NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4944 8.0732 121.1678 56.7691 34.5777 177.6926 6 H 3.8686 8.1690 116.0554 58.8784 28.5570 176.1215 7 T 3.8786 8.6456 118.3118 66.6318 68.2199 176.1249 8 E 3.9501 8.0472 120.0485 59.2039 29.6104 179.2363 9 L 3.8986 7.9259 118.9228 58.0091 41.6857 179.7680 10 R 3.9138 7.9035 117.6578 59.1580 29.8983 179.0544 11 A 3.8479 8.0510 120.4263 55.0440 18.4975 179.5307 12 A 3.8924 7.8865 119.2673 55.1639 18.4233 180.1562 13 V 3.4728 7.6549 116.4242 66.1687 31.6712 178.1431 14 L 3.9550 8.5849 119.7272 58.0318 41.4454 179.4396 15 D 4.1822 8.4528 118.8499 57.3019 40.2928 178.7407 16 A 4.0176 7.8373 120.7666 54.9775 18.2661 179.6619 17 L 4.1309 7.9346 117.7048 57.7414 41.4871 179.4088 18 E 3.9182 7.4583 117.7283 58.8431 29.4251 178.6550 19 K 4.0210 7.7032 119.0251 59.7546 32.2827 178.0835 20 H 4.3029 7.8114 116.7033 57.7063 30.3149 174.3036 21 D 4.9551 7.6906 118.3201 52.7418 43.6133 176.1449 22 T 4.8241 8.5440 123.5168 63.8214 69.0622 174.8710 23 G 4.1389 8.9677 107.6461 44.9380 0.0000 172.5636 24 A 4.9728 8.1578 120.2572 50.3629 22.7548 176.0790 25 T 4.4167 8.2987 115.8206 62.0951 69.7621 174.7173 26 F 5.1589 8.8622 125.6380 57.2039 40.3475 175.3920 27 F 4.6391 9.4080 120.3788 55.8605 42.8324 173.9745 28 D 4.6986 8.7409 123.5284 55.1784 40.5011 175.0523 29 G 3.8918 8.6615 111.3270 43.8407 0.0000 171.4417 30 R 3.9013 7.8249 119.7955 53.9734 29.8881 174.4525 31 P 4.0385 0.0000 0.0000 62.5083 31.8795 175.7752 32 A 4.4107 8.0304 123.5701 53.0715 20.8312 178.2624 33 V 4.5532 6.9105 110.8104 58.9743 35.5542 178.6050 34 F 4.8956 8.6937 120.5038 55.2687 42.4893 174.3268 35 D 4.9654 9.3518 124.5434 53.1920 41.4659 178.4607 36 E 4.2017 8.9287 116.7833 59.2277 29.7571 180.4149 37 A 4.4146 7.9793 119.6221 54.7572 18.9274 178.3093 38 D 4.5018 8.0095 115.7859 57.2333 41.0518 177.5057 39 F 4.2800 7.0265 117.9154 56.4866 39.7143 173.2543 40 P 4.7463 0.0000 0.0000 62.5151 32.7596 174.8569 41 A 5.2159 8.4613 123.1680 50.1798 22.8345 175.1500 42 V 5.0223 8.5670 118.4755 61.1222 35.0651 174.2261 43 A 5.4701 9.6299 129.1969 50.1841 22.6683 174.7157 44 V 5.2522 8.9247 121.0247 60.4650 34.4080 174.2010 45 Y 5.1561 7.9839 124.1360 56.2740 41.5609 173.0093 46 L 5.4946 8.6329 118.8408 53.3259 45.0697 176.2800 47 T 4.6052 8.4885 110.6328 60.6453 72.6622 174.1247 48 G 4.1231 9.1062 109.4293 46.2875 0.0000 173.3546 49 A 4.5582 8.3377 122.4693 52.4668 18.7025 177.5913 50 E 4.6901 9.6926 120.8716 54.5593 33.8005 174.4820 51 Y 2.7083 7.3593 123.2386 57.5593 39.2550 175.9442 52 T 3.9832 9.6780 116.9769 60.9951 70.8715 174.5788 53 G 4.2645 5.6509 108.3740 42.3580 0.0000 171.7468 54 E 5.2518 8.0960 120.9109 55.6776 31.9398 176.7321 55 E 4.3917 9.0713 115.6876 56.7767 31.0426 176.2983 56 L 4.5663 9.0461 115.6573 56.3910 42.8002 181.4561 57 D 4.6933 7.9280 118.2663 54.9270 42.7920 175.7771 58 S 4.8990 8.2776 120.1174 57.8940 66.3079 176.1497 59 D 5.3612 8.6480 120.9021 54.2877 41.9143 175.5737 60 T 4.5605 9.6093 121.0607 60.0228 69.5152 170.7182 61 W 4.6494 9.2909 126.6313 53.7059 33.4891 174.3553 62 Q 5.1242 9.1747 122.5900 54.6710 32.1321 173.9104 63 A 5.0481 9.2709 125.9522 51.0639 24.0454 174.1865 64 E 4.9123 9.2313 120.3285 54.5248 31.8595 174.5235 65 L 4.7432 9.1034 130.8330 54.6714 43.6826 174.8103 66 H 5.1695 9.1425 124.0993 54.0330 31.5595 173.8692 67 I 4.6064 8.9886 123.1401 59.6807 40.2603 173.8268 68 E 4.8320 9.2913 129.0986 54.1374 32.5900 174.5671 69 V 4.5928 8.2224 126.8103 61.2834 33.6829 174.1764 70 F 5.1057 9.5124 127.6338 55.8674 41.6702 174.8182 71 L 5.0033 8.8363 121.5821 52.2370 46.9722 174.0329 72 P 3.9619 0.0000 0.0000 62.3812 31.8222 177.4826 73 A 3.8286 8.5182 124.2279 55.6638 18.1491 179.1469 74 Q 4.1784 7.7930 111.5543 57.1698 29.3537 177.0046 75 V 3.7830 7.2346 111.5103 60.3608 32.3629 174.3768 76 P 4.3738 0.0000 0.0000 62.3817 32.1151 177.2749 77 A 4.0715 8.6258 122.0504 55.6695 18.1648 180.3664 78 S 4.2161 8.0983 113.1713 61.6222 62.6487 176.2894 79 E 4.1618 8.1314 121.6522 59.0927 29.5155 178.6015 80 L 4.2698 7.9898 118.6814 57.8786 41.6308 178.8637 81 D 4.7264 8.4458 118.6899 57.0281 41.2634 178.5999 82 A 4.2775 8.7473 121.4066 54.6546 18.2587 179.0760 83 W 3.9980 7.9155 124.6857 58.3277 30.3419 177.2232 *85 E 4.4370 8.0918 119.8426 55.5202 30.7511 176.7380 86 S 4.4774 8.0666 111.5607 59.5836 63.7569 174.9609 87 R 4.6125 7.9804 116.7558 55.7126 31.6093 175.6558 88 I 4.3766 7.4858 116.5916 62.9194 39.5178 176.9646 89 Y 4.2532 8.2520 117.4790 60.9858 37.9093 176.5876 90 P 4.4001 0.0000 0.0000 65.6399 31.6514 176.8635 91 V 3.8310 7.9263 119.9434 64.0938 31.4631 178.6184 *93 S 4.3676 8.3277 118.4898 58.2196 64.2375 176.9882 94 D 4.4728 7.7516 118.9728 52.8965 41.6980 176.7455 95 I 4.4652 7.7856 127.8885 56.8956 37.5645 174.4578 96 P 4.1984 0.0000 0.0000 65.9746 30.7811 178.2038 97 A 4.0784 7.8606 118.8162 54.7573 18.6187 178.9304 98 L 3.9809 7.7515 118.2852 58.3850 42.1810 178.9130 99 S 4.1174 8.1038 115.1310 62.0521 62.5693 176.6351 100 D 4.4080 8.0093 120.1080 57.0927 40.5845 178.2956 101 L 4.2977 7.7739 118.4330 54.9114 42.0126 176.4541 102 I 4.6894 6.9415 111.1895 59.2385 40.0919 175.1752 103 T 4.5599 8.3374 110.3279 62.0062 70.2305 174.0087 104 S 4.5843 7.6279 115.4871 58.1356 66.3652 175.1542 *106 V 4.2747 7.8498 117.7310 61.4967 32.5699 175.2329 107 A 3.8923 8.7838 124.4486 52.8653 18.7363 175.2548 108 S 4.3846 8.5438 110.8817 58.5070 64.2057 175.4738 109 G 4.2513 8.1768 104.3615 45.0837 0.0000 169.9619 110 Y 4.6161 8.3448 119.8456 56.4720 41.3381 173.1165 111 D 4.9547 8.3318 126.8685 52.5125 44.5425 175.1671 112 Y 4.8529 8.4792 119.5744 56.8201 39.1953 175.1478 113 R 4.9573 8.7822 123.1827 54.4208 34.3799 174.6756 114 R 4.3828 8.0468 115.5431 54.7484 33.3637 174.8630 115 D 3.6273 7.0878 118.7763 52.8723 39.6770 176.3470 116 D 4.2650 8.2960 129.5459 57.6194 41.4410 178.9748 117 D 4.4309 8.3306 116.8980 55.6465 40.1091 180.0560 118 A 4.5196 8.2863 120.4819 51.1543 20.8683 176.7471 119 G 3.6600 8.0360 102.4974 46.6913 0.0000 174.6734 120 L 4.2561 8.5193 121.8746 55.3616 42.6203 176.6597 121 W 5.4688 7.1242 114.1642 54.7864 32.4638 173.8876 122 S 5.1610 9.4006 114.1625 56.8226 65.6246 172.7248 123 S 5.4922 9.8168 119.7143 55.9634 67.2290 172.1977 124 A 4.7302 8.1161 121.0447 49.9015 21.9858 174.5636 125 D 4.6781 8.6348 122.2862 52.1253 43.9534 174.3547 126 L 4.5810 8.5174 130.1500 54.2445 43.3178 175.4109 127 T 5.1328 8.2922 116.0671 60.0567 72.0472 172.5565 128 Y 4.9153 8.8916 120.8224 56.2475 42.0929 174.4883 129 V 4.7478 8.7304 123.7118 61.8002 32.7494 175.1702 130 I 5.1722 9.0093 121.1424 59.3349 41.2413 174.3256 131 T 5.3641 8.2928 112.5562 60.5718 72.3327 172.1699 132 Y 4.9616 8.4312 122.7453 57.6669 42.1105 174.8371 133 E 5.4128 8.8903 114.0360 55.5538 30.1494 174.0260 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 5 K 8.07 4.49 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.67 1.27 7.81 6 H 8.17 3.87 0.00 3.22 3.26 0.00 5.70 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 7 T 8.65 3.88 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 1.19 0.00 0.00 8 E 8.05 3.95 0.00 2.18 1.95 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 2.36 2.36 0.00 9 L 7.93 3.90 0.00 1.69 1.55 0.25 0.62 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 10 R 7.90 3.91 0.00 1.86 1.99 0.00 3.37 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 11 A 8.05 3.85 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 12 A 7.89 3.89 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 13 V 7.65 3.47 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 1.03 0.00 0.00 0.91 0.00 0.00 14 L 8.58 3.95 0.00 1.74 1.61 0.95 0.17 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 15 D 8.45 4.18 0.00 2.63 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 16 A 7.84 4.02 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 17 L 7.93 4.13 0.00 1.77 2.12 1.14 1.07 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 18 E 7.46 3.92 0.00 1.73 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 1.47 1.47 0.00 19 K 7.70 4.02 0.00 1.74 1.98 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 20 H 7.81 4.30 0.00 3.18 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.69 4.96 0.00 2.53 2.61 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 0.00 0.00 0.00 0.00 22 T 8.54 4.82 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 1.27 0.00 0.00 23 G 8.97 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 24 A 8.16 4.97 1.12 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 0.00 0.00 25 T 8.30 4.42 4.47 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 0.00 0.00 0.00 1.10 0.00 0.00 26 F 8.86 5.16 0.00 2.89 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 27 F 9.41 4.64 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 28 D 8.74 4.70 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 0.00 0.00 0.00 30 R 7.82 3.90 0.00 0.67 1.24 0.00 2.58 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 31 P 0.00 4.04 0.00 0.61 1.01 0.00 3.32 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.44 0.00 32 A 8.03 4.41 1.18 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 0.00 0.00 33 V 6.91 4.55 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 0.83 0.00 0.00 0.93 0.00 0.00 34 F 8.69 4.90 0.00 2.51 2.32 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 35 D 9.35 4.97 0.00 2.68 2.61 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 0.00 0.00 0.00 0.00 36 E 8.93 4.20 0.00 1.89 1.98 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 2.32 1.90 0.00 37 A 7.98 4.41 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 38 D 8.01 4.50 0.00 2.57 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 39 F 7.03 4.28 0.00 3.17 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 40 P 0.00 4.75 0.00 1.13 1.85 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 41 A 8.46 5.22 1.09 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 0.00 0.00 42 V 8.57 5.02 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.79 0.00 0.00 43 A 9.63 5.47 1.50 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 0.00 0.00 44 V 8.92 5.25 2.18 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 1.18 0.00 0.00 1.06 0.00 0.00 45 Y 7.98 5.16 0.00 3.06 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 46 L 8.63 5.49 0.00 1.51 1.59 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.49 4.61 4.36 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 1.35 0.00 0.00 48 G 9.11 4.12 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 0.00 0.00 0.00 49 A 8.34 4.56 1.60 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 50 E 9.69 4.69 0.00 1.84 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 0.00 2.16 2.10 0.00 51 Y 7.36 2.71 0.00 1.78 2.29 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 52 T 9.68 3.98 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 1.02 0.00 0.00 53 G 5.65 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 54 E 8.10 5.25 0.00 2.14 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 2.28 2.22 0.00 55 E 9.07 4.39 0.00 1.95 1.55 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 2.11 1.83 0.00 56 L 9.05 4.57 0.00 1.65 1.59 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.93 4.69 0.00 2.63 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 58 S 8.28 4.90 0.00 3.39 3.72 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 59 D 8.65 5.36 0.00 2.33 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 60 T 9.61 4.56 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 1.21 0.00 0.00 61 W 9.29 4.65 0.00 2.26 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 62 Q 9.17 5.12 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 63 A 9.27 5.05 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.23 4.91 0.00 2.11 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 2.14 2.23 0.00 65 L 9.10 4.74 0.00 1.79 1.61 0.90 0.65 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 66 H 9.14 5.17 0.00 1.46 2.68 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.99 4.61 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.98 0.00 0.00 68 E 9.29 4.83 0.00 2.05 1.96 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 1.47 1.99 0.00 69 V 8.22 4.59 1.90 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 0.27 0.00 0.00 0.89 0.00 0.00 70 F 9.51 5.11 0.00 2.40 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 71 L 8.84 5.00 0.00 1.49 1.45 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.96 0.00 2.03 1.75 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.65 0.00 73 A 8.52 3.83 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 74 Q 7.79 4.18 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 75 V 7.23 3.78 2.26 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 0.70 0.00 0.00 0.98 0.00 0.00 76 P 0.00 4.37 0.00 2.22 2.17 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 77 A 8.63 4.07 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 78 S 8.10 4.22 0.00 3.91 3.98 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 79 E 8.13 4.16 0.00 2.04 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 2.48 2.46 0.00 80 L 7.99 4.27 0.00 2.12 1.83 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.45 4.73 0.00 2.98 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 82 A 8.75 4.28 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 83 W 7.92 4.00 0.00 3.70 3.29 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 *85 E 8.09 4.44 0.00 2.04 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 2.21 2.40 0.00 86 S 8.07 4.48 0.00 4.00 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 87 R 7.98 4.61 0.00 1.62 1.95 0.00 2.21 0.00 0.00 2.75 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 88 I 7.49 4.38 1.91 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.23 0.90 0.00 0.00 89 Y 8.25 4.25 0.00 3.04 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 90 P 0.00 4.40 0.00 1.96 2.13 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 91 V 7.93 3.83 2.22 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 0.92 0.00 0.00 0.91 0.00 0.00 *93 S 8.33 4.37 0.00 3.70 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 94 D 7.75 4.47 0.00 2.64 2.47 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 0.00 0.00 0.00 0.00 95 I 7.79 4.47 1.80 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 1.43 0.75 0.88 0.00 0.00 96 P 0.00 4.20 0.00 2.24 2.32 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 97 A 7.86 4.08 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 98 L 7.75 3.98 0.00 1.70 1.80 0.83 0.84 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 99 S 8.10 4.12 0.00 4.05 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 0.00 100 D 8.01 4.41 0.00 2.80 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 0.00 101 L 7.77 4.30 0.00 1.72 1.68 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.94 4.69 2.14 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 1.64 0.68 0.93 0.00 0.00 103 T 8.34 4.56 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 1.26 0.00 0.00 104 S 7.63 4.58 0.00 3.89 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 *106 V 7.85 4.27 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 0.80 0.00 0.00 0.98 0.00 0.00 107 A 8.78 3.89 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 0.00 108 S 8.54 4.38 0.00 3.77 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 0.00 109 G 8.18 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 0.00 0.00 0.00 0.00 110 Y 8.34 4.62 0.00 3.01 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 0.00 111 D 8.33 4.95 0.00 2.47 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.48 4.85 0.00 2.86 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 0.00 113 R 8.78 4.96 0.00 1.91 1.95 0.00 3.11 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 114 R 8.05 4.38 0.00 1.42 1.71 0.00 2.90 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 115 D 7.09 3.63 0.00 1.58 1.84 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 0.00 116 D 8.30 4.26 0.00 2.66 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 0.00 117 D 8.33 4.43 0.00 2.70 2.57 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 0.00 118 A 8.29 4.52 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 0.00 119 G 8.04 3.66 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 0.00 0.00 0.00 120 L 8.52 4.26 0.00 1.85 1.87 1.06 0.82 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 0.00 121 W 7.12 5.47 0.00 3.55 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 0.00 122 S 9.40 5.16 0.00 4.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 9.82 5.49 0.00 3.21 3.32 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 0.00 124 A 8.12 4.73 0.95 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 0.00 0.00 125 D 8.63 4.68 0.00 2.54 2.31 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 0.00 126 L 8.52 4.58 0.00 1.69 1.58 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.29 5.13 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 0.71 0.00 0.00 128 Y 8.89 4.92 0.00 2.91 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 0.00 129 V 8.73 4.75 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 0.83 0.00 0.00 0.97 0.00 0.00 130 I 9.01 5.17 1.98 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 1.51 1.02 0.96 0.00 0.00 131 T 8.29 5.36 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 1.25 0.00 0.00 132 Y 8.43 4.96 0.00 3.13 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 0.00 133 E 8.89 5.41 0.00 2.00 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 2.16 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.