NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3354 8.1693 122.4923 54.5613 43.5930 175.9653 3 S 4.6105 8.0701 110.1968 55.4070 65.6501 171.5490 4 I 4.5447 8.6131 123.3262 60.4536 41.4115 177.9760 5 G 4.0958 9.7295 108.8409 44.4575 0.0000 172.0479 6 R 4.8731 8.6014 114.6945 54.9306 33.5565 175.8105 7 T 4.4899 8.5484 107.5696 62.6216 70.0837 173.6503 8 C 5.3579 7.5731 122.0704 57.9989 34.8322 172.8795 9 W 5.2506 9.5909 124.4439 55.0178 33.5210 173.8544 10 A 5.2476 8.8039 123.3170 50.2816 21.9938 175.5440 11 I 4.5106 8.9873 121.3833 59.4911 39.7389 176.7089 12 A 3.8679 8.9011 130.7142 53.8884 18.8029 176.5238 13 E 4.4461 7.5204 116.0330 54.8945 31.8103 175.7411 14 G 2.4301 9.0553 107.9797 45.9041 0.0000 171.8839 15 Y 5.0884 8.9816 122.8681 57.0175 42.9070 173.1774 16 I 4.3026 7.6261 127.6605 58.7769 39.3432 173.7793 17 P 4.5150 0.0000 0.0000 61.3831 31.8695 175.4996 18 P 4.1885 0.0000 0.0000 63.1698 31.6658 176.0889 *31 E 4.5659 8.1619 116.8750 56.7975 31.2073 175.1461 32 T 4.9301 8.9341 120.4428 61.6705 73.0982 173.1445 33 V 4.3737 8.3516 125.2521 61.5648 33.4546 174.2145 34 C 4.5828 8.7746 127.1844 58.5542 29.5920 173.0844 35 I 4.8852 8.5531 124.7722 59.2971 40.4305 174.4548 36 L 4.8274 8.5922 126.0376 53.4755 45.8353 174.8042 37 N 5.1628 9.3067 124.4526 51.5925 40.0405 173.4552 38 A 4.3315 8.5464 123.6724 51.8923 19.7135 177.0255 39 G 3.9731 7.8557 105.4954 45.8270 0.0000 174.4053 40 D 4.8278 8.6357 117.4149 54.1229 41.3011 176.1379 41 E 4.7476 7.6725 120.2703 53.8355 32.0933 175.2185 42 D 4.6112 8.9071 125.7345 54.9756 42.0520 175.5989 43 A 4.6275 9.0721 124.5378 50.9413 20.0298 175.9582 44 H 5.0607 9.9163 122.1053 54.8364 29.0144 174.6191 45 V 4.4762 8.5912 124.2078 62.1786 33.4348 174.6046 46 E 5.1409 9.3599 126.1281 54.8559 33.0011 174.5415 47 I 5.1186 8.7166 125.8684 59.9302 39.9963 174.9050 48 T 4.9472 8.9565 122.7726 61.8532 71.7699 172.8942 49 I 4.8592 8.0297 126.1529 59.9881 39.3147 174.4575 50 Y 4.8206 9.3862 125.0447 56.5074 41.1168 174.2053 51 Y 5.4163 8.4337 118.3053 56.4594 41.7378 175.4481 52 S 4.6171 9.1125 113.5026 59.2815 63.9349 174.6133 53 D 4.8677 8.2790 117.9651 52.3230 41.0234 175.3338 54 K 4.6922 7.8232 116.8979 54.2159 35.4025 175.2585 55 E 4.2614 8.4845 118.9003 55.5969 30.0191 175.2892 56 P 4.4280 0.0000 0.0000 62.8585 32.4822 176.1743 57 V 4.1335 8.9870 123.6086 62.9458 32.9243 174.9636 58 G 3.8083 7.9041 114.4133 41.0000 0.0000 171.3497 59 P 4.5343 0.0000 0.0000 62.8943 31.9765 176.4197 60 Y 4.4848 9.2504 124.1074 56.7002 38.5638 175.6766 61 R 4.7449 8.4828 123.4094 55.9500 31.6009 175.9397 62 L 4.4907 7.5802 120.3988 55.1720 46.3606 172.9164 63 T 5.2425 8.6990 119.7392 61.7350 72.2805 173.8638 64 V 4.2861 8.8977 124.8285 60.3042 33.7943 173.0610 65 P 4.8270 0.0000 0.0000 62.6239 31.9763 176.3913 66 A 4.1207 9.2131 124.6759 52.9068 19.0397 177.7529 67 R 3.8005 8.3526 118.4792 56.9978 28.4823 175.9272 68 R 4.7606 7.9044 113.8177 55.2517 35.6293 174.9261 69 T 4.9524 7.9189 114.4398 60.4955 70.9600 172.9861 70 K 4.2428 8.6314 120.5830 56.0428 36.1468 173.4946 71 H 5.0192 9.0462 125.1524 54.8629 30.4992 175.1532 72 V 4.2221 8.4858 121.7084 60.9578 34.4604 174.8789 73 R 4.3285 8.4412 128.0746 55.6910 30.9325 178.1051 74 F 4.1556 8.7169 121.5992 60.5353 39.2620 177.2748 75 N 4.3650 8.3129 118.1029 56.6781 38.8150 175.4415 76 D 4.5580 7.7294 115.8616 55.8591 41.2472 176.7040 77 L 4.3763 7.7874 121.3593 54.7476 42.3539 177.2765 78 N 5.0282 8.8627 116.1911 52.4366 40.7546 173.3964 79 D 5.0755 7.9611 117.9295 51.3120 43.2120 173.6656 80 P 4.1658 0.0000 0.0000 65.3937 31.5325 176.1188 81 A 5.1845 6.8982 116.4152 50.6406 21.9312 173.8702 82 P 4.9313 0.0000 0.0000 61.7891 32.1197 176.5403 83 I 4.0638 8.0795 122.1217 59.6585 37.5848 174.3720 84 P 4.1242 0.0000 0.0000 63.3431 31.4794 176.1764 85 H 4.3435 8.6486 120.0845 55.5748 29.6783 173.8435 86 D 4.1884 8.7724 118.2294 55.3635 39.9190 173.9089 87 T 4.8131 7.4068 112.1062 61.8491 72.5808 173.6886 88 D 5.1994 9.0794 126.8635 54.2991 41.6479 175.5032 89 F 5.1843 8.9930 117.7015 55.3545 42.3401 172.7732 90 A 4.6454 8.9616 119.7390 50.7178 23.2106 174.9164 91 S 5.3484 9.0030 112.5174 57.3267 67.3183 173.3206 92 V 4.9437 9.0236 120.0134 61.3424 34.7190 173.9979 93 I 4.9597 9.4273 129.0334 59.8791 39.2776 174.6841 94 Q 5.3571 9.0418 125.9309 54.3205 32.2405 174.7097 95 S 5.2327 8.8578 115.6970 56.7540 65.4596 173.8971 96 N 4.5786 8.3914 121.9551 54.8538 37.5972 175.5005 97 V 4.6459 7.5833 110.5198 58.2780 35.6263 174.0219 98 P 4.6279 0.0000 0.0000 63.3563 31.8492 175.7140 99 I 4.8774 9.0130 116.4077 59.3877 42.1462 173.7866 100 V 4.5083 8.5642 122.4454 61.0376 33.4916 174.4345 101 V 4.4376 5.6668 126.8574 60.9977 34.2690 174.4801 102 Q 4.3895 8.3121 126.6727 54.9904 32.5562 173.0138 103 H 4.8986 8.8827 126.6309 56.3336 31.2977 174.9224 104 T 4.2225 8.8580 120.3566 64.0005 69.8027 173.6327 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 L 8.17 4.34 0.00 1.61 1.73 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.07 4.61 0.00 4.07 3.78 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 0.00 0.00 0.00 4 I 8.61 4.54 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 1.37 0.71 0.96 0.00 0.00 5 G 9.73 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 6 R 8.60 4.87 0.00 1.67 1.83 0.00 2.28 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.89 0.00 7 T 8.55 4.49 4.52 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 1.26 0.00 0.00 8 C 7.57 5.36 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.59 5.25 0.00 3.28 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 10 A 8.80 5.25 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 11 I 8.99 4.51 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.86 0.00 0.00 12 A 8.90 3.87 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 13 E 7.52 4.45 0.00 1.90 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 2.20 2.28 0.00 14 G 9.06 2.43 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 15 Y 8.98 5.09 0.00 2.82 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 16 I 7.63 4.30 1.58 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 0.61 0.00 0.00 17 P 0.00 4.51 0.00 2.09 2.16 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.52 0.00 18 P 0.00 4.19 0.00 2.07 2.12 0.00 3.78 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 2.09 2.16 0.00 *31 E 8.16 4.57 0.00 2.21 2.32 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 2.56 2.50 0.00 32 T 8.93 4.93 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 1.18 0.00 0.00 33 V 8.35 4.37 1.71 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 0.87 0.00 0.00 0.33 0.00 0.00 34 C 8.77 4.58 0.00 2.72 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 35 I 8.55 4.89 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.57 0.82 0.00 0.00 36 L 8.59 4.83 0.00 1.66 1.37 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.31 5.16 0.00 2.77 2.87 0.00 0.00 6.83 8.59 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 38 A 8.55 4.33 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 39 G 7.86 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 0.00 0.00 0.00 40 D 8.64 4.83 0.00 2.68 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 41 E 7.67 4.75 0.00 1.92 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 2.12 2.27 0.00 42 D 8.91 4.61 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.07 4.63 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 44 H 9.92 5.06 0.00 3.18 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.59 4.48 2.21 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 0.98 0.00 0.00 0.95 0.00 0.00 46 E 9.36 5.14 0.00 1.96 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 2.26 2.31 0.00 47 I 8.72 5.12 1.94 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 1.29 0.76 0.98 0.00 0.00 48 T 8.96 4.95 4.41 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 0.90 0.00 0.00 49 I 8.03 4.86 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 0.83 0.50 0.40 0.00 0.00 50 Y 9.39 4.82 0.00 2.77 2.81 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 0.00 0.00 0.00 51 Y 8.43 5.42 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.11 4.62 0.00 4.04 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 53 D 8.28 4.87 0.00 2.76 2.81 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 0.00 0.00 0.00 54 K 7.82 4.69 0.00 1.84 1.79 0.00 1.38 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.20 1.34 7.81 55 E 8.48 4.26 0.00 2.01 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 2.35 2.30 0.00 56 P 0.00 4.43 0.00 1.66 0.97 0.00 3.64 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 1.93 1.92 0.00 57 V 8.99 4.13 2.39 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 1.07 0.00 0.00 1.25 0.00 0.00 58 G 7.90 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.53 0.00 1.95 2.06 0.00 3.62 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 2.03 2.14 0.00 60 Y 9.25 4.48 0.00 3.04 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 R 8.48 4.74 0.00 1.71 1.87 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 62 L 7.58 4.49 0.00 1.72 1.49 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.70 5.24 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 1.31 0.00 0.00 64 V 8.90 4.29 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 0.82 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.83 0.00 1.97 1.99 0.00 3.74 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 2.03 2.12 0.00 66 A 9.21 4.12 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 67 R 8.35 3.80 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 68 R 7.90 4.76 0.00 1.89 1.75 0.00 3.22 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 1.70 1.71 0.00 69 T 7.92 4.95 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 1.20 0.00 0.00 70 K 8.63 4.24 0.00 1.80 1.56 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.33 7.81 71 H 9.05 5.02 0.00 2.99 3.17 0.00 5.89 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 72 V 8.49 4.22 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 0.90 0.00 0.00 0.85 0.00 0.00 73 R 8.44 4.33 0.00 2.02 1.86 0.00 3.29 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 74 F 8.72 4.16 0.00 3.24 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 75 N 8.31 4.37 0.00 2.70 2.88 0.00 0.00 7.00 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.73 4.56 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.38 0.00 2.04 1.68 0.90 0.26 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 78 N 8.86 5.03 0.00 2.91 3.02 0.00 0.00 5.70 8.07 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 79 D 7.96 5.08 0.00 2.56 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 80 P 0.00 4.17 0.00 1.79 1.94 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 81 A 6.90 5.18 1.20 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 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.93 0.00 2.06 2.01 0.00 3.73 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 I 8.08 4.06 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.11 0.25 0.00 0.00 84 P 0.00 4.12 0.00 1.96 1.94 0.00 3.66 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 1.74 2.01 0.00 85 H 8.65 4.34 0.00 3.06 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.77 4.19 0.00 2.71 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 87 T 7.41 4.81 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 1.39 0.00 0.00 88 D 9.08 5.20 0.00 2.68 2.66 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 89 F 8.99 5.18 0.00 2.74 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 90 A 8.96 4.65 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 91 S 9.00 5.35 0.00 4.11 4.08 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 0.00 0.00 0.00 92 V 9.02 4.94 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 1.13 0.00 0.00 0.99 0.00 0.00 93 I 9.43 4.96 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.97 0.00 0.00 94 Q 9.04 5.36 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 8.86 5.23 0.00 3.89 3.78 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 0.00 0.00 0.00 96 N 8.39 4.58 0.00 3.06 2.96 0.00 0.00 6.70 7.55 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 97 V 7.58 4.65 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 0.70 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.63 0.00 1.98 2.16 0.00 3.65 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 2.06 2.13 0.00 99 I 9.01 4.88 1.98 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 1.43 0.76 0.99 0.00 0.00 100 V 8.56 4.51 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 0.80 0.00 0.00 1.01 0.00 0.00 101 V 5.67 4.44 0.67 0.00 0.00 0.00 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 0.24 0.00 0.00 102 Q 8.31 4.39 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 103 H 8.88 4.90 0.00 3.21 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.86 4.22 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.