NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 G 3.7967 8.3549 109.7364 45.3389 0.0000 174.0541 5 D 4.3099 7.9824 120.2788 53.8097 42.6007 172.4764 6 K 5.2013 8.4932 121.3172 54.7769 35.2827 175.0342 7 I 4.8210 8.6971 115.7706 59.5256 41.8013 173.9939 8 T 4.8692 9.0011 119.6919 62.4488 70.4320 174.2710 9 V 4.6489 8.7866 125.3201 61.3734 35.1488 173.6043 10 H 5.4662 8.8359 124.6898 54.2618 31.1972 173.5861 11 F 5.0566 9.5060 122.4140 55.7260 41.4634 174.8152 12 I 4.5444 8.8055 126.3709 60.3826 38.0812 175.9415 13 N 4.8814 9.3484 127.1454 52.5802 39.6722 175.5553 14 R 4.2882 8.4065 116.0626 57.4087 29.7877 176.5785 15 D 4.5873 8.0833 117.7965 53.1543 39.6308 177.3692 16 G 3.9315 8.2650 107.7399 45.8463 0.0000 173.7398 17 E 4.4709 8.3319 119.5857 55.8324 31.4525 175.3508 18 T 5.0069 8.3625 118.9904 62.1680 70.4995 173.9362 19 L 4.7246 9.3021 126.8646 53.3534 44.0334 175.4363 20 T 5.1603 8.5228 120.6475 62.3105 70.7812 173.5891 21 T 4.6561 8.7912 119.2194 61.3155 71.8029 171.7329 22 K 5.1515 8.6560 122.2458 54.5478 34.6373 176.1580 23 G 4.3201 8.9708 109.9295 44.2715 0.0000 171.1850 24 K 4.9566 8.6766 121.2571 54.6688 34.0616 176.0871 25 I 3.9320 8.2096 127.8250 63.5118 37.4609 176.2576 26 G 4.0475 8.9368 114.2170 45.4281 0.0000 173.7600 27 D 4.5807 8.0378 119.9471 53.8650 41.6940 176.2640 28 S 4.9662 8.9621 117.7031 58.0224 65.4425 175.6310 29 L 4.2399 8.6523 122.7071 57.5938 41.1845 179.7641 30 L 4.2543 8.1242 120.2781 58.3783 42.1552 178.3313 31 D 4.4032 8.3042 118.8624 57.5211 40.7932 179.1364 32 V 3.6064 7.9155 118.5501 65.9595 31.5595 178.2885 33 V 3.1721 7.6640 117.8722 65.7749 31.3272 178.2005 34 V 3.5524 8.0269 118.1850 66.3214 31.2561 178.1497 35 Q 4.0885 8.3674 116.6431 58.2300 28.5678 177.3715 36 N 4.6646 7.7054 114.5334 51.6470 39.2872 174.2324 37 N 4.1033 7.9029 117.8047 54.3315 38.0318 174.4029 38 L 4.0366 7.6747 116.2144 54.5805 42.6109 178.2953 39 D 4.4720 8.2501 123.8845 52.7043 39.8361 174.0001 40 I 4.2314 7.2087 121.0368 58.4819 38.7735 174.8157 41 D 4.3751 8.7086 125.8496 55.7650 41.0682 176.6827 42 G 3.9320 8.9922 114.2028 45.4627 0.0000 172.7899 43 F 4.2415 7.4445 122.2587 58.6830 39.8613 175.0932 44 G 3.7089 8.3093 115.9173 46.1381 0.0000 175.1979 45 A 3.9422 8.1843 124.5648 55.1912 18.2039 179.7063 46 C 4.3442 7.9528 106.1476 58.0237 30.1716 173.0810 47 E 3.6785 8.6827 118.9441 57.9855 26.5825 174.6804 48 G 3.8661 8.5592 103.6904 46.8486 0.0000 174.7721 49 T 4.4313 7.8673 106.2043 60.2971 69.0853 173.6719 50 L 3.5967 8.0457 119.0731 56.8490 38.8474 174.6613 51 A 4.7159 8.0644 117.2006 51.5900 19.6633 175.7814 52 C 4.6791 7.7396 111.6955 58.7113 32.3074 173.6736 53 S 4.6795 8.4742 111.4280 58.2849 62.6482 175.5394 54 T 4.0737 7.6646 111.6173 63.4029 69.2379 175.2643 55 C 2.6533 7.5030 116.9750 57.5193 29.9187 172.2256 56 H 4.7359 7.6043 120.8833 57.4910 29.8264 174.5012 57 L 5.1017 9.4354 125.0379 53.0534 46.0306 175.3224 58 I 4.8930 8.6137 123.3811 60.0812 38.8463 175.2562 59 F 4.8978 8.9624 126.0010 55.4543 41.3729 175.8565 60 E 4.1690 8.1647 118.5731 56.2342 30.3192 178.1719 61 Q 4.0478 9.0173 123.8173 59.8690 28.8536 178.7911 62 H 4.3149 8.2882 114.2625 58.6104 28.8234 177.3542 63 I 3.7963 7.4219 122.0554 64.1888 37.2665 177.6104 64 F 3.8999 8.4988 122.0046 61.3802 38.9414 176.6530 65 E 4.1490 8.1669 114.5700 57.7498 29.6039 177.3890 66 K 4.3855 7.4414 118.0557 56.0034 32.7301 176.2979 67 L 4.1147 7.1463 119.2312 53.9056 42.1318 176.8502 68 E 3.9858 8.2455 119.5881 55.9037 30.0070 177.1904 69 A 3.9353 8.2714 124.7362 52.1992 18.9628 177.5810 70 I 3.8268 8.0679 123.2257 60.9111 38.9358 176.2108 71 T 4.3962 8.1248 117.2657 60.9408 71.4408 175.6404 72 D 4.3184 8.5048 121.8053 57.4749 40.4050 178.7537 73 E 3.8924 8.0749 119.3921 59.1958 29.6783 178.3514 74 E 3.9595 8.1608 119.3836 59.3400 29.6990 178.2679 75 N 4.3163 8.4213 117.3247 56.7802 38.7613 176.5395 76 D 4.3364 8.1293 119.6883 57.4739 41.1607 178.2051 77 M 4.1525 7.7436 117.4900 58.5336 32.2981 177.9571 78 L 3.9111 8.2637 120.8764 58.3121 41.9568 178.4913 79 D 4.3848 8.1134 118.1134 56.9533 40.8126 177.9143 80 L 4.3823 7.6647 116.5055 53.7178 42.4185 176.7077 81 A 4.2006 7.4287 123.3709 51.4980 19.0049 177.1122 82 Y 4.0101 8.6067 123.5539 58.8452 39.3322 175.9501 83 G 3.4729 7.7349 113.9229 46.0036 0.0000 173.3922 84 L 3.9702 7.9264 121.1467 55.0565 42.4566 175.9195 85 T 4.6497 8.3897 115.0955 59.6828 71.5523 173.5017 86 D 4.5925 8.4338 118.7064 55.2764 40.7849 176.9746 87 R 2.7717 7.9180 118.3677 55.3504 32.0150 174.7992 88 S 5.4549 8.0679 114.4149 57.6639 64.6190 173.7431 89 R 4.8837 9.2364 121.1040 54.4623 35.4082 174.6359 90 L 4.5136 9.3198 121.7014 54.1316 41.7092 178.5030 91 G 4.0055 9.1619 115.3685 48.7908 0.0000 174.4111 92 C 4.4312 8.1311 112.7411 60.0125 29.8311 174.0714 93 Q 4.3124 8.2381 118.6218 56.2608 29.2473 175.1503 94 I 4.4294 7.6630 120.4064 59.8396 38.9693 174.4242 95 C 5.2974 8.5381 124.7967 57.8178 30.2767 173.8549 96 L 4.3696 8.9933 123.7208 55.1452 42.6111 176.2922 97 T 5.1309 8.3158 112.0750 59.2397 72.4058 174.9255 98 K 4.0088 8.7575 120.0799 59.4098 32.7267 178.9705 99 A 4.0609 7.5871 122.1301 54.8413 18.4971 177.8988 100 M 4.3330 8.0871 114.3186 55.2022 32.5285 175.6271 101 D 4.4621 7.5708 119.8144 55.7918 41.5424 175.7901 102 N 4.3668 9.2508 123.2382 53.7913 36.7915 174.2871 103 M 4.5753 7.9553 116.6676 55.5984 33.4362 175.0983 104 T 4.9835 9.0050 116.3207 61.9064 71.6121 173.8495 105 V 4.4831 8.4665 119.1419 59.3208 35.5731 174.5965 106 R 4.9804 8.4781 122.5812 54.5916 33.5760 174.1677 107 V 4.6246 8.7380 126.8556 60.6632 32.5038 173.9914 108 P 4.5154 0.0000 0.0000 63.0906 31.4647 176.0285 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 *4 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.98 4.31 0.00 2.73 2.64 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 6 K 8.49 5.20 0.00 1.62 1.71 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 7 I 8.70 4.82 2.00 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 0.72 0.92 0.00 0.00 8 T 9.00 4.87 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 1.14 0.00 0.00 9 V 8.79 4.65 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 0.42 0.00 0.00 0.90 0.00 0.00 10 H 8.84 5.47 0.00 3.05 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.51 5.06 0.00 2.81 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 12 I 8.81 4.54 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 1.11 0.61 0.91 0.00 0.00 13 N 9.35 4.88 0.00 2.67 2.93 0.00 0.00 6.54 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 14 R 8.41 4.29 0.00 2.00 2.25 0.00 3.08 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 15 D 8.08 4.59 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.26 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 0.00 0.00 0.00 17 E 8.33 4.47 0.00 2.00 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 2.40 2.42 0.00 18 T 8.36 5.01 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 1.22 0.00 0.00 19 L 9.30 4.72 0.00 1.54 1.53 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.52 5.16 4.30 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 1.30 0.00 0.00 21 T 8.79 4.66 4.25 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 1.31 0.00 0.00 22 K 8.66 5.15 0.00 1.66 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.41 7.81 23 G 8.97 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 24 K 8.68 4.96 0.00 1.88 2.00 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.70 7.81 25 I 8.21 3.93 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 1.46 0.92 0.96 0.00 0.00 26 G 8.94 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 27 D 8.04 4.58 0.00 2.84 2.64 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 28 S 8.96 4.97 0.00 4.22 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 29 L 8.65 4.24 0.00 2.17 2.04 1.17 0.49 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 30 L 8.12 4.25 0.00 1.93 1.78 1.14 1.33 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 31 D 8.30 4.40 0.00 2.98 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 32 V 7.92 3.61 2.44 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 1.14 0.00 0.00 1.07 0.00 0.00 33 V 7.66 3.17 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 0.63 0.00 0.00 0.12 0.00 0.00 34 V 8.03 3.55 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 0.99 0.00 0.00 1.03 0.00 0.00 35 Q 8.37 4.09 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 36 N 7.71 4.66 0.00 2.75 2.78 0.00 0.00 7.03 8.45 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 37 N 7.90 4.10 0.00 2.78 2.80 0.00 0.00 7.13 7.94 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 38 L 7.67 4.04 0.00 1.31 1.26 0.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.25 4.47 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 40 I 7.21 4.23 1.69 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.97 0.00 0.00 41 D 8.71 4.38 0.00 2.62 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 42 G 8.99 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 0.00 0.00 0.00 43 F 7.44 4.24 0.00 3.13 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 44 G 8.31 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 45 A 8.18 3.94 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 46 C 7.95 4.34 0.00 3.08 3.03 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 47 E 8.68 3.68 0.00 2.18 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 0.00 2.24 2.38 0.00 48 G 8.56 3.87 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 0.00 0.00 0.00 49 T 7.87 4.43 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 1.29 0.00 0.00 50 L 8.05 3.60 0.00 1.82 1.80 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.06 4.72 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 52 C 7.74 4.68 0.00 3.01 2.86 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 53 S 8.47 4.68 0.00 3.99 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 54 T 7.66 4.07 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 1.18 0.00 0.00 55 C 7.50 2.65 0.00 2.75 2.69 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 56 H 7.60 4.74 0.00 3.26 3.35 0.00 5.71 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 57 L 9.44 5.10 0.00 1.61 1.14 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.61 4.89 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.88 0.00 0.00 59 F 8.96 4.90 0.00 3.17 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 60 E 8.16 4.17 0.00 2.11 1.97 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 2.36 2.45 0.00 61 Q 9.02 4.05 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 62 H 8.29 4.31 0.00 3.36 3.46 0.00 5.78 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 63 I 7.42 3.80 2.11 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 1.03 0.00 0.00 64 F 8.50 3.90 0.00 3.20 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 65 E 8.17 4.15 0.00 2.21 2.16 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 2.66 2.37 0.00 66 K 7.44 4.39 0.00 1.71 1.79 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.35 7.81 67 L 7.15 4.11 0.00 1.22 1.29 0.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.25 3.99 0.00 1.88 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 0.00 2.25 2.21 0.00 69 A 8.27 3.94 1.19 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 0.00 0.00 70 I 8.07 3.83 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 1.46 1.02 0.89 0.00 0.00 71 T 8.12 4.40 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 72 D 8.50 4.32 0.00 2.70 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 73 E 8.07 3.89 0.00 2.03 1.94 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 2.37 2.36 0.00 74 E 8.16 3.96 0.00 2.09 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 2.32 2.33 0.00 75 N 8.42 4.32 0.00 2.98 2.91 0.00 0.00 7.27 9.22 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 76 D 8.13 4.34 0.00 2.68 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 77 M 7.74 4.15 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 78 L 8.26 3.91 0.00 1.88 1.87 0.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.11 4.38 0.00 2.89 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 80 L 7.66 4.38 0.00 1.71 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.43 4.20 1.17 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 0.00 0.00 82 Y 8.61 4.01 0.00 2.97 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 83 G 7.73 3.47 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 0.00 0.00 0.00 0.00 84 L 7.93 3.97 0.00 1.69 1.53 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.39 4.65 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 1.26 0.00 0.00 86 D 8.43 4.59 0.00 2.58 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 87 R 7.92 2.77 0.00 1.52 1.73 0.00 3.24 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.26 0.00 88 S 8.07 5.45 0.00 3.92 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 89 R 9.24 4.88 0.00 1.91 1.95 0.00 3.39 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.46 0.00 90 L 9.32 4.51 0.00 1.74 1.64 0.92 1.27 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 91 G 9.16 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 0.00 0.00 0.00 92 C 8.13 4.43 0.00 3.14 3.11 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 93 Q 8.24 4.31 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 94 I 7.66 4.43 2.05 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.93 0.00 0.00 95 C 8.54 5.30 0.00 2.85 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 96 L 8.99 4.37 0.00 1.72 1.61 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.32 5.13 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 1.25 0.00 0.00 98 K 8.76 4.01 0.00 1.96 2.12 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.45 7.81 99 A 7.59 4.06 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 0.00 100 M 8.09 4.33 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 101 D 7.57 4.46 0.00 2.59 2.60 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 0.00 102 N 9.25 4.37 0.00 2.91 3.01 0.00 0.00 7.10 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 0.00 103 M 7.96 4.58 0.00 2.19 2.27 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 2.44 2.58 0.00 104 T 9.00 4.98 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 1.16 0.00 0.00 105 V 8.47 4.48 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 -0.07 0.00 0.00 0.14 0.00 0.00 106 R 8.48 4.98 0.00 1.78 1.65 0.00 3.07 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 107 V 8.74 4.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.03 0.00 0.00 108 P 0.00 4.52 0.00 2.38 2.03 0.00 3.87 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 2.06 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.