NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 E 4.3166 8.3027 120.2206 56.0527 31.3093 175.9135 19 H 3.7672 8.9048 120.2457 59.0203 29.2481 175.3289 20 S 4.0806 9.0189 115.8564 61.9312 62.4391 175.9346 21 S 4.2096 8.2148 117.2999 60.8257 62.4681 176.0817 22 L 3.8848 7.6237 123.5478 58.3173 41.6812 178.9299 23 E 3.9244 7.5757 118.2096 59.7236 29.3605 179.3423 24 T 3.8575 7.8233 115.0340 66.8661 68.5464 176.3527 25 I 3.7387 8.0166 121.8213 64.5192 37.2385 178.0944 26 E 3.9392 8.4121 120.0686 59.3207 29.2809 178.7004 27 L 4.0373 7.9136 119.1638 57.9168 42.4661 178.3987 28 F 4.3702 8.4854 120.9643 61.3684 39.2657 177.0766 29 I 3.4860 8.1877 119.7916 64.5297 36.7442 178.2946 30 Q 4.0776 7.8423 116.6938 58.3656 28.5157 177.6528 31 H 4.4297 7.7730 116.2030 56.3134 29.5840 175.9283 32 L 4.0193 6.8139 120.2148 55.0759 41.8836 176.6243 33 T 4.4437 8.2503 111.2016 61.4181 69.0771 173.9907 34 E 4.5811 7.7077 120.1876 54.6844 31.8772 175.8741 35 A 4.1555 8.0816 125.2974 51.9890 19.4351 176.1777 *37 I 3.9900 7.8985 119.5451 60.7810 40.0626 173.8552 38 L 5.0425 8.9761 129.8085 53.3072 43.8473 175.4808 39 V 5.0334 9.1639 126.7487 59.8698 34.4858 175.4007 40 N 4.8453 8.9277 120.0834 51.4086 39.1315 175.7415 41 A 4.2146 8.8191 120.4510 55.7347 18.2926 178.6418 42 N 4.5693 8.3415 110.6393 54.7159 38.9804 175.9255 43 G 3.9877 8.9079 107.6698 45.4787 0.0000 172.4575 44 F 5.1221 8.4634 118.5514 55.0802 40.7378 175.2583 45 I 4.1243 8.9466 127.0834 62.1507 37.1520 176.6558 46 R 4.3015 9.2881 128.7270 58.2680 31.1426 176.2342 47 S 4.8678 7.8376 111.3791 57.4323 66.1529 172.4225 48 C 5.0505 8.3660 118.1733 57.5394 32.8787 171.8317 49 N 5.0596 8.3117 115.4231 50.1059 40.0514 175.2375 50 Q 3.9557 8.5094 118.4437 59.3484 28.8612 178.3899 51 R 3.9077 7.9131 118.9845 59.2342 30.1423 178.9806 52 S 4.0439 8.7677 114.2483 61.2726 63.0422 176.3958 53 A 4.1176 7.7358 125.3513 54.1229 18.1735 179.3209 54 E 3.8129 8.2444 117.9196 59.4452 29.5982 178.8199 55 L 3.9734 7.7498 118.9662 57.8307 42.4521 177.9896 56 L 4.2412 8.3231 117.0285 53.8411 41.4542 176.6925 57 D 4.6321 7.6854 117.1328 55.2625 39.4266 172.8607 58 C 4.9249 7.9173 117.7525 56.3476 34.5126 171.4509 59 P 4.4505 0.0000 0.0000 62.5949 31.7568 176.7061 60 Q 3.9655 9.0094 122.5112 59.6952 28.6253 179.5562 61 V 3.6701 7.7798 117.9127 64.4820 31.5061 177.6174 62 S 4.4898 7.8713 114.4144 60.0069 63.3933 176.1750 63 L 4.2425 7.5791 122.5439 56.5763 41.4963 177.4769 64 K 4.1842 7.5950 118.8262 57.9546 32.5667 175.9988 65 G 4.1598 9.2761 114.9480 45.7335 0.0000 173.9274 66 Q 4.3714 7.9893 118.1584 55.3798 29.7384 174.4320 67 D 4.4636 8.3581 119.2204 52.6379 41.6210 177.0805 68 W 4.7377 8.9825 125.7157 59.4950 27.8878 178.1931 69 R 3.1415 7.9624 118.8355 58.2034 29.1400 177.9298 70 N 4.2837 8.1331 115.6410 54.5779 38.5433 175.4725 71 F 5.2262 7.5143 118.0186 56.2240 39.5443 174.9808 72 L 4.8158 7.0153 120.7227 52.6897 43.5868 176.4220 73 T 3.9788 8.1232 114.9469 61.8487 67.8913 173.5590 74 E 3.9486 8.8084 128.1263 59.8428 29.9286 177.8003 75 H 4.5604 7.8028 119.4286 54.8512 28.2871 173.4034 76 H 4.6764 7.3211 118.4965 53.4770 30.9138 175.7330 77 Q 3.7928 8.4558 118.0351 55.9317 28.5797 177.5298 78 A 4.2904 8.7563 126.8825 55.4027 18.9562 179.0757 79 R 3.8701 8.0039 115.1357 59.9543 29.7285 177.5555 80 Y 4.9038 8.0656 114.3281 59.8223 37.9183 177.0792 81 D 4.8651 8.2873 120.2082 55.2132 41.8379 175.8992 82 N 4.8626 8.1103 117.0940 51.2979 39.9694 174.3474 83 L 3.7036 8.3386 124.9650 57.2899 41.8604 179.4839 84 L 4.2252 7.7612 117.6984 56.6113 42.3707 176.3981 85 S 4.3673 7.4862 113.6548 56.8983 65.3663 173.1622 *96 Q 4.0339 8.4880 126.0028 54.6990 29.7420 173.0549 97 P 4.4544 0.0000 0.0000 62.1970 31.9899 176.1417 98 V 3.8513 8.5207 120.9350 63.8665 31.7848 175.4278 99 Q 4.9174 8.3262 121.7518 56.0339 30.5637 172.6173 100 H 4.7415 8.4707 116.2850 54.2982 32.2976 171.7904 101 P 5.0567 0.0000 0.0000 61.9680 32.7630 175.4381 102 A 4.3941 8.5873 121.8029 52.7813 18.5737 177.0844 103 Q 4.6145 9.3281 120.4056 54.0157 32.7359 174.4004 104 E 4.4890 8.9205 120.1505 57.9420 30.0861 176.7146 105 T 4.7963 9.7026 120.6033 62.4309 73.6549 172.7796 106 T 4.9099 8.6057 121.7718 62.1475 70.1306 174.0487 107 L 4.9619 8.9157 126.2851 53.0611 45.6163 175.5340 108 I 4.7264 8.3538 122.3642 59.7933 39.2763 175.6073 109 C 4.9430 9.1498 125.4662 59.1128 28.9910 175.0888 110 A 4.2634 8.9902 124.0835 55.3025 18.0358 179.4471 111 S 4.2073 8.0238 108.9330 59.7718 63.3599 175.2468 112 G 3.9777 8.6224 110.4633 44.5899 0.0000 173.2688 113 K 4.5431 7.5582 118.3448 55.5955 34.4876 176.3153 114 A 4.8327 8.5114 124.7211 51.8931 19.8846 176.7860 115 K 4.5063 9.0601 121.5069 55.0885 35.8283 174.8386 116 D 5.0380 8.8414 127.7468 54.3117 42.1822 175.8991 117 V 4.8424 9.4170 116.2555 59.8567 37.0768 174.0123 118 E 4.7839 9.2112 123.2766 54.7637 30.2999 174.5253 119 L 4.9729 8.6829 130.2648 53.9467 43.8239 175.3885 120 S 5.3966 8.9494 120.0919 56.6416 66.1332 173.3322 121 I 4.7714 8.5379 121.9351 59.6933 40.7976 174.5145 122 S 5.0174 9.0400 122.1510 56.8493 66.2398 172.2777 123 Y 4.4050 8.6615 125.1289 56.1766 40.0627 174.5040 124 I 4.0502 7.2090 126.9465 58.4284 39.6591 173.6654 125 P 3.9562 0.0000 0.0000 61.5062 32.0036 175.8596 126 G 4.2505 8.1700 111.1234 45.0346 0.0000 172.3468 127 H 4.3032 8.3470 117.6022 58.1437 28.8069 175.7972 128 E 4.5854 7.7183 117.9181 52.7674 29.5399 173.1962 129 P 4.6728 0.0000 0.0000 61.9021 32.2951 176.2211 *131 F 4.5683 8.2586 115.6115 57.4534 40.5751 175.1201 132 V 4.9454 8.2847 122.0756 58.9777 35.2321 173.8403 *134 V 4.5516 7.8207 118.8703 63.2710 33.3849 173.2704 *136 H 4.6746 8.3560 116.6675 55.6947 30.1711 172.3557 137 D 4.9420 8.7064 123.8459 52.7651 41.7599 176.1482 138 L 4.1948 7.8857 126.0606 55.1479 41.5597 177.1122 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 18 E 8.30 4.32 0.00 2.04 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 2.30 2.29 0.00 19 H 8.90 3.77 0.00 3.34 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 9.02 4.08 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 21 S 8.21 4.21 0.00 3.98 3.84 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 0.00 0.00 0.00 22 L 7.62 3.88 0.00 1.71 1.60 0.90 0.92 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 23 E 7.58 3.92 0.00 2.04 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 2.29 2.27 0.00 24 T 7.82 3.86 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 1.16 0.00 0.00 25 I 8.02 3.74 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.97 0.00 0.00 26 E 8.41 3.94 0.00 2.08 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 0.00 2.32 2.33 0.00 27 L 7.91 4.04 0.00 1.93 1.76 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.49 4.37 0.00 3.15 3.19 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 29 I 8.19 3.49 2.00 0.00 0.00 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 1.80 1.55 0.86 0.00 0.00 30 Q 7.84 4.08 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 31 H 7.77 4.43 0.00 3.12 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 6.81 4.02 0.00 1.42 1.44 0.61 0.77 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 33 T 8.25 4.44 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 1.17 0.00 0.00 34 E 7.71 4.58 0.00 1.85 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 2.14 2.16 0.00 35 A 8.08 4.16 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 *37 I 7.90 3.99 1.82 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 1.51 1.62 0.85 0.00 0.00 38 L 8.98 5.04 0.00 1.73 1.50 0.96 0.87 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 39 V 9.16 5.03 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 0.59 0.00 0.00 0.98 0.00 0.00 40 N 8.93 4.85 0.00 3.09 3.12 0.00 0.00 7.03 6.86 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 41 A 8.82 4.21 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 42 N 8.34 4.57 0.00 3.23 3.30 0.00 0.00 7.06 7.65 0.00 0.00 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 G 8.91 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.46 5.12 0.00 3.26 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 45 I 8.95 4.12 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 1.00 0.00 0.00 46 R 9.29 4.30 0.00 1.81 2.12 0.00 3.35 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 47 S 7.84 4.87 0.00 3.96 3.63 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 48 C 8.37 5.05 0.00 2.93 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 49 N 8.31 5.06 0.00 2.87 2.97 0.00 0.00 7.05 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 50 Q 8.51 3.96 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 51 R 7.91 3.91 0.00 1.91 1.96 0.00 3.30 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 52 S 8.77 4.04 0.00 3.91 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 53 A 7.74 4.12 1.44 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 54 E 8.24 3.81 0.00 2.07 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 0.00 2.28 2.34 0.00 55 L 7.75 3.97 0.00 1.73 1.74 0.89 0.89 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 56 L 8.32 4.24 0.00 1.61 1.26 0.80 -0.16 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 57 D 7.69 4.63 0.00 2.88 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 58 C 7.92 4.92 0.00 3.15 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 59 P 0.00 4.45 0.00 2.27 2.18 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 60 Q 9.01 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 61 V 7.78 3.67 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 0.95 0.00 0.00 62 S 7.87 4.49 0.00 4.06 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 63 L 7.58 4.24 0.00 1.84 1.74 0.80 0.34 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 64 K 7.59 4.18 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 65 G 9.28 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 66 Q 7.99 4.37 0.00 2.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 67 D 8.36 4.46 0.00 2.08 2.30 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 68 W 8.98 4.74 0.00 3.73 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 69 R 7.96 3.14 0.00 1.93 1.68 0.00 3.17 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.00 70 N 8.13 4.28 0.00 1.86 2.26 0.00 0.00 6.83 7.42 0.00 0.00 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 F 7.51 5.23 0.00 3.09 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 72 L 7.02 4.82 0.00 1.37 1.34 -0.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.12 3.98 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 1.30 0.00 0.00 74 E 8.81 3.95 0.00 1.94 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 2.27 2.30 0.00 75 H 7.80 4.56 0.00 3.08 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.32 4.68 0.00 3.38 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.46 3.79 0.00 1.39 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 78 A 8.76 4.29 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 79 R 8.00 3.87 0.00 1.78 1.68 0.00 3.23 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 80 Y 8.07 4.90 0.00 3.04 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 81 D 8.29 4.87 0.00 2.81 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 82 N 8.11 4.86 0.00 2.79 2.65 0.00 0.00 7.03 6.05 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 83 L 8.34 3.70 0.00 1.09 0.13 0.45 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.76 4.23 0.00 1.72 1.76 0.98 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 85 S 7.49 4.37 0.00 3.80 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 *96 Q 8.49 4.03 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 97 P 0.00 4.45 0.00 1.95 1.79 0.00 3.65 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 0.00 98 V 8.52 3.85 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 1.01 0.00 0.00 1.05 0.00 0.00 99 Q 8.33 4.92 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 100 H 8.47 4.74 0.00 3.26 3.48 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 5.06 0.00 2.14 2.17 0.00 3.88 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 2.04 2.02 0.00 102 A 8.59 4.39 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 0.00 103 Q 9.33 4.61 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 104 E 8.92 4.49 0.00 1.89 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 2.34 2.39 0.00 105 T 9.70 4.80 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 1.35 0.00 0.00 106 T 8.61 4.91 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 1.23 0.00 0.00 107 L 8.92 4.96 0.00 1.78 1.61 0.99 0.93 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 0.00 108 I 8.35 4.73 1.87 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 1.23 1.31 0.91 0.00 0.00 109 C 9.15 4.94 0.00 2.98 3.09 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 0.00 110 A 8.99 4.26 1.55 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 0.00 111 S 8.02 4.21 0.00 4.01 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 0.00 112 G 8.62 3.98 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 0.00 0.00 0.00 113 K 7.56 4.54 0.00 1.90 1.95 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 114 A 8.51 4.83 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 0.00 115 K 9.06 4.51 0.00 1.78 1.63 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.43 7.81 116 D 8.84 5.04 0.00 2.66 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 0.00 117 V 9.42 4.84 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 0.86 0.00 0.00 1.02 0.00 0.00 118 E 9.21 4.78 0.00 1.93 1.87 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 2.22 2.21 0.00 119 L 8.68 4.97 0.00 1.92 1.63 1.01 0.91 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 0.00 120 S 8.95 5.40 0.00 4.00 3.89 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 0.00 121 I 8.54 4.77 1.72 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.63 0.99 0.00 0.00 122 S 9.04 5.02 0.00 3.71 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 0.00 123 Y 8.66 4.41 0.00 2.94 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 0.00 124 I 7.21 4.05 1.57 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.70 0.00 0.00 125 P 0.00 3.96 0.00 2.01 1.70 0.00 3.48 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 126 G 8.17 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 0.00 0.00 0.00 0.00 127 H 8.35 4.30 0.00 3.18 3.38 0.00 5.64 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 0.00 128 E 7.72 4.59 0.00 1.93 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 2.24 2.29 0.00 129 P 0.00 4.67 0.00 2.33 2.23 0.00 3.51 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 *131 F 8.26 4.57 0.00 2.97 2.94 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 0.00 132 V 8.28 4.95 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 1.03 0.00 0.00 0.91 0.00 0.00 *134 V 7.82 4.55 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 1.08 0.00 0.00 0.92 0.00 0.00 *136 H 8.36 4.67 0.00 3.21 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.71 4.94 0.00 2.67 2.59 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 0.00 0.00 0.00 0.00 138 L 7.89 4.19 0.00 1.83 1.58 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.