NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7300 8.3044 120.6227 55.4380 33.1573 173.6990 2 F 4.1208 9.0511 129.5734 56.6522 40.7315 172.2360 3 Q 4.8902 8.7554 128.1496 54.3477 31.9756 173.8545 4 Q 4.3779 9.1144 125.1925 54.0014 32.2992 174.5105 5 E 4.4849 8.8892 126.7045 55.7062 29.9630 175.7835 6 V 4.6431 8.8970 121.4921 59.6028 35.1722 175.0563 7 T 4.7428 8.3182 114.2990 59.9314 70.3961 174.3224 8 I 3.9209 8.1616 128.0401 61.2900 37.0586 176.7235 9 T 4.1225 8.3897 115.7952 62.4199 70.1660 175.4397 10 A 4.0827 7.8279 125.9644 51.4989 19.2478 175.7408 11 P 4.3722 0.0000 0.0000 65.7575 31.6833 178.6701 12 N 4.4447 8.0817 113.8402 54.1125 38.5361 175.7450 13 G 4.0580 7.4693 103.4735 44.9665 0.0000 174.4664 14 L 4.8858 8.5194 127.6027 53.1528 44.1376 176.0496 *16 T 4.2707 8.4343 107.3672 62.7050 70.7664 176.1641 17 R 4.0442 7.8603 120.5166 58.0435 30.5407 176.9303 18 P 4.2763 0.0000 0.0000 65.2870 31.1851 178.3654 19 A 3.9049 8.4388 119.9824 55.2760 18.2833 179.5367 20 A 3.9218 8.0115 119.0981 55.3626 18.3431 179.8649 21 Q 3.9526 8.5093 116.9733 59.0709 28.8218 178.7100 22 F 4.0739 8.7992 122.1106 61.2264 39.3300 177.1783 23 V 3.8545 8.2469 119.5085 65.3783 31.1244 177.6507 24 K 3.8139 7.9159 117.8013 59.6729 32.2615 177.9300 25 E 3.9777 8.4277 119.1896 59.2513 29.6488 178.5134 26 A 4.2727 8.5910 121.1846 55.2823 18.2240 179.6878 27 K 4.1131 8.4581 116.4825 59.2468 32.1188 179.3602 28 G 3.3567 7.8612 105.1297 45.7270 0.0000 173.6063 29 F 4.8658 6.9566 118.9416 55.9027 40.7697 176.2633 30 T 4.0415 9.2619 115.3123 64.6832 68.8001 175.5908 31 S 4.2118 8.3059 115.4872 57.8816 63.3976 173.4361 32 E 4.3986 8.3150 121.8683 54.0726 29.9109 175.4186 33 I 4.5700 8.5164 128.0773 61.4393 38.3377 175.1977 34 T 4.7486 8.5238 118.7882 60.4452 70.7792 173.8749 35 V 4.6655 8.9540 127.8308 61.6460 33.1596 174.6470 36 T 4.8574 8.7145 126.7468 62.3519 69.7999 174.1527 37 S 4.6883 8.6660 122.0237 56.8493 64.9025 174.1870 38 N 3.9743 9.6891 124.2900 53.8655 35.7867 174.3210 39 G 4.1268 8.0321 110.6534 46.6009 0.0000 172.6596 40 K 4.2116 7.8005 119.6444 56.5483 30.9824 175.6309 41 S 4.8801 8.4456 118.9730 58.0202 63.1053 172.6699 42 A 4.5843 8.7516 127.9685 49.7409 21.2464 175.2987 43 S 4.5502 8.8514 117.5262 58.7990 62.3195 174.3440 44 A 4.1132 9.2426 131.5461 54.9149 18.6850 179.5352 45 K 3.8716 8.3348 115.4297 58.6528 32.6421 176.3496 46 S 4.4491 7.9326 114.1143 56.9715 61.7851 173.7483 47 L 3.4198 7.6514 127.9742 58.9969 43.0286 178.8969 48 F 4.3954 7.6889 117.2499 60.2504 38.9353 177.9552 49 K 4.0080 7.6995 117.8111 59.3706 32.1695 178.8329 50 L 4.0668 7.8218 119.9808 58.3710 41.9762 178.5772 51 Q 4.0591 7.8149 116.6828 58.3256 28.5969 177.5986 52 T 4.5702 7.5398 112.3985 61.6199 67.8838 174.9588 53 L 3.9436 8.1037 123.7611 58.5224 42.0823 177.3489 54 G 4.1806 7.8980 109.4308 45.6469 0.0000 171.7268 55 L 4.6292 8.0969 124.6762 52.7887 42.8224 174.7109 56 T 4.9450 8.9690 118.4849 59.4396 72.2081 171.7063 57 Q 4.2081 8.0418 123.5040 58.7837 28.5805 174.9343 58 G 4.1053 9.1242 116.1813 45.8690 0.0000 173.2996 59 T 3.8630 7.6132 110.1347 61.9734 69.5390 173.9379 60 V 4.3350 8.3286 127.2404 62.2279 32.7546 175.4771 61 V 4.5237 8.9179 120.9836 59.9036 35.2378 175.0538 62 T 4.6085 8.9976 124.1190 62.7310 69.2530 174.5313 63 I 4.4223 8.8147 129.8526 60.8834 38.2747 175.4518 64 S 5.3847 9.0129 123.4846 56.6805 66.3198 173.4713 65 A 4.9754 9.1133 124.3966 50.4370 22.8024 174.6381 66 E 4.9304 9.7249 121.6553 53.7409 32.6498 176.3262 67 G 3.7622 8.7041 112.9525 45.0790 0.0000 171.3563 68 E 4.0453 8.3044 119.3995 59.6373 29.8318 178.1765 69 D 4.7512 7.8263 117.0169 53.5190 40.0406 178.6471 70 E 3.8816 8.4319 119.6296 60.9013 29.3033 178.0440 71 Q 2.8411 7.7299 118.7858 58.0297 28.5685 178.4980 72 K 3.7213 7.6506 119.7912 58.7509 32.1928 178.8420 73 A 2.5800 7.6476 121.3020 54.5586 18.0911 179.7334 74 V 3.4292 7.0272 116.2044 66.0821 31.6772 177.4212 75 E 3.8596 7.7524 118.9319 59.7916 29.3102 178.3892 76 H 4.1547 8.1826 117.8514 59.3727 29.9892 177.2529 77 L 3.5476 7.8086 120.7520 57.3521 41.2242 179.6180 78 V 3.6418 8.0801 118.6417 66.0038 31.4647 178.0817 79 K 3.8806 8.0060 118.0724 59.4963 32.0414 178.5268 80 L 3.8374 7.9224 120.5420 58.7749 41.6532 178.6877 81 M 4.1477 8.0198 116.4874 58.8539 32.3369 177.9214 82 A 4.1583 8.2792 120.0131 54.8035 18.5838 178.8746 83 E 4.1608 8.2407 116.3545 57.5704 30.2935 177.4408 84 L 4.0353 7.1118 117.2856 55.0789 42.4207 177.1351 85 E 4.1576 8.6684 119.7795 56.8207 29.4099 176.9284 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 1 M 8.30 4.73 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 F 9.05 4.12 0.00 3.35 2.90 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 3 Q 8.76 4.89 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.56 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 4 Q 9.11 4.38 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 5 E 8.89 4.48 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 2.27 2.33 0.00 6 V 8.90 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.05 0.00 0.00 7 T 8.32 4.74 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 8 I 8.16 3.92 2.05 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 1.32 0.52 0.90 0.00 0.00 9 T 8.39 4.12 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 1.22 0.00 0.00 10 A 7.83 4.08 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 11 P 0.00 4.37 0.00 2.19 2.12 0.00 3.60 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 2.12 2.09 0.00 12 N 8.08 4.44 0.00 2.81 2.95 0.00 0.00 6.21 7.00 0.00 0.00 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 G 7.47 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.52 4.89 0.00 1.58 1.59 0.54 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *16 T 8.43 4.27 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 1.29 0.00 0.00 17 R 7.86 4.04 0.00 1.85 2.01 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 18 P 0.00 4.28 0.00 2.31 2.14 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 19 A 8.44 3.90 1.32 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 0.00 0.00 0.00 0.00 0.00 20 A 8.01 3.92 1.37 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 0.00 0.00 21 Q 8.51 3.95 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 22 F 8.80 4.07 0.00 3.18 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 23 V 8.25 3.85 2.27 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 1.21 0.00 0.00 1.12 0.00 0.00 24 K 7.92 3.81 0.00 1.85 2.06 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.59 7.81 25 E 8.43 3.98 0.00 2.22 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 2.42 0.00 26 A 8.59 4.27 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 27 K 8.46 4.11 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.65 7.81 28 G 7.86 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 0.00 0.00 0.00 29 F 6.96 4.87 0.00 3.22 3.14 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 0.00 0.00 0.00 0.00 30 T 9.26 4.04 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 31 S 8.31 4.21 0.00 4.10 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 32 E 8.32 4.40 0.00 1.95 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 2.21 2.33 0.00 33 I 8.52 4.57 1.98 0.00 0.00 0.79 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 1.93 1.03 0.00 0.00 34 T 8.52 4.75 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 1.24 0.00 0.00 35 V 8.95 4.67 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 0.96 0.00 0.00 0.99 0.00 0.00 36 T 8.71 4.86 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 37 S 8.67 4.69 0.00 3.81 3.68 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 38 N 9.69 3.97 0.00 3.05 3.00 0.00 0.00 6.20 6.91 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 39 G 8.03 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.80 4.21 0.00 1.89 1.79 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 41 S 8.45 4.88 0.00 3.76 3.87 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 0.00 0.00 0.00 42 A 8.75 4.58 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 43 S 8.85 4.55 0.00 3.95 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 44 A 9.24 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 3.87 0.00 1.79 1.90 0.00 1.94 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 46 S 7.93 4.45 0.00 3.96 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 47 L 7.65 3.42 0.00 1.53 1.03 0.73 0.33 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 48 F 7.69 4.40 0.00 3.16 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 49 K 7.70 4.01 0.00 2.06 1.91 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.64 7.81 50 L 7.82 4.07 0.00 1.76 1.64 0.80 0.81 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 51 Q 7.81 4.06 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.12 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 52 T 7.54 4.57 4.30 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 1.34 0.00 0.00 53 L 8.10 3.94 0.00 1.79 1.73 0.95 0.95 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 54 G 7.90 4.18 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 0.00 55 L 8.10 4.63 0.00 1.50 1.48 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.97 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 57 Q 8.04 4.21 0.00 2.46 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 5.49 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 58 G 9.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 3.86 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 1.20 0.00 0.00 60 V 8.33 4.34 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 0.79 0.00 0.00 0.97 0.00 0.00 61 V 8.92 4.52 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 0.66 0.00 0.00 0.93 0.00 0.00 62 T 9.00 4.61 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 1.20 0.00 0.00 63 I 8.81 4.42 1.96 0.00 0.00 1.11 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 0.76 1.02 0.00 0.00 64 S 9.01 5.38 0.00 3.87 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 65 A 9.11 4.98 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 66 E 9.72 4.93 0.00 1.95 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 2.19 2.31 0.00 67 G 8.70 3.76 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 0.00 0.00 0.00 68 E 8.30 4.05 0.00 1.99 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 0.00 2.33 2.26 0.00 69 D 7.83 4.75 0.00 3.06 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 70 E 8.43 3.88 0.00 2.41 2.44 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 2.50 2.37 0.00 71 Q 7.73 2.84 0.00 1.33 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 72 K 7.65 3.72 0.00 1.84 1.83 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 73 A 7.65 2.58 0.69 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 0.00 0.00 74 V 7.03 3.43 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 1.35 0.00 0.00 1.09 0.00 0.00 75 E 7.75 3.86 0.00 1.97 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 2.29 0.00 76 H 8.18 4.15 0.00 3.28 3.27 0.00 5.84 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 77 L 7.81 3.55 0.00 1.76 1.13 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.08 3.64 2.26 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 1.16 0.00 0.00 1.05 0.00 0.00 79 K 8.01 3.88 0.00 1.98 2.02 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.70 7.81 80 L 7.92 3.84 0.00 1.60 1.70 0.87 0.88 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 81 M 8.02 4.15 0.00 2.30 2.60 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.82 0.00 82 A 8.28 4.16 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 83 E 8.24 4.16 0.00 2.02 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 0.00 2.32 2.45 0.00 84 L 7.11 4.04 0.00 1.70 1.66 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.67 4.16 0.00 1.97 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 2.32 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.