NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4474 8.3193 115.4132 58.1233 64.6144 173.7071 3 M 4.0466 8.1255 118.7589 55.6922 31.9711 174.1068 4 K 4.4260 9.1378 123.3567 55.3003 34.6253 177.7371 5 T 4.0844 8.2358 119.5794 62.8905 69.0583 174.4045 6 L 4.1050 8.3992 128.7135 54.1645 42.7170 174.9019 7 P 4.4175 0.0000 0.0000 62.3005 31.9905 175.9928 8 K 4.2488 8.4108 121.3524 55.8501 32.6550 176.4908 9 E 4.5553 8.3596 124.0951 54.3753 32.5588 174.5462 10 R 3.8459 8.5735 126.6373 56.4555 30.7048 175.2271 11 R 4.5580 7.7619 121.8069 54.5440 33.7151 175.0116 12 F 4.8538 8.2537 116.0601 57.1973 41.0817 176.9030 13 E 3.6205 8.4569 120.6408 57.1104 27.2942 174.8833 14 T 3.9128 8.3422 121.9928 66.2445 68.9919 174.4964 15 F 4.4855 9.0212 123.5620 57.8855 36.9731 176.1123 16 S 4.6128 8.1883 113.9983 59.4026 63.1072 174.2706 17 Y 4.2192 8.0575 117.6481 58.1910 38.6747 175.6698 18 L 4.5145 7.7070 120.3382 52.5736 42.8653 174.8634 19 P 4.3071 0.0000 0.0000 62.2812 31.5531 174.4613 20 P 4.2285 0.0000 0.0000 62.9289 31.7698 176.0240 21 L 4.2213 8.3718 122.6527 54.3151 42.1014 177.9762 22 S 4.3521 9.0479 119.5708 58.3434 65.1078 175.2334 23 D 4.3619 8.5362 121.6180 57.2502 40.5074 179.2322 24 R 3.9999 7.8995 118.6324 59.1464 30.0560 178.7412 25 Q 3.9407 7.7596 118.1402 58.7311 28.7328 178.5377 26 I 3.6468 8.0487 121.0406 64.4148 37.0783 178.3505 27 A 4.1262 8.0665 120.9156 54.8451 18.2805 179.5551 28 A 3.9595 8.0182 119.6411 55.3632 18.5155 179.8913 29 Q 4.1021 7.9595 116.5041 59.1222 28.8006 178.8075 30 I 4.0258 8.0310 120.9274 64.1495 37.0569 178.2839 31 E 3.9831 8.6151 119.9737 59.5175 29.2586 178.4585 32 Y 4.1138 8.0084 119.2937 61.1562 38.8076 177.8979 33 M 4.0192 8.1148 118.9038 58.7885 32.3046 178.6465 34 I 3.6688 7.7243 119.3573 64.7022 37.1281 178.4295 35 E 3.8840 7.9546 117.8758 59.4627 29.3888 179.2118 36 Q 3.6522 7.5637 116.8951 56.7794 28.5564 177.4404 37 G 3.7966 7.1342 107.1935 44.8388 0.0000 173.5580 38 F 4.8757 7.1136 117.8214 57.6766 40.0784 174.6486 39 H 4.9036 8.9117 119.3921 53.9965 30.2861 173.2743 40 P 4.9956 0.0000 0.0000 62.6482 32.8433 175.2126 41 L 4.9474 8.9051 124.4854 53.6494 45.9249 174.6303 42 I 4.9308 8.5789 126.4472 59.9991 39.3235 174.4224 43 E 5.5275 9.2397 125.8149 54.5748 33.6286 174.8572 44 F 5.6976 8.9008 116.7936 55.5622 41.9398 173.0853 45 N 4.7083 8.5861 117.3916 52.0825 41.7793 175.4324 46 E 3.9110 8.7832 124.4116 58.8342 29.8698 176.4765 47 H 5.1583 7.6588 113.7455 54.0362 32.5691 173.6142 48 S 4.6164 8.1317 114.5824 56.3517 61.6606 171.1465 49 N 4.8203 7.9575 120.4405 50.4642 39.8767 174.8139 50 P 4.4018 0.0000 0.0000 65.4815 31.5811 177.5787 51 E 3.8036 7.6363 119.4112 58.6637 29.6572 176.6990 *64 E 3.9997 7.7212 115.6412 56.2562 30.6481 175.7423 65 F 4.5211 8.2974 120.8943 58.9947 39.6128 175.6764 66 Y 4.8577 7.7258 117.5350 55.9902 39.6252 175.2837 67 W 4.7676 8.8779 124.4447 55.6758 31.9604 175.2374 68 T 4.3068 8.0535 117.5604 62.4628 69.4943 174.5769 69 M 4.4472 8.4758 126.3678 55.2392 33.2251 175.2063 70 W 4.8220 9.3354 135.0000 55.9014 31.3505 176.9817 71 K 3.4214 8.5104 129.1690 57.5433 30.4898 178.3016 72 L 4.8624 8.2262 126.3417 52.5765 45.1764 173.8773 73 P 4.2324 0.0000 0.0000 62.8713 31.6083 177.7704 74 L 4.3171 8.1960 123.4518 53.8310 40.0812 176.9209 75 F 4.4083 8.2952 123.1983 60.9154 39.5171 177.1983 76 D 4.7685 7.9359 120.7208 51.5290 38.1962 174.8661 77 C 4.7249 8.2661 124.1218 58.0214 34.5280 175.1663 78 K 4.6151 8.2713 132.6677 53.0574 32.3593 175.3431 79 S 4.6134 7.5500 112.5946 55.9556 64.8745 176.5994 80 P 4.3862 0.0000 0.0000 65.2040 31.0394 178.3540 81 Q 4.0062 8.0619 117.7981 58.9420 28.9842 177.6254 82 Q 4.0167 8.0819 120.6751 59.1307 29.0778 178.6123 83 V 3.6269 7.7656 118.6270 66.1762 31.7690 177.9179 84 L 4.0842 8.0684 118.5840 57.7884 41.3167 179.3402 85 D 4.4073 8.7163 119.5430 57.3413 40.7272 178.5885 86 E 4.1490 8.1585 118.8994 59.2904 29.4027 179.5404 87 V 3.4240 7.9235 118.3817 65.8987 31.6334 178.2865 88 R 3.8159 7.9805 117.7882 59.3021 29.7973 178.7214 89 E 3.8900 8.2563 119.1383 59.2663 29.5501 178.4270 90 C 2.4500 7.7436 119.1930 61.7905 31.2177 175.5623 91 R 3.6145 7.7360 119.5217 59.0891 29.5899 178.4653 92 S 4.1195 7.3923 114.5589 61.4205 62.9386 175.7438 93 E 3.8994 7.3762 120.2629 57.6933 30.7985 176.0583 94 Y 4.9323 7.2518 116.0435 55.8629 38.8546 176.6227 95 G 3.6438 7.7518 109.5027 47.6451 0.0000 174.0218 96 D 4.6621 8.0498 118.3103 54.1759 39.7949 175.0429 97 C 4.9012 7.5391 116.4585 57.9683 32.0488 173.2973 98 Y 4.4539 8.7941 118.8945 58.1716 38.8315 175.0231 99 I 5.3895 9.2446 124.2520 59.6673 41.2213 174.5461 100 R 5.0007 9.3437 125.8071 54.6516 33.8907 173.6334 101 V 4.6786 8.2978 125.9121 61.3340 33.4216 174.3350 102 A 5.1102 8.9174 129.0418 50.0548 22.5411 174.7654 103 G 4.4291 8.5587 108.1699 44.4835 0.0000 172.2830 104 F 4.7906 8.8904 125.4923 55.9562 42.5542 173.3706 105 D 5.1177 8.1579 127.2956 53.3962 41.4936 176.4902 106 N 4.9928 9.1519 123.4841 54.2035 38.5039 176.6177 107 I 3.9423 8.0545 120.2919 64.4262 37.5704 177.3270 108 K 4.1008 8.2267 117.2736 56.2113 32.7030 176.1423 109 E 4.4079 7.8850 118.3818 56.1731 28.1595 173.4039 110 C 4.5729 6.6964 114.3058 56.9060 35.8431 173.1315 111 Q 4.1569 8.3897 126.2796 56.7642 28.4195 175.5462 112 T 4.1401 8.4494 117.6842 62.2336 70.3727 175.1678 113 V 4.5648 7.0414 120.5365 61.1936 35.6454 174.5331 114 S 4.7670 8.5345 115.4619 57.7109 64.8893 174.7396 115 F 5.1097 8.0433 121.9786 55.3805 41.5753 173.9510 116 I 4.3447 8.6959 122.3059 61.8583 37.4362 176.2999 117 V 4.4984 8.6834 118.0535 61.9162 33.2329 175.7220 118 H 4.7283 8.0155 120.6498 55.1397 33.0098 172.4105 119 R 4.3939 8.2141 124.8581 53.6382 31.7816 174.5467 120 P 4.3456 0.0000 0.0000 62.3953 32.3021 176.0443 121 G 3.4616 8.0350 108.4736 47.4361 0.0000 173.6839 122 R 4.2630 8.5418 125.3381 56.6270 31.0008 175.6297 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 2 S 8.32 4.45 0.00 4.00 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 3 M 8.13 4.05 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 4 K 9.14 4.43 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 T 8.24 4.08 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 6 L 8.40 4.10 0.00 1.60 1.60 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.42 0.00 2.08 1.97 0.00 3.74 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 2.03 2.11 0.00 8 K 8.41 4.25 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 E 8.36 4.56 0.00 1.84 1.70 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 2.17 2.29 0.00 10 R 8.57 3.85 0.00 1.75 1.74 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.43 0.00 11 R 7.76 4.56 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 12 F 8.25 4.85 0.00 3.12 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 13 E 8.46 3.62 0.00 2.18 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 2.28 2.22 0.00 14 T 8.34 3.91 4.15 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 0.00 0.00 0.35 0.00 0.00 15 F 9.02 4.49 0.00 3.32 3.11 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 16 S 8.19 4.61 0.00 4.28 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 17 Y 8.06 4.22 0.00 3.02 3.13 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 18 L 7.71 4.51 0.00 1.86 1.59 0.91 0.91 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 19 P 0.00 4.31 0.00 2.16 2.07 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 20 P 0.00 4.23 0.00 2.06 2.07 0.00 3.68 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 2.04 2.15 0.00 21 L 8.37 4.22 0.00 1.59 1.49 0.46 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.05 4.35 0.00 4.01 3.98 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 23 D 8.54 4.36 0.00 2.71 2.77 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 0.00 0.00 0.00 24 R 7.90 4.00 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.76 3.94 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.05 3.65 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 1.10 0.00 0.00 27 A 8.07 4.13 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 28 A 8.02 3.96 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 29 Q 7.96 4.10 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.24 1.85 0.00 30 I 8.03 4.03 2.10 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 1.70 0.95 1.00 0.00 0.00 31 E 8.62 3.98 0.00 2.31 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 2.37 2.52 0.00 32 Y 8.01 4.11 0.00 3.14 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.11 4.02 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.97 0.00 34 I 7.72 3.67 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 0.91 0.00 0.00 35 E 7.95 3.88 0.00 1.92 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 2.31 2.48 0.00 36 Q 7.56 3.65 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.72 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 37 G 7.13 3.80 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 0.00 0.00 0.00 38 F 7.11 4.88 0.00 2.95 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 39 H 8.91 4.90 0.00 3.31 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.00 0.00 2.11 2.02 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 8.91 4.95 0.00 1.65 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.58 4.93 2.14 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 1.35 0.53 0.94 0.00 0.00 43 E 9.24 5.53 0.00 2.11 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 0.00 2.29 2.26 0.00 44 F 8.90 5.70 0.00 3.05 3.08 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 0.00 45 N 8.59 4.71 0.00 1.44 1.42 0.00 0.00 7.45 7.24 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 46 E 8.78 3.91 0.00 1.70 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 2.29 2.41 0.00 47 H 7.66 5.16 0.00 2.94 3.14 0.00 5.79 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 48 S 8.13 4.62 0.00 2.98 3.50 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 49 N 7.96 4.82 0.00 2.81 2.92 0.00 0.00 6.74 8.03 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 50 P 0.00 4.40 0.00 2.14 2.15 0.00 3.72 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 1.94 1.94 0.00 51 E 7.64 3.80 0.00 2.08 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 2.25 2.24 0.00 *64 E 7.72 4.00 0.00 2.02 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 2.17 2.23 0.00 65 F 8.30 4.52 0.00 2.32 2.13 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 66 Y 7.73 4.86 0.00 3.07 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 67 W 8.88 4.77 0.00 3.13 3.18 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 68 T 8.05 4.31 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 0.98 0.00 0.00 69 M 8.48 4.45 0.00 2.03 1.97 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 2.61 2.75 0.00 70 W 9.34 4.82 0.00 3.72 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.51 3.42 0.00 1.64 0.74 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.83 0.21 7.81 72 L 8.23 4.86 0.00 1.56 1.54 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 74 L 8.20 4.32 0.00 1.70 1.65 0.99 0.89 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 F 8.30 4.41 0.00 3.07 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 76 D 7.94 4.77 0.00 2.69 2.48 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 77 C 8.27 4.72 0.00 2.98 2.86 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 78 K 8.27 4.62 0.00 1.76 1.56 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.96 7.81 79 S 7.55 4.61 0.00 3.58 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 80 P 0.00 4.39 0.00 2.18 2.21 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 81 Q 8.06 4.01 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 82 Q 8.08 4.02 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 83 V 7.77 3.63 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 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.08 0.00 1.93 1.73 0.96 1.02 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 85 D 8.72 4.41 0.00 2.87 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 86 E 8.16 4.15 0.00 2.25 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 0.00 2.66 2.63 0.00 87 V 7.92 3.42 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 1.07 0.00 0.00 0.99 0.00 0.00 88 R 7.98 3.82 0.00 2.07 1.92 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 89 E 8.26 3.89 0.00 2.25 2.19 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 2.56 2.42 0.00 90 C 7.74 2.45 0.00 1.23 2.38 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 91 R 7.74 3.61 0.00 1.75 1.88 0.00 3.18 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 92 S 7.39 4.12 0.00 3.98 3.82 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 93 E 7.38 3.90 0.00 1.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 94 Y 7.25 4.93 0.00 2.72 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 95 G 7.75 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 96 D 8.05 4.66 0.00 2.83 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 97 C 7.54 4.90 0.00 3.15 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 98 Y 8.79 4.45 0.00 2.78 3.13 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 99 I 9.24 5.39 1.96 0.00 0.00 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 1.20 0.93 0.99 0.00 0.00 100 R 9.34 5.00 0.00 1.80 1.64 0.00 2.78 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 101 V 8.30 4.68 1.15 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 0.78 0.00 0.00 0.85 0.00 0.00 102 A 8.92 5.11 1.15 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 0.00 0.00 0.00 0.00 0.00 103 G 8.56 4.43 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 0.00 104 F 8.89 4.79 0.00 3.20 3.01 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 0.00 0.00 0.00 105 D 8.16 5.12 0.00 2.37 2.34 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 0.00 106 N 9.15 4.99 0.00 3.07 3.28 0.00 0.00 6.34 7.81 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 0.00 107 I 8.05 3.94 2.08 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 1.36 0.84 0.93 0.00 0.00 108 K 8.23 4.10 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 109 E 7.89 4.41 0.00 2.09 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 2.48 2.64 0.00 110 C 6.70 4.57 0.00 2.87 2.43 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 0.00 111 Q 8.39 4.16 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 112 T 8.45 4.14 3.59 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 0.00 0.00 0.64 0.00 0.00 113 V 7.04 4.56 2.28 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 1.37 0.00 0.00 1.17 0.00 0.00 114 S 8.53 4.77 0.00 3.75 3.58 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 0.00 115 F 8.04 5.11 0.00 3.32 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.70 4.34 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.08 0.00 0.00 117 V 8.68 4.50 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 0.84 0.00 0.00 1.01 0.00 0.00 118 H 8.02 4.73 0.00 3.14 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 4.39 0.00 1.47 1.44 0.00 3.15 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 120 P 0.00 4.35 0.00 1.88 1.90 0.00 2.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.36 0.00 121 G 8.04 3.46 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 0.00 122 R 8.54 4.26 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.