NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0966 8.1849 120.5683 54.2715 43.6245 177.4046 3 W 4.8205 7.0518 116.7422 57.1973 29.2631 174.4290 4 K 4.7150 10.1456 121.8661 55.8781 34.0487 175.9251 5 K 4.7828 8.0550 117.8120 54.5036 35.5749 175.8513 6 T 4.2286 8.3281 112.0861 61.2724 69.9855 173.7700 7 F 4.7677 7.1334 116.4662 55.2116 40.5417 173.8000 8 T 4.5855 7.9909 110.9792 59.1589 72.8237 174.8773 9 L 3.9637 8.5022 122.9301 58.0262 41.8356 179.4768 10 E 3.9204 8.1212 118.8539 59.2843 29.6067 178.4081 11 N 4.4308 8.1430 116.5711 55.9213 38.7591 177.4924 12 L 3.9519 7.9945 120.6049 57.6421 41.4630 179.1118 13 N 4.4082 8.1667 115.8810 55.9496 38.6615 177.0083 14 Q 4.0700 7.8987 121.0061 58.8568 28.8889 177.8377 15 L 3.9431 7.8315 120.8321 58.1328 42.2653 178.0380 16 C 4.3641 7.6106 113.4338 59.5324 28.5943 174.2185 17 S 4.2450 7.0492 116.0201 59.0919 63.2110 173.2012 18 N 4.2079 8.7571 116.3046 54.2119 35.9193 173.7531 19 S 4.5811 7.7726 110.9308 55.8662 66.6784 174.1461 20 A 4.0080 8.5420 120.5852 55.1687 17.8231 179.7966 21 V 3.5139 7.5702 117.0462 66.3945 31.5854 178.5353 22 S 4.1346 7.9691 113.4363 61.5705 62.7895 175.4386 23 H 4.1026 8.1848 121.1257 58.8001 29.6089 176.2108 24 L 4.4013 7.8358 117.8920 53.9510 41.5813 177.1303 25 G 3.8830 7.8941 106.7557 46.2653 0.0000 173.9739 26 I 4.3502 7.6368 120.1097 60.7391 38.0609 175.3418 27 E 4.7619 8.9584 126.3239 54.2977 33.1838 174.3336 28 I 4.1571 9.0975 128.8777 61.7340 36.8260 175.8335 29 S 4.4775 8.7183 122.6031 59.7444 64.3179 173.9676 30 A 4.7059 7.6945 121.1737 51.7480 21.6366 174.2923 31 F 4.5442 7.9979 113.0681 55.6908 40.6845 174.2809 32 G 3.4415 6.9714 110.9291 44.1345 0.0000 172.4274 33 E 4.3347 8.8192 117.9927 58.9049 29.7663 176.9733 34 D 4.5515 7.6456 117.8908 51.6495 40.0785 174.5381 35 W 5.5091 7.9966 113.8150 57.3778 31.3532 172.6647 36 I 5.2406 9.0221 120.5989 60.0104 41.4626 173.3880 37 E 5.9800 10.3606 126.7939 53.8286 33.8498 174.6088 38 A 5.2860 8.4323 121.4096 50.9330 23.2558 175.5820 39 T 5.4501 8.8969 111.6656 58.4629 72.2605 171.3946 *41 P 4.3536 0.0000 0.0000 63.1616 32.1435 176.6138 42 V 4.1738 8.0675 120.5931 61.1565 30.8585 174.4163 43 D 4.6963 8.4122 124.9679 51.7987 42.1060 175.7551 44 H 4.0757 9.1347 113.2567 59.2253 28.1954 176.5637 45 R 3.9409 8.0456 118.6155 57.9981 30.7217 176.7021 46 T 4.4480 7.7860 107.8584 60.4307 68.4941 172.5766 *48 Q 4.2193 7.4989 120.7999 55.3261 30.2539 175.1717 49 P 4.2836 0.0000 0.0000 65.0932 31.1768 176.8233 50 F 4.8015 7.2092 113.3948 56.6959 38.1150 176.8019 51 G 3.9415 7.9222 109.2270 46.0511 0.0000 174.1591 52 V 4.6321 6.8520 111.2165 58.5753 35.1084 175.2165 53 L 3.9051 8.8234 125.0638 55.9915 42.8567 176.2389 54 H 4.1092 9.2466 126.9920 55.8016 30.1578 176.2692 55 G 3.5472 8.9117 113.5525 47.7645 0.0000 175.3907 56 G 3.6923 8.2146 107.5262 47.7367 0.0000 175.9273 57 V 3.6405 7.8464 120.1151 65.6918 31.4934 178.1478 58 S 4.1468 7.9033 114.8042 61.5726 62.6306 176.8001 59 V 3.6159 7.6335 120.8366 65.7559 31.2082 177.9511 60 A 4.0142 7.8802 120.6476 54.8888 18.1951 179.3944 61 L 3.8335 7.9590 118.6370 58.1854 42.2107 178.9799 62 A 3.9954 8.1409 120.8274 55.3385 18.3602 179.3124 63 E 3.9035 8.6578 118.1108 59.3815 29.6056 179.1672 64 T 3.7507 7.7400 116.0721 66.7346 68.6130 176.5651 65 I 3.7338 7.9296 120.5834 63.8269 37.9653 178.2268 66 G 3.2947 8.1551 106.8965 47.5889 0.0000 176.0618 67 S 3.9590 7.9067 117.5534 60.9931 62.8511 176.4380 68 L 3.6838 7.6381 122.7939 57.9744 41.6129 178.6708 69 A 3.8332 7.3332 119.3084 55.1821 18.4609 179.4742 70 G 3.9156 7.0780 103.9613 48.0824 0.0000 175.7613 71 S 4.1457 7.9572 115.5090 61.1060 62.3558 175.8961 72 L 4.2594 7.9778 120.3872 56.4515 41.0728 177.8024 73 C 4.9397 7.8377 116.0437 58.5436 28.8016 172.9440 74 L 4.8825 7.0581 120.6920 52.4614 43.9210 176.3288 75 E 4.3203 8.4456 119.5016 55.4971 30.5917 176.0601 76 E 3.9190 8.3998 118.8751 57.9665 30.1594 178.0866 77 G 4.0172 9.1269 109.6607 45.0190 0.0000 172.8770 78 K 5.1406 7.3372 117.5167 55.1121 35.6097 175.0804 79 T 4.6988 8.7000 116.2974 61.3828 71.5880 172.2795 80 V 5.1001 8.2827 115.2516 59.4408 35.2970 175.7444 81 V 4.3626 8.5505 122.1108 60.7680 34.6439 174.9327 82 G 3.8644 8.8884 115.6618 47.0250 0.0000 172.6620 83 L 4.6730 9.0305 126.6896 56.5107 42.6991 176.5200 84 D 4.7170 7.7661 115.5591 52.8887 42.5123 173.5921 85 I 5.1770 8.0631 118.3657 59.9179 41.2160 173.1226 86 N 5.2723 8.9442 123.8404 51.6995 41.1743 172.7532 87 A 5.0161 8.1773 118.5032 51.2741 22.3675 175.2836 88 N 4.9041 9.0526 117.8103 51.7108 41.9063 173.4324 89 H 4.9077 8.7201 120.8263 54.9921 29.2227 174.8606 90 L 4.5437 8.8783 124.9115 56.5657 42.6064 177.5704 91 R 4.6400 7.5848 111.8532 54.0759 31.9021 172.7766 92 P 4.4995 0.0000 0.0000 62.6255 32.4288 175.7980 93 V 4.5090 8.1026 118.9250 61.4034 34.2958 175.9989 94 R 4.7303 8.3847 118.9893 55.6322 31.1387 174.3548 95 S 4.5040 8.0212 111.1470 58.8029 66.1422 176.2018 96 G 4.1445 8.9154 107.5614 45.9803 0.0000 172.2683 97 K 5.0139 8.3592 119.6029 55.2231 36.0540 176.4768 98 V 4.6475 8.2898 113.9927 60.0966 35.0472 174.6434 99 T 5.0442 8.7838 119.5138 61.8093 71.6562 172.7785 100 A 5.0377 9.1551 129.1680 50.3064 21.4785 175.1794 101 R 5.1540 9.0321 123.8805 54.7272 32.3550 174.5339 102 A 5.5308 9.2551 129.1638 50.8776 21.2140 175.8014 103 T 5.2455 9.4028 112.4673 59.1730 72.6262 171.6585 104 P 3.4853 0.0000 0.0000 62.9422 31.6496 175.6605 105 I 4.1332 7.9848 123.5916 62.9071 38.8844 176.0118 106 N 4.5610 7.3754 118.3665 52.4560 42.4093 173.0457 107 L 4.7917 8.6278 126.3618 53.3089 43.4732 175.9474 108 G 4.0991 8.5832 114.3982 43.4915 0.0000 172.3985 109 R 4.0794 8.6291 117.3005 58.7699 30.2885 177.7855 110 N 4.9254 8.1361 113.0911 53.1571 40.8800 174.2058 111 I 5.2111 7.4899 117.8793 59.5031 41.6594 174.2948 112 Q 5.0825 9.2080 124.4315 54.0640 32.5875 174.5904 113 V 4.9020 8.8890 122.6107 60.9927 34.4021 174.2512 114 W 5.1507 9.5681 127.7503 54.9336 32.6589 174.1773 115 Q 5.0397 9.3425 124.7284 54.6363 30.9696 174.3580 116 I 5.0663 9.0569 126.7325 59.9301 40.7577 173.8134 117 D 5.3314 8.8566 127.5314 52.5341 43.3945 175.5773 118 I 4.9567 8.8486 124.4161 59.6741 39.7129 175.0213 119 R 5.2682 8.8678 125.4067 54.4298 34.2960 175.7834 120 T 4.6978 8.6953 112.6706 60.4245 70.3587 175.4492 121 E 4.0094 8.6321 118.2975 58.5075 29.6091 177.8315 122 E 4.5158 8.0639 117.9679 55.7675 29.6452 175.4031 123 N 4.2357 8.2141 114.4232 54.0552 36.8593 174.0473 124 K 4.2757 7.7836 118.3130 55.0255 33.0828 176.1216 125 L 4.4871 8.5105 126.1050 55.3260 42.2996 175.7640 126 C 4.7262 9.0098 121.3712 58.8974 32.1274 173.1413 127 C 5.2404 7.7748 118.7596 58.2476 34.9236 172.7439 128 V 4.9218 8.6722 118.4188 59.7109 34.6965 174.6770 129 S 5.1762 9.2583 119.0196 56.6008 66.7480 172.3904 130 R 5.1399 8.8308 123.6338 54.5015 33.4335 173.4194 131 L 5.2453 9.1978 128.1619 53.5938 45.2992 174.8112 132 T 5.1328 8.9431 122.6604 61.9069 70.8865 173.2966 133 L 5.2727 9.1697 126.5873 52.9519 45.6161 175.2543 134 S 5.0223 8.9203 117.4302 56.7769 64.4477 172.9556 135 V 4.4943 8.7746 128.1910 62.2870 32.3676 175.0310 136 I 4.2869 9.1416 129.8872 59.9139 38.9219 174.4705 137 N 5.1264 8.8206 127.5495 51.8357 39.3189 174.4660 138 L 4.3384 8.2350 125.4716 55.7497 40.4890 176.6893 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 L 8.18 4.10 0.00 0.47 1.21 0.54 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.05 4.82 0.00 3.55 3.38 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 4 K 10.15 4.72 0.00 1.86 1.87 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.62 7.81 5 K 8.05 4.78 0.00 1.83 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.65 7.81 6 T 8.33 4.23 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 1.18 0.00 0.00 7 F 7.13 4.77 0.00 2.84 2.83 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 8 T 7.99 4.59 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 1.14 0.00 0.00 9 L 8.50 3.96 0.00 1.75 1.78 1.13 0.83 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 10 E 8.12 3.92 0.00 2.03 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 2.36 2.39 0.00 11 N 8.14 4.43 0.00 2.94 2.81 0.00 0.00 7.00 6.82 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 12 L 7.99 3.95 0.00 1.72 1.56 0.41 0.20 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 13 N 8.17 4.41 0.00 2.75 2.85 0.00 0.00 6.99 7.32 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 14 Q 7.90 4.07 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 15 L 7.83 3.94 0.00 1.68 1.88 0.88 0.79 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 16 C 7.61 4.36 0.00 2.97 2.92 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 17 S 7.05 4.24 0.00 3.92 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 18 N 8.76 4.21 0.00 2.88 2.93 0.00 0.00 6.71 7.57 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 19 S 7.77 4.58 0.00 3.95 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 20 A 8.54 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 21 V 7.57 3.51 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 1.01 0.00 0.00 0.89 0.00 0.00 22 S 7.97 4.13 0.00 4.08 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 23 H 8.18 4.10 0.00 3.26 3.56 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.84 4.40 0.00 1.64 1.63 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.89 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 26 I 7.64 4.35 2.00 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 1.10 0.55 0.94 0.00 0.00 27 E 8.96 4.76 0.00 1.99 1.73 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 2.20 2.48 0.00 28 I 9.10 4.16 1.82 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 1.40 0.81 0.83 0.00 0.00 29 S 8.72 4.48 0.00 4.06 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 30 A 7.69 4.71 1.50 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 0.00 0.00 0.00 31 F 8.00 4.54 0.00 3.07 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 G 6.97 3.44 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 0.00 33 E 8.82 4.33 0.00 2.01 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 0.00 2.35 2.32 0.00 34 D 7.65 4.55 0.00 2.63 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 35 W 8.00 5.51 0.00 3.63 3.33 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 36 I 9.02 5.24 1.87 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.71 0.97 0.00 0.00 37 E 10.36 5.98 0.00 2.13 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 2.39 2.68 0.00 38 A 8.43 5.29 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 39 T 8.90 5.45 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 1.25 0.00 0.00 *41 P 0.00 4.35 0.00 2.38 2.12 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 42 V 8.07 4.17 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 0.78 0.00 0.00 0.92 0.00 0.00 43 D 8.41 4.70 0.00 2.95 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 44 H 9.13 4.08 0.00 3.27 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.05 3.94 0.00 1.79 1.87 0.00 3.12 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.00 46 T 7.79 4.45 4.20 0.00 0.00 0.00 0.00 0.00 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 *48 Q 7.50 4.22 0.00 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 49 P 0.00 4.28 0.00 2.27 2.23 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 50 F 7.21 4.80 0.00 3.19 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 51 G 7.92 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 52 V 6.85 4.63 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 0.79 0.00 0.00 0.92 0.00 0.00 53 L 8.82 3.91 0.00 1.56 1.56 0.96 1.23 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 54 H 9.25 4.11 0.00 3.21 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.91 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 56 G 8.21 3.69 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 0.00 0.00 0.00 57 V 7.85 3.64 2.20 0.00 0.00 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 0.79 0.00 0.00 58 S 7.90 4.15 0.00 4.19 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 59 V 7.63 3.62 2.27 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 1.06 0.00 0.00 1.05 0.00 0.00 60 A 7.88 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 61 L 7.96 3.83 0.00 1.78 1.90 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.14 4.00 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 63 E 8.66 3.90 0.00 2.09 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 2.28 2.33 0.00 64 T 7.74 3.75 4.39 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 1.15 0.00 0.00 65 I 7.93 3.73 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 1.01 0.00 0.00 66 G 8.16 3.29 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 0.00 0.00 0.00 0.00 67 S 7.91 3.96 0.00 3.81 3.83 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 68 L 7.64 3.68 0.00 1.68 1.58 0.70 1.05 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 69 A 7.33 3.83 0.44 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 70 G 7.08 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 71 S 7.96 4.15 0.00 3.86 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 72 L 7.98 4.26 0.00 1.89 1.57 -0.66 0.52 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 73 C 7.84 4.94 0.00 3.42 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 74 L 7.06 4.88 0.00 1.73 1.59 0.99 0.95 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 75 E 8.45 4.32 0.00 2.18 2.13 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 2.39 2.35 0.00 76 E 8.40 3.92 0.00 1.99 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 2.34 2.28 0.00 77 G 9.13 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 78 K 7.34 5.14 0.00 1.79 1.71 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.36 7.81 79 T 8.70 4.70 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 80 V 8.28 5.10 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 0.82 0.00 0.00 0.95 0.00 0.00 81 V 8.55 4.36 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 1.05 0.00 0.00 0.94 0.00 0.00 82 G 8.89 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 83 L 9.03 4.67 0.00 1.73 1.74 0.94 0.89 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 84 D 7.77 4.72 0.00 2.77 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 85 I 8.06 5.18 1.89 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 1.42 0.96 1.00 0.00 0.00 86 N 8.94 5.27 0.00 2.84 2.84 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 87 A 8.18 5.02 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 88 N 9.05 4.90 0.00 2.67 2.69 0.00 0.00 7.11 8.17 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 89 H 8.72 4.91 0.00 3.05 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.88 4.54 0.00 1.65 1.73 0.93 0.82 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 R 7.58 4.64 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 92 P 0.00 4.50 0.00 2.23 2.13 0.00 3.72 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 2.00 1.98 0.00 93 V 8.10 4.51 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 1.05 0.00 0.00 0.93 0.00 0.00 94 R 8.38 4.73 0.00 1.97 1.96 0.00 3.15 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 95 S 8.02 4.50 0.00 3.95 3.83 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 96 G 8.92 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 97 K 8.36 5.01 0.00 1.72 1.75 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.44 7.81 98 V 8.29 4.65 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 0.87 0.00 0.00 0.93 0.00 0.00 99 T 8.78 5.04 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 1.29 0.00 0.00 100 A 9.16 5.04 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 0.00 101 R 9.03 5.15 0.00 2.02 1.80 0.00 2.89 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 102 A 9.26 5.53 1.31 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 0.00 0.00 0.00 103 T 9.40 5.25 4.34 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 1.42 0.00 0.00 104 P 0.00 3.49 0.00 1.49 0.74 0.00 3.77 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 105 I 7.98 4.13 1.92 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 1.07 0.55 0.85 0.00 0.00 106 N 7.38 4.56 0.00 2.64 2.52 0.00 0.00 6.96 6.66 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 0.00 107 L 8.63 4.79 0.00 1.43 1.55 0.77 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 0.00 108 G 8.58 4.10 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 0.00 0.00 0.00 109 R 8.63 4.08 0.00 1.82 2.01 0.00 3.17 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 N 8.14 4.93 0.00 2.73 2.83 0.00 0.00 6.86 7.77 0.00 0.00 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 I 7.49 5.21 1.88 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 1.36 1.11 0.98 0.00 0.00 112 Q 9.21 5.08 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 113 V 8.89 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 114 W 9.57 5.15 0.00 3.28 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 0.00 115 Q 9.34 5.04 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 9.06 5.07 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.96 0.00 0.00 117 D 8.86 5.33 0.00 2.63 2.57 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 0.00 118 I 8.85 4.96 1.89 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 1.25 0.87 0.92 0.00 0.00 119 R 8.87 5.27 0.00 1.70 1.76 0.00 3.07 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 T 8.70 4.70 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 0.00 121 E 8.63 4.01 0.00 2.17 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 0.00 2.36 2.33 0.00 122 E 8.06 4.52 0.00 1.97 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 2.24 2.25 0.00 123 N 8.21 4.24 0.00 2.82 2.88 0.00 0.00 6.87 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 0.00 124 K 7.78 4.28 0.00 1.84 1.72 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 125 L 8.51 4.49 0.00 1.58 1.59 0.98 0.93 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 0.00 126 C 9.01 4.73 0.00 3.19 3.15 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 0.00 0.00 0.00 0.00 127 C 7.77 5.24 0.00 3.05 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 0.00 128 V 8.67 4.92 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 0.69 0.00 0.00 0.94 0.00 0.00 129 S 9.26 5.18 0.00 3.86 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 0.00 130 R 8.83 5.14 0.00 1.93 1.82 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 131 L 9.20 5.25 0.00 1.83 1.60 1.01 0.83 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 0.00 132 T 8.94 5.13 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 1.25 0.00 0.00 133 L 9.17 5.27 0.00 1.67 1.60 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.92 5.02 0.00 3.90 3.73 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 0.00 135 V 8.77 4.49 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 0.87 0.00 0.00 0.99 0.00 0.00 136 I 9.14 4.29 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 1.13 1.06 0.92 0.00 0.00 137 N 8.82 5.13 0.00 2.71 2.76 0.00 0.00 7.22 7.78 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 0.00 138 L 8.24 4.34 0.00 1.72 1.63 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.