NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5027 8.1633 120.6171 54.8500 33.8614 174.2126 2 K 4.2257 8.4960 126.5163 56.6649 33.2414 171.3638 3 V 5.0235 10.0712 118.3066 60.0180 37.4592 173.5852 4 I 4.6282 8.5790 124.2581 59.4560 38.8514 175.8716 5 L 4.4069 8.0222 126.8293 55.1053 42.3670 177.3999 6 L 4.6114 8.2046 116.8076 55.0405 44.2355 174.9480 7 E 4.6075 7.6593 116.5536 55.0319 32.9020 174.2390 8 P 4.7333 0.0000 0.0000 62.0339 29.9752 175.1535 9 L 4.1192 7.5550 120.0753 55.7580 42.7522 176.5824 10 E 4.5690 8.4202 120.0466 56.2030 30.3446 173.8487 11 N 4.7087 7.8416 127.0533 51.5759 37.7997 174.8339 12 L 4.5817 7.4432 128.9519 54.1338 41.2967 175.4149 13 G 4.3714 7.5536 114.7344 44.6332 0.0000 167.8024 14 D 4.2659 8.4917 122.9318 53.3721 37.2785 172.2032 15 V 3.6548 8.0751 120.8069 62.7029 31.6186 175.4881 16 G 4.1392 9.2386 115.5106 45.9514 0.0000 174.1636 17 Q 3.9938 8.2988 122.5700 55.9602 30.1319 175.8015 18 V 4.9316 8.7460 127.0943 61.9633 32.0202 174.7868 19 V 4.7398 8.2639 127.9152 59.7034 35.1007 173.6974 20 D 5.3408 8.3605 118.1276 50.8983 42.2147 175.0745 21 V 4.4986 8.2398 112.5379 58.9001 35.7999 175.4845 22 K 4.0717 8.8794 120.5406 57.5633 32.0451 177.5239 23 P 4.0774 0.0000 0.0000 64.3249 31.7467 177.8926 24 G 3.8529 8.2715 103.9975 48.5087 0.0000 174.4735 25 Y 4.0144 8.8100 121.8347 60.4309 38.7824 177.9926 26 A 4.0106 8.0100 121.2359 55.0285 18.4983 179.2097 27 R 3.8829 8.5490 116.0695 59.5001 30.4860 178.3843 28 N 4.7874 8.3029 112.4617 53.5871 39.0431 174.3536 29 Y 4.5684 7.4712 120.0230 59.0594 40.7285 176.6963 30 L 3.8407 7.6645 119.5013 57.7736 42.2216 179.6795 31 L 3.8871 8.0470 119.3126 57.4178 41.9745 178.0062 32 P 4.3826 0.0000 0.0000 65.6076 31.2237 178.3443 33 R 4.2130 7.3358 113.1082 55.1544 30.5554 176.9738 34 G 3.9507 7.3847 106.0686 47.0875 0.0000 174.0748 35 L 4.5923 8.1646 113.6627 53.5234 42.9716 177.5778 36 A 4.4303 7.2571 119.7991 52.3968 22.3275 176.0249 37 V 4.4057 8.0244 116.9854 61.3527 35.3310 174.1943 38 L 4.2148 8.9358 126.4960 54.7899 42.7582 178.6481 39 A 4.6652 8.4510 126.6111 51.4946 17.2982 178.3207 40 T 3.8640 8.6772 111.6927 63.0526 69.5438 174.8888 41 E 3.5106 9.0952 125.0790 59.6018 29.1280 179.2586 42 S 4.0687 8.0471 111.9313 61.7228 62.5655 175.4345 43 N 4.5968 7.9510 118.0071 55.1191 38.6104 177.1054 44 L 3.8622 8.5785 123.4344 58.2787 42.1291 179.2255 45 K 4.7705 8.6238 118.8398 58.2802 32.5540 178.3673 46 A 3.7290 8.2829 122.7242 54.6863 17.9270 179.3808 47 L 4.1685 7.6570 117.7019 57.5356 41.6754 179.0644 48 E 4.0103 8.9322 119.3634 59.2208 29.6225 180.6783 49 A 4.3452 7.3203 120.9051 51.4503 18.2000 177.1372 50 R 4.3544 7.6017 128.8903 59.3466 37.5310 176.5214 51 I 3.9953 10.6906 117.0009 61.8838 35.5064 178.7456 52 R 4.5053 8.5087 116.8018 57.8890 32.2615 182.3923 53 A 4.1029 8.2722 121.9702 56.1436 17.7744 180.3070 54 Q 4.0567 8.2412 118.4966 59.7507 26.9371 179.5811 55 A 4.6252 8.2924 121.9170 53.7321 18.5024 179.3490 56 K 4.4741 7.9177 125.5130 58.9252 31.7001 184.5867 57 R 4.2379 7.7296 121.8627 61.4889 28.9827 182.2899 58 L 4.6390 7.8534 119.8813 59.7296 41.3250 183.2273 59 A 4.2927 7.5543 121.1005 55.7971 18.1317 179.8801 60 E 4.1571 8.7536 119.7772 60.6747 29.9416 181.3331 61 R 4.7922 7.5168 120.8138 60.6194 31.4241 183.4895 62 K 4.5153 9.4195 120.6844 56.9662 32.0277 180.3394 63 A 4.6172 7.8630 123.9388 56.3073 19.5684 180.0350 64 E 3.8911 8.2881 116.0281 61.5090 29.6181 180.3669 65 A 4.4176 8.2777 123.0251 53.7736 17.8490 179.5698 66 E 4.1641 8.6745 124.4239 61.3494 31.0021 180.9202 67 R 4.4541 8.6701 122.9052 60.6322 29.3324 182.9969 68 L 4.3599 8.6926 123.5557 60.2062 41.3143 182.2595 69 K 4.1550 8.5803 127.4747 60.6322 31.7073 181.4165 70 E 4.0777 7.9773 120.4429 61.1035 29.3270 181.6377 71 I 4.1965 7.8202 119.9375 65.0098 35.5756 181.8352 72 L 4.8415 8.3318 120.7805 55.6126 41.2764 184.5155 73 E 4.0862 8.0708 119.6666 60.0444 29.4917 180.7361 74 N 4.4241 7.5956 119.0505 49.3398 38.3901 176.8563 75 L 3.6366 7.8916 123.8898 55.1830 42.2166 178.6986 76 T 4.5892 8.2085 116.9128 60.8264 67.5363 178.2119 77 L 4.3889 10.1235 120.2126 52.7644 38.7999 177.9500 78 T 3.3712 8.6729 108.4669 63.6836 64.5332 169.2124 79 I 4.3514 7.7441 123.3036 57.0241 37.4189 173.9785 80 P 4.7553 0.0000 0.0000 62.8598 29.6272 177.3723 81 V 3.7814 8.0358 118.9933 61.5467 32.6437 178.6224 82 R 4.2244 8.5760 123.9975 54.5196 30.2391 173.1021 83 A 4.5280 7.8063 123.8584 52.1277 25.1485 174.2130 84 G 4.3727 8.8227 109.7621 46.2727 0.0000 175.7410 85 E 3.8435 9.6612 114.9196 58.9214 28.0729 180.3866 86 T 4.1867 8.5715 115.5098 63.8940 69.5222 180.5744 87 K 4.3027 7.7036 128.6953 56.9257 32.1005 179.5597 88 I 4.0921 8.5984 108.7055 63.2964 38.2331 172.5342 *89 Y 3.8098 7.5476 124.7390 54.8930 39.1655 176.6894 90 G 3.8552 8.8974 112.6525 47.9332 0.0000 172.6843 91 S 4.8286 8.3483 120.4392 57.4912 64.5063 176.0589 92 V 4.0268 8.1923 125.5189 61.3580 32.2524 176.0146 93 T 4.3124 8.4518 120.4818 59.5162 69.3751 172.4094 94 A 4.0101 8.8749 126.1814 56.3702 18.1387 181.1008 95 K 4.1316 8.1248 124.3205 60.2362 31.6876 183.3891 96 D 4.5927 7.8163 120.3616 58.6533 40.2043 180.8938 97 I 4.0175 7.9971 121.7851 64.7842 37.0001 177.5031 98 A 4.0133 7.9457 122.4001 55.9621 17.8903 179.4228 99 E 3.9535 8.0863 117.2955 60.3213 30.5294 180.6618 100 A 4.6161 8.3538 123.0651 55.4458 18.8899 179.4443 101 L 4.0718 8.3112 116.2940 55.8668 40.9704 180.9155 102 S 5.4396 7.9178 117.1836 59.2752 63.7619 179.9001 103 R 4.5119 8.5434 118.8066 58.8712 31.2087 183.3668 104 Q 4.1965 8.1413 117.1107 57.4846 28.3399 178.5382 *105 H 4.8656 7.6733 109.4509 54.0704 31.1569 178.5295 106 G 4.2677 8.6753 107.6201 47.0642 0.0000 175.7958 107 V 3.9558 7.4005 117.2806 62.8004 31.4964 177.5661 108 T 4.5841 7.9327 106.8951 62.7123 71.7248 168.9755 109 I 4.6199 8.1573 124.0129 57.6746 39.5587 175.5891 110 D 4.6542 8.3403 116.7989 53.6261 38.1259 173.4690 111 P 4.2432 0.0000 0.0000 65.5104 31.2149 178.2872 112 K 4.5043 7.9051 120.5977 54.6043 32.5074 180.4074 113 R 4.7330 8.0431 116.4663 56.9365 31.2675 178.4826 114 L 4.4688 7.7765 118.7364 53.6640 42.9742 178.6384 115 A 3.6092 8.2235 120.1649 54.4069 15.4454 178.5182 116 L 4.4283 7.8336 123.2928 55.0949 40.5912 179.7460 117 E 4.5002 8.8132 121.8300 54.9705 29.8415 175.0320 118 K 4.5444 7.2475 122.3019 54.8618 35.8586 179.0658 119 P 4.5608 0.0000 0.0000 65.1801 30.4587 178.7680 120 I 3.4644 7.7907 115.9913 61.6063 31.5993 177.3521 121 K 4.4093 8.3322 132.6192 55.0360 33.5719 175.5194 122 E 4.2358 8.1235 117.4213 56.7549 29.9966 182.2947 123 L 4.5212 8.3391 123.1512 53.8582 40.6108 174.6299 124 G 4.1185 8.2842 110.6555 46.5613 0.0000 175.9249 125 E 4.2576 8.0705 112.0211 55.9422 30.3731 177.1557 *126 Y 5.3400 7.7258 127.0725 59.2055 40.2542 174.1705 127 V 4.5759 8.1772 127.1319 60.4342 34.0806 173.3941 128 L 4.5058 9.2264 121.8215 56.0296 45.8639 175.8471 129 T 4.8159 8.5801 119.5933 60.8795 71.8491 171.7406 *130 Y 4.7312 7.7151 127.9683 55.9923 40.9735 171.0949 131 K 4.1193 8.0870 120.8701 54.1361 35.0152 173.2546 132 P 4.2443 0.0000 0.0000 65.9563 32.1464 176.7626 *133 H 4.0508 9.2884 122.1760 54.8917 26.3572 170.8166 134 P 4.4114 0.0000 0.0000 63.2080 32.6465 176.9361 135 E 4.3934 8.4314 117.8653 56.0612 30.6335 176.9639 136 V 4.5036 7.9204 114.8129 65.2794 31.1910 174.3069 137 P 4.1151 0.0000 0.0000 61.6216 30.4792 176.4929 138 I 4.7593 8.4942 126.9867 59.9933 40.6229 170.8042 139 Q 4.6573 8.3051 119.3696 58.5706 31.8768 170.4516 140 L 4.6768 8.5540 117.7903 56.0888 46.6705 172.5617 141 K 4.7639 8.0253 122.1076 56.8313 32.1460 176.9927 142 V 4.4723 8.8279 115.8125 63.3458 32.9660 176.8801 143 S 3.7828 7.9275 117.0302 59.4990 59.6485 175.1529 144 V 3.8536 7.8659 123.0120 60.6279 31.1371 178.9246 145 V 3.2773 8.4505 113.0013 61.9035 29.9452 175.4501 *146 A 4.1825 8.0693 128.0691 53.1911 18.7144 177.4412 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 M 8.16 4.50 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 2 K 8.50 4.23 0.00 1.81 1.74 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 10.07 5.02 2.19 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 0.77 0.00 0.00 1.03 0.00 0.00 4 I 8.58 4.63 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.15 0.96 0.00 0.00 5 L 8.02 4.41 0.00 1.61 1.84 1.01 0.97 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 6 L 8.20 4.61 0.00 1.53 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.66 4.61 0.00 1.89 1.75 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 2.19 2.35 0.00 8 P 0.00 4.73 0.00 2.23 2.15 0.00 3.84 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 1.99 1.99 0.00 9 L 7.56 4.12 0.00 1.98 1.75 1.04 0.81 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 10 E 8.42 4.57 0.00 1.94 1.86 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 2.24 2.27 0.00 11 N 7.84 4.71 0.00 3.03 3.05 0.00 0.00 6.80 7.73 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 12 L 7.44 4.58 0.00 1.73 1.68 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.55 4.37 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 0.00 0.00 0.00 14 D 8.49 4.27 0.00 2.90 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 15 V 8.08 3.65 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 0.70 0.00 0.00 0.91 0.00 0.00 16 G 9.24 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 17 Q 8.30 3.99 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 18 V 8.75 4.93 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 0.63 0.00 0.00 0.94 0.00 0.00 19 V 8.26 4.74 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 0.83 0.00 0.00 0.93 0.00 0.00 20 D 8.36 5.34 0.00 2.75 2.63 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 21 V 8.24 4.50 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 0.81 0.00 0.00 1.19 0.00 0.00 22 K 8.88 4.07 0.00 1.86 1.78 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.45 7.81 23 P 0.00 4.08 0.00 2.21 2.02 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 24 G 8.27 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 0.00 0.00 0.00 25 Y 8.81 4.01 0.00 3.00 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 26 A 8.01 4.01 1.40 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 27 R 8.55 3.88 0.00 1.96 2.05 0.00 3.16 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 28 N 8.30 4.79 0.00 2.75 2.86 0.00 0.00 6.83 7.21 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 29 Y 7.47 4.57 0.00 2.53 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.84 0.00 1.89 1.65 1.20 0.85 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 31 L 8.05 3.89 0.00 1.71 1.72 0.98 0.99 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 32 P 0.00 4.38 0.00 2.08 2.05 0.00 3.64 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 2.18 2.20 0.00 33 R 7.34 4.21 0.00 1.42 1.75 0.00 2.21 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 34 G 7.38 3.95 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 0.00 35 L 8.16 4.59 0.00 1.37 1.63 0.73 0.86 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 36 A 7.26 4.43 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 37 V 8.02 4.41 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 1.00 0.00 0.00 0.92 0.00 0.00 38 L 8.94 4.21 0.00 1.69 1.63 0.92 0.90 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 39 A 8.45 4.67 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 40 T 8.68 3.86 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 41 E 9.10 3.51 0.00 2.00 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 2.41 2.34 0.00 42 S 8.05 4.07 0.00 3.85 3.93 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 43 N 7.95 4.60 0.00 2.72 2.83 0.00 0.00 6.70 6.99 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 44 L 8.58 3.86 0.00 1.96 1.76 0.93 0.44 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 45 K 8.62 4.77 0.00 2.06 2.05 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.32 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.73 7.81 46 A 8.28 3.73 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.17 0.00 1.94 1.73 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.93 4.01 0.00 1.95 2.01 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 2.46 2.49 0.00 49 A 7.32 4.35 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 50 R 7.60 4.35 0.00 1.75 1.96 0.00 3.18 0.00 0.00 3.37 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 51 I 10.69 4.00 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.91 0.00 0.00 52 R 8.51 4.51 0.00 1.62 1.84 0.00 3.26 0.00 0.00 3.17 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 53 A 8.27 4.10 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 54 Q 8.24 4.06 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 55 A 8.29 4.63 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 56 K 7.92 4.47 0.00 1.79 1.81 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.30 7.81 57 R 7.73 4.24 0.00 1.85 1.97 0.00 3.23 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 58 L 7.85 4.64 0.00 1.64 1.69 0.92 0.85 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 59 A 7.55 4.29 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 60 E 8.75 4.16 0.00 2.07 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 2.26 2.21 0.00 61 R 7.52 4.79 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 62 K 9.42 4.52 0.00 1.86 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 A 7.86 4.62 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 64 E 8.29 3.89 0.00 1.98 2.01 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 2.32 1.98 0.00 65 A 8.28 4.42 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 66 E 8.67 4.16 0.00 2.08 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 2.24 2.00 0.00 67 R 8.67 4.45 0.00 1.80 1.80 0.00 3.26 0.00 0.00 3.20 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 68 L 8.69 4.36 0.00 1.59 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.58 4.16 0.00 1.70 1.86 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.35 7.81 70 E 7.98 4.08 0.00 2.05 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 2.25 2.20 0.00 71 I 7.82 4.20 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.91 0.00 0.00 72 L 8.33 4.84 0.00 1.61 1.56 0.92 0.77 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 73 E 8.07 4.09 0.00 2.01 1.87 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 2.26 2.12 0.00 74 N 7.60 4.42 0.00 2.73 2.57 0.00 0.00 6.64 7.79 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 75 L 7.89 3.64 0.00 1.78 1.51 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.21 4.59 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 77 L 10.12 4.39 0.00 1.73 1.30 0.92 0.79 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 78 T 8.67 3.37 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 79 I 7.74 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.91 0.00 0.00 80 P 0.00 4.76 0.00 2.16 2.15 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 81 V 8.04 3.78 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 0.69 0.00 0.00 0.93 0.00 0.00 82 R 8.58 4.22 0.00 1.83 1.75 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 83 A 7.81 4.53 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 84 G 8.82 4.37 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 0.00 0.00 0.00 85 E 9.66 3.84 0.00 1.99 1.14 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 2.25 1.93 0.00 86 T 8.57 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 1.21 0.00 0.00 87 K 7.70 4.30 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 88 I 8.60 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.91 0.00 0.00 *89 Y 7.55 3.81 0.00 2.40 1.61 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 90 G 8.90 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 91 S 8.35 4.83 0.00 3.40 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 92 V 8.19 4.03 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 0.62 0.00 0.00 0.93 0.00 0.00 93 T 8.45 4.31 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 94 A 8.87 4.01 1.32 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 95 K 8.12 4.13 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 96 D 7.82 4.59 0.00 2.77 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 97 I 8.00 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.91 0.00 0.00 98 A 7.95 4.01 1.37 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 0.00 0.00 99 E 8.09 3.95 0.00 2.04 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 2.27 2.23 0.00 100 A 8.35 4.62 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 0.00 101 L 8.31 4.07 0.00 1.69 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.92 5.44 0.00 3.61 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 0.00 103 R 8.54 4.51 0.00 1.64 1.91 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 104 Q 8.14 4.20 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.80 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *105 H 7.67 4.87 0.00 3.01 2.91 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.68 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 0.00 0.00 0.00 0.00 107 V 7.40 3.96 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 0.73 0.00 0.00 0.93 0.00 0.00 108 T 7.93 4.58 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 0.00 109 I 8.16 4.62 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.91 0.00 0.00 110 D 8.34 4.65 0.00 2.60 2.63 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 0.00 111 P 0.00 4.24 0.00 2.16 2.23 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 112 K 7.91 4.50 0.00 1.79 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 0.99 7.81 113 R 8.04 4.73 0.00 1.77 1.72 0.00 3.21 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 114 L 7.78 4.47 0.00 1.64 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.22 3.61 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 0.00 116 L 7.83 4.43 0.00 1.58 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.81 4.50 0.00 1.98 1.86 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 2.23 1.87 0.00 118 K 7.25 4.54 0.00 1.63 1.68 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 1.05 7.81 119 P 0.00 4.56 0.00 2.17 2.08 0.00 3.84 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 2.11 2.04 0.00 120 I 7.79 3.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.91 0.00 0.00 121 K 8.33 4.41 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 0.97 7.81 122 E 8.12 4.24 0.00 1.89 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 2.31 1.87 0.00 123 L 8.34 4.52 0.00 1.40 1.66 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.28 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 0.00 125 E 8.07 4.26 0.00 2.13 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 2.11 2.07 0.00 *126 Y 7.73 5.34 0.00 2.05 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 0.00 0.00 0.00 0.00 127 V 8.18 4.58 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 0.85 0.00 0.00 0.93 0.00 0.00 128 L 9.23 4.51 0.00 1.22 1.48 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.58 4.82 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 *130 Y 7.72 4.73 0.00 2.05 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 0.00 0.00 0.00 131 K 8.09 4.12 0.00 1.79 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.11 0.79 7.81 132 P 0.00 4.24 0.00 2.03 2.04 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 *133 H 9.29 4.05 0.00 3.09 2.79 0.00 7.21 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.41 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 135 E 8.43 4.39 0.00 1.99 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 2.23 1.87 0.00 136 V 7.92 4.50 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 0.92 0.00 0.00 0.93 0.00 0.00 137 P 0.00 4.12 0.00 1.98 2.01 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 138 I 8.49 4.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.86 0.91 0.00 0.00 139 Q 8.31 4.66 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.70 0.00 0.00 0.00 0.00 0.00 2.11 1.86 0.00 140 L 8.55 4.68 0.00 1.61 1.43 0.92 0.57 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 0.00 141 K 8.03 4.76 0.00 1.60 0.74 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 0.98 7.81 142 V 8.83 4.47 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 1.02 0.00 0.00 0.93 0.00 0.00 143 S 7.93 3.78 0.00 3.78 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 0.00 144 V 7.87 3.85 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 0.86 0.00 0.00 0.93 0.00 0.00 145 V 8.45 3.28 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 0.85 0.00 0.00 0.93 0.00 0.00 *146 A 8.07 4.18 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.