NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4070 8.3033 120.1777 56.6689 29.8401 173.8604 3 T 4.7648 7.6389 117.0816 61.4639 72.2709 173.3445 4 Y 4.7258 9.1440 124.0679 55.8148 42.9569 172.1954 5 P 4.7150 0.0000 0.0000 63.3911 32.6011 176.4305 6 I 4.9832 8.4580 121.7000 59.2151 39.7868 174.7036 7 T 5.9743 8.6457 115.2604 59.1344 71.9214 173.7133 8 V 4.3997 8.6662 115.1725 61.2852 35.7281 176.6099 9 G 3.5728 9.3504 112.6745 46.3658 0.0000 173.3423 10 G 3.5154 8.0822 113.4945 45.1315 0.0000 172.9413 11 V 4.2872 7.6209 122.6976 62.0775 33.0947 174.5474 12 T 5.3011 8.5655 124.0427 62.0590 71.0573 174.0675 13 R 4.3560 8.9179 123.3868 54.8416 34.5742 174.4266 14 H 4.6572 8.7391 121.0835 54.7828 28.7823 174.1397 15 V 3.9496 8.3661 124.3026 61.1653 32.7722 173.5705 16 P 4.5821 0.0000 0.0000 62.9376 32.5451 175.0690 17 L 4.7440 8.1419 124.0773 53.7299 42.9044 176.1991 18 I 4.4410 8.3161 116.4119 59.0306 39.8382 174.1649 19 E 5.3958 8.4627 122.6362 52.1107 28.6516 173.9108 20 P 4.4806 0.0000 0.0000 64.4625 32.1536 177.6336 21 L 4.8453 7.2763 115.1227 51.5523 45.2040 174.1022 22 P 4.5744 0.0000 0.0000 64.0848 31.6124 177.2166 23 G 3.8572 9.5189 111.3488 45.5180 0.0000 173.4922 24 R 4.4205 8.0124 118.7210 54.4095 32.1235 174.1380 25 R 5.5455 8.5477 122.1306 53.5614 33.0153 175.5270 26 I 4.8173 7.9131 114.9349 58.2435 41.7132 172.5015 27 P 4.4897 0.0000 0.0000 62.3895 32.1324 176.4058 28 L 4.2466 7.9836 127.0514 53.4535 42.0031 175.8981 29 V 3.6818 7.9744 126.5269 61.9450 31.4296 175.1581 30 E 4.3732 8.3487 124.9566 54.4051 31.9317 175.4627 31 F 5.0548 8.3981 123.7366 56.4030 41.1574 174.2894 *35 P 4.3307 0.0000 0.0000 61.8039 32.4753 176.2246 36 E 4.0268 8.6179 121.3323 60.8080 29.2980 178.5565 37 F 4.3839 8.2644 119.6621 61.4086 39.3223 177.2085 38 T 3.1525 7.6877 115.1257 66.0798 68.3150 176.7572 39 R 3.7578 10.6400 120.2223 59.1470 30.1668 178.1123 40 A 4.0056 8.0936 120.6214 55.2673 18.2533 179.4648 41 A 3.6113 7.4899 118.5969 55.4541 18.1993 179.0262 42 A 3.6870 9.0083 118.6052 56.1809 18.0980 179.5598 43 E 3.8226 8.9485 117.1151 59.2611 29.6811 179.5934 44 A 4.0577 7.4632 119.9812 55.0983 18.8007 179.3756 45 L 3.9839 8.1240 117.8222 58.1771 41.4381 179.0917 46 R 3.6954 7.6107 117.4148 59.3149 29.7878 175.9950 47 P 4.1875 0.0000 0.0000 64.3065 31.9678 176.9742 48 L 4.2145 7.6816 117.8024 55.7687 42.2855 176.9259 49 V 3.6069 8.5333 119.5123 62.2970 31.7258 175.6959 50 P 4.6347 0.0000 0.0000 65.3146 29.7168 177.3277 51 K 4.6190 6.9301 122.4516 57.0139 30.8028 177.7109 52 E 4.6321 8.9432 110.7475 56.1347 34.1309 176.4193 53 A 4.2624 7.8575 122.3986 53.5510 19.0778 177.1599 54 E 4.6469 8.6161 120.1519 57.3732 32.5960 176.8081 55 I 4.8261 7.4392 118.2634 59.5648 41.8416 173.8436 56 L 4.9235 9.0876 129.5547 54.0114 43.6323 175.6494 57 F 5.0557 10.0162 126.2179 56.8945 41.7600 173.6255 58 T 5.0396 8.1520 119.8485 59.3395 71.2937 172.2432 59 T 4.8273 7.9979 119.5589 60.9707 71.6304 174.0303 60 E 3.9951 8.5873 125.7015 57.5004 30.0087 175.7534 61 T 4.4705 8.6379 120.9598 65.5271 70.8606 176.4396 62 S 4.3136 8.3326 115.3370 61.4916 63.0304 174.1907 63 P 4.5981 0.0000 0.0000 64.2006 31.6938 178.3983 64 I 3.6498 8.3663 121.2304 63.6324 36.9362 175.8658 65 P 4.1632 0.0000 0.0000 66.2405 30.2395 177.4705 66 L 3.5479 7.9856 120.1651 58.0034 41.8287 179.1544 67 T 3.7416 7.6555 115.2442 66.6853 68.1992 176.3951 68 H 3.5562 8.4631 120.6931 58.5408 29.5175 177.8652 69 V 3.6448 7.3229 122.8742 65.3603 31.4632 178.7617 70 L 3.9894 7.3006 120.8814 58.8800 40.8641 180.4052 71 A 4.3432 7.9422 121.4697 54.4641 19.7549 179.0549 72 E 4.1371 7.3262 118.5549 54.3513 26.9898 172.8508 *77 P 4.5333 0.0000 0.0000 62.8692 33.8555 175.4063 78 Y 5.3644 8.0094 115.4840 56.1471 40.9136 174.4751 79 V 3.4890 8.7793 113.0958 59.1817 35.9967 174.9232 80 V 5.1896 6.8998 121.8157 59.9482 33.7597 175.1194 81 A 4.6144 8.3998 129.5046 52.0092 20.1062 176.0222 82 R 4.9083 9.2487 118.4086 54.6614 33.6667 177.0990 83 R 5.3743 8.8449 117.5603 55.5821 30.5300 176.6235 84 R 4.3154 7.1434 115.4896 54.3965 33.9766 174.8202 85 R 2.6320 7.0679 117.0548 55.6205 29.9893 175.9749 86 R 4.3038 7.9108 121.2360 53.6826 31.6430 173.6193 87 P 3.8697 0.0000 0.0000 64.4578 31.6467 175.4468 88 Y 3.7248 7.9127 117.1097 59.2040 35.2370 169.2735 89 M 4.2756 7.5714 118.8010 55.0260 33.0756 175.3610 90 E 4.1925 9.2528 125.9103 56.8653 30.8263 176.9482 91 D 4.4148 7.5956 118.6617 52.9951 38.3100 172.1730 92 P 4.9726 0.0000 0.0000 61.0892 33.9971 175.3603 93 I 4.0430 8.8679 122.8157 61.2506 38.1864 174.9455 94 I 4.4535 8.1858 127.9591 59.3722 39.1523 174.9731 95 Q 4.4323 8.3256 127.0619 54.5029 32.5821 174.3561 96 E 4.4018 8.7439 125.4143 55.6435 30.8772 176.9820 *105 G 3.6952 8.0856 108.7371 45.7964 0.0000 170.5870 106 E 4.1771 8.2127 121.0379 56.3020 29.8870 176.6235 107 V 4.5284 8.3704 124.2722 60.8237 34.9737 173.9277 108 L 5.2347 8.6139 128.6610 54.4242 42.9619 175.7284 109 W 4.9915 9.8608 122.0757 55.0598 32.3689 173.7935 110 L 5.0307 8.9614 128.3509 53.3116 43.5635 175.5669 111 D 4.7830 9.0459 125.5549 53.9031 42.3053 176.3698 112 R 3.9500 8.1813 124.5069 60.0754 29.8421 179.0997 113 R 4.0624 7.4535 115.3693 59.4312 30.1932 178.8387 114 F 4.7729 8.0484 116.8519 60.4463 38.9569 176.9745 115 A 4.3565 8.7410 118.3812 53.4810 18.1296 178.2649 116 E 4.3341 7.9496 116.1035 57.9908 30.3407 178.0841 117 K 4.1952 7.7847 117.0304 56.7225 32.4258 176.5959 118 L 4.4661 6.9675 119.8862 53.1948 43.2176 175.9898 *121 Q 4.3428 8.2536 120.8497 55.8423 31.0148 174.5819 122 R 4.6155 8.8025 121.6979 55.7369 31.2718 175.6325 123 V 5.3803 10.0699 124.4327 60.2703 34.5317 174.3562 124 V 4.7270 8.2358 125.9659 61.0527 34.1470 174.3050 125 L 5.6082 8.5359 127.5965 54.0017 43.2821 175.8618 126 V 4.8603 8.3142 121.8972 61.2868 34.3449 174.0379 127 S 4.4175 8.8395 121.2882 56.3605 65.6814 172.9015 128 D 4.6497 9.0241 122.1171 56.4324 40.9067 175.6769 129 V 4.8865 7.5424 117.8820 61.1433 35.8943 174.2193 130 V 4.1800 8.5967 122.4974 61.4591 34.3249 173.5052 131 A 4.5261 8.8678 126.8302 54.3184 21.0606 178.2496 132 S 4.1353 8.2063 108.5402 59.9791 64.0384 176.3255 *135 T 4.2977 8.1293 117.1363 63.0934 71.0308 176.3997 136 M 4.2424 8.0584 119.7435 58.1726 32.5128 178.0829 137 R 4.0308 8.1403 116.6641 59.2540 30.2665 177.6834 138 A 4.1586 8.1289 120.3249 55.5725 18.6838 178.6565 139 M 5.0861 7.7022 115.8025 55.5038 31.1198 177.6468 *141 K 4.3352 8.0549 119.5260 56.8630 34.3309 178.4040 142 M 4.0911 7.4848 116.8308 57.0277 32.5292 178.5954 143 V 3.4764 7.1457 119.6608 65.2660 32.0054 178.0692 144 L 4.4888 7.4586 117.7658 54.3768 41.4508 177.3170 145 R 4.4985 7.6730 115.9548 56.9794 35.4139 174.6414 146 A 4.3608 7.3879 119.3220 51.7042 19.0648 176.9686 147 G 3.7417 8.1903 103.6840 46.7169 0.0000 173.2697 148 G 4.2414 7.9497 106.5631 44.5122 0.0000 172.2589 149 H 5.0463 9.4925 115.5091 54.4053 33.5460 173.7704 150 V 5.5933 7.9286 120.4977 60.6459 34.8557 174.7407 *153 R 4.2800 8.3725 118.5167 56.4847 31.5686 174.6977 154 L 5.1600 9.3063 125.3625 52.8927 44.0485 175.5815 155 A 5.2049 8.4548 126.1252 49.1694 21.5668 176.6239 156 V 3.3284 8.7924 122.9850 65.5866 32.4249 175.5103 157 F 5.7034 8.4243 117.3415 54.6054 43.0315 174.1263 158 R 5.2244 8.5355 116.5977 54.5964 32.5967 173.5667 159 Q 4.8844 8.2322 121.8747 54.6293 29.9814 177.2854 160 G 3.7511 8.8039 111.7128 46.2041 0.0000 172.5148 161 T 4.5693 8.2585 118.2414 60.7810 70.7170 172.2113 162 P 5.1871 0.0000 0.0000 62.2274 31.8909 177.2896 163 G 3.9405 8.6146 110.1699 46.3065 0.0000 173.2400 164 L 4.4389 7.3695 117.5557 53.7293 43.3441 175.1168 165 A 4.0028 8.5076 123.2849 52.9312 18.4730 177.3350 166 V 4.4987 8.0460 122.0215 61.7380 35.2051 173.7316 167 D 4.8920 9.0576 128.1206 53.4523 41.9274 175.6832 168 T 5.5888 8.3077 113.5436 59.8054 71.0961 174.7801 169 V 3.8581 8.4501 115.7155 63.5573 31.6264 176.4942 170 A 4.8858 7.7048 121.0762 50.1981 22.4103 173.8904 171 E 4.9160 8.6362 116.3447 54.9340 32.6719 174.9061 172 L 4.8055 8.8130 125.7728 52.7403 43.6880 174.3889 173 P 4.4326 0.0000 0.0000 61.8160 32.6786 175.5979 174 V 4.1167 8.1105 120.3380 61.6072 31.9557 175.7576 175 L 4.2546 8.8951 127.3615 54.8425 41.6526 176.4753 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 E 8.30 4.41 0.00 1.94 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 2.30 2.35 0.00 3 T 7.64 4.76 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 1.32 0.00 0.00 4 Y 9.14 4.73 0.00 3.00 2.71 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 5 P 0.00 4.72 0.00 1.63 1.71 0.00 2.63 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 6 I 8.46 4.98 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 1.28 0.85 0.91 0.00 0.00 7 T 8.65 5.97 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 1.25 0.00 0.00 8 V 8.67 4.40 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 0.57 0.00 0.00 0.73 0.00 0.00 9 G 9.35 3.57 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 0.00 10 G 8.08 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 11 V 7.62 4.29 2.50 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 1.20 0.00 0.00 1.09 0.00 0.00 12 T 8.57 5.30 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 1.09 0.00 0.00 13 R 8.92 4.36 0.00 1.11 1.38 0.00 2.97 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 14 H 8.74 4.66 0.00 2.97 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.37 3.95 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 0.93 0.00 0.00 0.90 0.00 0.00 16 P 0.00 4.58 0.00 2.08 1.94 0.00 3.59 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 2.08 2.10 0.00 17 L 8.14 4.74 0.00 1.46 1.55 0.94 0.68 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 18 I 8.32 4.44 1.84 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 1.15 0.76 0.87 0.00 0.00 19 E 8.46 5.40 0.00 1.99 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 2.39 2.22 0.00 20 P 0.00 4.48 0.00 2.19 2.16 0.00 3.97 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 1.96 1.97 0.00 21 L 7.28 4.85 0.00 1.63 1.53 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.57 0.00 2.03 1.98 0.00 3.72 0.00 0.00 3.65 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 23 G 9.52 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 24 R 8.01 4.42 0.00 1.95 1.80 0.00 3.08 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 25 R 8.55 5.55 0.00 1.67 1.73 0.00 3.31 0.00 0.00 3.32 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 26 I 7.91 4.82 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.88 0.00 0.00 27 P 0.00 4.49 0.00 1.79 2.02 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 28 L 7.98 4.25 0.00 1.51 1.66 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.97 3.68 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 0.72 0.00 0.00 0.12 0.00 0.00 30 E 8.35 4.37 0.00 2.00 1.78 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 2.09 2.25 0.00 31 F 8.40 5.05 0.00 3.15 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 *35 P 0.00 4.33 0.00 2.02 2.05 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 1.92 1.59 0.00 36 E 8.62 4.03 0.00 2.06 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 2.50 2.45 0.00 37 F 8.26 4.38 0.00 3.20 3.21 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 0.00 38 T 7.69 3.15 4.07 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 0.00 0.00 0.83 0.00 0.00 39 R 10.64 3.76 0.00 1.90 1.89 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 40 A 8.09 4.01 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 41 A 7.49 3.61 0.95 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 42 A 9.01 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.95 3.82 0.00 1.93 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 2.30 2.48 0.00 44 A 7.46 4.06 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 45 L 8.12 3.98 0.00 1.74 1.65 0.82 1.02 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 46 R 7.61 3.70 0.00 1.80 1.86 0.00 3.09 0.00 0.00 3.14 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 47 P 0.00 4.19 0.00 2.04 2.09 0.00 3.83 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 2.11 0.00 48 L 7.68 4.21 0.00 1.68 1.69 0.89 0.66 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 49 V 8.53 3.61 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 0.75 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.63 0.00 2.22 2.01 0.00 3.68 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 2.11 2.10 0.00 51 K 6.93 4.62 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.55 7.81 52 E 8.94 4.63 0.00 1.93 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 2.17 2.13 0.00 53 A 7.86 4.26 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 54 E 8.62 4.65 0.00 1.98 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 2.23 2.41 0.00 55 I 7.44 4.83 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.95 0.00 0.00 56 L 9.09 4.92 0.00 1.69 1.57 0.88 1.09 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 57 F 10.02 5.06 0.00 2.98 3.07 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 0.00 0.00 0.00 58 T 8.15 5.04 4.15 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 1.20 0.00 0.00 59 T 8.00 4.83 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 1.21 0.00 0.00 60 E 8.59 4.00 0.00 2.17 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 2.35 2.33 0.00 61 T 8.64 4.47 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 62 S 8.33 4.31 0.00 3.91 3.97 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 63 P 0.00 4.60 0.00 2.34 2.17 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 64 I 8.37 3.65 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.82 1.02 0.00 0.00 65 P 0.00 4.16 0.00 2.26 2.39 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.19 0.00 66 L 7.99 3.55 0.00 1.56 1.91 0.58 1.03 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 67 T 7.66 3.74 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 0.84 0.00 0.00 68 H 8.46 3.56 0.00 2.91 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.32 3.64 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 0.65 0.00 0.00 0.85 0.00 0.00 70 L 7.30 3.99 0.00 1.80 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.94 4.34 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 72 E 7.33 4.14 0.00 1.92 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 2.33 2.33 0.00 *77 P 0.00 4.53 0.00 2.19 2.27 0.00 4.12 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 78 Y 8.01 5.36 0.00 3.03 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 79 V 8.78 3.49 1.59 0.00 0.00 0.00 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 1.13 0.00 0.00 80 V 6.90 5.19 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 0.64 0.00 0.00 1.02 0.00 0.00 81 A 8.40 4.61 1.29 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 82 R 9.25 4.91 0.00 1.85 1.90 0.00 3.31 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 83 R 8.84 5.37 0.00 1.94 2.00 0.00 3.18 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 84 R 7.14 4.32 0.00 1.62 1.52 0.00 3.11 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 85 R 7.07 2.63 0.00 1.27 0.66 0.00 2.83 0.00 0.00 2.97 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.22 0.00 86 R 7.91 4.30 0.00 1.78 1.75 0.00 3.22 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 87 P 0.00 3.87 0.00 1.72 1.28 0.00 3.75 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 88 Y 7.91 3.72 0.00 3.16 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 89 M 7.57 4.28 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 90 E 9.25 4.19 0.00 2.08 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 2.39 2.31 0.00 91 D 7.60 4.41 0.00 2.71 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 92 P 0.00 4.97 0.00 2.39 2.21 0.00 3.93 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 2.11 2.41 0.00 93 I 8.87 4.04 1.92 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 1.24 0.73 0.89 0.00 0.00 94 I 8.19 4.45 1.51 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.56 -0.33 0.00 0.00 95 Q 8.33 4.43 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 96 E 8.74 4.40 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 *105 G 8.09 3.70 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 0.00 0.00 0.00 106 E 8.21 4.18 0.00 2.00 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 2.34 2.26 0.00 107 V 8.37 4.53 2.46 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 0.77 0.00 0.00 1.08 0.00 0.00 108 L 8.61 5.23 0.00 1.92 1.84 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 W 9.86 4.99 0.00 3.22 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 0.00 110 L 8.96 5.03 0.00 1.95 1.66 1.22 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 D 9.05 4.78 0.00 2.81 2.40 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 0.00 112 R 8.18 3.95 0.00 2.38 1.93 0.00 3.23 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 113 R 7.45 4.06 0.00 1.97 1.84 0.00 3.44 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 114 F 8.05 4.77 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 4.36 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 0.00 116 E 7.95 4.33 0.00 2.20 2.38 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 2.45 2.35 0.00 117 K 7.78 4.20 0.00 1.90 1.97 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.81 7.81 118 L 6.97 4.47 0.00 1.75 1.53 0.86 0.83 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 *121 Q 8.25 4.34 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 122 R 8.80 4.62 0.00 1.91 1.88 0.00 3.08 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 123 V 10.07 5.38 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 0.90 0.00 0.00 0.99 0.00 0.00 124 V 8.24 4.73 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 0.98 0.00 0.00 0.95 0.00 0.00 125 L 8.54 5.61 0.00 1.74 1.73 1.06 1.17 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 0.00 126 V 8.31 4.86 2.04 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 0.99 0.00 0.00 0.91 0.00 0.00 127 S 8.84 4.42 0.00 3.93 3.66 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 0.00 128 D 9.02 4.65 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 4.89 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 0.90 0.00 0.00 0.99 0.00 0.00 130 V 8.60 4.18 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 0.93 0.00 0.00 0.96 0.00 0.00 131 A 8.87 4.53 1.21 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 0.00 0.00 0.00 132 S 8.21 4.14 0.00 4.03 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 *135 T 8.13 4.30 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 1.24 0.00 0.00 136 M 8.06 4.24 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 137 R 8.14 4.03 0.00 1.82 2.00 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 138 A 8.13 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 0.00 139 M 7.70 5.09 0.00 2.97 2.52 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.68 0.00 *141 K 8.05 4.34 0.00 2.04 2.03 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.66 7.81 142 M 7.48 4.09 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.50 0.00 143 V 7.15 3.48 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 0.88 0.00 0.00 0.26 0.00 0.00 144 L 7.46 4.49 0.00 1.63 1.63 0.90 0.83 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 0.00 145 R 7.67 4.50 0.00 1.72 1.94 0.00 3.19 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 146 A 7.39 4.36 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 0.00 147 G 8.19 3.74 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 0.00 0.00 0.00 148 G 7.95 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 0.00 0.00 0.00 0.00 149 H 9.49 5.05 0.00 3.05 3.12 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.93 5.59 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 1.04 0.00 0.00 0.83 0.00 0.00 *153 R 8.37 4.28 0.00 1.85 1.97 0.00 3.44 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 154 L 9.31 5.16 0.00 1.51 1.55 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.45 5.20 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 0.00 156 V 8.79 3.33 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 0.15 0.00 0.00 0.94 0.00 0.00 157 F 8.42 5.70 0.00 3.07 2.91 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 0.00 158 R 8.54 5.22 0.00 1.83 2.02 0.00 3.14 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 159 Q 8.23 4.88 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.92 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 160 G 8.80 3.75 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 0.00 0.00 0.00 161 T 8.26 4.57 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 1.22 0.00 0.00 162 P 0.00 5.19 0.00 2.30 1.99 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 163 G 8.61 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 0.00 164 L 7.37 4.44 0.00 1.74 1.61 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.51 4.00 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 0.00 166 V 8.05 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 0.85 0.00 0.00 1.00 0.00 0.00 167 D 9.06 4.89 0.00 2.64 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 0.00 168 T 8.31 5.59 4.38 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 1.29 0.00 0.00 169 V 8.45 3.86 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 0.60 0.00 0.00 0.72 0.00 0.00 170 A 7.70 4.89 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 0.00 171 E 8.64 4.92 0.00 1.99 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 2.24 2.49 0.00 172 L 8.81 4.81 0.00 1.66 1.49 0.81 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.43 0.00 2.09 2.05 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 174 V 8.11 4.12 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 0.80 0.00 0.00 0.90 0.00 0.00 175 L 8.90 4.25 0.00 1.46 1.44 0.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.