NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3896 8.1849 120.6196 54.9361 43.1189 175.6930 8 H 4.7550 8.3796 116.2581 53.5744 32.3011 171.9367 9 K 4.5374 9.3733 124.7062 56.1036 33.9992 175.8174 10 E 5.0237 9.1772 123.3718 53.5529 33.6742 173.7803 11 P 4.7901 0.0000 0.0000 63.5011 32.2563 174.9485 12 A 4.9417 8.1327 121.9927 51.5789 22.9270 175.5895 13 T 4.9564 8.4228 108.6030 58.2364 72.1700 173.4032 14 L 4.1821 8.9605 126.4057 56.1791 42.2427 176.0032 15 I 4.2767 8.6545 127.4663 62.5078 38.4119 176.1590 16 K 4.4519 7.6034 119.5827 55.0961 35.4350 174.2581 17 A 4.3248 8.8811 130.5560 52.6745 18.3576 175.5308 18 I 4.3607 7.7787 120.6260 61.7587 39.1206 177.8524 19 D 4.7211 7.6416 120.6431 51.8507 41.7462 176.0362 20 G 4.0781 9.3414 105.7465 48.1965 0.0000 173.7239 21 D 5.1585 8.1439 116.7727 52.6590 41.2118 175.4921 22 T 5.3884 8.1684 109.1841 60.5495 72.5445 173.1508 23 V 4.5718 8.6495 122.2288 60.3891 35.4391 173.0204 24 K 4.9865 9.2202 126.1419 55.6793 33.3978 175.3291 25 L 5.3031 9.0916 126.7474 53.0761 46.3450 175.2140 26 M 4.8732 9.3789 122.6138 55.1393 33.5947 174.2886 27 Y 5.0578 9.1600 127.5501 56.4663 42.4504 175.4741 28 K 3.6549 9.2511 125.2363 57.4190 29.8750 175.8014 29 G 3.9458 8.3812 103.9154 45.6289 0.0000 173.6492 30 Q 4.8918 7.8458 119.0535 52.9109 31.9557 173.3007 31 P 4.9506 0.0000 0.0000 63.3098 32.3223 175.5387 32 M 4.8954 9.2921 122.3302 53.9508 37.0376 174.1441 33 T 4.7430 8.4316 118.8667 63.1249 70.3847 173.4866 34 F 4.9076 9.5308 125.8322 55.7837 41.5411 174.6127 35 R 5.0459 9.2435 124.5348 54.2814 31.9619 175.2542 36 L 4.3582 8.7056 127.5819 54.7585 42.0755 177.3098 37 L 3.9968 8.4530 124.2400 55.8187 42.7871 178.1893 38 L 4.2464 8.9500 119.9619 55.5314 39.2617 173.9931 39 V 5.1415 7.3322 110.4879 59.6346 35.9858 174.8786 40 D 4.9820 9.1901 121.7559 53.0773 44.2985 174.6529 41 T 4.8109 9.0620 116.9883 60.2670 70.7402 172.7342 42 P 4.5892 0.0000 0.0000 62.6683 32.2943 176.2584 43 E 4.0161 9.4411 122.7855 56.7666 30.1873 177.7497 *50 F 4.6785 8.5983 123.4518 58.3255 41.0407 175.4630 51 N 4.6366 8.2744 114.6890 52.9159 37.5198 173.8955 52 E 4.6130 8.2073 119.1881 53.8304 32.5229 175.1445 53 K 3.7507 8.2389 121.2286 58.1844 32.5038 176.5335 54 Y 3.9237 7.6422 120.9528 58.7246 36.1908 171.5427 55 G 3.5244 8.1160 107.9461 47.4924 0.0000 174.1385 56 P 4.2026 0.0000 0.0000 65.0796 31.1868 178.6339 57 E 4.0358 8.1038 116.6200 59.1842 29.4811 179.0029 58 A 4.0764 8.3501 121.0971 55.3404 18.0998 179.7113 59 S 4.1478 8.3518 113.4167 61.8892 62.8898 176.9310 60 A 4.0764 8.3159 123.3202 55.0030 18.1424 179.4082 61 F 3.9393 8.4881 119.1226 61.8514 39.5081 177.3916 62 T 3.9353 8.2301 115.3110 66.4967 68.1739 176.4527 63 K 3.8890 8.1695 121.3701 59.4447 32.2549 178.7248 64 K 3.8417 8.2370 120.1747 59.6314 31.8605 178.4120 65 M 3.8288 7.5831 117.2988 58.7258 32.6063 178.2565 66 V 3.8344 7.9327 112.4760 64.0503 31.6251 178.4855 67 E 4.0822 8.2254 118.0205 59.4083 29.4020 178.7465 68 N 4.4594 8.2023 114.8122 54.2855 39.0799 175.7575 69 A 4.8143 6.7641 121.5295 51.7047 19.0214 177.6411 70 K 4.1976 9.0298 120.6081 57.7488 32.8932 177.4789 71 K 4.5615 7.9479 119.7288 54.6792 35.2122 174.7240 72 E 5.1837 8.8417 126.6020 54.9612 32.1695 174.8449 73 E 4.9156 9.0550 121.6452 54.7559 34.4412 174.8669 74 V 4.6910 8.9420 115.0069 59.4662 35.3393 174.5589 75 E 4.9817 8.9716 124.6061 54.5452 32.2646 175.0080 76 F 4.7522 8.8632 125.6728 57.3332 40.4027 175.7032 77 D 4.9777 8.4723 120.4442 53.3676 43.2499 175.8125 78 K 4.3465 8.9330 117.3814 57.9706 33.2685 178.5677 79 G 4.1602 7.8884 108.6266 44.8543 0.0000 174.0945 80 Q 4.0058 8.6870 126.0387 56.3533 29.6032 176.2434 81 R 4.5705 8.4751 122.4693 56.4053 31.3163 175.9459 82 T 4.9506 7.3938 107.2486 59.6876 71.8516 173.3907 83 D 4.6432 8.7922 124.4561 51.5639 41.4161 177.1332 84 K 3.8617 8.1280 117.3094 59.4458 32.3202 177.0603 85 Y 4.4188 7.8249 116.0146 57.7893 38.1102 176.4238 86 G 3.9169 8.4448 108.8913 45.2484 0.0000 173.9453 87 R 4.2029 7.9103 119.2854 55.4730 31.4235 176.4714 88 G 3.5485 8.5140 110.9905 46.1453 0.0000 172.4961 89 L 5.3568 9.0079 122.2108 52.0360 43.9147 175.7145 90 A 4.5182 8.2542 124.1831 50.7836 23.3150 173.8446 91 Y 4.8381 8.5447 117.3719 57.2818 39.7703 175.0565 92 I 4.8085 8.6202 124.6936 59.6874 40.1460 174.1428 93 Y 5.1464 8.9392 123.7078 56.0371 41.3704 174.4414 94 A 4.9657 9.1490 125.9121 50.2693 21.7185 176.3541 95 D 4.4734 9.9694 125.3539 55.8150 39.0988 175.9745 96 G 4.0282 8.3601 104.6779 45.4305 0.0000 173.4847 97 K 4.5621 7.8791 120.2164 54.7571 33.9116 175.2924 98 M 4.0265 8.4567 123.2551 54.7834 33.1556 176.9940 99 V 3.6163 8.6910 127.1465 66.1123 31.6732 177.4921 100 N 4.3094 8.1248 115.7761 56.6184 38.4401 176.8111 101 E 3.9220 8.0807 119.6133 59.1467 29.9199 178.3934 102 A 4.0862 8.0880 120.9059 55.1199 18.4454 179.5453 103 L 3.4415 8.1540 117.5029 57.9019 41.6723 180.0298 104 V 3.8508 7.4930 119.4502 65.5068 31.2739 178.0468 105 R 4.0739 8.4550 117.7029 58.9384 29.9227 177.4577 106 Q 4.3845 7.5497 115.3943 54.6815 29.1106 175.7661 107 G 3.8936 8.1079 108.5859 46.7397 0.0000 175.0149 108 L 4.5094 7.7592 117.5764 54.1689 42.8242 176.3158 109 A 4.8229 7.5304 119.8846 50.3658 23.1086 175.0475 110 K 4.9445 8.5751 118.7211 54.5485 34.7380 176.5260 111 V 4.2822 9.4726 124.2464 63.4451 32.0842 174.9457 112 A 4.1960 9.3050 127.2006 51.3164 23.3074 175.0505 113 Y 3.2535 7.6052 113.7268 59.0352 35.1795 173.2289 114 V 3.9856 7.2309 119.0714 61.9079 31.1244 173.5449 115 Y 4.6748 8.0188 124.0867 55.4426 39.5636 175.5269 116 K 3.9596 8.7558 124.6058 58.3699 32.4765 177.1829 117 G 4.0612 9.1619 112.9695 45.9122 0.0000 172.9024 118 N 5.2796 8.0030 116.3207 52.5918 39.2037 174.2362 119 N 5.2513 7.8559 109.7988 52.7452 38.7569 176.8106 120 T 3.8293 8.8580 118.4846 68.0810 68.7671 174.9403 121 H 4.8056 7.9781 116.3982 55.8077 29.0577 176.6891 122 E 3.9547 8.3507 122.9549 59.8698 29.3902 179.1126 123 Q 3.9782 8.0299 117.4179 58.6076 28.9489 178.0660 124 L 3.9496 7.9287 121.0407 58.3170 42.0283 179.0145 125 L 4.0618 7.9632 118.8123 57.8258 41.6075 179.6871 126 R 3.9053 8.3604 118.4044 58.9274 30.0157 179.0190 127 K 3.9144 8.2301 119.4799 59.3143 32.1566 178.7888 128 A 4.2528 7.7639 122.0368 54.5572 18.2134 179.1871 129 E 3.8772 8.5014 117.9094 59.3363 29.6296 178.8374 130 A 3.7481 7.9660 120.7423 55.1548 18.0643 179.6660 131 Q 3.8295 7.9390 115.9783 59.0846 28.8070 178.7624 132 A 4.0209 8.0284 121.7828 55.1652 18.4248 179.6489 133 K 3.5015 7.9641 118.3724 59.2046 31.8950 178.9973 134 K 3.8930 7.9650 119.4760 59.3820 32.2419 177.9576 135 E 4.1565 8.3576 116.1653 55.8434 29.9495 176.5211 136 K 4.1289 7.6875 117.1037 56.0889 30.5086 175.3038 137 L 4.4132 8.2321 118.1610 54.9803 44.5440 177.6055 138 N 3.6947 9.2682 121.2486 53.9254 37.4632 177.0536 139 I 3.0280 5.4200 121.9236 63.6301 38.0306 177.3183 140 W 4.8241 7.7965 120.3932 56.5379 29.2055 176.5555 141 S 4.4540 8.0251 119.8631 58.5503 62.6599 173.9531 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 L 8.18 4.39 0.00 1.82 1.78 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.38 4.75 0.00 3.23 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.37 4.54 0.00 1.53 1.71 0.00 1.38 0.00 0.00 1.27 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.20 7.81 10 E 9.18 5.02 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 11 P 0.00 4.79 0.00 2.10 2.08 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 12 A 8.13 4.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.42 4.96 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 14 L 8.96 4.18 0.00 1.66 1.63 0.93 1.08 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 15 I 8.65 4.28 2.05 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 1.15 0.76 0.93 0.00 0.00 16 K 7.60 4.45 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 A 8.88 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.78 4.36 2.04 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 1.47 0.84 0.90 0.00 0.00 19 D 7.64 4.72 0.00 2.84 2.79 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 20 G 9.34 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.14 5.16 0.00 2.87 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 22 T 8.17 5.39 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 1.22 0.00 0.00 23 V 8.65 4.57 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 0.74 0.00 0.00 1.02 0.00 0.00 24 K 9.22 4.99 0.00 1.92 1.76 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.72 7.81 25 L 9.09 5.30 0.00 1.80 1.53 0.38 0.50 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 26 M 9.38 4.87 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 27 Y 9.16 5.06 0.00 3.30 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 28 K 9.25 3.65 0.00 1.46 1.58 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.97 0.21 7.81 29 G 8.38 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 30 Q 7.85 4.89 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 31 P 0.00 4.95 0.00 2.11 2.10 0.00 3.75 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 2.01 2.02 0.00 32 M 9.29 4.90 0.00 1.58 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 33 T 8.43 4.74 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 1.22 0.00 0.00 34 F 9.53 4.91 0.00 3.12 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 35 R 9.24 5.05 0.00 1.89 1.89 0.00 3.35 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 36 L 8.71 4.36 0.00 1.57 1.63 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.45 4.00 0.00 0.84 1.34 0.28 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.95 4.25 0.00 2.07 1.95 1.19 1.24 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 39 V 7.33 5.14 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 0.78 0.00 0.00 1.04 0.00 0.00 40 D 9.19 4.98 0.00 2.89 2.54 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 41 T 9.06 4.81 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 1.31 0.00 0.00 42 P 0.00 4.59 0.00 2.04 2.06 0.00 3.68 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 2.12 2.09 0.00 43 E 9.44 4.02 0.00 2.01 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 2.47 2.43 0.00 *50 F 8.60 4.68 0.00 3.02 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 51 N 8.27 4.64 0.00 2.90 2.99 0.00 0.00 5.85 7.66 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 52 E 8.21 4.61 0.00 2.05 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 2.20 2.19 0.00 53 K 8.24 3.75 0.00 1.55 1.64 0.00 1.33 0.00 0.00 1.45 0.00 0.00 2.34 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.20 0.75 7.81 54 Y 7.64 3.92 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 55 G 8.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.20 0.00 1.99 1.84 0.00 3.34 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.15 0.00 57 E 8.10 4.04 0.00 2.17 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 0.00 2.49 2.48 0.00 58 A 8.35 4.08 1.44 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 0.00 0.00 59 S 8.35 4.15 0.00 4.30 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 60 A 8.32 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.49 3.94 0.00 3.33 3.27 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 62 T 8.23 3.94 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 1.29 0.00 0.00 63 K 8.17 3.89 0.00 1.97 2.03 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.52 7.81 64 K 8.24 3.84 0.00 1.85 1.75 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 65 M 7.58 3.83 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 66 V 7.93 3.83 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 0.79 0.00 0.00 1.00 0.00 0.00 67 E 8.23 4.08 0.00 2.08 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 2.34 2.34 0.00 68 N 8.20 4.46 0.00 2.72 2.84 0.00 0.00 7.02 6.87 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 69 A 6.76 4.81 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 70 K 9.03 4.20 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 71 K 7.95 4.56 0.00 1.77 1.71 0.00 1.68 0.00 0.00 1.96 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 72 E 8.84 5.18 0.00 2.18 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 2.30 2.36 0.00 73 E 9.06 4.92 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 74 V 8.94 4.69 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 -0.10 0.00 0.00 0.49 0.00 0.00 75 E 8.97 4.98 0.00 2.18 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 2.49 2.56 0.00 76 F 8.86 4.75 0.00 3.04 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 77 D 8.47 4.98 0.00 2.76 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 78 K 8.93 4.35 0.00 1.97 1.89 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.57 7.81 79 G 7.89 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 0.00 0.00 0.00 0.00 80 Q 8.69 4.01 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 81 R 8.48 4.57 0.00 1.66 1.47 0.00 2.71 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 82 T 7.39 4.95 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 1.14 0.00 0.00 83 D 8.79 4.64 0.00 2.73 2.79 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 84 K 8.13 3.86 0.00 1.58 1.71 0.00 1.23 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.68 0.21 7.81 85 Y 7.82 4.42 0.00 3.09 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 86 G 8.44 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 87 R 7.91 4.20 0.00 2.06 1.88 0.00 3.13 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 1.71 1.70 0.00 88 G 8.51 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 0.00 0.00 0.00 89 L 9.01 5.36 0.00 1.55 1.59 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.25 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.54 4.84 0.00 3.02 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 92 I 8.62 4.81 1.78 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.82 0.00 0.00 93 Y 8.94 5.15 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 9.15 4.97 1.22 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 0.00 0.00 0.00 95 D 9.97 4.47 0.00 2.84 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 96 G 8.36 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 0.00 0.00 0.00 97 K 7.88 4.56 0.00 1.96 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.38 7.81 98 M 8.46 4.03 0.00 1.85 1.52 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.38 0.00 99 V 8.69 3.62 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 1.05 0.00 0.00 0.94 0.00 0.00 100 N 8.12 4.31 0.00 2.92 2.96 0.00 0.00 6.74 7.66 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 0.00 101 E 8.08 3.92 0.00 1.97 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 2.36 0.00 102 A 8.09 4.09 1.66 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 0.00 103 L 8.15 3.44 0.00 1.88 1.66 1.03 0.69 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 0.00 104 V 7.49 3.85 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 1.32 0.00 0.00 1.01 0.00 0.00 105 R 8.46 4.07 0.00 1.83 2.09 0.00 3.35 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.55 4.38 0.00 1.57 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.46 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 107 G 8.11 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 0.00 108 L 7.76 4.51 0.00 1.29 1.52 0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.53 4.82 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 0.00 110 K 8.58 4.94 0.00 1.74 1.79 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.34 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.13 7.81 111 V 9.47 4.28 2.12 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 0.74 0.00 0.00 1.01 0.00 0.00 112 A 9.31 4.20 1.11 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 0.00 0.00 0.00 0.00 0.00 113 Y 7.61 3.25 0.00 3.18 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.23 3.99 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 0.92 0.00 0.00 0.96 0.00 0.00 115 Y 8.02 4.67 0.00 3.09 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 0.00 116 K 8.76 3.96 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 117 G 9.16 4.06 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 0.00 0.00 0.00 118 N 8.00 5.28 0.00 2.82 2.87 0.00 0.00 6.68 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.86 5.25 0.00 2.87 3.18 0.00 0.00 6.08 7.22 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 0.00 120 T 8.86 3.83 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 1.07 0.00 0.00 121 H 7.98 4.81 0.00 2.84 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.35 3.95 0.00 2.19 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 2.33 2.40 0.00 123 Q 8.03 3.98 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 L 7.93 3.95 0.00 1.74 1.84 0.90 0.54 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 0.00 125 L 7.96 4.06 0.00 2.10 1.74 0.98 1.11 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 0.00 126 R 8.36 3.91 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 127 K 8.23 3.91 0.00 1.86 1.96 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.76 4.25 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 0.00 129 E 8.50 3.88 0.00 2.07 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 0.00 2.04 2.53 0.00 130 A 7.97 3.75 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 0.00 131 Q 7.94 3.83 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 132 A 8.03 4.02 1.57 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 0.00 0.00 133 K 7.96 3.50 0.00 0.79 1.43 0.00 1.19 0.00 0.00 1.24 0.00 0.00 2.45 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.07 0.48 7.81 134 K 7.97 3.89 0.00 1.80 1.91 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.36 4.16 0.00 2.03 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 2.34 2.39 0.00 136 K 7.69 4.13 0.00 1.92 1.91 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 137 L 8.23 4.41 0.00 1.88 1.68 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.27 3.69 0.00 2.63 1.51 0.00 0.00 6.90 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 0.00 139 I 5.42 3.03 1.22 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 0.47 0.00 0.00 140 W 7.80 4.82 0.00 3.57 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 0.00 141 S 8.03 4.45 0.00 4.01 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 0.00 * Residues marked with a * may have inaccurate shift predictions.