NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Q 4.3743 8.2033 119.1188 54.7080 30.1664 175.3586 4 E 4.1025 8.4759 120.6521 57.8092 29.2354 174.1056 5 V 3.5689 8.4475 119.6030 66.0848 32.2500 177.4576 6 E 3.9749 8.0079 117.8158 58.9939 29.0754 177.9676 7 E 4.2647 8.0783 117.5300 57.5770 29.8592 177.7527 8 T 4.1911 7.3111 114.5394 66.0869 69.9952 176.3298 9 L 3.9618 8.0106 122.0285 57.4727 41.4000 178.3150 10 K 4.2250 7.5549 117.3534 58.2411 32.5772 178.3221 11 R 4.0430 7.6145 116.8599 58.4480 30.1456 178.6353 12 I 4.0026 7.5224 119.4977 63.9503 37.5095 177.5788 13 Q 4.3192 7.4815 117.6557 57.9254 28.7818 176.8820 14 S 4.6852 7.1860 111.2098 58.2092 63.8477 173.6439 15 H 4.2478 8.7657 122.2125 56.1601 30.0634 174.3072 16 K 3.9677 8.2366 124.7013 58.7708 31.4965 176.4603 17 G 3.9375 9.2314 112.5431 45.0043 0.0000 172.0868 18 V 4.2846 7.3249 118.9760 61.6559 32.8032 175.1459 19 V 4.1565 8.8423 126.8695 64.2712 33.0222 175.3919 20 G 4.2745 7.6132 104.9245 45.3208 0.0000 171.1706 21 T 5.1352 8.0172 114.3405 62.4755 73.0498 173.3601 22 I 5.0324 8.8820 125.4337 59.7712 42.2753 174.0850 23 V 4.8499 8.7288 124.6373 61.2334 34.5248 174.5463 24 V 5.0463 8.7045 125.9095 61.3056 35.8687 173.8152 25 N 5.5505 8.5472 121.8594 51.5558 39.7173 176.2533 26 N 4.0655 10.1979 116.8667 56.1597 37.2728 175.9457 27 E 4.1554 8.0786 115.5821 56.4937 29.9652 176.8521 28 G 3.9226 8.6397 107.5544 46.0263 0.0000 173.2457 29 I 4.4922 7.7253 119.6820 58.1134 39.3386 173.9107 30 P 4.5670 0.0000 0.0000 62.8195 31.0998 175.0332 31 V 4.0656 8.4832 123.9367 62.5575 31.6603 175.2230 32 K 4.7134 7.2683 118.1013 54.9774 35.8291 174.8218 33 S 4.8335 8.1455 113.3071 57.7314 65.0207 175.0510 34 T 4.4812 8.7889 117.6740 61.5733 68.9431 174.0881 35 L 4.7439 7.3021 120.6269 52.3640 45.4288 176.7513 36 D 4.4210 8.5228 120.4881 54.1961 40.6767 177.3889 37 N 4.3027 8.8034 120.9831 56.8840 38.8717 177.1967 38 T 3.9274 7.8198 110.2276 65.0204 69.2158 176.3518 39 T 4.0874 8.1987 118.2780 66.8416 68.3910 176.8432 40 T 3.9340 8.2386 117.9224 66.7955 68.4058 176.5992 41 V 3.6625 8.0402 120.0774 66.8736 31.6773 177.7762 42 Q 3.7312 8.0458 116.3087 59.5954 28.5296 179.4334 43 Y 3.8990 8.2758 116.3577 61.2048 38.2242 178.2663 44 A 4.1354 7.8040 120.3769 55.5553 18.5380 179.5072 45 G 3.7261 8.0736 103.5402 48.2470 0.0000 175.7101 46 L 3.9623 8.0012 121.6940 57.5588 41.8083 179.5916 47 M 4.1275 8.4740 118.9972 58.3742 31.8025 178.7693 48 S 4.0928 8.2607 113.2383 61.4843 62.5618 176.0450 49 Q 3.9617 7.9275 120.3016 58.9812 28.4831 178.4180 50 L 3.8966 8.3422 121.2623 58.5143 41.9933 178.9313 51 A 4.0129 8.5645 120.5523 55.5669 18.1674 178.8941 52 D 4.2870 8.4082 117.4366 57.1605 40.7872 178.4917 53 K 3.7678 8.3738 119.4886 59.9759 32.2508 178.2089 54 A 4.2606 8.1282 120.4455 55.7032 18.3949 179.5328 55 R 3.9860 8.2541 115.8744 59.7080 30.1990 179.5999 56 S 4.0996 8.3171 114.8857 61.4108 63.0136 176.3871 57 V 3.5483 8.5260 122.2453 66.3976 31.0260 178.1750 58 V 3.6173 8.3403 117.8039 66.2019 31.1057 178.2059 59 R 4.1994 7.6218 117.8947 58.4925 29.9099 178.1249 60 D 4.5893 7.7295 117.5488 56.4129 41.2491 178.5444 61 L 4.2390 7.9191 118.8715 56.3704 41.7640 177.0125 62 D 4.3411 7.2034 114.9375 52.9778 44.5784 174.6574 63 P 4.3785 0.0000 0.0000 65.0955 31.6568 177.0880 64 S 4.6154 9.2388 113.1538 57.9015 62.9829 173.1347 65 N 5.0689 7.8996 118.0689 52.1807 41.3269 173.2090 66 D 4.8417 8.3508 122.9465 52.2759 44.3099 175.4165 67 M 4.2455 8.7599 123.9879 55.9266 32.8878 175.6072 68 T 4.5235 8.2316 113.6852 62.3028 71.0410 174.2380 69 F 5.1489 7.7192 121.1499 57.1994 42.4088 172.9516 70 L 4.8515 9.0289 127.6530 53.3172 45.8112 175.3409 71 R 4.9472 8.1135 119.9501 55.1369 32.3197 174.2451 72 V 4.3739 8.6511 117.3603 59.3631 34.2528 174.7529 73 R 4.7893 8.5865 125.3958 54.7562 31.3439 175.7391 74 S 4.7208 9.0777 122.7974 56.6444 65.0987 174.3963 75 K 4.1450 8.4212 119.9594 59.6961 31.8664 179.1627 76 K 4.0855 7.9175 117.3145 59.1210 32.4479 175.7233 77 H 4.5701 7.0683 112.1245 55.3812 31.5950 172.3070 78 E 5.1697 8.7884 118.8574 54.5922 32.6761 174.5287 79 I 5.0330 8.8640 127.6601 59.8421 39.6936 174.6439 80 M 5.2090 9.0648 123.5622 53.7761 35.3067 175.2980 81 V 4.7103 8.7195 119.2399 62.2976 34.8167 173.1027 82 A 5.0861 8.9502 132.2393 50.0690 20.0821 173.4631 83 P 5.0607 0.0000 0.0000 61.6832 32.8223 176.5374 84 D 4.7320 8.6167 124.3664 52.6470 41.9213 173.5274 85 K 4.5901 9.5106 122.1181 56.1298 30.4499 177.7415 86 D 4.6712 7.5749 112.9196 52.8762 43.5517 175.0426 87 F 5.8697 8.0997 117.3162 55.5398 43.1494 174.1565 88 I 5.0542 9.1068 115.6073 59.1615 41.3609 173.7938 89 L 4.9176 8.7783 128.0422 53.7913 43.4528 174.9587 90 I 4.9812 8.7037 128.7076 60.2350 39.2512 175.5569 91 V 4.7926 8.7989 125.2497 60.2340 35.0300 174.0491 92 I 4.7405 8.2201 124.8503 60.1609 38.9479 174.5945 93 Q 4.9394 9.1779 127.0453 54.5382 33.0459 174.0373 94 N 5.0500 9.5721 123.1010 50.8825 38.6836 173.2420 95 P 4.4756 0.0000 0.0000 63.2107 31.8677 176.2939 96 T 4.4826 7.9687 114.0058 62.1261 67.2851 173.9539 *97 D 4.4530 8.2138 124.1368 53.3133 40.5341 177.3911 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 *3 Q 8.20 4.37 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 4 E 8.48 4.10 0.00 2.07 2.03 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 2.39 2.27 0.00 5 V 8.45 3.57 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 1.10 0.00 0.00 0.89 0.00 0.00 6 E 8.01 3.97 0.00 2.08 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 2.37 2.39 0.00 7 E 8.08 4.26 0.00 1.97 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 0.00 2.29 2.33 0.00 8 T 7.31 4.19 4.38 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 1.18 0.00 0.00 9 L 8.01 3.96 0.00 1.86 1.65 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.55 4.23 0.00 1.97 1.79 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.44 7.81 11 R 7.61 4.04 0.00 1.95 1.97 0.00 3.14 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 12 I 7.52 4.00 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.90 0.00 0.00 13 Q 7.48 4.32 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 14 S 7.19 4.69 0.00 4.02 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 15 H 8.77 4.25 0.00 3.17 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.24 3.97 0.00 1.59 1.69 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 17 G 9.23 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 18 V 7.32 4.28 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 0.84 0.00 0.00 1.08 0.00 0.00 19 V 8.84 4.16 2.16 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 0.76 0.00 0.00 0.93 0.00 0.00 20 G 7.61 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 0.00 0.00 0.00 0.00 21 T 8.02 5.14 4.20 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 1.18 0.00 0.00 22 I 8.88 5.03 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.64 0.91 0.00 0.00 23 V 8.73 4.85 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 0.77 0.00 0.00 0.86 0.00 0.00 24 V 8.70 5.05 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 1.12 0.00 0.00 0.98 0.00 0.00 25 N 8.55 5.55 0.00 2.86 3.27 0.00 0.00 7.08 7.93 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 26 N 10.20 4.07 0.00 2.81 3.10 0.00 0.00 7.00 7.54 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 27 E 8.08 4.16 0.00 1.99 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 2.30 2.29 0.00 28 G 8.64 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 0.00 0.00 0.00 29 I 7.73 4.49 2.08 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 1.32 1.78 0.94 0.00 0.00 30 P 0.00 4.57 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 31 V 8.48 4.07 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 0.68 0.00 0.00 1.01 0.00 0.00 32 K 7.27 4.71 0.00 1.65 1.61 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.36 7.81 33 S 8.15 4.83 0.00 3.79 3.65 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 0.00 34 T 8.79 4.48 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 1.28 0.00 0.00 35 L 7.30 4.74 0.00 1.48 1.50 0.59 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.52 4.42 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.80 4.30 0.00 2.86 2.86 0.00 0.00 6.96 7.22 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 38 T 7.82 3.93 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 1.22 0.00 0.00 39 T 8.20 4.09 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 1.35 0.00 0.00 40 T 8.24 3.93 4.40 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 1.22 0.00 0.00 41 V 8.04 3.66 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 1.06 0.00 0.00 1.00 0.00 0.00 42 Q 8.05 3.73 0.00 2.53 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 43 Y 8.28 3.90 0.00 3.05 3.05 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 44 A 7.80 4.14 1.46 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 0.00 0.00 45 G 8.07 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 46 L 8.00 3.96 0.00 1.64 1.67 0.81 0.72 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 47 M 8.47 4.13 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.97 0.00 48 S 8.26 4.09 0.00 4.26 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 49 Q 7.93 3.96 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 50 L 8.34 3.90 0.00 1.79 1.85 0.91 1.00 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 51 A 8.56 4.01 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 52 D 8.41 4.29 0.00 2.98 2.70 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 53 K 8.37 3.77 0.00 1.86 1.97 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 54 A 8.13 4.26 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.25 3.99 0.00 2.25 2.03 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 56 S 8.32 4.10 0.00 4.07 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 57 V 8.53 3.55 2.23 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 0.99 0.00 0.00 0.96 0.00 0.00 58 V 8.34 3.62 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 0.99 0.00 0.00 0.94 0.00 0.00 59 R 7.62 4.20 0.00 2.09 1.98 0.00 3.33 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 60 D 7.73 4.59 0.00 2.67 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 61 L 7.92 4.24 0.00 1.77 1.73 0.92 0.79 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 62 D 7.20 4.34 0.00 2.58 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 63 P 0.00 4.38 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 64 S 9.24 4.62 0.00 3.89 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 65 N 7.90 5.07 0.00 2.64 2.78 0.00 0.00 6.91 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 66 D 8.35 4.84 0.00 2.66 2.52 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 0.00 67 M 8.76 4.25 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 68 T 8.23 4.52 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 1.26 0.00 0.00 69 F 7.72 5.15 0.00 2.85 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 70 L 9.03 4.85 0.00 1.73 1.44 0.86 0.59 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 71 R 8.11 4.95 0.00 1.89 1.52 0.00 2.21 0.00 0.00 2.64 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 72 V 8.65 4.37 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 0.70 0.00 0.00 0.94 0.00 0.00 73 R 8.59 4.79 0.00 1.74 1.81 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 74 S 9.08 4.72 0.00 3.78 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 75 K 8.42 4.15 0.00 1.72 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 76 K 7.92 4.09 0.00 1.54 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 77 H 7.07 4.57 0.00 3.43 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.79 5.17 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 79 I 8.86 5.03 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.99 0.00 0.00 80 M 9.06 5.21 0.00 2.12 2.53 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 81 V 8.72 4.71 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 0.94 0.00 0.00 0.99 0.00 0.00 82 A 8.95 5.09 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 83 P 0.00 5.06 0.00 2.12 2.12 0.00 3.98 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 84 D 8.62 4.73 0.00 2.65 2.62 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 0.00 0.00 0.00 85 K 9.51 4.59 0.00 1.80 2.15 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.37 7.81 86 D 7.57 4.67 0.00 1.91 2.50 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 87 F 8.10 5.87 0.00 2.98 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 88 I 9.11 5.05 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.97 0.00 0.00 89 L 8.78 4.92 0.00 1.77 1.61 0.90 0.68 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 90 I 8.70 4.98 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.41 0.96 0.00 0.00 91 V 8.80 4.79 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 0.94 0.00 0.00 0.95 0.00 0.00 92 I 8.22 4.74 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.74 0.00 0.00 93 Q 9.18 4.94 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 94 N 9.57 5.05 0.00 2.62 2.78 0.00 0.00 6.95 7.90 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 95 P 0.00 4.48 0.00 2.05 2.07 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 96 T 7.97 4.48 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 1.22 0.00 0.00 *97 D 8.21 4.45 0.00 2.48 2.47 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 0.00 * Residues marked with a * may have inaccurate shift predictions.