NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6876 8.3644 120.3211 52.4037 42.1150 175.5006 5 V 4.1262 7.7097 114.3720 62.4406 35.3484 176.4136 6 L 4.1528 9.0436 120.7964 57.6196 42.3579 178.8602 7 K 3.9665 7.9546 117.1991 59.6402 31.9566 179.1006 8 N 4.3902 8.1405 116.0930 56.3724 38.4773 177.3916 9 I 3.7848 7.7680 120.4959 64.2308 37.1340 178.2328 10 A 4.0220 8.6572 121.8685 55.4947 18.2306 179.3426 11 D 4.3406 8.5212 117.6825 57.9780 40.9344 179.3522 12 T 3.9478 8.1621 116.2728 66.4176 68.1914 176.8278 13 L 4.1319 7.9883 120.2338 58.1064 42.1872 179.1033 14 E 4.0190 8.5972 118.5567 59.1420 29.0787 179.2170 15 A 4.0458 8.0116 120.4452 55.0018 18.5481 179.1493 16 R 4.4451 7.5310 111.4663 56.4036 30.0159 177.7947 17 R 3.5282 7.4125 120.5386 59.1613 30.8909 177.2646 18 E 4.6339 7.9220 114.2048 55.3742 30.0697 174.4490 19 A 4.5968 7.4736 121.9242 50.5911 22.1314 176.6729 20 A 4.2231 8.2968 118.4703 51.4992 19.0863 177.3346 21 P 4.2240 0.0000 0.0000 65.4145 31.4886 177.5191 22 Q 4.3376 7.8520 114.3246 56.3216 29.5557 176.4980 23 S 4.2262 7.9293 113.3679 60.9002 62.6264 173.5867 24 S 4.6181 7.4904 111.3061 56.3039 65.5877 173.6759 25 Y 4.1521 8.7909 120.9282 60.9061 38.5172 177.4512 26 V 3.1488 7.9769 118.4654 65.8863 31.5096 177.6892 27 A 4.2025 7.9494 120.2936 55.0885 18.3167 179.5679 28 S 4.1870 7.8638 112.4337 61.4517 62.9562 176.6941 29 L 3.7459 7.6050 122.4458 57.6562 41.1459 179.2575 30 F 4.5218 7.3992 116.2412 61.2939 38.9614 177.0952 31 H 4.4480 8.2244 116.7713 59.1466 29.7404 177.2079 32 K 4.1234 7.9743 119.8847 59.2415 32.2490 175.7132 33 G 3.7283 8.1999 103.6796 43.6552 0.0000 174.0488 34 E 3.1115 8.8391 118.4651 59.2714 29.2759 178.2685 35 D 4.2809 8.0386 117.9052 57.5542 40.7600 178.5728 36 A 3.9353 7.9366 120.4187 55.3608 18.2757 179.6465 37 I 3.7026 7.3063 117.9833 64.4041 37.1290 178.6550 38 L 4.0212 8.0950 120.0634 57.3980 41.2652 179.6694 39 K 3.8995 8.2800 118.9920 59.3916 31.9580 179.1895 40 K 3.8580 7.5997 118.3790 59.3602 32.0640 178.8837 41 V 3.5765 7.8249 118.2823 66.0430 31.4933 177.8571 42 A 3.9840 8.1970 120.6046 54.9991 18.1336 178.9919 43 E 3.8578 8.4456 118.0931 59.8109 29.7723 179.1204 44 E 3.9620 8.5763 118.3888 59.1283 29.4404 179.3721 45 A 4.0199 8.0153 120.9998 55.0436 18.2329 179.5689 46 A 3.9617 7.9080 118.3564 55.2650 18.5444 179.2121 47 E 4.0242 8.2468 117.0726 59.5692 29.9386 178.8513 48 T 4.0506 7.8829 116.0290 66.4001 68.4624 176.8083 49 L 4.1241 7.5043 116.0359 55.7363 41.1334 178.6638 *51 A 4.2896 7.8850 124.1646 52.3586 20.7738 179.7717 52 S 4.0879 8.2176 110.3557 61.3083 62.7111 176.2648 53 K 3.9400 8.0844 120.3380 59.6196 31.9005 177.1752 54 D 4.5183 8.0808 114.8611 54.1173 40.8753 176.2344 55 K 3.8599 7.7610 116.8468 57.3383 30.7209 176.8948 56 D 4.6523 7.5302 120.3077 52.8532 37.8273 176.2448 57 K 3.8196 8.1549 123.3110 59.3438 32.3285 178.3082 58 L 4.0149 7.9059 118.6549 57.8733 41.6561 178.6768 59 H 4.2802 8.3731 117.8537 58.7472 29.7059 176.9604 60 L 3.8418 8.0599 122.5090 58.3116 41.9592 179.2160 61 V 3.5020 7.4330 118.0312 66.0441 31.4010 178.1930 62 R 3.8778 7.7492 117.6922 59.1106 29.8757 178.9753 63 E 3.9038 8.2928 118.5632 59.3609 29.4831 179.2834 64 V 3.6331 8.0774 118.4699 65.9895 31.3790 177.9978 65 A 3.6832 7.7712 120.4322 55.0688 18.2188 179.1424 66 D 4.4796 8.0724 116.6340 57.2049 41.1346 178.1942 67 L 4.0749 8.5322 121.4182 58.0421 42.0105 178.7359 68 W 4.3908 8.5495 118.1026 59.8903 29.1547 177.9016 69 F 4.3914 8.6715 119.6383 62.0113 39.1133 176.8412 70 H 4.1847 8.6712 115.4158 58.5952 28.2697 178.1085 71 T 4.2042 7.9613 115.5382 64.2465 67.9907 176.1810 *73 V 3.8615 7.7469 123.1657 62.8709 33.6243 177.2924 74 L 3.9600 8.1174 121.1176 58.2110 41.8704 178.7375 75 L 4.0693 8.1784 119.1872 58.4449 41.6055 179.7898 76 T 4.0476 7.9977 114.9198 66.8544 68.2092 175.9037 77 Y 4.0464 8.1179 120.5987 60.2116 38.7683 176.6675 78 H 4.8492 7.8207 115.0013 54.7677 29.2898 175.1327 79 G 3.8803 7.6971 107.4899 46.5470 0.0000 173.7989 80 L 4.9115 7.7568 120.8527 53.1903 44.7740 175.6402 81 R 4.5669 8.9394 112.7993 54.4592 32.3635 174.5181 82 P 4.0888 0.0000 0.0000 65.8456 31.2140 178.1572 83 E 3.9123 8.2800 115.5567 59.8122 29.3587 178.8798 84 D 4.4992 8.1424 118.0642 57.4923 41.1980 178.8315 85 V 3.7246 7.5523 118.0690 65.7786 31.4985 178.3810 86 V 3.7753 7.7660 114.3759 63.9404 30.5527 176.8738 *88 E 4.2067 8.1402 120.0974 55.7538 31.1184 177.8639 89 L 4.0438 8.0282 118.9586 57.8453 41.3618 178.8830 90 H 4.2708 8.2297 117.4078 59.3460 29.9379 176.8805 91 R 3.9445 7.9998 118.7652 59.3313 29.8888 177.3879 92 R 4.0876 7.8266 116.1929 57.0115 29.6577 176.7112 93 E 3.9656 6.1904 124.7475 58.6098 30.3603 177.6279 94 G 4.0463 8.8051 112.3321 45.6689 0.0000 172.4850 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.71 4.13 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 1.04 0.00 0.00 0.97 0.00 0.00 6 L 9.04 4.15 0.00 1.79 1.78 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.95 3.97 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.77 7.81 8 N 8.14 4.39 0.00 2.91 2.90 0.00 0.00 7.12 7.34 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 9 I 7.77 3.78 2.16 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 1.57 0.98 1.18 0.00 0.00 10 A 8.66 4.02 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.52 4.34 0.00 2.86 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 12 T 8.16 3.95 4.50 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 1.29 0.00 0.00 13 L 7.99 4.13 0.00 1.89 1.93 0.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.60 4.02 0.00 2.13 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 2.30 2.55 0.00 15 A 8.01 4.05 1.43 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 16 R 7.53 4.45 0.00 2.11 2.09 0.00 3.22 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 17 R 7.41 3.53 0.00 1.69 1.97 0.00 2.21 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 18 E 7.92 4.63 0.00 1.90 1.84 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 2.13 2.12 0.00 19 A 7.47 4.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.22 1.30 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 0.00 0.00 21 P 0.00 4.22 0.00 1.98 1.99 0.00 3.63 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 1.82 1.88 0.00 22 Q 7.85 4.34 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.93 4.23 0.00 3.81 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 24 S 7.49 4.62 0.00 3.91 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 25 Y 8.79 4.15 0.00 3.08 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 26 V 7.98 3.15 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 0.79 0.00 0.00 1.19 0.00 0.00 27 A 7.95 4.20 1.53 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 28 S 7.86 4.19 0.00 4.11 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 29 L 7.60 3.75 0.00 1.34 1.27 0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.40 4.52 0.00 3.25 3.10 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 31 H 8.22 4.45 0.00 3.29 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.97 4.12 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.65 7.81 33 G 8.20 3.73 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 0.00 0.00 0.00 34 E 8.84 3.11 0.00 1.90 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 2.28 2.29 0.00 35 D 8.04 4.28 0.00 2.76 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 36 A 7.94 3.94 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 37 I 7.31 3.70 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.80 0.00 0.00 38 L 8.10 4.02 0.00 1.77 1.69 0.90 1.30 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 39 K 8.28 3.90 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 40 K 7.60 3.86 0.00 1.85 1.74 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.09 1.20 7.81 41 V 7.82 3.58 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 0.98 0.00 0.00 1.00 0.00 0.00 42 A 8.20 3.98 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 43 E 8.45 3.86 0.00 2.15 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 0.00 2.31 2.36 0.00 44 E 8.58 3.96 0.00 2.05 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 0.00 2.59 2.57 0.00 45 A 8.02 4.02 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 46 A 7.91 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.02 0.00 2.10 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 0.00 2.35 2.37 0.00 48 T 7.88 4.05 4.47 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 0.00 0.00 0.00 1.23 0.00 0.00 49 L 7.50 4.12 0.00 1.90 1.68 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 7.88 4.29 1.34 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 0.00 0.00 0.00 52 S 8.22 4.09 0.00 3.88 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 53 K 8.08 3.94 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.52 0.00 2.72 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 55 K 7.76 3.86 0.00 1.90 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.53 4.65 0.00 2.67 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 57 K 8.15 3.82 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 58 L 7.91 4.01 0.00 1.72 1.70 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.37 4.28 0.00 3.45 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 3.84 0.00 1.77 1.81 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.43 3.50 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 0.86 0.00 0.00 0.91 0.00 0.00 62 R 7.75 3.88 0.00 1.96 1.93 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 63 E 8.29 3.90 0.00 2.00 1.92 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 2.23 2.21 0.00 64 V 8.08 3.63 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 0.65 0.00 0.00 0.94 0.00 0.00 65 A 7.77 3.68 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 66 D 8.07 4.48 0.00 3.03 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 67 L 8.53 4.07 0.00 1.95 1.98 1.05 1.19 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 W 8.55 4.39 0.00 3.44 3.36 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 69 F 8.67 4.39 0.00 3.10 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 70 H 8.67 4.18 0.00 3.37 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.96 4.20 4.50 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 1.16 0.00 0.00 *73 V 7.75 3.86 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 0.41 0.00 0.00 0.18 0.00 0.00 74 L 8.12 3.96 0.00 1.88 1.91 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.18 4.07 0.00 1.73 1.74 0.89 0.96 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 76 T 8.00 4.05 4.65 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 0.00 0.00 0.00 1.16 0.00 0.00 77 Y 8.12 4.05 0.00 3.30 3.23 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 78 H 7.82 4.85 0.00 3.37 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.70 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 80 L 7.76 4.91 0.00 1.70 1.75 0.93 0.65 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 81 R 8.94 4.57 0.00 1.95 1.97 0.00 3.03 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 82 P 0.00 4.09 0.00 2.20 2.13 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 83 E 8.28 3.91 0.00 1.91 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 0.00 2.33 2.50 0.00 84 D 8.14 4.50 0.00 2.72 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 85 V 7.55 3.72 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 0.86 0.00 0.00 0.86 0.00 0.00 86 V 7.77 3.78 2.18 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 1.00 0.00 0.00 0.94 0.00 0.00 *88 E 8.14 4.21 0.00 2.16 2.15 0.00 0.00 0.00 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 2.37 0.00 89 L 8.03 4.04 0.00 1.90 1.68 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.23 4.27 0.00 3.10 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.00 3.94 0.00 1.80 2.06 0.00 3.26 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 92 R 7.83 4.09 0.00 2.03 1.74 0.00 3.20 0.00 0.00 3.21 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 93 E 6.19 3.97 0.00 2.00 1.93 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 2.36 2.31 0.00 94 G 8.81 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.