NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4145 8.3044 120.3487 54.7962 34.1126 175.2968 2 V 4.0591 7.2959 116.0579 60.5602 34.1385 169.1530 3 K 3.7767 9.6579 135.0000 55.4176 33.5852 174.6583 4 E 4.1463 8.6646 125.6161 57.0178 30.0277 176.7384 5 V 4.5069 7.7965 119.8031 59.9328 34.1998 173.8776 6 N 4.5144 8.4717 118.7926 52.8511 37.7713 175.1917 7 V 3.9025 7.9566 112.4463 60.2497 32.4555 174.8007 8 P 4.4340 0.0000 0.0000 62.6686 31.8262 176.6744 9 D 4.5298 8.7612 121.4419 56.5475 41.1376 177.0323 10 I 4.5294 7.3028 110.9108 58.8877 40.4137 176.3168 *15 V 4.3095 8.5030 120.3255 61.3806 33.1415 175.8319 16 E 4.1251 8.1033 117.7252 56.5110 29.8280 176.0189 17 V 4.5532 7.9564 112.0784 59.9239 35.3461 174.7123 18 T 4.7396 8.0761 114.1924 60.7384 70.2861 173.0241 19 E 4.6582 8.5019 120.5421 55.7691 30.7948 177.1018 20 V 3.5120 7.8682 119.5392 66.2805 31.7976 177.7885 21 M 3.1075 7.6945 117.5476 54.8710 30.9138 176.6320 22 V 4.0613 8.0286 111.4480 61.6351 32.5358 176.2370 23 K 4.5623 8.3262 117.7470 56.2338 33.2726 177.5062 24 V 3.8386 7.9051 119.8126 64.7061 31.8386 176.6995 25 G 3.9605 7.8910 105.9979 45.1466 0.0000 173.1196 26 D 4.4927 7.7449 119.1549 53.8065 41.9009 175.3570 27 K 4.6329 8.2966 124.6620 55.0146 35.0023 176.2209 28 V 4.2410 8.3239 116.1972 60.8704 34.0056 175.3525 29 A 4.0556 8.1047 121.3367 52.6121 17.3965 176.1797 30 A 4.3091 8.4426 121.1275 53.3435 21.8535 177.7923 31 E 3.5904 8.9740 119.3609 57.9282 28.4091 176.0376 32 Q 3.9856 9.0831 121.8006 57.3697 25.6532 173.6894 33 S 4.5590 7.2489 111.9200 55.2083 70.0800 174.2041 34 L 3.4190 8.2032 126.2869 53.2781 41.2387 172.5652 35 I 3.0514 8.3455 123.8944 61.7396 34.2084 173.0270 36 T 4.6309 8.1260 113.7317 59.6532 71.0942 172.4374 37 V 4.0515 7.5849 119.3857 63.2598 32.8154 175.5081 38 E 4.4786 8.1843 120.2158 54.8252 33.5809 176.6617 39 G 4.2933 7.1005 109.5305 45.4982 0.0000 170.5037 40 D 4.6026 7.6832 116.9845 51.7444 41.3663 174.8320 41 K 3.8141 8.2630 118.6655 58.2678 33.5431 177.9673 42 A 4.4194 8.3475 130.6563 52.5419 26.3000 178.9044 43 S 4.1755 9.2189 110.7071 57.7663 64.2382 174.8116 44 M 4.5961 8.2144 123.2162 54.1851 34.6461 174.1595 45 E 4.2482 8.7213 125.9269 56.4294 30.4319 176.6217 46 V 4.4883 8.0309 113.9290 59.0264 35.1127 173.6566 47 P 4.7688 0.0000 0.0000 60.7411 33.4580 174.7545 48 A 4.2975 8.1317 122.0027 51.0705 19.1873 176.2142 49 P 4.5112 0.0000 0.0000 65.3433 31.8100 176.6060 50 F 4.8635 7.2619 110.4410 54.3338 40.6839 173.6069 51 A 3.8063 8.4796 125.0015 52.5600 18.8932 177.5340 52 G 3.9205 7.2173 106.6688 45.8197 0.0000 171.9511 53 V 4.5657 8.2591 118.5783 60.8994 35.0908 175.9342 54 V 3.9895 8.7904 127.8601 63.1695 30.6612 175.1648 55 K 4.2688 8.1493 124.9210 58.2875 33.5190 177.5414 56 E 4.5155 7.5682 119.8275 54.2340 32.4908 173.6616 57 L 4.3748 8.3703 127.9423 54.4707 43.2093 175.6415 58 K 4.3814 8.0022 123.9544 56.7158 34.0067 176.8797 59 V 4.4604 7.5405 110.0453 59.4131 34.4851 174.5605 60 N 4.8905 8.2697 120.3688 51.0652 40.5199 174.7384 61 V 3.7010 8.1584 120.4367 65.0452 31.8029 176.4603 62 G 3.8610 9.0904 114.9243 45.0525 0.0000 172.6028 63 D 4.6125 7.5383 119.5648 52.0165 40.8497 176.0336 64 K 3.9686 8.5204 126.3471 57.2463 32.8608 176.4315 65 V 4.4675 8.0087 119.0738 59.9966 34.0968 175.0259 66 K 4.6486 7.9055 118.3216 54.5574 35.8951 176.3800 67 T 4.1133 8.3959 119.1918 64.8719 68.5986 174.4821 68 G 4.0211 8.9771 114.6480 45.4193 0.0000 173.5352 69 S 4.5640 7.4887 113.7839 56.9874 64.8772 173.0832 70 L 4.6698 8.0315 120.6068 53.4351 43.2215 176.2502 71 I 4.3960 8.0876 109.8448 62.4815 39.3202 174.8638 72 M 4.9368 7.4678 117.0274 53.4174 35.8864 174.0543 73 I 4.4412 7.4808 120.1278 59.7543 41.0728 175.1650 74 F 5.3213 8.7624 124.4272 55.1877 41.9765 175.3806 75 E 4.7320 8.8465 121.0037 54.4833 30.7770 173.9061 76 V 4.0617 8.4578 124.8778 60.1410 32.5098 176.0128 77 E 4.4645 8.4547 125.6693 54.4482 31.2992 176.7713 78 G 3.6575 8.2404 118.6945 46.6297 0.0000 173.7049 79 A 4.2419 8.5429 126.1098 50.8849 19.1481 177.4433 80 A 4.1028 8.2866 124.1274 51.0891 19.1002 175.9980 81 P 4.2410 0.0000 0.0000 62.9099 31.2246 176.5388 82 A 4.3343 8.2136 126.5637 51.5204 20.9096 174.1399 83 A 4.5305 8.4496 123.5211 53.2638 22.1138 175.0508 84 A 4.5461 7.9211 117.7408 52.6320 25.8253 175.3695 85 P 4.2946 0.0000 0.0000 63.4271 31.8980 175.4670 86 A 4.5846 8.4475 121.7057 52.8258 24.2341 176.1722 87 K 4.4316 7.7793 116.2551 55.0174 34.1873 174.7977 88 Q 4.5125 8.2698 122.5738 55.5073 31.1797 173.8398 89 E 4.1673 8.5947 118.0254 56.3611 29.6990 175.4876 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 4.41 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 7.30 4.06 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 0.74 0.00 0.00 0.93 0.00 0.00 3 K 9.66 3.78 0.00 1.90 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.50 7.81 4 E 8.66 4.15 0.00 1.97 1.88 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 2.32 2.37 0.00 5 V 7.80 4.51 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 0.78 0.00 0.00 0.93 0.00 0.00 6 N 8.47 4.51 0.00 2.85 2.87 0.00 0.00 6.12 7.68 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 7 V 7.96 3.90 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 0.81 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.43 0.00 2.19 1.98 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 9 D 8.76 4.53 0.00 2.64 2.73 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 10 I 7.30 4.53 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 0.91 0.00 0.00 *15 V 8.50 4.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 16 E 8.10 4.13 0.00 2.09 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 2.28 2.34 0.00 17 V 7.96 4.55 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 0.73 0.00 0.00 0.93 0.00 0.00 18 T 8.08 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 19 E 8.50 4.66 0.00 2.05 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 2.16 2.20 0.00 20 V 7.87 3.51 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 0.77 0.00 0.00 0.93 0.00 0.00 21 M 7.69 3.11 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 22 V 8.03 4.06 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 0.66 0.00 0.00 0.93 0.00 0.00 23 K 8.33 4.56 0.00 1.69 1.77 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.37 7.81 24 V 7.91 3.84 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 0.78 0.00 0.00 0.93 0.00 0.00 25 G 7.89 3.96 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 0.00 0.00 0.00 26 D 7.74 4.49 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.63 0.00 1.68 1.60 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 28 V 8.32 4.24 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 0.85 0.00 0.00 0.93 0.00 0.00 29 A 8.10 4.06 1.26 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 0.00 0.00 0.00 30 A 8.44 4.31 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 31 E 8.97 3.59 0.00 2.16 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 0.00 2.30 2.25 0.00 32 Q 9.08 3.99 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 33 S 7.25 4.56 0.00 3.92 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 34 L 8.20 3.42 0.00 1.80 1.72 0.98 0.82 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 35 I 8.35 3.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.36 0.91 0.00 0.00 36 T 8.13 4.63 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 V 7.58 4.05 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 0.81 0.00 0.00 0.93 0.00 0.00 38 E 8.18 4.48 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 39 G 7.10 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 0.00 0.00 0.00 40 D 7.68 4.60 0.00 2.73 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 41 K 8.26 3.81 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.40 7.81 42 A 8.35 4.42 1.14 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 0.00 0.00 43 S 9.22 4.18 0.00 3.99 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 44 M 8.21 4.60 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 45 E 8.72 4.25 0.00 2.00 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 2.33 0.00 46 V 8.03 4.49 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 0.83 0.00 0.00 0.94 0.00 0.00 47 P 0.00 4.77 0.00 2.16 2.04 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 48 A 8.13 4.30 1.10 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 49 P 0.00 4.51 0.00 2.53 2.34 0.00 3.75 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 2.19 2.18 0.00 50 F 7.26 4.86 0.00 3.10 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 51 A 8.48 3.81 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 52 G 7.22 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 53 V 8.26 4.57 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 0.96 0.00 0.00 0.95 0.00 0.00 54 V 8.79 3.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.05 0.00 0.00 55 K 8.15 4.27 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.34 7.81 56 E 7.57 4.52 0.00 1.94 1.74 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 2.24 2.27 0.00 57 L 8.37 4.37 0.00 1.59 1.51 0.92 0.62 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 58 K 8.00 4.38 0.00 1.52 1.97 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.34 7.81 59 V 7.54 4.46 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 0.88 0.00 0.00 0.97 0.00 0.00 60 N 8.27 4.89 0.00 2.76 2.70 0.00 0.00 6.71 7.67 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 61 V 8.16 3.70 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 0.85 0.00 0.00 0.93 0.00 0.00 62 G 9.09 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 0.00 0.00 0.00 63 D 7.54 4.61 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.52 3.97 0.00 1.90 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 65 V 8.01 4.47 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 0.78 0.00 0.00 0.93 0.00 0.00 66 K 7.91 4.65 0.00 1.64 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 67 T 8.40 4.11 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 68 G 8.98 4.02 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 0.00 0.00 0.00 69 S 7.49 4.56 0.00 3.97 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 70 L 8.03 4.67 0.00 1.61 1.62 0.92 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 71 I 8.09 4.40 1.84 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 1.41 0.91 0.91 0.00 0.00 72 M 7.47 4.94 0.00 1.37 1.63 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 73 I 7.48 4.44 1.77 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 1.17 0.87 0.91 0.00 0.00 74 F 8.76 5.32 0.00 2.96 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 75 E 8.85 4.73 0.00 1.99 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 2.24 2.26 0.00 76 V 8.46 4.06 2.31 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 0.85 0.00 0.00 1.00 0.00 0.00 77 E 8.45 4.46 0.00 2.16 1.90 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 2.19 2.28 0.00 78 G 8.24 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 0.00 0.00 0.00 79 A 8.54 4.24 1.25 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 80 A 8.29 4.10 1.24 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 0.00 0.00 0.00 81 P 0.00 4.24 0.00 2.19 2.12 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 82 A 8.21 4.33 1.23 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 0.00 0.00 83 A 8.45 4.53 1.23 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 0.00 0.00 84 A 7.92 4.55 1.24 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 0.00 0.00 0.00 85 P 0.00 4.29 0.00 2.05 2.13 0.00 3.67 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 2.03 2.10 0.00 86 A 8.45 4.58 1.23 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 0.00 0.00 87 K 7.78 4.43 0.00 1.64 1.66 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.46 7.81 88 Q 8.27 4.51 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 89 E 8.59 4.17 0.00 1.94 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 0.00 2.23 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.