26.3315 172.5892 53 D 4.8205 8.0281 120.6497 52.7521 46.1145 175.0721 54 S 5.0037 8.3343 116.0461 57.3324 61.2691 173.3989 55 L 4.6306 8.6336 126.1231 55.6005 43.8560 176.6774 56 T 5.0953 8.4608 118.6150 62.0813 70.9663 173.2513 57 V 4.6905 8.7542 127.2826 62.2681 32.9981 175.1023 58 T 5.5755 8.3467 122.4445 61.3405 73.4920 174.1399 59 I 5.1668 8.5937 124.8499 60.1809 40.4048 176.8173 60 A 4.0043 9.4457 135.0000 52.5881 18.2367 177.9835 61 S 4.9697 9.6823 115.5053 54.5935 62.4156 171.4014 62 S 4.8488 7.3161 129.2682 58.8316 62.2863 177.0656 63 L 4.1191 6.5863 135.0000 55.5952 41.1451 177.8374 64 N 4.4811 7.6828 115.8364 54.3266 40.0298 176.7886 65 L 3.6595 7.6689 114.7540 55.9961 39.3830 175.3326 *76 T 4.1250 7.5140 113.4561 63.6207 69.5574 170.9393 77 R 3.8451 7.9822 126.0628 54.9813 30.7066 176.9362 78 S 4.2279 8.6364 115.5457 58.3299 63.3936 173.6423 79 W 4.6269 8.7775 131.7112 56.5310 31.2485 175.8495 80 R 4.1665 7.8455 124.8072 54.1451 31.8727 175.8471 81 P 4.2823 0.0000 0.0000 61.2583 32.4048 175.5534 82 P 4.1987 0.0000 0.0000 64.1532 29.4994 177.1487 83 Q 3.8546 9.7143 121.2867 57.0158 28.2420 175.7603 84 A 4.3102 7.6703 115.5926 52.8243 17.8174 179.2052 85 G 3.7319 8.4790 110.7800 49.2979 0.0000 174.6321 86 D 4.7708 7.9632 115.4067 53.6591 42.2032 175.0788 87 R 4.5141 7.5119 117.7356 54.2861 32.2679 175.9013 88 S 4.2892 8.2401 112.7389 59.9278 63.2349 175.0674 89 L 4.5151 7.8030 118.1250 54.5771 43.7323 175.7147 90 A 4.4220 8.1419 120.5841 52.6526 18.1776 177.4177 91 D 5.0396 8.3728 118.1413 55.2685 39.9664 178.3543 92 D 4.8278 8.4626 116.8329 55.8730 40.4608 175.9030 93 Y 4.8576 8.8132 120.1074 57.1502 40.4754 174.8997 94 D 4.9839 9.2233 119.6800 54.8794 43.4989 175.7652 95 Y 4.4822 7.5840 120.7887 56.6189 41.7744 173.3151 96 V 5.2028 8.5825 126.7153 60.6772 34.2589 174.3649 97 M 4.7550 8.2167 127.1038 54.1385 35.7466 174.2281 98 Y 5.1863 8.4759 119.9945 57.5266 41.2093 173.5591 99 G 3.6360 8.6252 115.7890 45.7821 0.0000 170.9682 100 T 5.1034 8.9142 116.0518 60.5372 73.2941 172.7528 101 A 4.4927 8.1724 124.2135 50.5848 20.5116 175.7821 102 Y 4.4103 8.0330 120.5406 58.2560 39.5783 175.7980 103 K 4.7099 7.1017 121.6784 53.6867 35.8020 174.2959 104 F 4.9177 8.6002 122.9053 55.5047 38.3675 174.4854 105 E 4.1438 8.8276 123.1646 56.2738 31.4648 175.7252 106 E 4.8916 8.6556 125.2080 54.1759 29.8384 176.7990 107 V 3.8150 8.2550 129.7435 62.6647 30.1593 175.2533 108 S 3.5055 8.4696 119.1380 58.6313 64.9284 174.9476 109 K 3.5598 8.1452 119.1418 58.2158 30.9670 177.8148 110 D 4.9492 8.6418 119.7200 53.5312 38.8908 177.1342 111 L 5.2017 7.9176 118.6132 52.8945 45.5769 177.2789 112 I 4.8854 8.2937 124.9424 59.3359 39.6150 174.7284 113 A 5.2021 8.6531 128.0025 49.2177 22.2364 175.0789 114 V 4.2579 7.8888 114.2650 59.6065 34.5564 174.6175 115 Y 4.7984 8.2080 121.7922 57.2348 40.0279 174.2130 116 Y 4.8979 8.8524 118.7636 56.5902 43.2620 174.5284 117 S 4.8582 8.9091 115.6544 57.4413 66.3009 173.3235 118 F 4.5966 10.0069 128.8527 56.1673 38.2768 176.0458 119 G 3.7035 9.0056 115.7306 46.7254 0.0000 171.1375 120 G 3.8566 7.1153 104.2272 44.7234 0.0000 174.0869 121 L 4.7372 8.1219 121.0209 53.0566 44.0073 176.6413 122 L 5.7316 9.5242 125.1026 54.0299 43.9553 175.3318 123 M 5.0981 8.2197 116.3590 55.4653 35.5982 173.1429 124 R 4.7193 9.2174 123.9793 54.4990 34.1472 173.4258 125 L 5.0491 8.2124 126.7696 53.1423 45.7610 174.5609 126 E 4.7928 8.8215 125.1587 52.9352 33.4505 173.6320 127 G 4.1734 7.7656 117.1693 45.7306 0.0000 173.6747 128 N 4.8968 8.0243 132.3381 53.6190 40.2575 173.4316 129 Y 4.7804 6.9992 113.0559 57.3020 38.6628 175.9930 130 R 4.7297 7.3765 119.6774 56.2997 30.6458 178.2464 131 N 4.4213 8.4282 117.0607 55.8696 38.9408 176.5399 132 L 4.8233 7.9661 114.5976 54.4857 42.6814 175.7816 133 N 4.7663 8.0987 114.2234 54.9945 40.4814 175.4503 134 N 4.5776 7.8255 122.0310 52.7902 37.6070 174.5667 135 L 4.3816 8.3245 125.8254 54.7887 42.3566 177.0331 136 K 4.7263 8.3029 115.9483 56.5885 33.4089 176.4718 137 Q 4.2963 7.8805 117.9506 55.3253 29.1911 176.0360 138 E 4.0048 8.8119 118.8058 59.4748 29.9051 175.9557 139 N 4.6032 7.8603 113.2572 53.6459 38.7115 174.8049 140 A 5.0712 8.1496 121.6358 52.2134 20.7669 174.0637 141 Y 4.6178 8.6298 119.6278 57.4034 39.8730 174.4319 142 L 5.1179 8.8176 124.7383 53.3582 45.2406 175.0901 143 L 5.2015 8.0496 122.3886 53.1998 46.3241 175.5009 144 I 5.6900 8.5190 120.7297 59.4886 41.4616 174.3928 145 R 4.9293 8.3141 120.6302 55.5950 33.4185 175.3789 146 R 4.3167 8.5502 118.7744 56.9520 30.5657 176.3080 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 S 8.33 4.42 0.00 3.99 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 3 N 7.97 4.88 0.00 2.78 2.77 0.00 0.00 7.06 6.65 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 4 T 8.97 4.54 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 1.27 0.00 0.00 5 L 7.96 4.86 0.00 1.74 1.74 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.69 4.75 0.00 3.10 2.88 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 7 D 7.40 5.00 0.00 2.57 2.30 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 8 D 7.72 4.27 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 5.19 1.80 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 1.25 1.06 1.02 0.00 0.00 10 F 9.85 6.05 0.00 2.90 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 11 Q 8.46 5.78 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 12 V 8.59 4.12 2.20 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 0.98 0.00 0.00 0.98 0.00 0.00 13 S 9.34 4.25 0.00 3.89 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 14 E 7.78 4.74 0.00 2.02 1.77 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 2.20 2.22 0.00 15 V 8.57 4.53 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 0.84 0.00 0.00 1.01 0.00 0.00 16 D 8.87 4.83 0.00 2.83 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 17 P 0.00 5.32 0.00 2.11 2.06 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 18 G 7.89 3.69 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 0.00 0.00 0.00 19 R 7.99 3.94 0.00 1.83 2.09 0.00 3.07 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 20 Y 7.36 5.20 0.00 2.99 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 21 N 7.75 4.33 0.00 2.74 2.90 0.00 0.00 7.02 7.61 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 22 K 8.08 4.69 0.00 1.63 1.74 0.00 1.62 0.00 0.00 1.99 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.38 7.81 23 V 8.47 4.81 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 0.83 0.00 0.00 0.90 0.00 0.00 24 C 9.01 5.21 0.00 2.95 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 25 R 8.75 4.80 0.00 2.13 1.83 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 26 I 8.95 5.03 2.02 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 1.25 0.57 0.92 0.00 0.00 27 E 8.62 5.13 0.00 1.90 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 2.21 2.25 0.00 28 A 8.85 5.30 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 29 A 8.83 5.14 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 30 S 8.34 4.40 0.00 3.67 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 31 T 7.44 4.47 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 1.18 0.00 0.00 32 T 7.32 4.21 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 1.11 0.00 0.00 33 Q 9.01 4.13 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.10 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 34 D 8.67 4.80 0.00 2.68 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 Q 7.66 4.33 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 36 C 8.16 5.27 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 37 K 8.54 4.98 0.00 1.74 1.70 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.66 7.81 38 L 8.68 5.12 0.00 1.37 1.17 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.85 4.70 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 1.28 0.00 0.00 40 L 9.23 5.12 0.00 1.56 1.33 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.83 5.06 0.00 2.72 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 42 I 8.96 4.41 1.97 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 0.82 0.37 1.31 0.00 0.00 43 N 9.69 4.52 0.00 2.81 2.69 0.00 0.00 6.49 8.05 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 44 V 7.91 3.81 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 0.75 0.00 0.00 1.09 0.00 0.00 45 E 8.53 4.49 0.00 1.90 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 2.16 2.28 0.00 46 L 8.48 4.41 0.00 1.45 1.61 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.51 4.92 0.00 2.75 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 48 P 0.00 4.27 0.00 1.93 1.91 0.00 3.64 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 49 V 7.83 4.01 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 0.71 0.00 0.00 0.74 0.00 0.00 50 A 7.68 4.70 1.21 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 0.00 0.00 51 A 8.46 3.82 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 52 Q 8.75 3.46 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 8.03 4.82 0.00 2.58 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 54 S 8.33 5.00 0.00 3.90 3.92 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 55 L 8.63 4.63 0.00 1.82 1.75 1.03 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 56 T 8.46 5.10 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 57 V 8.75 4.69 2.52 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 0.96 0.00 0.00 0.72 0.00 0.00 58 T 8.35 5.58 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 1.34 0.00 0.00 59 I 8.59 5.17 1.97 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.93 0.00 0.00 60 A 9.45 4.00 1.43 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 61 S 9.68 4.97 0.00 4.08 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 62 S 7.32 4.85 0.00 4.01 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 63 L 6.59 4.12 0.00 1.36 1.56 0.96 0.86 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 64 N 7.68 4.48 0.00 2.64 2.78 0.00 0.00 7.29 7.85 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 65 L 7.67 3.66 0.00 1.80 1.84 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.51 4.12 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 1.31 0.00 0.00 77 R 7.98 3.85 0.00 2.02 1.97 0.00 3.28 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.64 4.23 0.00 4.07 3.99 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 79 W 8.78 4.63 0.00 3.33 3.23 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 80 R 7.85 4.17 0.00 1.58 1.57 0.00 3.19 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 81 P 0.00 4.28 0.00 1.84 1.21 0.00 3.38 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 82 P 0.00 4.20 0.00 2.15 1.64 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 83 Q 9.71 3.85 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.17 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 84 A 7.67 4.31 1.31 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 85 G 8.48 3.73 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 0.00 0.00 0.00 86 D 7.96 4.77 0.00 2.59 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 87 R 7.51 4.51 0.00 1.83 1.86 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 88 S 8.24 4.29 0.00 4.01 3.89 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 89 L 7.80 4.52 0.00 1.70 1.95 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.14 4.42 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 91 D 8.37 5.04 0.00 2.90 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 92 D 8.46 4.83 0.00 2.57 2.52 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 93 Y 8.81 4.86 0.00 2.75 3.08 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 94 D 9.22 4.98 0.00 2.49 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 95 Y 7.58 4.48 0.00 2.02 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 0.00 0.00 0.00 96 V 8.58 5.20 2.16 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 0.97 0.00 0.00 0.96 0.00 0.00 97 M 8.22 4.76 0.00 1.45 0.83 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.64 0.00 98 Y 8.48 5.19 0.00 2.36 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 99 G 8.63 3.64 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 0.00 0.00 0.00 100 T 8.91 5.10 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 1.14 0.00 0.00 101 A 8.17 4.49 0.26 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 0.00 102 Y 8.03 4.41 0.00 2.94 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 0.00 103 K 7.10 4.71 0.00 1.74 1.46 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.47 7.81 104 F 8.60 4.92 0.00 2.81 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 0.00 105 E 8.83 4.14 0.00 2.25 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 2.37 0.00 106 E 8.66 4.89 0.00 1.90 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 2.24 2.31 0.00 107 V 8.26 3.81 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 0.77 0.00 0.00 0.89 0.00 0.00 108 S 8.47 3.51 0.00 4.16 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 0.00 109 K 8.15 3.56 0.00 1.91 1.36 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.64 4.95 0.00 2.77 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 0.00 111 L 7.92 5.20 0.00 1.97 1.59 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.29 4.89 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.93 0.00 0.00 113 A 8.65 5.20 1.03 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 0.00 114 V 7.89 4.26 1.46 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 -0.28 0.00 0.00 0.74 0.00 0.00 115 Y 8.21 4.80 0.00 1.86 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 0.00 0.00 0.00 0.00 116 Y 8.85 4.90 0.00 2.79 2.46 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 0.00 0.00 0.00 0.00 117 S 8.91 4.86 0.00 3.87 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 0.00 118 F 10.01 4.60 0.00 3.00 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 0.00 119 G 9.01 3.70 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 0.00 0.00 0.00 120 G 7.12 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 0.00 121 L 8.12 4.74 0.00 1.96 1.75 1.00 0.64 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 0.00 122 L 9.52 5.73 0.00 1.83 1.81 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.22 5.10 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 124 R 9.22 4.72 0.00 1.62 1.51 0.00 2.88 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.00 125 L 8.21 5.05 0.00 1.47 1.14 0.77 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.82 4.79 0.00 1.99 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 127 G 7.77 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 0.00 128 N 8.02 4.90 0.00 2.78 2.85 0.00 0.00 6.70 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 0.00 129 Y 7.00 4.78 0.00 3.14 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 0.00 130 R 7.38 4.73 0.00 1.95 2.10 0.00 2.94 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 131 N 8.43 4.42 0.00 2.77 2.93 0.00 0.00 6.98 7.85 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 0.00 132 L 7.97 4.82 0.00 1.64 1.67 0.96 0.97 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 0.00 133 N 8.10 4.77 0.00 2.81 3.12 0.00 0.00 7.03 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.83 4.58 0.00 2.69 2.91 0.00 0.00 7.38 8.77 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 0.00 135 L 8.32 4.38 0.00 1.80 1.73 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.30 4.73 0.00 1.54 1.40 0.00 1.51 0.00 0.00 1.18 0.00 0.00 2.55 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.44 1.22 7.81 137 Q 7.88 4.30 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 138 E 8.81 4.00 0.00 2.01 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 2.46 2.25 0.00 139 N 7.86 4.60 0.00 2.89 2.96 0.00 0.00 6.72 7.35 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 0.00 140 A 8.15 5.07 1.71 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.63 4.62 0.00 2.93 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 0.00 142 L 8.82 5.12 0.00 1.77 1.05 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.05 5.20 0.00 0.86 0.42 0.85 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.52 5.69 1.45 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.83 0.86 0.00 0.00 145 R 8.31 4.93 0.00 1.81 2.02 0.00 2.83 0.00 0.00 2.72 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 146 R 8.55 4.32 0.00 2.06 2.09 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.