NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2662 8.2649 123.5702 51.8504 20.0162 175.7165 5 F 4.4627 8.4098 117.3640 54.9057 39.9889 174.0190 6 K 4.8217 10.0090 123.9682 53.9063 36.4094 173.6945 7 P 4.5797 0.0000 0.0000 64.5589 31.5161 177.0228 8 G 4.0632 9.1993 112.2776 44.9227 0.0000 173.5307 9 D 4.5783 8.2254 120.7419 54.6941 42.1313 175.3646 10 L 5.0744 8.6238 122.5299 53.6474 43.9848 175.9597 11 V 5.2146 8.8398 115.5577 60.1886 37.1679 173.6676 12 F 5.3259 9.7751 120.7048 56.1760 41.0567 175.0136 13 A 5.3832 9.6474 125.8576 50.1166 21.4940 174.8962 14 K 4.9026 9.3515 124.8942 55.1281 33.7633 175.6999 15 M 4.9423 8.5732 125.8788 52.7604 35.6131 174.8454 16 K 4.1285 8.5587 122.6978 58.1620 32.7083 177.3008 17 G 3.7073 9.4039 114.2738 45.2123 0.0000 172.5385 18 Y 4.8674 7.3478 115.7022 54.9640 41.6511 173.6282 19 P 4.4614 0.0000 0.0000 62.6537 32.0441 175.7004 20 H 4.1479 8.6727 116.2768 56.6277 29.0654 174.3943 21 W 5.1813 9.3115 133.6714 54.5095 33.6350 172.9316 22 P 4.4462 0.0000 0.0000 63.5040 31.6838 175.0441 23 A 4.7527 9.0097 124.8413 50.9839 23.3892 174.5077 24 R 5.0700 8.4221 114.8280 54.4204 33.7778 174.5761 25 I 4.3633 8.4732 121.4233 61.2653 38.1172 175.7491 26 D 4.8186 8.9580 127.7021 53.5866 42.5929 176.7484 27 D 4.6828 8.4608 121.2054 52.2954 39.9173 173.2107 *35 P 2.9700 0.0000 0.0000 60.4910 32.8193 175.6774 36 P 4.2370 0.0000 0.0000 61.4253 31.9848 174.0552 37 P 4.2026 0.0000 0.0000 64.7427 31.5344 175.4129 38 N 4.0795 8.6644 118.2813 54.1463 37.5479 173.2745 39 K 4.9136 7.5259 113.1313 54.2390 35.6909 175.0965 40 Y 4.9395 8.8874 119.4579 55.3637 42.0458 173.2635 41 P 5.0784 0.0000 0.0000 62.9645 33.1052 174.8618 42 I 4.7095 8.7928 125.9000 59.2308 39.9279 174.2346 43 F 4.8900 8.6532 129.0287 56.3408 41.7616 174.0419 44 F 4.4338 8.1750 125.9868 56.1498 39.9759 175.8705 45 F 4.3310 8.5947 123.2093 58.8964 39.2080 175.1775 46 G 4.3641 9.8456 116.0076 46.2526 0.0000 175.4560 47 T 3.9177 7.7049 109.1659 61.6929 69.3852 174.6880 48 H 3.4295 7.4660 116.9562 56.4979 26.9278 174.5576 49 E 4.4305 7.2259 118.8611 56.0439 30.9338 175.6558 50 T 5.4855 8.3483 109.9036 59.4106 72.0881 172.5018 51 A 4.4549 8.1479 122.7108 51.2548 23.4031 174.6344 52 F 5.5302 8.5662 117.6320 56.1330 40.5673 175.7749 53 L 4.9477 8.8360 123.1321 52.8367 45.9530 176.8930 54 G 4.3382 8.5577 110.4238 43.7752 0.0000 173.1403 55 P 4.3381 0.0000 0.0000 64.7800 31.4971 179.2349 56 K 4.0001 8.1444 116.5117 59.1851 32.7628 177.0771 57 D 5.0439 8.2593 118.1945 53.8081 42.2637 175.4899 58 L 5.1553 7.6712 119.4797 52.9759 44.0028 175.8614 59 F 4.9963 9.4803 123.6262 54.7319 42.0174 173.7648 60 P 4.7720 0.0000 0.0000 63.0369 32.2280 176.4063 61 Y 4.2987 9.3498 127.3078 61.7014 39.0163 178.7671 62 D 4.1868 8.3322 116.7249 55.9922 40.1898 179.3566 63 K 4.1516 8.2728 119.8754 58.8631 32.4204 176.9790 64 C 4.6400 7.9712 113.5639 59.1676 29.2216 175.7012 65 K 4.2858 8.1365 123.7898 60.4641 31.7704 179.5552 66 D 4.3149 7.8146 121.5869 57.7802 39.8524 182.4074 67 K 4.0151 7.5135 119.0438 59.0653 32.5230 177.6516 68 Y 4.5818 7.3754 114.1009 57.6086 39.0094 176.0565 69 G 4.4033 7.7933 109.9079 45.6188 0.0000 173.9806 70 K 4.6986 7.8243 117.3506 53.2026 35.0052 175.1053 71 P 4.6955 0.0000 0.0000 63.3212 31.7950 175.1650 72 N 4.8537 8.6190 119.5878 52.3683 40.2420 174.9341 73 K 4.4168 8.3936 118.2120 54.6941 32.0641 172.6533 74 R 4.3454 8.4913 120.4476 56.0628 30.7088 176.0329 75 K 4.1286 8.8038 123.9968 58.5530 32.5673 176.5445 76 G 4.2532 9.2204 115.1247 45.7269 0.0000 175.1055 77 F 3.2524 8.5877 121.7953 61.3525 39.4231 176.9473 78 N 4.3897 8.2698 115.6687 56.1664 38.3031 176.9181 79 E 4.1339 8.3097 120.6362 59.1332 29.8147 178.8362 80 G 3.6432 8.1540 105.8486 47.8472 0.0000 175.6277 81 L 3.8327 7.8790 121.6127 57.0853 41.6074 179.3967 82 W 3.9732 8.1078 128.0732 60.4634 30.6028 177.8768 83 E 3.9577 8.5638 118.7065 59.5157 28.7138 179.3008 84 I 2.4698 6.7149 117.0851 63.3117 37.8700 177.6037 85 Q 3.9306 7.1044 118.5119 58.0956 28.7582 177.1115 86 N 4.3412 7.1028 115.3294 53.6336 40.5923 175.6005 87 N 4.8590 7.5296 117.4572 52.2247 40.3558 173.1962 88 P 4.1779 0.0000 0.0000 65.1080 32.2004 177.6828 89 H 4.8639 7.9799 113.9575 55.3541 29.0446 174.4054 90 A 4.1248 7.4648 121.8388 51.3254 18.8666 177.8645 91 S 4.0810 8.1918 114.8177 58.5208 62.5947 173.6269 92 Y 4.5057 8.2119 124.3093 57.5907 38.5300 175.8700 93 S 4.3790 7.4890 120.4416 58.5920 63.1052 173.9796 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 A 8.26 4.27 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 5 F 8.41 4.46 0.00 2.05 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 6 K 10.01 4.82 0.00 1.89 1.90 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.69 1.40 7.81 7 P 0.00 4.58 0.00 2.09 2.08 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 8 G 9.20 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 9 D 8.23 4.58 0.00 2.86 2.80 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 0.00 0.00 0.00 10 L 8.62 5.07 0.00 1.61 1.36 0.68 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.84 5.21 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 0.79 0.00 0.00 0.87 0.00 0.00 12 F 9.78 5.33 0.00 3.13 3.03 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 13 A 9.65 5.38 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 14 K 9.35 4.90 0.00 1.80 1.93 0.00 1.68 0.00 0.00 1.13 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.49 7.81 15 M 8.57 4.94 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 16 K 8.56 4.13 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 17 G 9.40 3.71 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 0.00 0.00 0.00 18 Y 7.35 4.87 0.00 3.00 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 19 P 0.00 4.46 0.00 2.10 1.95 0.00 4.24 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.78 0.00 20 H 8.67 4.15 0.00 2.29 2.78 0.00 5.84 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 21 W 9.31 5.18 0.00 3.91 3.29 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 22 P 0.00 4.45 0.00 2.09 1.88 0.00 2.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 23 A 9.01 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.42 5.07 0.00 1.95 2.05 0.00 2.82 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.51 0.00 25 I 8.47 4.36 2.05 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.99 0.00 0.00 26 D 8.96 4.82 0.00 2.67 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 27 D 8.46 4.68 0.00 2.70 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 *35 P 0.00 2.97 0.00 2.06 1.77 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 36 P 0.00 4.24 0.00 2.06 1.88 0.00 3.05 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 37 P 0.00 4.20 0.00 1.97 1.96 0.00 3.73 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 38 N 8.66 4.08 0.00 2.74 2.80 0.00 0.00 6.88 6.68 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 39 K 7.53 4.91 0.00 1.68 1.68 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.33 7.81 40 Y 8.89 4.94 0.00 2.79 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 41 P 0.00 5.08 0.00 2.20 2.49 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 42 I 8.79 4.71 1.65 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 1.23 1.35 0.03 0.00 0.00 43 F 8.65 4.89 0.00 3.23 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 44 F 8.17 4.43 0.00 2.51 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 45 F 8.59 4.33 0.00 3.07 3.04 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 46 G 9.85 4.36 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 47 T 7.70 3.92 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 1.09 0.00 0.00 48 H 7.47 3.43 0.00 3.40 3.64 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.23 4.43 0.00 1.51 1.59 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 0.00 2.10 2.01 0.00 50 T 8.35 5.49 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 1.27 0.00 0.00 51 A 8.15 4.45 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 52 F 8.57 5.53 0.00 2.97 2.87 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 53 L 8.84 4.95 0.00 1.63 1.56 1.11 0.58 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 54 G 8.56 4.34 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 0.00 55 P 0.00 4.34 0.00 2.33 2.46 0.00 3.71 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 56 K 8.14 4.00 0.00 1.88 1.98 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.52 7.81 57 D 8.26 5.04 0.00 2.81 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 58 L 7.67 5.16 0.00 1.09 1.01 0.16 0.39 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 59 F 9.48 5.00 0.00 3.34 3.31 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 60 P 0.00 4.77 0.00 2.33 2.12 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 61 Y 9.35 4.30 0.00 3.01 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 62 D 8.33 4.19 0.00 2.74 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 63 K 8.27 4.15 0.00 1.77 2.14 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 64 C 7.97 4.64 0.00 3.56 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 65 K 8.14 4.29 0.00 1.88 1.64 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.28 7.81 66 D 7.81 4.31 0.00 2.80 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 67 K 7.51 4.02 0.00 1.27 0.74 0.00 1.23 0.00 0.00 0.77 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.89 1.19 7.81 68 Y 7.38 4.58 0.00 1.43 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 0.00 0.00 0.00 69 G 7.79 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 0.00 0.00 0.00 0.00 70 K 7.82 4.70 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.41 7.81 71 P 0.00 4.70 0.00 2.08 2.16 0.00 3.67 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 2.09 2.18 0.00 72 N 8.62 4.85 0.00 2.54 2.44 0.00 0.00 6.79 6.96 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 73 K 8.39 4.42 0.00 1.79 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.02 7.81 74 R 8.49 4.35 0.00 2.05 2.27 0.00 3.34 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 75 K 8.80 4.13 0.00 1.80 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 76 G 9.22 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 0.00 0.00 0.00 0.00 77 F 8.59 3.25 0.00 2.65 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 78 N 8.27 4.39 0.00 2.85 2.93 0.00 0.00 6.69 7.66 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 79 E 8.31 4.13 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.95 0.00 80 G 8.15 3.64 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 0.00 0.00 0.00 81 L 7.88 3.83 0.00 1.83 1.72 1.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 82 W 8.11 3.97 0.00 3.45 3.35 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 0.00 0.00 0.00 0.00 83 E 8.56 3.96 0.00 1.99 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 2.79 2.83 0.00 84 I 6.71 2.47 1.01 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.02 0.52 0.00 0.00 85 Q 7.10 3.93 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 86 N 7.10 4.34 0.00 1.44 1.81 0.00 0.00 6.79 7.60 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 87 N 7.53 4.86 0.00 2.62 2.76 0.00 0.00 6.85 7.62 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 88 P 0.00 4.18 0.00 1.96 1.88 0.00 3.60 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 89 H 7.98 4.86 0.00 3.16 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.46 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.19 4.08 0.00 3.74 3.66 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 92 Y 8.21 4.51 0.00 3.04 2.97 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 93 S 7.49 4.38 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.