NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2384 8.3144 121.7902 56.2254 32.9278 174.5040 14 V 4.1676 8.3593 126.1494 60.0353 33.6883 169.1419 15 V 4.2556 8.4110 127.1707 61.0145 33.8520 175.3602 16 S 4.3072 8.5426 121.4870 57.7884 64.0282 174.1936 17 W 4.4533 9.1205 135.0000 60.8725 30.2451 178.0125 18 I 3.3256 7.9926 112.1367 64.3897 36.5509 177.7798 19 D 4.2631 8.0014 120.4806 56.6093 40.7578 178.8476 20 V 3.5606 7.8769 119.0712 66.0255 31.5304 177.4463 21 Y 3.7365 8.2316 119.9888 61.0284 38.4412 177.7764 22 T 3.6283 7.7036 115.8089 66.4774 68.5984 175.7590 23 R 4.0931 7.4226 118.5395 57.6519 30.6580 177.3026 24 A 4.2715 7.4656 119.1291 51.9144 19.3716 176.8282 25 T 3.9992 7.2230 112.8613 61.5663 67.9181 172.7950 26 C 4.0640 7.6696 127.3427 56.0707 43.2288 172.9162 27 Q 4.5346 8.4884 123.0328 55.0792 32.0730 171.1285 28 P 5.0505 0.0000 0.0000 62.7007 32.3471 176.5431 29 R 4.6564 9.7428 122.6197 55.0841 33.2176 174.7280 30 E 4.2239 8.9566 120.0087 57.6510 30.1137 174.7793 31 V 4.4791 8.7224 124.2361 60.0170 35.3675 174.2299 32 V 4.5330 8.3240 126.0237 61.7756 32.9075 174.9990 33 V 4.3856 9.0393 127.9698 60.4144 34.3109 172.5629 34 P 4.7868 0.0000 0.0000 62.2002 31.9724 176.0489 35 L 4.3559 8.8316 125.5352 55.3479 43.0228 177.9029 36 T 4.3609 8.7909 117.7646 64.7383 66.1388 173.2179 *37 V 4.3103 7.6344 118.3430 62.9610 34.5418 181.0409 *38 E 3.8652 8.3329 118.8267 59.3125 30.3280 179.6936 *39 L 4.3344 7.9052 121.9984 54.4102 41.4857 180.7257 *40 M 3.9414 8.7798 123.7875 56.3882 31.6476 174.1667 41 G 3.6935 7.7294 105.8646 47.4035 0.0000 173.4777 42 T 3.2986 8.3125 114.0514 64.7427 65.1655 172.1342 43 V 4.2100 7.9673 120.3996 62.3416 31.7848 175.3901 44 A 4.5809 7.7636 123.1416 51.2153 20.8184 177.0894 *45 K 4.6307 8.0894 122.9932 52.9207 35.0851 176.6485 *46 Q 4.4810 8.6328 112.6299 56.4459 26.7677 168.1227 47 L 5.0110 7.6662 118.0828 54.7896 43.5506 176.6271 48 V 4.3916 8.7840 122.8971 60.5801 34.0525 173.0017 49 P 4.8892 0.0000 0.0000 62.0152 33.3539 176.0642 50 S 4.7903 8.4339 114.2203 58.3778 64.0991 172.7971 51 C 5.1768 7.5124 112.6771 58.4886 32.5802 172.9257 52 V 4.6154 8.9368 112.5400 60.2474 36.4185 174.3173 53 T 5.1089 8.4452 118.5536 61.9440 70.2493 174.6072 54 V 4.5445 9.1821 125.8157 59.6559 35.4027 174.9275 55 Q 4.5146 8.6022 122.6869 56.6572 29.9054 175.6837 56 R 4.5227 8.5263 120.3117 55.2135 35.7307 172.9170 57 C 5.1735 8.7757 117.7865 56.4581 39.4235 173.7945 58 G 4.0401 9.5071 110.1432 45.3929 0.0000 170.2889 59 G 4.1636 8.3329 104.0048 44.0609 0.0000 172.7939 60 C 4.8827 8.5319 113.9647 56.6893 33.1439 172.1231 61 C 5.1719 8.3175 116.9443 54.4312 42.1260 173.5738 62 P 4.2175 0.0000 0.0000 64.3914 31.4857 175.7484 63 D 4.7855 8.4479 118.5813 52.1516 43.9672 175.5346 64 D 4.5076 8.9536 125.3517 56.2541 41.5578 176.7712 65 G 3.8971 9.9378 106.6979 48.7038 0.0000 174.4187 66 L 4.6773 7.7316 119.7421 54.6929 42.8677 176.3018 67 E 4.7441 8.9644 116.7189 55.2579 33.4518 173.2887 68 C 5.2228 8.6849 121.2865 55.5814 44.9471 173.0800 69 V 4.8239 8.5461 118.7279 58.7725 36.1162 173.1334 70 P 4.9336 0.0000 0.0000 63.0350 32.0527 176.0883 71 T 4.6421 8.4368 110.3980 61.0042 70.7380 173.6381 72 G 3.9529 7.5505 104.5128 46.4791 0.0000 173.1248 73 Q 5.4477 9.0098 123.9304 52.9198 33.5809 174.0061 74 H 4.6423 7.9358 114.6750 55.6601 30.4720 173.8841 75 Q 4.8197 8.8289 119.5064 55.7001 30.0194 175.3329 76 V 4.4697 8.9001 122.3631 61.1935 34.7888 174.4371 77 R 4.7980 8.6209 126.3697 55.2415 31.3147 175.3088 78 M 4.4527 9.4213 126.5328 53.6894 33.9133 175.0557 79 Q 4.5999 8.7399 126.3033 56.1118 29.7793 175.7651 80 I 4.5190 8.6314 125.3688 59.0609 40.7128 174.5980 81 L 4.5387 8.5696 129.6506 55.3198 43.0252 175.4215 82 M 4.9877 9.3684 127.0075 54.1169 34.3101 175.3758 83 I 5.0225 8.6606 124.7422 60.6006 41.4558 176.9329 84 R 4.2593 9.3232 124.2664 55.9140 30.4523 177.8459 85 Y 3.5834 7.7359 121.2255 57.2314 42.2913 172.3554 86 P 3.3462 0.0000 0.0000 64.5772 32.1506 177.2668 87 S 4.6246 8.1374 114.2460 55.7157 64.6777 172.6516 88 S 5.0247 8.5525 118.7041 56.5780 64.8478 172.8588 89 Q 4.5686 9.1409 126.7009 53.6180 31.7428 174.0980 90 L 4.2353 8.7712 128.7059 55.4128 42.5624 175.9951 91 G 4.1646 9.1865 115.9794 44.6568 0.0000 170.3941 92 E 5.0587 8.4890 119.7915 54.7601 32.0993 174.5322 93 M 4.6514 9.1022 127.6388 53.9466 34.6694 174.3727 94 S 5.4164 8.4982 119.5150 56.7201 65.2515 172.5772 95 L 4.5938 8.4510 124.6981 54.3515 44.3042 173.8459 96 E 4.5124 8.7038 121.4316 56.2124 29.7868 175.2767 97 E 4.7948 9.1581 128.1823 54.7312 32.5851 174.4218 98 H 5.1367 8.7191 123.9007 55.0165 29.9516 175.1868 99 S 4.7942 8.9629 113.8959 58.2378 64.9277 174.0955 100 Q 4.7101 7.8494 118.4531 54.7812 33.0885 174.2623 101 C 5.5633 8.6128 118.5447 55.8357 44.1048 172.8045 102 E 4.8447 8.8758 118.1377 55.6385 34.1691 173.6767 103 C 5.3885 8.5066 119.3400 56.1676 39.8828 173.3584 104 R 4.6573 8.8507 116.6236 54.3067 32.8274 171.8916 105 P 4.3548 0.0000 0.0000 63.5705 31.3539 177.3715 *106 K 4.3443 8.1458 132.0472 55.0677 31.5393 175.7571 107 K 4.0048 8.0369 126.7026 58.4231 32.4502 180.0179 *108 K 4.1936 7.8404 124.2250 54.4995 32.3269 177.5857 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 13 K 8.31 4.24 0.00 1.74 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 14 V 8.36 4.17 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 0.87 0.00 0.00 0.95 0.00 0.00 15 V 8.41 4.26 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 0.86 0.00 0.00 0.95 0.00 0.00 16 S 8.54 4.31 0.00 3.98 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 17 W 9.12 4.45 0.00 3.43 3.32 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 18 I 7.99 3.33 1.83 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 1.73 0.53 0.97 0.00 0.00 19 D 8.00 4.26 0.00 2.91 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 20 V 7.88 3.56 2.24 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 1.04 0.00 0.00 1.02 0.00 0.00 21 Y 8.23 3.74 0.00 2.03 2.28 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 22 T 7.70 3.63 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 1.14 0.00 0.00 23 R 7.42 4.09 0.00 1.87 1.89 0.00 3.21 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 24 A 7.47 4.27 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 25 T 7.22 4.00 3.49 0.00 0.00 0.00 0.00 0.00 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 26 C 7.67 4.06 0.00 3.02 2.95 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 27 Q 8.49 4.53 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 28 P 0.00 5.05 0.00 1.95 2.02 0.00 3.67 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 2.14 2.08 0.00 29 R 9.74 4.66 0.00 1.72 1.94 0.00 2.66 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 30 E 8.96 4.22 0.00 1.77 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 1.91 0.00 31 V 8.72 4.48 2.17 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 0.85 0.00 0.00 1.00 0.00 0.00 32 V 8.32 4.53 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 0.80 0.00 0.00 0.92 0.00 0.00 33 V 9.04 4.39 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 0.90 0.00 0.00 0.91 0.00 0.00 34 P 0.00 4.79 0.00 2.11 1.97 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 35 L 8.83 4.36 0.00 1.65 1.58 0.99 0.76 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 36 T 8.79 4.36 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 1.26 0.00 0.00 *37 V 7.63 4.31 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 0.70 0.00 0.00 0.93 0.00 0.00 *38 E 8.33 3.87 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 *39 L 7.91 4.33 0.00 1.57 1.60 0.92 0.83 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 *40 M 8.78 3.94 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.16 0.00 41 G 7.73 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 42 T 8.31 3.30 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 43 V 7.97 4.21 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 0.83 0.00 0.00 0.98 0.00 0.00 44 A 7.76 4.58 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 *45 K 8.09 4.63 0.00 1.75 1.61 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 0.96 7.81 *46 Q 8.63 4.48 0.00 2.04 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.78 0.00 47 L 7.67 5.01 0.00 1.52 1.62 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.78 4.39 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 1.00 0.00 0.00 0.94 0.00 0.00 49 P 0.00 4.89 0.00 2.27 2.15 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 50 S 8.43 4.79 0.00 3.92 4.11 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 51 C 7.51 5.18 0.00 3.12 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 52 V 8.94 4.62 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 0.79 0.00 0.00 0.92 0.00 0.00 53 T 8.45 5.11 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 54 V 9.18 4.54 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 0.70 0.00 0.00 1.00 0.00 0.00 55 Q 8.60 4.51 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 56 R 8.53 4.52 0.00 1.60 1.66 0.00 2.90 0.00 0.00 2.71 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 57 C 8.78 5.17 0.00 2.91 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 58 G 9.51 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 59 G 8.33 4.16 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 0.00 60 C 8.53 4.88 0.00 3.08 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 61 C 8.32 5.17 0.00 2.99 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 62 P 0.00 4.22 0.00 2.10 2.24 0.00 3.66 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 2.14 2.30 0.00 63 D 8.45 4.79 0.00 2.62 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 0.00 0.00 0.00 0.00 64 D 8.95 4.51 0.00 2.69 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 65 G 9.94 3.90 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 0.00 0.00 0.00 66 L 7.73 4.68 0.00 1.63 1.65 0.94 1.24 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 67 E 8.96 4.74 0.00 2.00 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 2.55 2.25 0.00 68 C 8.68 5.22 0.00 2.99 3.02 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 69 V 8.55 4.82 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 0.77 0.00 0.00 0.96 0.00 0.00 70 P 0.00 4.93 0.00 1.85 1.45 0.00 3.66 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 1.87 1.71 0.00 71 T 8.44 4.64 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 1.19 0.00 0.00 72 G 7.55 3.95 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 0.00 73 Q 9.01 5.45 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 74 H 7.94 4.64 0.00 3.16 3.40 0.00 5.45 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.83 4.82 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 76 V 8.90 4.47 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 1.06 0.00 0.00 1.07 0.00 0.00 77 R 8.62 4.80 0.00 1.73 1.96 0.00 3.41 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 78 M 9.42 4.45 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 79 Q 8.74 4.60 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.46 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 80 I 8.63 4.52 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 1.11 0.96 0.91 0.00 0.00 81 L 8.57 4.54 0.00 1.84 1.55 0.92 0.57 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 82 M 9.37 4.99 0.00 1.97 2.05 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 2.73 2.50 0.00 83 I 8.66 5.02 2.00 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 1.09 0.60 0.97 0.00 0.00 84 R 9.32 4.26 0.00 1.66 1.76 0.00 3.26 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 1.45 1.42 0.00 85 Y 7.74 3.58 0.00 2.99 3.26 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 86 P 0.00 3.35 0.00 1.96 1.75 0.00 3.84 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 1.91 1.87 0.00 87 S 8.14 4.62 0.00 3.93 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 88 S 8.55 5.02 0.00 3.84 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 89 Q 9.14 4.57 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 90 L 8.77 4.24 0.00 1.67 1.59 0.92 1.03 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 91 G 9.19 4.16 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 0.00 92 E 8.49 5.06 0.00 1.92 1.80 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 2.17 2.27 0.00 93 M 9.10 4.65 0.00 2.11 1.88 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 2.51 2.46 0.00 94 S 8.50 5.42 0.00 3.89 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 95 L 8.45 4.59 0.00 1.76 1.70 0.96 0.72 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 96 E 8.70 4.51 0.00 2.01 1.91 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 2.35 2.35 0.00 97 E 9.16 4.79 0.00 1.97 1.62 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 2.13 2.43 0.00 98 H 8.72 5.14 0.00 3.04 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.96 4.79 0.00 3.85 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 0.00 100 Q 7.85 4.71 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 101 C 8.61 5.56 0.00 2.77 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 0.00 102 E 8.88 4.84 0.00 1.88 1.77 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 2.23 2.28 0.00 103 C 8.51 5.39 0.00 2.85 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 0.00 104 R 8.85 4.66 0.00 1.84 1.96 0.00 2.80 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 105 P 0.00 4.35 0.00 2.09 2.17 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 *106 K 8.15 4.34 0.00 1.79 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.25 7.81 107 K 8.04 4.00 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *108 K 7.84 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.