NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1848 8.1127 119.7065 56.7273 30.7592 175.0118 3 V 2.9744 8.4759 119.9645 62.0626 30.9359 171.6096 4 K 4.2800 8.5198 118.5665 57.8090 33.8721 176.0150 5 M 4.2584 7.4094 117.6884 54.4653 32.9792 173.8877 6 H 4.4344 8.8050 113.0422 55.9390 29.8960 176.3262 7 V 2.4710 6.4969 107.8727 60.3134 33.0389 178.1537 8 K 4.8402 7.4994 123.2737 54.7877 36.3918 176.0842 9 K 4.3764 8.3089 122.2796 56.4292 33.0222 179.0549 10 G 4.5341 8.8598 104.1408 45.6885 0.0000 173.1558 11 D 5.0037 7.5354 122.4629 53.0855 41.1243 179.0423 12 T 4.6822 8.5431 116.7648 62.0694 71.5002 172.4465 13 V 4.6567 8.7584 119.9561 59.3268 35.4459 174.9382 14 L 4.7423 8.8879 125.4505 54.2187 44.0287 175.7590 15 V 4.6405 8.3178 123.3524 61.3356 34.3680 175.5299 16 A 4.9388 8.4586 124.6454 52.6136 19.8880 178.3246 17 S 4.4059 8.8894 117.9093 60.2447 62.3262 174.8647 18 G 4.1907 9.1964 107.9845 46.1887 0.0000 175.0161 19 K 3.9731 9.0672 119.5761 59.0581 33.0732 177.9105 20 Y 4.2956 7.5269 113.4648 57.2119 38.1762 174.7803 21 K 3.6323 7.4856 123.1339 57.4400 32.3162 175.6810 22 G 4.2097 8.5001 116.5521 46.4693 0.0000 172.0446 23 R 4.2707 7.7173 115.7097 55.0448 32.5174 173.6577 24 V 3.4722 8.1618 125.3295 62.3614 32.5702 171.1406 25 G 4.0240 8.3984 113.7749 44.9180 0.0000 173.3922 26 K 4.5684 7.9839 120.9734 55.5513 34.0964 175.7502 27 V 3.5923 8.0913 116.0849 63.1482 32.2927 177.4670 28 K 4.5106 8.2738 122.7628 56.1183 32.9933 176.6887 29 E 3.6861 8.5879 116.3593 56.5577 27.5223 175.1628 30 V 3.0018 7.7211 112.2209 63.7897 29.7282 172.8208 31 L 4.0288 7.7419 131.1793 54.7786 41.9781 175.6051 32 P 4.7477 0.0000 0.0000 62.2604 32.8225 177.3418 33 K 3.7434 8.0187 118.8253 59.3405 31.9732 177.1931 34 K 4.3021 7.9526 114.6561 55.3837 33.6731 174.9249 35 Y 3.2677 8.5637 120.0429 58.5138 37.3775 168.0117 36 A 5.2397 7.2676 121.3555 50.7796 24.0776 176.2947 37 V 4.4396 8.1403 112.8239 61.1211 31.2532 176.9474 38 I 3.8913 8.5366 129.6236 63.1882 44.3014 176.9026 39 V 3.5361 7.7013 116.8698 63.2507 31.1675 173.1891 40 E 4.6890 8.9673 111.0038 57.1421 33.4907 176.2312 41 G 3.3703 7.8654 109.6504 47.4747 0.0000 175.2932 42 V 2.5899 5.7639 119.8629 62.2782 30.8482 175.8668 43 N 5.2419 7.9696 124.8786 52.0222 38.2645 173.5368 44 I 4.3827 7.3150 122.3746 60.6339 38.9579 175.2046 45 V 4.7146 7.9221 119.8513 61.1768 36.1786 176.6308 46 K 4.1969 8.2167 123.4389 55.9836 31.7390 177.5992 47 K 3.8724 9.0203 112.3003 58.1694 33.8272 174.5286 48 A 3.9687 6.7263 126.2654 52.8496 17.2505 178.2897 49 V 4.1290 7.9636 120.1084 61.1093 33.9954 178.4135 50 R 3.5331 7.6646 117.6151 57.7277 28.0455 177.4390 51 V 3.8516 8.4314 120.3019 65.9563 32.1508 177.0891 52 S 4.5048 7.5252 114.1180 56.4545 65.2252 173.9977 53 P 4.3712 0.0000 0.0000 62.2476 30.5004 176.0387 54 K 3.4466 8.7885 120.4061 57.7628 32.5226 176.8090 55 Y 3.6170 9.3708 115.3080 58.9269 37.6582 172.0444 56 P 3.8714 0.0000 0.0000 61.6667 34.3530 179.3359 57 Q 4.6779 8.9375 132.1078 56.5588 30.1181 173.3649 58 G 4.1307 8.3626 110.6514 45.3312 0.0000 173.7319 59 G 4.0723 8.6786 106.5069 45.7762 0.0000 173.2663 60 F 5.4084 8.9022 114.5079 56.6369 39.9069 177.1139 61 I 4.5749 7.4614 120.9231 60.6802 37.5700 176.7107 62 E 4.5533 7.2994 130.1175 55.8072 29.1723 179.9232 63 K 4.7056 8.1821 127.4845 56.1208 36.3113 173.6518 64 E 5.2882 8.9496 119.1851 54.8910 30.8479 176.2743 65 A 4.4386 9.1397 126.2953 51.5082 20.1178 177.2550 66 P 4.2289 0.0000 0.0000 67.3932 32.5470 172.7521 67 L 3.5724 7.9090 129.6593 53.9936 43.7432 173.0527 68 H 4.4709 8.7557 125.1225 56.2282 30.1234 175.6975 69 A 3.9701 8.7019 129.7780 55.1200 18.2162 179.3580 70 S 4.1862 8.3218 108.6897 60.2585 63.0304 174.8689 71 K 4.2493 8.5157 119.7362 58.2404 32.3950 177.0326 72 V 4.7557 6.9468 111.1212 60.5346 33.4582 176.0050 73 R 4.7719 8.8362 120.8645 54.3739 34.8409 173.8460 74 P 4.9443 0.0000 0.0000 62.6033 33.5390 174.9870 75 I 4.6448 7.3171 117.9933 60.3244 40.9128 174.0166 76 C 4.6616 8.9122 122.9479 60.0658 34.1940 173.6841 77 P 3.9136 0.0000 0.0000 62.0319 27.4946 174.9932 78 A 4.3215 6.3730 121.6159 52.4053 23.3436 175.2265 79 C 4.7781 7.9487 115.1850 58.5009 35.9156 178.3247 80 G 3.6197 8.3581 107.8079 45.2538 0.0000 177.8132 81 K 3.9488 9.0679 133.5806 55.9353 31.0361 173.8469 82 P 4.3806 0.0000 0.0000 63.4122 31.9316 175.9631 83 T 4.4677 8.1692 116.5396 63.1410 70.0411 174.2334 84 R 4.8627 8.5602 123.2976 54.4442 34.5540 174.2564 85 V 4.8114 8.1772 118.0755 61.8065 34.0672 174.3205 86 R 4.7813 8.9695 127.0700 54.5636 33.2215 176.2532 87 K 4.0184 8.7144 119.8050 58.3891 33.3556 179.0899 88 K 4.0595 8.3278 115.5400 55.5317 29.8953 176.4135 89 F 3.9950 8.6771 115.8498 57.3125 35.7790 174.7508 90 L 4.8470 7.3015 130.6643 56.1354 41.9097 173.5495 91 E 4.7287 7.4923 119.4857 55.4277 30.1522 176.1845 92 N 4.8319 7.9407 123.5990 54.8484 41.6463 174.3811 93 G 4.4335 8.5880 112.7259 44.4199 0.0000 170.8884 94 K 5.1038 8.5754 119.7703 55.6392 34.7599 175.5539 95 K 4.7383 8.4106 119.7613 54.6231 37.2005 176.1138 96 I 4.2833 8.2587 121.7272 61.2580 38.5475 175.1400 97 R 4.2078 8.2527 119.5241 56.7220 30.2570 177.2382 98 V 3.0868 8.0642 115.3907 63.3080 28.7564 172.6859 99 C 6.0809 8.2900 135.0000 59.2548 33.1124 173.2064 100 A 3.9106 7.5321 120.7573 53.0665 18.0258 177.8217 101 K 4.0515 8.3616 119.7814 56.7645 33.5778 175.0083 *102 C 4.3630 8.6745 122.0619 57.8040 28.5244 171.7196 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 R 8.11 4.18 0.00 1.86 1.96 0.00 3.41 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 3 V 8.48 2.97 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 0.75 0.00 0.00 0.93 0.00 0.00 4 K 8.52 4.28 0.00 1.86 1.95 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.34 7.81 5 M 7.41 4.26 0.00 2.14 2.15 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 2.53 2.52 0.00 6 H 8.80 4.43 0.00 3.17 3.52 0.00 5.74 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.50 2.47 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 0.73 0.00 0.00 0.92 0.00 0.00 8 K 7.50 4.84 0.00 1.60 1.94 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.40 7.81 9 K 8.31 4.38 0.00 1.83 1.48 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.36 7.81 10 G 8.86 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.54 5.00 0.00 2.65 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 0.00 0.00 0.00 0.00 12 T 8.54 4.68 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 13 V 8.76 4.66 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 0.77 0.00 0.00 0.96 0.00 0.00 14 L 8.89 4.74 0.00 1.73 1.65 0.95 0.87 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 15 V 8.32 4.64 2.35 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 1.04 0.00 0.00 0.96 0.00 0.00 16 A 8.46 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 17 S 8.89 4.41 0.00 4.04 3.54 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 18 G 9.20 4.19 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 0.00 19 K 9.07 3.97 0.00 2.01 1.94 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 20 Y 7.53 4.30 0.00 3.00 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 21 K 7.49 3.63 0.00 1.79 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 G 8.50 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 0.00 0.00 0.00 0.00 23 R 7.72 4.27 0.00 1.90 2.06 0.00 3.53 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 24 V 8.16 3.47 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 0.74 0.00 0.00 0.94 0.00 0.00 25 G 8.40 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 26 K 7.98 4.57 0.00 1.80 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.42 7.81 27 V 8.09 3.59 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 0.99 0.00 0.00 0.98 0.00 0.00 28 K 8.27 4.51 0.00 1.73 1.96 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.34 7.81 29 E 8.59 3.69 0.00 2.04 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 2.21 2.31 0.00 30 V 7.72 3.00 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 0.73 0.00 0.00 0.87 0.00 0.00 31 L 7.74 4.03 0.00 1.87 1.56 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.75 0.00 2.10 2.17 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 33 K 8.02 3.74 0.00 1.77 1.98 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.51 7.81 34 K 7.95 4.30 0.00 1.74 1.86 0.00 1.91 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.40 7.81 35 Y 8.56 3.27 0.00 3.15 2.88 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 36 A 7.27 5.24 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 37 V 8.14 4.44 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 0.87 0.00 0.00 0.98 0.00 0.00 38 I 8.54 3.89 2.13 0.00 0.00 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 1.25 0.56 0.86 0.00 0.00 39 V 7.70 3.54 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 0.85 0.00 0.00 0.89 0.00 0.00 40 E 8.97 4.69 0.00 1.96 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 2.18 2.22 0.00 41 G 7.87 3.37 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 0.00 42 V 5.76 2.59 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 0.91 0.00 0.00 0.74 0.00 0.00 43 N 7.97 5.24 0.00 2.82 2.68 0.00 0.00 7.11 7.37 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 44 I 7.31 4.38 1.87 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 1.32 0.75 0.93 0.00 0.00 45 V 7.92 4.71 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 0.75 0.00 0.00 0.98 0.00 0.00 46 K 8.22 4.20 0.00 1.58 0.90 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.31 7.81 47 K 9.02 3.87 0.00 1.87 1.92 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 48 A 6.73 3.97 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 49 V 7.96 4.13 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 0.81 0.00 0.00 1.05 0.00 0.00 50 R 7.66 3.53 0.00 1.93 1.72 0.00 3.21 0.00 0.00 3.12 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 51 V 8.43 3.85 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 0.80 0.00 0.00 0.90 0.00 0.00 52 S 7.53 4.50 0.00 3.93 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 53 P 0.00 4.37 0.00 2.02 2.14 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 54 K 8.79 3.45 0.00 1.41 1.30 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.42 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.40 7.81 55 Y 9.37 3.62 0.00 3.18 3.17 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 56 P 0.00 3.87 0.00 2.16 1.50 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 57 Q 8.94 4.68 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 58 G 8.36 4.13 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 0.00 0.00 0.00 59 G 8.68 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 0.00 0.00 0.00 0.00 60 F 8.90 5.41 0.00 2.95 3.06 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 61 I 7.46 4.57 1.91 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 1.46 0.49 0.94 0.00 0.00 62 E 7.30 4.55 0.00 1.98 1.12 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 2.21 2.29 0.00 63 K 8.18 4.71 0.00 1.51 1.65 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 64 E 8.95 5.29 0.00 1.77 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 2.20 2.26 0.00 65 A 9.14 4.44 1.16 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 66 P 0.00 4.23 0.00 1.96 2.05 0.00 3.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 67 L 7.91 3.57 0.00 2.03 1.61 0.90 0.87 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 68 H 8.76 4.47 0.00 3.24 3.23 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.70 3.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.19 0.00 4.09 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 0.00 71 K 8.52 4.25 0.00 2.05 1.86 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 72 V 6.95 4.76 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 0.64 0.00 0.00 0.92 0.00 0.00 73 R 8.84 4.77 0.00 1.70 1.76 0.00 3.13 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 74 P 0.00 4.94 0.00 2.06 2.07 0.00 3.78 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 2.09 1.98 0.00 75 I 7.32 4.64 2.01 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 1.33 0.63 0.91 0.00 0.00 76 C 8.91 4.66 0.00 2.91 2.77 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 0.00 0.00 0.00 0.00 77 P 0.00 3.91 0.00 2.15 2.29 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 78 A 6.37 4.32 1.33 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 0.00 0.00 79 C 7.95 4.78 0.00 2.89 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 80 G 8.36 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.07 3.95 0.00 2.00 2.21 0.00 1.70 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.45 7.81 82 P 0.00 4.38 0.00 2.08 2.01 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 83 T 8.17 4.47 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 84 R 8.56 4.86 0.00 1.89 1.83 0.00 3.20 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 85 V 8.18 4.81 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 0.82 0.00 0.00 0.94 0.00 0.00 86 R 8.97 4.78 0.00 1.90 1.74 0.00 3.14 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 87 K 8.71 4.02 0.00 2.03 2.08 0.00 1.81 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 88 K 8.33 4.06 0.00 1.99 2.13 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.52 7.81 89 F 8.68 4.00 0.00 3.08 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 90 L 7.30 4.85 0.00 1.75 1.78 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.49 4.73 0.00 1.99 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 2.25 2.36 0.00 92 N 7.94 4.83 0.00 2.68 2.67 0.00 0.00 7.04 7.98 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 93 G 8.59 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 5.10 0.00 1.78 1.93 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.46 7.81 95 K 8.41 4.74 0.00 1.68 1.70 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.39 7.81 96 I 8.26 4.28 1.86 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 1.40 1.07 0.91 0.00 0.00 97 R 8.25 4.21 0.00 1.89 1.94 0.00 3.15 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 98 V 8.06 3.09 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 0.75 0.00 0.00 0.93 0.00 0.00 99 C 8.29 6.08 0.00 3.08 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 0.00 100 A 7.53 3.91 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 0.00 101 K 8.36 4.05 0.00 1.66 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.27 7.81 *102 C 8.67 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.