NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.5582 8.3049 120.7071 54.0268 33.1816 175.0274 8 P 4.6395 0.0000 0.0000 61.4742 32.1713 174.1326 9 R 4.6966 9.3049 118.3923 54.7661 33.8193 173.0252 10 L 4.9612 8.3942 122.1952 54.0796 43.8108 175.2010 11 C 4.8380 9.0853 123.5691 57.9483 31.3701 172.9982 12 R 4.8325 8.6863 122.6594 54.6113 31.5529 175.2402 13 L 4.8774 8.8678 124.7712 52.7934 44.8730 175.8148 14 V 4.8658 8.2892 122.0323 60.8308 33.4462 175.2320 15 R 3.5112 9.0883 129.6176 56.5328 30.7429 176.8354 16 G 3.9823 8.5530 117.0065 44.9788 0.0000 174.5474 17 E 3.9344 8.7649 116.7057 59.4420 29.9233 174.7128 *18 Q 4.1890 8.0667 116.6651 55.4516 28.8049 178.3199 19 G 3.9436 6.4718 103.0742 45.1087 0.0000 172.5524 20 Y 4.1004 7.9265 116.4673 58.9246 38.4646 176.6186 21 G 4.1747 8.9415 107.3100 45.8548 0.0000 172.2136 22 F 5.5613 7.6876 111.5647 55.2752 41.9779 173.3969 23 H 4.8027 9.4979 117.3077 54.1195 30.8051 173.3182 24 L 5.2374 8.5857 125.6787 53.9242 43.6864 174.8671 25 H 4.9202 9.5799 125.8625 54.4061 32.9257 172.1254 26 G 3.9840 8.4875 112.4511 45.3169 0.0000 171.9959 27 E 4.1816 9.1460 124.6345 58.3694 30.3826 178.4521 *31 R 4.3707 7.9427 120.2648 56.5503 32.5495 178.5751 32 G 4.2152 8.0001 105.5371 44.2624 0.0000 172.1826 33 Q 5.1712 8.2459 119.4506 53.8308 32.1877 174.5754 34 F 5.1438 9.2671 121.2540 55.6516 43.6154 174.5660 35 I 4.6185 8.9983 123.3094 60.7275 37.1294 176.5627 36 R 4.2500 9.4351 129.6391 58.5602 30.8657 176.6389 37 R 4.7544 7.9628 117.6682 54.8306 33.8220 173.6882 38 V 4.9095 8.2984 125.0375 60.8857 34.2564 174.4465 39 E 4.2423 9.4164 130.1188 55.1511 30.6604 174.3754 40 P 4.5984 0.0000 0.0000 63.5560 31.8484 176.6632 41 G 3.9015 9.2274 110.3219 46.2807 0.0000 174.3332 42 S 4.5992 7.6598 115.2170 56.5518 65.7726 173.0845 43 P 4.2655 0.0000 0.0000 65.9531 30.9703 178.6524 44 A 4.0611 8.3749 119.3426 55.2719 18.0279 179.3510 45 E 3.8887 8.3025 117.5026 59.3554 29.5027 178.8714 46 A 4.0998 8.0929 119.8141 54.8957 18.5462 178.7745 47 A 4.0982 8.0248 116.6443 52.1731 18.6922 177.2855 48 A 3.6257 7.8843 119.0293 52.7557 16.5738 177.9693 49 L 4.0990 7.6458 120.8476 56.5383 43.0395 176.4442 50 R 4.6359 9.0416 123.2496 53.7082 33.4773 175.1024 51 A 4.3739 8.4834 124.5352 54.0129 18.8015 178.0074 52 G 4.0979 9.3916 111.6031 45.0262 0.0000 173.8539 53 D 4.6568 7.9598 120.3957 54.5498 42.0727 175.3265 54 R 4.3241 9.1214 123.6629 54.6667 32.0782 174.7254 55 L 4.3027 8.2385 129.2556 54.7865 42.2325 175.8921 56 V 4.1551 9.0576 126.6469 64.0320 33.6186 175.2954 57 E 5.1695 7.8796 117.5403 54.4492 34.4777 174.7822 58 V 4.5152 8.3539 121.6943 61.4794 34.4673 175.4600 59 N 4.1924 10.0223 127.1950 54.5130 36.5781 175.4136 60 G 3.8774 8.4643 102.9876 45.4219 0.0000 173.6062 61 V 4.2818 7.4368 120.0155 60.1883 33.3986 174.4925 62 N 4.7791 8.8012 126.0477 54.1651 39.4357 174.5612 63 V 4.3304 8.5514 117.1313 60.8372 32.7966 175.3131 64 E 4.2365 8.6160 121.8199 57.6755 29.5701 176.7223 65 G 4.0389 8.9721 112.0103 45.5310 0.0000 173.6416 66 E 4.3276 7.6387 118.3162 55.7870 30.3530 176.9952 67 T 4.2895 8.7027 112.0293 61.3156 71.0147 175.3014 68 H 4.2045 8.6783 120.1948 59.7419 29.7722 176.5526 69 H 4.0909 8.2534 119.4449 59.3205 29.7800 176.8977 70 Q 3.9114 8.0721 119.8348 59.0845 28.5577 179.2772 71 V 3.5417 7.7258 119.0738 65.8974 31.5919 178.1277 72 V 3.5173 7.8908 118.2615 66.1929 31.0995 177.9722 73 Q 3.9782 7.9372 116.7676 59.0096 28.8802 178.7783 74 R 4.0599 7.9603 119.0749 59.3124 29.8707 179.1551 75 I 3.7445 7.6901 118.6599 64.2248 37.2262 178.1027 76 K 4.2599 7.9953 116.6470 57.8149 32.0545 178.7012 77 A 4.3031 7.7379 121.3702 52.9967 18.5660 177.3676 78 V 4.1349 7.3066 117.6711 60.5867 32.4750 174.4625 79 E 3.8696 8.6800 129.0239 57.7762 30.0456 176.8268 80 G 4.0952 10.3046 114.7877 45.2501 0.0000 172.4282 81 Q 5.2812 7.4880 114.2629 55.4632 31.9112 174.1441 82 T 4.9412 8.7945 114.2531 60.8090 71.6430 172.3253 83 R 5.0113 9.2624 123.2448 54.3083 32.5134 174.0943 84 L 5.0090 9.0121 123.7161 52.6564 44.8612 175.1629 85 L 4.8277 8.7464 127.2850 54.1797 43.2428 175.7774 86 V 5.0358 8.9162 119.7560 59.4173 36.3990 175.0464 87 V 4.6002 8.6089 121.7374 60.0614 34.4092 173.8786 88 D 5.0095 8.7812 125.2407 52.6861 41.9233 175.2805 89 Q 4.3410 8.6831 128.1943 55.5307 29.5766 174.8582 90 E 4.7473 8.7969 122.6832 55.7450 31.1503 175.0022 91 D 4.8836 8.0806 117.4351 52.8025 44.1807 175.4344 92 T 4.6197 8.3363 119.7925 62.0600 72.5309 173.1395 93 S 4.6885 8.6226 120.9843 56.9344 64.6547 174.5424 94 V 4.0091 8.2197 116.7247 61.4893 32.0355 175.3626 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 7 M 8.30 4.56 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 8 P 0.00 4.64 0.00 1.98 1.99 0.00 3.60 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 2.01 2.12 0.00 9 R 9.30 4.70 0.00 1.76 1.94 0.00 2.73 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 10 L 8.39 4.96 0.00 1.62 1.56 0.91 0.84 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 11 C 9.09 4.84 0.00 2.73 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 12 R 8.69 4.83 0.00 1.66 1.86 0.00 3.16 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 13 L 8.87 4.88 0.00 1.63 1.74 0.76 0.78 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 14 V 8.29 4.87 2.14 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 0.81 0.00 0.00 0.98 0.00 0.00 15 R 9.09 3.51 0.00 1.40 1.56 0.00 2.92 0.00 0.00 2.98 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 16 G 8.55 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 17 E 8.76 3.93 0.00 2.00 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 2.23 1.87 0.00 *18 Q 8.07 4.19 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 19 G 6.47 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 20 Y 7.93 4.10 0.00 3.04 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 21 G 8.94 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 0.00 0.00 0.00 0.00 22 F 7.69 5.56 0.00 3.11 2.96 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 0.00 0.00 0.00 0.00 23 H 9.50 4.80 0.00 3.32 3.37 0.00 5.79 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 24 L 8.59 5.24 0.00 1.78 1.66 1.09 0.95 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 25 H 9.58 4.92 0.00 3.35 3.23 0.00 5.81 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 26 G 8.49 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 27 E 9.15 4.18 0.00 2.14 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 2.46 2.41 0.00 *31 R 7.94 4.37 0.00 1.85 1.89 0.00 3.24 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 1.45 1.21 0.00 32 G 8.00 4.22 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 0.00 33 Q 8.25 5.17 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 34 F 9.27 5.14 0.00 3.02 2.99 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 35 I 9.00 4.62 2.04 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.95 0.00 0.00 36 R 9.44 4.25 0.00 1.88 2.07 0.00 3.28 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 37 R 7.96 4.75 0.00 1.88 1.71 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 38 V 8.30 4.91 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 0.90 0.00 0.00 0.99 0.00 0.00 39 E 9.42 4.24 0.00 2.13 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 0.00 2.34 2.33 0.00 40 P 0.00 4.60 0.00 2.09 2.00 0.00 3.90 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 41 G 9.23 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 42 S 7.66 4.60 0.00 4.32 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 43 P 0.00 4.27 0.00 2.50 2.49 0.00 3.81 0.00 0.00 3.81 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 44 A 8.37 4.06 1.58 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 0.00 0.00 45 E 8.30 3.89 0.00 2.24 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 2.32 2.34 0.00 46 A 8.09 4.10 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 47 A 8.02 4.10 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 48 A 7.88 3.63 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.10 0.00 1.55 1.56 0.72 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 R 9.04 4.64 0.00 1.93 1.75 0.00 3.18 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 51 A 8.48 4.37 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 52 G 9.39 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 53 D 7.96 4.66 0.00 2.68 2.54 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 54 R 9.12 4.32 0.00 1.72 1.65 0.00 2.91 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.00 55 L 8.24 4.30 0.00 1.53 1.42 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.06 4.16 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 0.95 0.00 0.00 0.86 0.00 0.00 57 E 7.88 5.17 0.00 1.86 1.76 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 2.33 2.24 0.00 58 V 8.35 4.52 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 0.95 0.00 0.00 0.89 0.00 0.00 59 N 10.02 4.19 0.00 2.83 2.84 0.00 0.00 7.15 7.21 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 60 G 8.46 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 61 V 7.44 4.28 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 0.94 0.00 0.00 0.97 0.00 0.00 62 N 8.80 4.78 0.00 2.70 2.70 0.00 0.00 7.01 7.71 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 63 V 8.55 4.33 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 0.81 0.00 0.00 0.93 0.00 0.00 64 E 8.62 4.24 0.00 1.98 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 2.29 2.21 0.00 65 G 8.97 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 66 E 7.64 4.33 0.00 2.10 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 2.23 0.00 67 T 8.70 4.29 4.28 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 1.23 0.00 0.00 68 H 8.68 4.20 0.00 3.29 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.25 4.09 0.00 3.33 3.33 0.00 5.93 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 70 Q 8.07 3.91 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 71 V 7.73 3.54 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 0.96 0.00 0.00 0.94 0.00 0.00 72 V 7.89 3.52 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 0.93 0.00 0.00 0.77 0.00 0.00 73 Q 7.94 3.98 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 74 R 7.96 4.06 0.00 2.02 1.95 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 75 I 7.69 3.74 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.93 0.00 0.00 76 K 8.00 4.26 0.00 1.87 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.61 7.81 77 A 7.74 4.30 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 78 V 7.31 4.13 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 1.01 0.00 0.00 0.94 0.00 0.00 79 E 8.68 3.87 0.00 1.97 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 2.29 2.31 0.00 80 G 10.30 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 81 Q 7.49 5.28 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 82 T 8.79 4.94 4.12 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 0.00 0.00 0.69 0.00 0.00 83 R 9.26 5.01 0.00 1.83 1.96 0.00 2.74 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 84 L 9.01 5.01 0.00 1.37 1.43 0.51 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.75 4.83 0.00 1.72 1.58 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.92 5.04 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 0.54 0.00 0.00 0.95 0.00 0.00 87 V 8.61 4.60 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 0.93 0.00 0.00 88 D 8.78 5.01 0.00 2.92 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.34 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 90 E 8.80 4.75 0.00 1.95 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 2.20 2.23 0.00 91 D 8.08 4.88 0.00 2.65 2.53 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 92 T 8.34 4.62 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 93 S 8.62 4.69 0.00 3.97 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 94 V 8.22 4.01 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.