NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.1436 8.1744 115.2460 61.8885 68.4921 173.0910 8 D 4.5178 8.3151 127.5736 50.3814 40.9661 174.6302 9 P 4.3502 0.0000 0.0000 65.0798 32.5500 176.9460 10 R 4.2801 8.0861 116.1856 56.2604 30.5628 176.5026 11 A 4.3205 7.3962 121.4411 50.8784 19.2752 177.4117 12 K 4.0807 8.4415 121.3071 55.9280 32.8475 176.7098 13 W 4.3277 8.8292 134.9975 57.7370 31.0772 175.8759 14 V 3.9673 7.2784 124.1834 59.9628 32.0146 172.8436 15 P 4.0267 0.0000 0.0000 62.0246 32.2683 175.7101 16 Q 4.7513 8.5528 117.5733 54.6572 31.4956 174.5789 17 D 5.2984 8.6327 115.5049 54.4149 41.7684 175.3910 18 N 4.9364 8.4169 111.7455 51.7902 38.5856 173.7616 19 D 4.2492 7.7444 118.4909 53.7948 42.0326 175.4944 20 I 3.1130 7.9635 120.9054 62.4988 37.7734 176.7444 21 Q 4.3273 8.1837 119.0229 55.8244 29.1711 175.0859 22 A 4.8802 7.6352 121.6934 50.2971 21.0413 177.6039 23 C 4.5842 8.9051 118.5546 59.4672 40.3680 174.2805 24 D 4.4833 8.1590 118.1144 53.2252 40.5266 175.6965 25 Y 4.7931 8.3667 122.5696 58.3574 39.0742 177.3267 26 W 4.4685 7.7452 123.7583 59.6681 28.2379 177.7854 27 R 3.2728 5.8400 117.6595 58.0483 29.8401 176.3956 28 H 5.1237 8.2865 115.7733 56.0197 28.8011 174.5877 29 C 2.9574 8.2107 117.2358 57.0434 42.4827 174.2600 30 S 4.7373 7.5107 114.1827 56.7236 62.7118 173.6359 31 I 3.4990 7.1834 118.2147 60.0137 39.0669 174.0455 32 D 4.6654 8.9640 127.2930 54.2044 44.3365 172.4296 33 G 4.1406 7.9035 117.2620 44.2102 0.0000 175.6449 34 N 5.4276 8.9320 122.7890 51.0769 42.6529 173.4112 35 I 4.2091 8.4837 123.9427 60.9935 37.6490 176.4519 36 C 4.2095 8.6829 123.9970 59.9957 37.8436 175.7737 37 D 4.3189 8.2358 118.6534 57.5018 40.7411 178.2633 38 C 4.6580 8.0341 114.3134 58.1660 40.2802 173.8119 39 S 4.6175 8.2278 114.4728 58.2657 63.1782 174.8799 40 G 4.0878 8.8265 108.1845 46.1841 0.0000 174.2504 41 G 4.3225 7.3821 110.0185 44.8633 0.0000 172.0494 42 S 4.7225 8.8290 116.5448 57.6763 66.2350 174.9508 43 L 3.9001 8.5898 121.3837 58.1133 41.4645 178.2238 44 T 4.5266 7.6223 103.8011 60.6368 70.1880 173.0599 45 N 5.0374 7.7069 119.7749 51.4143 41.5808 173.2927 46 C 4.7208 8.3024 117.0546 55.6005 41.2462 172.2822 47 P 4.6626 0.0000 0.0000 61.1901 31.7426 174.8124 48 P 4.2163 0.0000 0.0000 64.0316 31.7641 178.1321 49 G 4.0668 8.6595 108.8132 46.1742 0.0000 174.2334 50 T 4.0193 6.9334 109.0473 61.0593 70.2794 174.2768 51 K 4.6202 8.6892 121.6148 54.5212 35.3717 175.5366 52 L 4.7178 8.7843 126.2955 53.4141 42.8000 175.7025 53 A 4.3131 8.6783 129.3802 53.0145 18.6993 176.8999 54 T 4.3797 8.8685 109.7563 62.3792 71.0910 174.7310 55 A 5.0370 8.0182 123.6325 50.7608 21.8767 175.3966 56 S 3.8021 7.2161 118.9174 57.7584 67.1663 176.9121 *58 V 4.2994 8.3106 111.4479 61.3915 32.4788 173.1425 59 A 4.9538 8.6834 122.1440 50.7039 23.0857 175.7033 60 S 4.8055 8.8627 116.1118 58.4276 63.1438 173.8567 61 C 5.2812 9.6829 125.8986 55.2917 37.2248 172.7480 62 Y 4.7487 8.9547 124.8734 56.7457 40.0771 173.3743 63 N 3.8053 8.6394 126.7094 51.3234 39.4092 173.9256 64 P 4.1797 0.0000 0.0000 64.8681 32.2216 177.9025 65 T 3.8647 7.9404 116.5537 66.3384 68.2419 174.9584 66 D 4.5802 7.5836 116.5699 52.2008 40.4955 176.6151 67 G 3.9106 7.8178 107.8038 46.2525 0.0000 173.2216 68 Q 4.6836 8.4388 117.9392 53.8304 32.0639 174.9214 69 S 5.3207 7.9827 115.7691 57.5425 65.6939 172.9688 70 Y 4.9591 9.2289 120.0015 55.8644 42.0268 174.6406 71 L 4.5709 8.8138 126.3874 55.4213 43.4218 175.4646 72 I 4.7054 8.8587 127.4743 59.5079 39.6685 174.6687 73 A 4.4208 8.2302 128.8933 50.1043 19.6659 177.1842 74 Y 4.7109 7.8795 123.1881 57.3048 35.9458 175.9091 75 R 4.2791 7.7198 120.6451 56.1645 32.1990 176.7299 76 D 5.2215 8.7929 122.6902 53.8613 43.1443 174.7971 77 C 5.0358 8.9108 119.7827 56.4306 40.4971 172.3568 78 C 5.5455 8.3313 119.6845 54.4967 44.9123 174.7702 79 G 4.0540 9.1063 105.1403 46.3757 0.0000 172.9614 80 Y 4.8573 7.5883 114.6359 55.5039 41.9260 174.7197 81 N 4.5474 8.6070 121.0324 53.1308 39.7437 175.0768 82 V 4.0605 8.5601 121.9932 61.2416 31.8850 176.6258 83 S 4.1565 8.2411 118.5145 59.7153 62.9692 175.6985 84 G 3.9903 8.0275 107.2867 44.9248 0.0000 172.9902 85 R 4.5636 7.6085 117.9788 55.6002 33.3443 175.1132 86 C 4.3727 8.7878 117.5576 57.4170 37.8606 171.5062 87 P 5.1554 0.0000 0.0000 63.3944 32.1449 177.9349 88 C 5.1334 9.4327 119.8104 55.2040 45.2028 172.8240 89 L 5.0550 8.4893 122.4716 53.6412 44.1469 175.1101 90 N 5.2030 9.6453 123.8487 51.3058 43.4769 174.8825 91 T 4.6005 7.5650 109.0337 60.5913 68.9909 173.6691 92 E 4.0257 8.1365 123.3957 58.4194 29.3190 177.5909 93 G 3.7063 8.7641 111.6723 45.5426 0.0000 172.1858 94 E 4.3023 7.9660 121.5599 56.1707 29.7818 176.3504 95 L 4.7175 8.2011 126.5357 52.2901 44.3320 174.4299 96 P 4.5549 0.0000 0.0000 62.2147 32.2212 178.0000 97 V 3.5995 8.5096 120.3228 64.8779 31.1743 176.8666 98 Y 4.4219 8.0048 116.2581 58.1758 38.7405 175.9883 99 R 4.6747 7.6104 120.2195 53.7506 30.3972 174.2568 100 P 4.4905 0.0000 0.0000 65.3089 32.3021 178.7609 101 E 3.6041 8.2439 116.9625 58.9685 29.5635 178.0424 102 F 5.0681 8.1865 114.3086 56.9670 39.7504 173.9626 103 A 5.1814 8.1754 124.9739 51.0204 19.5553 177.6417 104 N 5.0820 9.0403 119.7563 52.8262 37.8821 175.6205 105 D 4.6710 7.8821 117.9853 55.7728 41.3626 176.8100 106 I 3.4865 7.3515 120.2920 60.7398 37.4661 175.8609 107 I 3.8385 7.7835 125.5118 61.1026 36.8995 176.6927 108 W 4.7562 9.2778 130.0710 55.4709 27.6382 176.4967 109 C 4.9772 7.1922 114.6813 56.0712 38.9316 174.2295 110 F 4.5992 7.5941 120.5656 58.9737 38.8771 176.1553 111 G 4.5965 9.4616 113.1542 46.1078 0.0000 173.5527 112 A 4.4627 7.2752 121.4952 51.4472 19.2798 177.4767 113 E 4.0968 8.5212 119.5686 57.5385 30.1566 176.9996 114 D 4.4969 8.8751 118.6262 55.2773 38.2149 173.4753 115 D 4.3589 8.5514 114.7886 54.5819 38.6207 173.5260 116 A 3.9853 7.6408 120.8869 53.4812 18.2973 178.3015 117 M 4.6458 8.4863 120.4666 54.9302 33.7801 175.9593 118 T 4.3130 7.5944 110.2206 61.3298 70.4927 173.0890 119 Y 4.3085 8.5845 125.3119 57.9749 39.8388 173.3493 120 H 4.7122 7.9407 124.8105 56.8585 32.2954 171.1507 121 C 4.9085 6.8294 109.6199 55.0276 39.2999 171.6294 122 T 5.3650 8.8546 115.4141 61.7808 71.7602 173.8388 123 I 4.7793 8.4669 117.7516 58.8274 41.0336 174.9711 124 S 4.6114 8.4342 116.7071 57.1317 62.6185 173.4377 125 P 4.3687 0.0000 0.0000 62.5508 32.8706 176.8259 126 I 4.2304 8.2585 123.9661 61.5745 37.5646 176.0798 127 V 4.3679 9.8631 118.7787 59.9034 33.4174 175.9634 128 G 4.0204 7.6655 109.1155 45.1921 0.0000 171.7818 129 K 4.2086 8.2312 118.8093 56.3921 32.4386 177.1786 130 A 4.7820 8.2854 126.7497 51.9820 19.6631 176.3530 131 S 4.3048 8.1539 121.3672 60.3051 62.9895 174.6704 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 7 T 8.17 4.14 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 1.24 0.00 0.00 8 D 8.32 4.52 0.00 2.88 2.56 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 0.00 0.00 0.00 0.00 9 P 0.00 4.35 0.00 2.24 2.20 0.00 3.82 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 2.00 2.00 0.00 10 R 8.09 4.28 0.00 1.98 2.02 0.00 3.17 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 11 A 7.40 4.32 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 12 K 8.44 4.08 0.00 1.77 1.77 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.52 7.81 13 W 8.83 4.33 0.00 3.45 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 14 V 7.28 3.97 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 0.80 0.00 0.00 0.92 0.00 0.00 15 P 0.00 4.03 0.00 2.36 2.18 0.00 3.57 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 16 Q 8.55 4.75 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 17 D 8.63 5.30 0.00 2.55 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 18 N 8.42 4.94 0.00 2.86 2.89 0.00 0.00 5.99 8.06 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 19 D 7.74 4.25 0.00 2.67 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 20 I 7.96 3.11 1.40 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 -0.15 0.00 0.00 21 Q 8.18 4.33 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 22 A 7.64 4.88 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 23 C 8.91 4.58 0.00 3.12 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 24 D 8.16 4.48 0.00 2.46 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 25 Y 8.37 4.79 0.00 3.45 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 26 W 7.75 4.47 0.00 3.61 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 27 R 5.84 3.27 0.00 1.29 1.57 0.00 3.01 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.29 5.12 0.00 3.68 3.37 0.00 5.62 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 29 C 8.21 2.96 0.00 2.19 3.61 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 30 S 7.51 4.74 0.00 3.70 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.18 3.50 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.23 0.91 0.00 0.00 32 D 8.96 4.67 0.00 2.67 2.45 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 33 G 7.90 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 34 N 8.93 5.43 0.00 2.79 2.87 0.00 0.00 7.38 6.95 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 35 I 8.48 4.21 1.87 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 1.06 0.88 0.97 0.00 0.00 36 C 8.68 4.21 0.00 2.96 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 37 D 8.24 4.32 0.00 2.72 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 38 C 8.03 4.66 0.00 3.16 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 39 S 8.23 4.62 0.00 4.00 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 40 G 8.83 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 0.00 0.00 0.00 41 G 7.38 4.32 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 0.00 0.00 0.00 42 S 8.83 4.72 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 43 L 8.59 3.90 0.00 1.67 1.71 0.99 0.57 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 44 T 7.62 4.53 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 1.17 0.00 0.00 45 N 7.71 5.04 0.00 2.66 2.69 0.00 0.00 6.89 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 46 C 8.30 4.72 0.00 2.88 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 47 P 0.00 4.66 0.00 1.76 2.10 0.00 3.62 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 48 P 0.00 4.22 0.00 2.15 1.95 0.00 3.61 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 2.10 2.06 0.00 49 G 8.66 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 0.00 0.00 0.00 0.00 50 T 6.93 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 51 K 8.69 4.62 0.00 1.61 1.88 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.32 1.56 7.81 52 L 8.78 4.72 0.00 1.73 1.53 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.68 4.31 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 54 T 8.87 4.38 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 1.23 0.00 0.00 55 A 8.02 5.04 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 56 S 7.22 3.80 0.00 3.99 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 *58 V 8.31 4.30 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 0.51 0.00 0.00 0.78 0.00 0.00 59 A 8.68 4.95 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 60 S 8.86 4.81 0.00 3.98 3.85 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 0.00 0.00 0.00 0.00 61 C 9.68 5.28 0.00 3.23 3.55 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 62 Y 8.95 4.75 0.00 3.18 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 63 N 8.64 3.81 0.00 1.44 2.18 0.00 0.00 6.57 7.84 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 64 P 0.00 4.18 0.00 2.18 2.23 0.00 3.32 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 65 T 7.94 3.86 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 1.13 0.00 0.00 66 D 7.58 4.58 0.00 2.68 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 67 G 7.82 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 68 Q 8.44 4.68 0.00 1.82 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 69 S 7.98 5.32 0.00 3.83 3.85 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 0.00 0.00 0.00 0.00 70 Y 9.23 4.96 0.00 3.31 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 71 L 8.81 4.57 0.00 1.87 1.60 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.86 4.71 1.34 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 0.16 0.00 0.00 73 A 8.23 4.42 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 74 Y 7.88 4.71 0.00 2.94 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 75 R 7.72 4.28 0.00 1.77 1.87 0.00 3.07 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 76 D 8.79 5.22 0.00 2.82 2.49 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 77 C 8.91 5.04 0.00 2.72 2.85 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 0.00 0.00 0.00 0.00 78 C 8.33 5.55 0.00 2.72 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 79 G 9.11 4.05 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 0.00 0.00 0.00 80 Y 7.59 4.86 0.00 2.56 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 81 N 8.61 4.55 0.00 2.67 2.73 0.00 0.00 7.04 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 82 V 8.56 4.06 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 0.91 0.00 0.00 1.10 0.00 0.00 83 S 8.24 4.16 0.00 3.95 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 84 G 8.03 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 0.00 0.00 0.00 85 R 7.61 4.56 0.00 1.80 1.83 0.00 3.34 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 86 C 8.79 4.37 0.00 3.10 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 87 P 0.00 5.16 0.00 2.08 2.07 0.00 3.73 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 2.00 2.01 0.00 88 C 9.43 5.13 0.00 2.80 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 89 L 8.49 5.05 0.00 1.52 1.48 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.65 5.20 0.00 2.31 2.18 0.00 0.00 6.08 5.62 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 91 T 7.56 4.60 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 1.13 0.00 0.00 92 E 8.14 4.03 0.00 1.74 1.78 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 1.63 1.47 0.00 93 G 8.76 3.71 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 0.00 94 E 7.97 4.30 0.00 1.88 1.83 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 2.64 2.58 0.00 95 L 8.20 4.72 0.00 1.58 1.43 0.92 0.76 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 96 P 0.00 4.55 0.00 1.81 2.10 0.00 3.32 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 2.27 2.13 0.00 97 V 8.51 3.60 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 0.83 0.00 0.00 0.94 0.00 0.00 98 Y 8.00 4.42 0.00 3.15 3.14 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 99 R 7.61 4.67 0.00 1.66 2.03 0.00 3.36 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.50 0.00 100 P 0.00 4.49 0.00 2.38 2.35 0.00 3.67 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 2.20 2.34 0.00 101 E 8.24 3.60 0.00 1.16 1.16 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 2.02 2.22 0.00 102 F 8.19 5.07 0.00 3.09 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 0.00 103 A 8.18 5.18 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 0.00 104 N 9.04 5.08 0.00 2.81 2.93 0.00 0.00 7.09 7.68 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 0.00 105 D 7.88 4.67 0.00 2.64 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 0.00 106 I 7.35 3.49 0.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.33 -0.50 0.00 0.00 107 I 7.78 3.84 1.64 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 1.28 0.67 0.97 0.00 0.00 108 W 9.28 4.76 0.00 3.61 3.34 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 0.00 109 C 7.19 4.98 0.00 2.64 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 0.00 110 F 7.59 4.60 0.00 3.30 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 0.00 111 G 9.46 4.60 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 0.00 112 A 7.28 4.46 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 0.00 113 E 8.52 4.10 0.00 2.08 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 2.39 2.39 0.00 114 D 8.88 4.50 0.00 2.84 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 0.00 115 D 8.55 4.36 0.00 2.78 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 0.00 116 A 7.64 3.99 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 0.00 117 M 8.49 4.65 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 118 T 7.59 4.31 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 1.23 0.00 0.00 119 Y 8.58 4.31 0.00 3.14 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 0.00 120 H 7.94 4.71 0.00 3.38 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.83 4.91 0.00 3.24 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 0.00 122 T 8.85 5.36 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 1.53 0.00 0.00 123 I 8.47 4.78 1.94 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 1.37 0.91 0.90 0.00 0.00 124 S 8.43 4.61 0.00 3.69 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 0.00 125 P 0.00 4.37 0.00 2.04 2.11 0.00 3.78 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 2.06 1.93 0.00 126 I 8.26 4.23 1.84 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 1.38 0.42 1.08 0.00 0.00 127 V 9.86 4.37 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 0.62 0.00 0.00 0.92 0.00 0.00 128 G 7.67 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 0.00 129 K 8.23 4.21 0.00 1.71 1.62 0.00 0.80 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.32 7.81 130 A 8.29 4.78 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 0.00 131 S 8.15 4.30 0.00 3.78 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.