NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *16 H 4.8066 8.2876 117.3787 54.0648 29.5593 174.0453 17 F 4.2720 9.0280 120.6479 58.2489 37.8627 175.0935 18 K 4.0136 7.7760 120.5421 58.1952 33.1460 178.2664 19 D 4.5361 7.4827 118.6205 52.9507 41.3508 174.3891 20 P 4.6704 0.0000 0.0000 63.3407 32.4282 175.0186 21 K 4.8338 9.3267 119.1375 55.4593 37.4949 175.1118 22 R 5.0967 9.1620 120.1983 53.9063 32.9861 175.8232 23 L 5.1424 8.5945 122.5326 53.4193 43.9066 174.6122 24 Y 4.8575 9.1590 126.9088 56.9319 40.4778 173.5762 25 C 4.1717 8.5045 127.8809 57.4435 32.4709 174.2888 26 K 3.6394 8.4250 128.5315 59.1894 31.8793 175.9580 27 N 4.2087 7.5359 116.8422 54.2753 37.9391 174.5748 28 G 3.6853 8.6778 115.1420 44.3762 0.0000 171.9745 29 G 3.0411 6.9758 106.2905 46.4593 0.0000 173.3923 30 F 4.8402 7.2984 116.4779 55.5769 42.1640 175.4747 31 F 5.3301 9.3342 121.5740 55.9856 40.4609 175.2426 32 L 4.4392 9.2607 126.5719 55.6164 43.1981 175.5652 33 R 4.9760 9.5244 126.5240 54.5787 33.3125 174.1850 34 I 4.5618 8.6591 129.4532 60.2923 38.9224 176.0611 *35 H 4.2788 8.8405 124.5775 53.2049 28.6431 171.8754 36 P 4.2137 0.0000 0.0000 65.8926 31.1835 177.2198 37 D 4.5305 7.9871 114.5051 53.3716 39.8702 177.0065 38 G 3.8993 8.6714 112.0047 46.0620 0.0000 174.4896 39 R 4.5612 7.3692 117.8172 55.4148 30.2852 180.5348 40 V 5.0172 8.1570 119.5736 61.0152 34.3105 174.4538 41 D 4.6928 8.5059 125.1464 52.8267 42.4560 173.9769 42 G 4.5423 8.5517 104.7805 45.2598 0.0000 172.8518 43 V 4.9361 8.6333 112.8694 60.1236 36.0710 176.2833 44 R 3.7000 9.0577 123.5772 58.5256 30.8943 177.3092 45 E 4.1803 8.3826 116.2086 56.1872 28.9474 182.6791 46 K 3.9447 8.8125 127.4711 55.8788 31.8921 175.1194 47 S 4.3371 7.8867 110.1021 60.1355 63.1981 173.6350 48 D 4.3700 8.1459 121.0743 54.2187 41.0711 175.2425 49 P 4.3956 0.0000 0.0000 64.9813 31.7765 176.4008 50 H 4.8468 9.9756 117.5792 55.6491 28.6250 175.9217 51 I 4.5225 7.1928 110.8584 59.5710 38.5801 174.7807 52 K 4.2380 7.7885 124.2291 56.4196 32.9076 175.4180 53 L 5.1914 9.0794 127.8460 52.8866 45.8422 175.5730 54 Q 4.7685 8.8603 121.8704 54.4649 31.4567 174.4362 55 L 5.0620 8.5836 126.5177 54.3941 43.5463 176.4044 56 Q 4.6833 8.6420 121.9101 54.9542 32.8209 173.6533 57 A 4.7226 8.8797 129.9247 52.1150 19.3572 176.3990 58 E 4.3643 8.9638 123.3027 57.3363 30.8684 175.3437 59 E 4.5663 7.6300 114.3166 54.5625 32.1450 173.9160 60 R 3.8557 8.5775 119.2412 58.1907 30.1083 176.3490 61 G 4.0242 9.1143 112.0662 45.7415 0.0000 172.0856 62 V 4.9101 8.0768 120.1884 61.0267 34.2937 174.9417 63 V 5.3656 9.3288 120.4222 59.6901 36.4341 174.3555 64 S 5.4406 9.0309 116.2053 55.9245 66.1721 173.1019 65 I 4.6568 8.4339 122.3819 59.5277 39.9123 174.0370 66 K 4.6145 8.6630 129.0993 54.0795 34.8961 175.2133 67 G 3.8304 8.7767 115.7510 45.9987 0.0000 174.3450 68 V 3.5548 8.4855 129.3330 66.7912 31.7979 178.2708 69 S 4.2233 8.0973 113.7789 61.1849 62.2325 177.4197 70 A 4.0640 7.9866 122.4013 52.8703 18.3303 176.6578 71 N 4.1239 7.9376 113.1464 54.8908 38.0508 173.5556 72 R 4.9276 7.4699 112.4217 54.3576 35.3436 174.0818 73 Y 4.9481 9.0068 118.6637 55.9047 40.4001 175.4496 74 L 4.5351 9.0327 126.6035 55.7146 43.5689 175.5685 75 A 5.2829 9.2395 125.7809 50.9872 23.2918 174.5032 76 M 5.2119 8.6733 119.9277 53.7416 34.4940 176.1991 77 K 4.4403 9.1830 128.6350 56.0249 33.3522 178.4646 78 E 3.1754 8.6877 116.0554 58.7520 29.5007 176.6275 79 D 4.5640 8.0087 114.9914 53.5391 40.1325 177.0540 80 G 3.5352 8.5630 111.5289 46.1107 0.0000 173.9725 81 R 4.5120 8.0354 119.9649 55.8273 31.1738 179.4648 82 L 5.0829 6.6971 120.5223 53.2657 43.8240 175.5915 83 L 4.5848 8.5025 121.3739 55.0844 44.5741 173.3638 84 A 5.1686 8.5434 121.1944 50.2489 20.8674 175.9478 85 S 4.5712 9.3924 120.8562 57.7244 63.8375 176.1857 86 K 4.1090 8.9243 127.7714 56.7048 31.8817 177.1285 87 S 4.8718 7.4345 112.5618 55.6609 65.2847 174.0218 88 V 3.2917 7.9181 122.6314 62.9686 31.8808 175.1406 89 T 4.7214 7.8003 115.8678 59.4122 71.8589 173.8683 90 D 4.6526 8.6242 119.5042 55.2579 39.5542 176.5281 91 E 4.3009 7.9088 119.8708 56.7525 29.5184 176.2733 92 C 4.8978 7.5048 115.7726 58.5389 29.7172 172.8443 93 F 5.1368 7.1442 118.2501 55.6179 41.7236 174.3815 94 F 5.3528 9.3345 121.0910 55.5439 43.6515 174.1022 95 F 4.9057 9.7251 122.9666 57.6587 39.8154 173.8331 96 E 4.9079 9.2067 125.9252 54.6887 31.0979 175.1361 97 R 4.6187 8.4389 126.3139 54.4958 34.0167 173.4739 98 L 4.7413 8.5606 128.3241 53.8577 42.6391 176.1037 99 E 4.3685 9.1618 127.2737 55.5219 30.2681 178.4381 100 S 4.2056 8.7210 117.3466 62.0606 62.9227 175.7154 101 N 4.6049 8.1389 115.4754 52.4115 37.6085 179.2300 102 N 4.4526 8.5405 114.1762 55.0901 36.5521 173.4126 103 Y 4.8023 7.7637 115.0832 56.5257 41.4359 174.4268 104 N 5.5552 9.7589 119.4046 52.3226 41.4532 174.3810 105 T 5.2101 8.3931 110.4011 60.2791 73.0388 172.5738 106 Y 4.8811 8.8352 119.9446 56.5942 41.2945 174.0392 107 R 5.0908 9.0758 125.7829 54.0698 32.5974 175.2668 108 S 4.2854 8.9320 121.4110 59.2752 62.7380 175.0173 109 R 3.6542 8.2329 127.6340 58.7673 29.9844 177.7122 110 K 3.7487 7.8444 119.2649 58.7696 32.7541 177.3373 111 Y 4.1846 7.1115 120.7058 55.8465 36.2247 176.5865 112 T 4.2814 7.7461 108.5592 62.3261 69.0037 175.5601 113 S 4.5994 7.6565 116.5862 58.1062 64.8582 173.7692 114 W 5.3594 7.7407 120.6928 55.4569 31.2162 174.7171 115 Y 5.4696 8.9498 120.8322 56.0768 40.4568 175.7803 116 V 4.0373 8.8000 122.5405 63.1762 32.2746 175.1550 117 A 5.1331 8.5843 127.1692 51.2102 22.6210 174.6088 118 L 5.1109 8.3354 118.5211 52.9322 45.1825 176.8302 119 K 4.4629 9.1659 123.8210 55.6599 33.7630 178.9017 120 R 4.0945 8.7425 120.3207 59.2747 29.4155 179.1213 121 T 4.0928 7.6995 105.3040 63.5733 69.3208 175.5060 122 G 2.6651 7.6911 108.8587 44.4189 0.0000 172.9687 123 Q 4.6722 7.3969 119.6448 54.1485 30.8543 175.1177 124 Y 4.6971 8.2256 120.2773 57.1957 39.2161 174.7577 125 K 4.6408 8.7197 121.2235 54.0932 34.6022 175.8397 126 L 4.1804 8.8324 126.7029 55.2422 42.4218 178.3181 127 G 3.8170 9.1139 113.4183 48.6905 0.0000 175.5959 128 S 2.9060 7.0072 115.1146 60.2181 63.0307 175.4618 129 K 4.4303 7.9097 122.1025 54.2835 31.7482 181.4235 130 T 5.3931 6.9675 108.7852 60.9620 70.9020 174.1719 131 G 4.3990 8.2658 109.4373 43.6838 0.0000 172.1764 132 P 4.0153 0.0000 0.0000 64.9618 31.3664 177.7331 133 G 3.9244 7.8348 103.7959 45.2672 0.0000 173.7950 134 Q 4.1491 7.6578 119.6334 55.4234 29.0156 177.1755 135 K 3.8842 8.4047 120.8661 58.5803 32.9711 178.8379 136 A 3.9657 7.8981 121.4035 54.0771 18.4680 178.2373 137 I 4.5472 7.4575 107.0921 60.7145 38.4284 175.1422 138 L 4.6811 7.2362 122.5089 54.0349 42.6783 175.7027 139 F 5.5385 9.5989 122.8863 55.5240 43.2569 174.2281 140 L 5.1815 9.6178 124.0138 52.5065 44.4832 173.8436 141 P 5.0742 0.0000 0.0000 63.3742 32.1092 175.6211 142 M 4.9984 9.3990 122.5695 53.0056 36.5082 174.8394 143 S 4.3879 8.7716 115.4031 58.2940 63.3371 173.3710 144 A 4.2788 8.6420 130.3853 52.5862 18.7674 178.2860 145 K 4.1801 7.6727 126.4463 56.7151 32.2598 178.0889 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 *16 H 8.29 4.81 0.00 2.85 3.03 0.00 7.16 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.03 4.27 0.00 3.23 3.24 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 0.00 18 K 7.78 4.01 0.00 1.41 1.71 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.43 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.10 0.21 7.81 19 D 7.48 4.54 0.00 2.82 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 20 P 0.00 4.67 0.00 2.04 2.03 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 21 K 9.33 4.83 0.00 1.66 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.57 7.81 22 R 9.16 5.10 0.00 1.72 1.72 0.00 2.43 0.00 0.00 2.43 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 23 L 8.59 5.14 0.00 1.64 1.73 0.44 0.84 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 24 Y 9.16 4.86 0.00 3.33 3.19 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 25 C 8.50 4.17 0.00 2.57 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 26 K 8.42 3.64 0.00 1.24 1.43 0.00 0.67 0.00 0.00 1.18 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.31 7.81 27 N 7.54 4.21 0.00 2.66 2.64 0.00 0.00 7.03 7.98 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 28 G 8.68 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 29 G 6.98 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 0.00 0.00 0.00 30 F 7.30 4.84 0.00 2.92 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 31 F 9.33 5.33 0.00 3.18 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 32 L 9.26 4.44 0.00 1.94 1.62 1.03 0.65 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 33 R 9.52 4.98 0.00 1.93 2.08 0.00 3.18 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 34 I 8.66 4.56 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 1.05 0.76 0.87 0.00 0.00 *35 H 8.84 4.28 0.00 2.85 2.94 0.00 7.23 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.21 0.00 1.99 2.14 0.00 3.49 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 37 D 7.99 4.53 0.00 2.78 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 38 G 8.67 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 0.00 0.00 0.00 39 R 7.37 4.56 0.00 1.80 1.81 0.00 3.21 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 40 V 8.16 5.02 2.04 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 1.02 0.00 0.00 0.87 0.00 0.00 41 D 8.51 4.69 0.00 2.87 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 42 G 8.55 4.54 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 0.00 0.00 0.00 43 V 8.63 4.94 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 0.84 0.00 0.00 1.11 0.00 0.00 44 R 9.06 3.70 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 45 E 8.38 4.18 0.00 1.89 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 2.31 1.87 0.00 46 K 8.81 3.94 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 S 7.89 4.34 0.00 3.82 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 48 D 8.15 4.37 0.00 2.87 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 49 P 0.00 4.40 0.00 2.03 2.07 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 50 H 9.98 4.85 0.00 3.34 3.51 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.19 4.52 1.90 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 1.02 0.00 0.00 52 K 7.79 4.24 0.00 1.81 1.70 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 53 L 9.08 5.19 0.00 1.61 1.43 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.86 4.77 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 55 L 8.58 5.06 0.00 1.65 1.67 1.05 0.85 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 Q 8.64 4.68 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 57 A 8.88 4.72 1.30 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 58 E 8.96 4.36 0.00 1.89 1.72 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 1.47 1.87 0.00 59 E 7.63 4.57 0.00 2.09 1.88 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 2.21 2.27 0.00 60 R 8.58 3.86 0.00 1.79 1.94 0.00 3.34 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 61 G 9.11 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 62 V 8.08 4.91 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 0.94 0.00 0.00 0.74 0.00 0.00 63 V 9.33 5.37 2.25 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 0.90 0.00 0.00 1.28 0.00 0.00 64 S 9.03 5.44 0.00 3.87 4.04 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 65 I 8.43 4.66 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.71 0.00 0.00 66 K 8.66 4.61 0.00 1.29 1.38 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.48 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.93 0.51 7.81 67 G 8.78 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 0.00 0.00 0.00 68 V 8.49 3.55 2.04 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 0.71 0.00 0.00 0.91 0.00 0.00 69 S 8.10 4.22 0.00 3.67 3.76 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 70 A 7.99 4.06 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 71 N 7.94 4.12 0.00 2.80 2.84 0.00 0.00 6.95 7.08 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 72 R 7.47 4.93 0.00 1.70 1.72 0.00 3.13 0.00 0.00 3.58 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 73 Y 9.01 4.95 0.00 2.83 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 74 L 9.03 4.54 0.00 1.71 1.61 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 A 9.24 5.28 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 76 M 8.67 5.21 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 77 K 9.18 4.44 0.00 1.95 1.74 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.53 7.81 78 E 8.69 3.18 0.00 1.98 1.88 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 2.23 1.88 0.00 79 D 8.01 4.56 0.00 2.73 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 80 G 8.56 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 0.00 0.00 0.00 81 R 8.04 4.51 0.00 1.53 1.81 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 82 L 6.70 5.08 0.00 0.67 1.31 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.50 4.58 0.00 1.87 1.70 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.54 5.17 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 85 S 9.39 4.57 0.00 3.88 3.76 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 86 K 8.92 4.11 0.00 1.82 1.71 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 S 7.43 4.87 0.00 3.84 3.84 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 88 V 7.92 3.29 1.82 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 0.56 0.00 0.00 -0.22 0.00 0.00 89 T 7.80 4.72 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 1.21 0.00 0.00 90 D 8.62 4.65 0.00 2.72 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 91 E 7.91 4.30 0.00 1.99 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 2.27 2.26 0.00 92 C 7.50 4.90 0.00 2.18 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.14 5.14 0.00 2.67 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 94 F 9.33 5.35 0.00 3.08 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 95 F 9.73 4.91 0.00 3.12 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 96 E 9.21 4.91 0.00 2.21 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 2.16 1.88 0.00 97 R 8.44 4.62 0.00 1.94 1.72 0.00 3.15 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 98 L 8.56 4.74 0.00 1.70 1.60 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.16 4.37 0.00 2.11 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 0.00 2.37 2.42 0.00 100 S 8.72 4.21 0.00 3.99 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 0.00 101 N 8.14 4.60 0.00 2.77 2.75 0.00 0.00 6.77 7.99 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 0.00 102 N 8.54 4.45 0.00 2.77 2.87 0.00 0.00 6.79 7.06 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 0.00 103 Y 7.76 4.80 0.00 2.91 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 0.00 104 N 9.76 5.56 0.00 3.07 2.61 0.00 0.00 6.84 5.12 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 0.00 105 T 8.39 5.21 4.35 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 1.30 0.00 0.00 106 Y 8.84 4.88 0.00 2.84 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 0.00 107 R 9.08 5.09 0.00 1.87 2.00 0.00 3.17 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 108 S 8.93 4.29 0.00 4.27 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 0.00 109 R 8.23 3.65 0.00 1.18 1.58 0.00 3.05 0.00 0.00 2.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.00 110 K 7.84 3.75 0.00 1.45 0.82 0.00 1.56 0.00 0.00 1.37 0.00 0.00 2.80 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.30 0.96 7.81 111 Y 7.11 4.18 0.00 2.84 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 0.00 0.00 0.00 112 T 7.75 4.28 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 1.31 0.00 0.00 113 S 7.66 4.60 0.00 3.69 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 0.00 114 W 7.74 5.36 0.00 3.43 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 0.00 115 Y 8.95 5.47 0.00 2.95 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 0.00 116 V 8.80 4.04 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 0.50 0.00 0.00 0.45 0.00 0.00 117 A 8.58 5.13 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 0.00 118 L 8.34 5.11 0.00 1.50 1.46 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.17 4.46 0.00 1.61 1.65 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.55 7.81 120 R 8.74 4.09 0.00 1.83 1.87 0.00 3.26 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 121 T 7.70 4.09 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 1.17 0.00 0.00 122 G 7.69 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 0.00 0.00 0.00 123 Q 7.40 4.67 0.00 1.69 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 124 Y 8.23 4.70 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 0.00 125 K 8.72 4.64 0.00 1.78 1.78 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.37 7.81 126 L 8.83 4.18 0.00 1.66 1.42 0.84 1.03 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 0.00 127 G 9.11 3.82 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 0.00 0.00 0.00 128 S 7.01 2.91 0.00 3.58 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 0.00 129 K 7.91 4.43 0.00 1.75 1.70 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.22 7.81 130 T 6.97 5.39 4.50 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 1.42 0.00 0.00 131 G 8.27 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 0.00 0.00 0.00 0.00 132 P 0.00 4.02 0.00 2.10 2.22 0.00 3.77 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 2.17 2.42 0.00 133 G 7.83 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 0.00 0.00 0.00 134 Q 7.66 4.15 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 135 K 8.40 3.88 0.00 1.68 1.69 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.25 7.81 136 A 7.90 3.97 1.35 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 0.00 0.00 137 I 7.46 4.55 1.79 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.89 0.00 0.00 138 L 7.24 4.68 0.00 1.22 1.22 0.60 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 139 F 9.60 5.54 0.00 3.30 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 0.00 140 L 9.62 5.18 0.00 2.06 1.83 0.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 5.07 0.00 2.23 2.22 0.00 3.90 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 2.13 0.00 142 M 9.40 5.00 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 143 S 8.77 4.39 0.00 3.88 3.76 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 0.00 144 A 8.64 4.28 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 0.00 145 K 7.67 4.18 0.00 1.96 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.