NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3194 8.1076 122.4196 52.1483 20.5280 175.1282 3 F 5.6628 7.4506 112.2412 56.1231 40.6885 171.9008 4 Q 4.7066 9.8689 119.3749 54.2089 33.3762 175.1560 5 L 5.1541 8.6562 122.2972 53.0120 44.1566 175.6025 6 E 4.5918 8.6916 123.9122 54.7325 33.5430 173.8611 7 M 4.6845 8.7743 126.8861 55.4308 32.1564 175.8518 8 V 4.1355 7.9001 119.4970 61.5583 33.1071 175.2331 9 T 4.0314 7.2234 112.8284 61.1000 69.9372 170.9091 10 R 3.9287 8.7051 122.6886 57.8915 29.9851 175.5094 11 E 4.0391 8.9305 122.2693 56.6928 27.3888 173.2895 12 T 5.1465 8.0289 116.9446 61.7853 70.9457 173.5257 13 V 4.8149 8.4956 126.5716 59.7624 34.7355 174.8304 14 V 4.3885 8.7848 124.1690 61.6743 33.1637 174.5461 15 I 4.3675 8.2059 130.1584 59.9778 38.5131 175.2678 16 R 4.8027 9.0171 128.4908 55.1343 31.3269 175.8371 17 L 5.1116 8.7632 125.9215 53.1187 42.8318 176.2032 18 F 5.0175 8.3728 118.5464 55.4565 41.2711 176.7820 19 G 3.9433 9.2746 108.8092 46.4463 0.0000 172.8301 20 E 5.1273 8.7484 121.5832 54.6666 31.6671 175.7582 21 L 4.6985 9.4428 126.1989 53.5025 44.3144 175.3549 22 D 5.3294 8.4533 127.1942 52.1100 42.0604 176.9868 23 H 4.1998 8.8009 113.4688 58.8082 28.2626 177.2275 24 H 4.3851 7.9719 120.1416 58.1586 28.6032 177.2333 25 A 4.0502 8.5910 122.8158 55.1509 18.1608 179.6322 26 V 3.4601 7.9186 116.8566 66.4489 31.1867 178.1666 27 E 3.9641 8.3280 118.0437 59.3125 29.3094 179.3399 28 Q 4.0699 8.1007 118.2228 59.0410 28.7435 178.9972 29 I 3.4569 7.4094 120.6883 64.1493 37.1160 178.3631 30 R 3.8916 8.2075 119.5777 59.3716 29.9524 178.2735 31 A 4.0222 7.9872 120.3331 55.2747 18.4588 179.8494 32 K 3.9667 7.9253 116.6553 59.7431 32.0908 179.8373 33 I 3.7902 7.9935 120.2394 64.1602 37.0972 178.3459 34 S 4.2510 8.2394 114.0660 61.7429 62.1920 176.3534 35 T 4.0264 7.9372 117.6992 66.7161 68.1436 176.4353 36 A 4.2836 7.9609 123.9263 54.5970 18.3970 179.8287 37 I 3.7960 7.8563 119.7549 64.1821 36.9934 178.7967 38 F 4.2335 7.8020 117.0089 60.5411 38.5074 177.5155 39 Q 4.2589 8.4802 118.1179 56.8121 28.1787 177.7087 40 G 3.7782 7.8704 106.3042 45.7667 0.0000 173.9904 41 A 4.3694 8.3010 124.4713 52.2668 20.0737 178.3258 42 V 4.6430 7.5673 115.5501 61.3637 34.2805 175.3456 43 T 4.7562 8.8236 114.5864 61.1526 71.1896 173.3495 44 T 5.0694 7.8512 119.0903 61.8074 72.4462 172.6154 45 I 4.7000 8.9135 127.4789 59.5164 40.2628 174.8324 46 I 4.6213 8.3396 129.2935 59.7345 38.4292 175.6727 47 W 4.4496 9.2665 129.5714 56.1801 29.8519 175.4434 48 N 5.2051 8.9451 126.1012 52.0962 39.7054 175.0792 49 F 4.8492 9.1250 125.0069 57.0963 39.4776 175.4838 50 E 4.1831 8.2324 122.8149 58.1697 29.6600 177.0495 51 R 4.0152 9.0752 123.0291 56.4342 27.5456 175.2474 52 L 4.5234 8.1530 121.1308 55.5506 42.0573 176.6467 53 S 4.7960 8.7703 120.8307 57.7699 64.9130 173.6794 54 F 4.9017 7.2658 125.1012 58.2922 42.0776 171.7710 55 M 4.9184 6.9660 124.3067 52.1404 35.0551 174.9651 56 D 4.6443 8.7494 122.0344 54.1189 40.9127 180.0269 *58 S 4.4086 8.8160 111.2530 57.5229 64.9149 175.8426 59 G 3.6023 8.1928 108.9116 47.5530 0.0000 175.9409 60 V 3.5208 7.6303 120.1167 66.0090 31.6239 178.3388 61 G 3.5143 7.9515 104.8825 47.2656 0.0000 175.0094 62 L 3.9388 7.8298 122.7407 58.2412 42.0960 179.4112 63 V 2.7097 7.3761 117.4230 65.8310 31.5662 178.0528 64 L 4.0228 8.1134 119.1510 57.5450 41.3984 179.8070 65 G 3.5977 8.3804 106.1209 47.9872 0.0000 176.0907 66 R 4.3338 7.8129 121.5695 58.5984 29.9979 179.0883 67 M 4.0795 8.1796 118.7416 58.3638 32.0115 179.0273 68 R 3.8790 7.9327 118.1348 59.1690 29.7549 178.8339 69 E 3.9098 8.2646 118.4059 59.5032 29.4099 179.5273 70 L 3.7834 8.2743 119.3362 57.5657 41.6714 178.9743 71 E 3.9405 8.4271 119.3179 59.3563 29.3136 178.8167 72 A 4.1589 7.8336 119.0804 54.0709 18.3741 178.9625 73 V 4.1825 6.8195 108.5821 60.0714 32.3490 175.4078 74 A 3.6906 7.9656 120.0177 53.1931 16.3788 178.6332 75 G 4.0375 8.2167 108.1613 47.2761 0.0000 173.7634 76 R 4.8635 9.3758 119.6168 54.8115 33.3112 174.0654 77 T 5.2035 8.9330 122.5008 61.9155 71.0477 173.4334 78 I 4.5482 9.0868 127.5404 59.6892 40.2261 174.9606 79 L 5.0114 9.0770 128.3484 53.5579 41.9795 174.4400 80 L 4.8920 9.5560 126.8574 54.1406 43.7275 176.0680 81 N 4.7854 8.9004 124.1727 53.5170 36.6252 173.1302 82 P 4.3331 0.0000 0.0000 62.7394 32.4793 177.3892 83 S 4.4370 8.1965 116.0439 57.5901 65.0289 173.5506 84 P 4.2674 0.0000 0.0000 65.9201 31.1060 179.1623 85 T 3.7281 7.7037 113.9795 67.0177 68.4081 176.5517 86 M 3.3820 7.5791 120.2954 57.9404 31.6987 178.8010 87 R 3.9628 8.2024 119.3746 59.3032 30.1981 178.8007 88 K 3.9618 7.7397 118.2858 59.2374 31.8880 179.4474 89 V 3.5069 7.2938 118.0234 66.0150 31.3189 178.1532 90 F 4.5667 7.9546 117.8244 60.7427 38.8789 177.4696 91 Q 4.0378 8.5810 119.5979 59.1701 28.6346 177.9468 92 F 4.1349 8.2016 120.7747 61.4096 39.4777 176.7071 93 S 4.1843 7.9072 111.2612 59.2093 62.2282 174.5932 94 G 3.9398 7.8535 108.7381 46.0845 0.0000 173.4402 95 L 4.7517 8.4698 118.0456 54.3038 42.0023 178.9416 96 G 3.8811 8.4747 111.2902 48.5482 0.0000 174.3448 97 P 4.2782 0.0000 0.0000 63.8641 31.4640 176.6653 98 W 4.5897 8.7292 117.9800 56.8706 30.5008 175.7231 99 M 5.0993 8.0206 120.6001 54.6619 32.7897 175.6546 100 M 4.8574 9.0540 118.9510 54.1548 35.3961 173.4666 101 D 5.3371 8.5991 121.0382 53.4275 42.2671 175.3186 102 A 4.4584 8.2614 125.7672 50.1119 22.8391 176.0746 103 T 4.1359 8.4961 110.1458 61.5929 70.6086 175.1287 104 E 3.9111 8.7108 122.8139 59.6199 29.5757 178.8361 105 E 3.9210 8.1301 118.7475 59.2863 29.7531 178.4638 106 E 3.9319 8.3500 118.4252 59.2853 29.5216 179.1967 107 A 3.9973 8.0283 120.7734 55.2746 18.5039 179.7717 108 I 3.6695 8.0922 118.6797 64.6510 36.9428 178.4001 109 D 4.3761 8.1581 118.9631 57.4034 40.6931 178.5707 110 R 4.0127 7.8606 118.4167 59.1745 30.1053 178.4362 111 V 3.7152 7.4347 117.0195 65.9290 31.6643 176.4702 112 R 4.2163 7.8288 120.8228 56.7856 30.2040 176.2343 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 2 A 8.11 4.32 0.66 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 3 F 7.45 5.66 0.00 3.11 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 4 Q 9.87 4.71 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 5 L 8.66 5.15 0.00 1.56 1.57 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.69 4.59 0.00 2.02 1.70 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 2.18 2.23 0.00 7 M 8.77 4.68 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 8 V 7.90 4.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 9 T 7.22 4.03 4.23 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 1.20 0.00 0.00 10 R 8.71 3.93 0.00 1.78 1.86 0.00 3.46 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 11 E 8.93 4.04 0.00 2.22 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 2.42 2.26 0.00 12 T 8.03 5.15 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 1.18 0.00 0.00 13 V 8.50 4.81 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 0.62 0.00 0.00 0.83 0.00 0.00 14 V 8.78 4.39 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 0.97 0.00 0.00 0.88 0.00 0.00 15 I 8.21 4.37 0.79 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.61 0.00 0.00 16 R 9.02 4.80 0.00 2.00 2.06 0.00 3.28 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 17 L 8.76 5.11 0.00 1.65 1.75 1.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.37 5.02 0.00 3.07 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 19 G 9.27 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 0.00 0.00 0.00 20 E 8.75 5.13 0.00 2.08 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 2.26 2.32 0.00 21 L 9.44 4.70 0.00 1.74 1.57 0.97 1.27 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 22 D 8.45 5.33 0.00 2.89 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 23 H 8.80 4.20 0.00 3.34 3.76 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.97 4.39 0.00 3.32 3.36 0.00 6.10 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.59 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.46 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 1.15 0.00 0.00 0.94 0.00 0.00 27 E 8.33 3.96 0.00 2.25 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 2.36 2.37 0.00 28 Q 8.10 4.07 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 29 I 7.41 3.46 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.85 0.00 0.00 30 R 8.21 3.89 0.00 1.99 2.07 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 31 A 7.99 4.02 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 32 K 7.93 3.97 0.00 1.85 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.51 7.81 33 I 7.99 3.79 1.98 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 1.46 0.73 0.88 0.00 0.00 34 S 8.24 4.25 0.00 4.03 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 35 T 7.94 4.03 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 1.31 0.00 0.00 36 A 7.96 4.28 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.80 1.68 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 1.44 1.42 0.54 0.00 0.00 38 F 7.80 4.23 0.00 3.10 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 39 Q 8.48 4.26 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.62 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 40 G 7.87 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 0.00 0.00 0.00 41 A 8.30 4.37 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 42 V 7.57 4.64 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 1.03 0.00 0.00 0.88 0.00 0.00 43 T 8.82 4.76 4.23 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 1.25 0.00 0.00 44 T 7.85 5.07 4.23 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 1.21 0.00 0.00 45 I 8.91 4.70 1.93 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 1.05 0.75 -0.03 0.00 0.00 46 I 8.34 4.62 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.92 0.00 0.00 47 W 9.27 4.45 0.00 3.53 2.74 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 48 N 8.95 5.21 0.00 2.73 2.69 0.00 0.00 6.84 8.09 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 49 F 9.12 4.85 0.00 3.46 3.16 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 50 E 8.23 4.18 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 R 9.08 4.02 0.00 2.19 2.18 0.00 3.19 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 52 L 8.15 4.52 0.00 2.08 1.85 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.77 4.80 0.00 4.04 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 0.00 54 F 7.27 4.90 0.00 3.27 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 55 M 6.97 4.92 0.00 1.64 1.68 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 56 D 8.75 4.64 0.00 2.86 1.93 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 *58 S 8.82 4.41 0.00 4.05 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 59 G 8.19 3.60 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 60 V 7.63 3.52 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 1.02 0.00 0.00 0.75 0.00 0.00 61 G 7.95 3.51 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 0.00 0.00 0.00 62 L 7.83 3.94 0.00 1.78 1.77 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.38 2.71 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 0.37 0.00 0.00 0.33 0.00 0.00 64 L 8.11 4.02 0.00 1.67 1.65 0.91 1.22 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 65 G 8.38 3.60 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 66 R 7.81 4.33 0.00 2.39 2.29 0.00 3.62 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 67 M 8.18 4.08 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 68 R 7.93 3.88 0.00 2.04 1.96 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 69 E 8.26 3.91 0.00 2.09 1.69 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 2.35 2.52 0.00 70 L 8.27 3.78 0.00 1.81 1.72 0.98 0.75 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 71 E 8.43 3.94 0.00 2.07 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 2.31 2.46 0.00 72 A 7.83 4.16 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 73 V 6.82 4.18 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 0.72 0.00 0.00 0.95 0.00 0.00 74 A 7.97 3.69 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 75 G 8.22 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 0.00 0.00 0.00 76 R 9.38 4.86 0.00 1.85 1.76 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 77 T 8.93 5.20 4.31 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 1.34 0.00 0.00 78 I 9.09 4.55 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 1.00 0.00 0.00 79 L 9.08 5.01 0.00 1.68 1.60 -0.13 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.56 4.89 0.00 1.82 1.80 1.06 0.70 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 81 N 8.90 4.79 0.00 3.20 2.96 0.00 0.00 7.05 8.85 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 82 P 0.00 4.33 0.00 2.19 2.18 0.00 4.06 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 83 S 8.20 4.44 0.00 4.08 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 84 P 0.00 4.27 0.00 2.16 2.13 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 85 T 7.70 3.73 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 1.03 0.00 0.00 86 M 7.58 3.38 0.00 0.88 1.43 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.32 0.00 87 R 8.20 3.96 0.00 1.93 1.90 0.00 3.12 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 88 K 7.74 3.96 0.00 1.95 1.75 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 89 V 7.29 3.51 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.70 0.00 0.00 90 F 7.95 4.57 0.00 3.26 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 91 Q 8.58 4.04 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 92 F 8.20 4.13 0.00 3.11 3.25 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 93 S 7.91 4.18 0.00 3.93 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 94 G 7.85 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 0.00 0.00 0.00 95 L 8.47 4.75 0.00 1.86 1.55 0.76 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.47 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 0.00 0.00 0.00 97 P 0.00 4.28 0.00 1.07 1.75 0.00 4.11 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 1.96 2.04 0.00 98 W 8.73 4.59 0.00 3.40 3.05 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 99 M 8.02 5.10 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 100 M 9.05 4.86 0.00 2.08 2.13 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 2.55 2.59 0.00 101 D 8.60 5.34 0.00 2.60 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 0.00 102 A 8.26 4.46 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 0.00 103 T 8.50 4.14 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 1.27 0.00 0.00 104 E 8.71 3.91 0.00 2.05 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 2.37 2.37 0.00 105 E 8.13 3.92 0.00 2.06 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 2.51 2.39 0.00 106 E 8.35 3.93 0.00 2.25 1.99 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 2.33 2.33 0.00 107 A 8.03 4.00 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 0.00 108 I 8.09 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 0.90 0.00 0.00 109 D 8.16 4.38 0.00 2.82 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 0.00 110 R 7.86 4.01 0.00 1.82 2.12 0.00 3.25 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 111 V 7.43 3.72 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 112 R 7.83 4.22 0.00 2.06 1.85 0.00 3.40 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.