NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *16 H 4.7904 8.2876 117.3779 54.0382 29.4472 173.8655 17 F 4.2299 9.0642 121.1099 56.8483 37.7308 174.8522 18 K 4.0910 7.5326 119.5068 57.8244 33.9347 178.0550 19 D 4.5175 7.5363 120.3857 53.1437 41.3806 174.3487 20 P 4.6757 0.0000 0.0000 63.3853 32.4249 175.0247 21 K 4.8563 9.2708 119.1450 55.4776 37.4746 175.1102 22 R 5.1438 9.2019 120.1544 53.8687 33.1748 175.7752 23 L 5.1987 8.6499 122.3159 53.3527 44.1076 174.6583 24 Y 4.5225 9.0755 127.0397 56.8830 40.3106 173.6375 25 C 4.1032 8.5758 128.2014 57.6830 32.3282 174.2745 26 K 3.7541 8.4854 128.6196 59.2409 31.8729 175.9528 27 N 4.2270 7.5386 116.8074 54.3423 37.8726 174.4835 28 G 3.8367 8.6841 115.1895 44.4041 0.0000 171.9933 29 G 2.8503 7.0302 106.2860 46.3314 0.0000 173.3576 30 F 4.7680 7.2696 116.6242 55.6099 42.0411 175.3627 31 F 5.1811 9.4017 121.7758 55.9295 40.4401 175.2280 32 L 4.4239 9.1912 126.6098 55.7042 43.1728 175.5916 33 R 4.9334 9.5096 126.4075 54.5531 33.3172 174.1225 34 I 4.4902 8.4596 127.0478 59.6487 38.9582 175.4506 35 H 4.3219 8.8166 125.0683 54.6526 29.3070 175.3431 36 P 4.1370 0.0000 0.0000 65.5984 31.2199 177.1090 37 D 4.5593 8.0508 114.8625 53.2493 39.8040 177.0431 38 G 3.8991 8.6750 111.6838 46.1214 0.0000 174.4891 39 R 4.5782 7.6996 118.1232 55.3846 30.4072 180.2970 40 V 5.0054 8.1802 119.9554 60.9104 34.1707 174.3992 41 D 4.7237 8.5126 125.3344 52.8469 42.4948 173.9879 42 G 4.5818 8.6228 104.9271 45.2780 0.0000 172.9079 43 V 5.0131 8.6509 112.4599 60.2776 36.0992 176.0550 44 R 3.9380 9.0806 123.4669 58.0950 30.9926 177.3192 45 E 4.1536 8.3573 116.4208 56.1105 28.9675 183.3306 46 K 3.7786 8.8504 129.8659 56.4500 31.8524 175.8514 47 S 4.4227 7.8031 111.7930 59.6134 63.2382 179.5937 48 D 4.3970 8.0375 119.7076 54.7604 41.0724 175.3133 49 P 4.4037 0.0000 0.0000 64.8785 31.7831 176.3647 50 H 4.8659 9.0300 117.2265 55.7683 28.5651 175.6227 51 I 4.6597 7.2017 111.1171 59.6545 39.2969 174.8756 52 K 4.3043 7.9027 125.9285 56.3852 32.9478 175.4356 53 L 5.1777 9.1558 127.8669 52.9184 45.7305 175.5959 54 Q 4.7837 8.8876 121.9519 54.5099 31.3209 174.4357 55 L 5.1013 8.5612 126.4921 54.2840 43.6379 176.3969 56 Q 4.6775 8.6054 121.7684 54.9986 32.8618 173.6017 57 A 4.6596 8.8523 129.9979 52.1127 19.3070 176.4162 58 E 4.3178 8.8289 123.3837 57.2060 30.8581 175.2550 59 E 4.5120 7.5720 114.4076 54.5551 32.1009 173.8354 60 R 3.8235 8.5405 119.1286 58.1625 30.0215 176.3121 61 G 4.0127 9.0931 112.3153 45.6701 0.0000 171.9806 62 V 4.8169 7.9943 120.2483 60.9881 34.2623 174.9401 63 V 5.3381 9.2194 120.3020 59.7099 36.4723 174.3430 64 S 5.4605 9.0776 116.0065 55.9140 66.3314 173.1555 65 I 4.6759 8.4308 121.9357 59.5619 39.9770 174.0457 66 K 4.6921 8.7291 129.1357 54.1291 34.8976 175.2220 67 G 3.8342 8.8183 115.7672 45.9767 0.0000 174.3347 68 V 3.6163 8.3514 126.9482 66.1898 31.8032 177.6629 69 S 4.1993 8.1111 113.4460 61.6976 62.7696 175.9002 70 A 3.9636 7.9268 120.9306 53.1067 18.3410 176.5504 71 N 4.0432 8.0920 115.6716 55.4633 38.0406 174.1561 72 R 4.8715 7.4287 113.7951 54.9830 34.9001 175.7724 73 Y 5.0053 8.8919 116.5321 56.5474 40.3775 175.5717 74 L 4.5369 9.0809 126.6091 55.6973 43.5931 175.5528 75 A 5.2074 9.2436 125.7023 50.9850 23.2940 174.5339 76 M 5.1790 8.7627 122.3470 54.3173 34.5405 176.8437 77 K 4.4575 9.1169 130.6834 54.0968 33.0389 174.8600 78 E 3.1157 8.6051 112.7936 59.8097 29.5038 176.1556 79 D 4.5053 7.9010 114.9493 53.4748 40.1023 177.0558 80 G 3.8336 8.3200 111.3291 46.2602 0.0000 174.0090 81 R 4.6145 8.0990 119.9698 55.8920 31.1576 179.4617 82 L 5.0722 6.7718 120.5354 53.2259 43.8514 175.6082 83 L 4.5992 8.5204 121.3294 55.0007 44.5704 173.4916 84 A 5.1689 8.5239 121.3605 50.2739 20.8255 175.9381 85 S 4.5815 9.4002 120.8298 57.6903 63.8969 176.1658 86 K 4.0871 8.9334 127.8505 56.7768 31.8494 177.0907 87 S 4.9336 7.6291 112.0475 55.6208 65.4739 173.8333 88 V 3.2309 7.9619 122.5591 62.9731 31.8484 175.1468 89 T 4.6729 7.6981 115.5970 59.5564 71.8236 173.9170 90 D 4.5788 8.7125 122.0993 56.7978 40.9453 177.6491 91 E 4.2805 8.0441 115.5059 55.9800 29.7079 181.8657 92 C 4.9039 7.3759 115.4703 59.5385 29.7725 172.9204 93 F 5.1853 7.0808 118.3542 55.6156 41.5973 174.4179 94 F 5.4484 9.3069 121.2656 55.5064 43.5393 174.1826 95 F 4.7371 9.8265 122.8134 57.6705 39.8014 173.7985 96 E 4.9474 9.2464 126.0996 54.7173 31.0611 175.1489 97 R 4.6226 8.4271 126.3263 54.5013 33.9825 173.4328 98 L 4.7870 8.5725 128.4060 53.9170 42.6736 176.1238 99 E 4.3706 9.1493 127.2215 55.5047 30.2830 178.3933 100 S 4.2846 8.5925 115.1913 61.2551 62.9303 175.0041 101 N 4.5519 8.1244 115.9571 52.9864 37.4886 175.0105 102 N 4.3614 8.5575 115.8056 54.1995 36.5652 173.2036 103 Y 4.7917 8.0660 115.7935 56.5447 41.3687 174.4470 104 N 5.5740 9.7467 118.7204 52.1944 41.6035 174.4138 105 T 5.1767 8.3989 110.4549 60.2572 73.0420 172.5887 106 Y 4.8468 8.7820 119.8787 56.5865 41.2562 174.0506 107 R 4.9071 8.9829 125.8135 54.0034 32.5173 175.2680 108 S 4.2900 8.8259 121.3977 59.3224 62.7211 175.0404 109 R 4.0668 8.6108 130.1320 59.6669 30.0215 178.5336 110 K 3.9044 7.9623 119.7847 56.8594 32.3699 182.4209 111 Y 4.6528 7.1205 121.6868 55.8224 36.3286 176.7886 112 T 4.3860 8.3966 108.7620 62.0965 69.0383 175.4711 113 S 4.5756 8.3587 117.6904 58.4278 64.8119 174.5143 *114 W 4.9242 7.7750 124.1257 55.8538 30.3298 180.2665 115 Y 5.2966 8.6755 119.8676 55.7008 40.6089 175.8778 116 V 3.9703 8.6876 122.4284 63.2031 32.2895 175.1575 117 A 5.1954 8.5631 127.0206 51.2572 22.5822 174.6462 118 L 5.1686 8.5558 121.2249 53.5250 45.1084 177.4736 119 K 4.4991 9.1674 127.9248 54.5000 33.3779 179.0313 120 R 4.0965 8.7076 118.2140 59.7553 29.4432 179.1165 121 T 4.0889 7.6487 105.2343 63.5001 69.3823 175.5413 122 G 2.7681 7.6545 108.7779 44.4790 0.0000 172.9917 123 Q 4.7549 7.5302 119.0517 54.1213 30.9521 175.0775 124 Y 4.7293 8.3421 120.1994 57.1986 39.2395 174.7562 125 K 4.6531 8.8946 123.5858 54.6813 34.6672 176.4397 126 L 4.3600 8.9227 126.8559 54.7843 41.5971 175.4845 127 G 4.0722 9.4242 113.9204 47.8871 0.0000 175.6417 128 S 4.2210 8.2798 115.2966 60.7918 63.2120 175.4688 129 K 4.5197 8.3411 122.1697 54.3225 31.7272 181.3512 130 T 4.9789 7.0634 108.6230 60.7529 71.0069 174.1018 131 G 4.3238 8.0454 109.6639 43.4545 0.0000 172.2200 132 P 3.8993 0.0000 0.0000 64.9505 31.1007 177.3643 133 G 3.8946 7.7741 104.9580 45.1739 0.0000 173.7215 134 Q 4.1527 7.6119 119.5577 55.3872 29.0589 177.0931 135 K 3.8410 8.3761 120.5627 58.4815 32.9593 178.7879 136 A 3.9655 7.8792 121.3405 54.0560 18.4685 178.2427 137 I 4.5880 7.4489 107.1522 60.8139 38.5164 175.2176 138 L 4.6619 7.2129 122.6528 54.0341 42.6803 175.7264 139 F 5.5293 9.5602 122.7321 55.5115 43.3619 174.1147 140 L 5.1620 9.4154 124.2558 52.5247 44.3148 173.7974 141 P 5.0940 0.0000 0.0000 63.3390 32.1487 175.6197 142 M 5.0175 9.4031 122.6330 53.0389 36.6118 174.8604 143 S 4.4274 8.6871 115.2164 58.1841 63.9620 173.7550 144 A 4.4849 8.6489 130.0724 52.8144 18.9554 178.3004 145 K 4.1751 7.6076 126.9854 56.7479 32.2440 177.7963 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 *16 H 8.29 4.79 0.00 2.85 3.04 0.00 7.17 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 17 F 9.06 4.23 0.00 3.24 3.26 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 18 K 7.53 4.09 0.00 1.70 1.67 0.00 1.38 0.00 0.00 1.37 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.31 1.07 7.81 19 D 7.54 4.52 0.00 2.83 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 20 P 0.00 4.68 0.00 2.05 2.04 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 21 K 9.27 4.86 0.00 1.67 1.93 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.60 7.81 22 R 9.20 5.14 0.00 1.83 1.88 0.00 2.54 0.00 0.00 2.69 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 23 L 8.65 5.20 0.00 1.62 1.73 0.46 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 24 Y 9.08 4.52 0.00 3.08 3.06 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 25 C 8.58 4.10 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 3.75 0.00 1.22 1.41 0.00 0.84 0.00 0.00 1.21 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.27 7.81 27 N 7.54 4.23 0.00 2.66 2.62 0.00 0.00 7.04 7.98 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 28 G 8.68 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 0.00 0.00 0.00 29 G 7.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.27 4.77 0.00 2.94 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 31 F 9.40 5.18 0.00 3.22 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 32 L 9.19 4.42 0.00 1.88 1.60 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.51 4.93 0.00 1.89 2.04 0.00 3.08 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.73 0.00 34 I 8.46 4.49 1.82 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 1.18 0.74 0.86 0.00 0.00 35 H 8.82 4.32 0.00 3.29 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.14 0.00 2.00 2.09 0.00 3.59 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 37 D 8.05 4.56 0.00 2.77 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 38 G 8.68 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 0.00 0.00 0.00 39 R 7.70 4.58 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 0.00 40 V 8.18 5.01 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 1.00 0.00 0.00 0.88 0.00 0.00 41 D 8.51 4.72 0.00 2.91 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 42 G 8.62 4.58 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 0.00 0.00 0.00 43 V 8.65 5.01 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 0.85 0.00 0.00 1.13 0.00 0.00 44 R 9.08 3.94 0.00 1.84 1.99 0.00 3.06 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 45 E 8.36 4.15 0.00 1.89 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 2.31 1.87 0.00 46 K 8.85 3.78 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 S 7.80 4.42 0.00 3.62 3.79 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 0.00 0.00 0.00 48 D 8.04 4.40 0.00 2.79 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 49 P 0.00 4.40 0.00 2.08 2.07 0.00 3.70 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 1.56 1.84 0.00 50 H 9.03 4.87 0.00 3.12 3.47 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.20 4.66 1.92 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.24 1.04 0.00 0.00 52 K 7.90 4.30 0.00 1.82 1.71 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 53 L 9.16 5.18 0.00 1.64 1.46 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.89 4.78 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 55 L 8.56 5.10 0.00 1.66 1.66 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.61 4.68 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 57 A 8.85 4.66 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 58 E 8.83 4.32 0.00 1.75 1.56 0.00 0.00 0.00 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 1.86 0.00 59 E 7.57 4.51 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 60 R 8.54 3.82 0.00 1.78 1.94 0.00 3.33 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 61 G 9.09 4.01 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 0.00 0.00 0.00 62 V 7.99 4.82 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 0.84 0.00 0.00 0.55 0.00 0.00 63 V 9.22 5.34 2.32 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 0.88 0.00 0.00 1.24 0.00 0.00 64 S 9.08 5.46 0.00 3.86 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 65 I 8.43 4.68 1.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.57 0.73 0.00 0.00 66 K 8.73 4.69 0.00 1.45 1.46 0.00 0.82 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.00 0.74 7.81 67 G 8.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.35 3.62 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 0.76 0.00 0.00 0.94 0.00 0.00 69 S 8.11 4.20 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 3.96 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 71 N 8.09 4.04 0.00 2.77 2.81 0.00 0.00 6.80 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 72 R 7.43 4.87 0.00 1.48 1.71 0.00 3.27 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 73 Y 8.89 5.01 0.00 2.82 2.79 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 0.00 0.00 0.00 74 L 9.08 4.54 0.00 1.65 1.55 0.81 0.47 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 75 A 9.24 5.21 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 76 M 8.76 5.18 0.00 2.29 2.24 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 2.57 2.55 0.00 77 K 9.12 4.46 0.00 1.71 1.69 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.25 7.81 78 E 8.61 3.12 0.00 1.98 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 2.23 1.88 0.00 79 D 7.90 4.51 0.00 2.75 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 80 G 8.32 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.10 4.61 0.00 1.53 1.81 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 82 L 6.77 5.07 0.00 0.62 1.29 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.52 4.60 0.00 1.72 1.69 0.92 0.59 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 84 A 8.52 5.17 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 85 S 9.40 4.58 0.00 3.87 3.75 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 86 K 8.93 4.09 0.00 1.82 1.71 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 S 7.63 4.93 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.23 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 0.42 0.00 0.00 -0.34 0.00 0.00 89 T 7.70 4.67 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 1.20 0.00 0.00 90 D 8.71 4.58 0.00 2.65 2.68 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 91 E 8.04 4.28 0.00 1.91 1.91 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 2.18 2.13 0.00 92 C 7.38 4.90 0.00 2.15 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 93 F 7.08 5.19 0.00 2.70 2.66 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 94 F 9.31 5.45 0.00 3.08 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 95 F 9.83 4.74 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.25 4.95 0.00 2.22 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 2.23 1.99 0.00 97 R 8.43 4.62 0.00 1.99 1.73 0.00 3.20 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 98 L 8.57 4.79 0.00 1.69 1.60 1.04 0.99 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 99 E 9.15 4.37 0.00 2.35 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 2.37 2.41 0.00 100 S 8.59 4.28 0.00 3.99 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 0.00 101 N 8.12 4.55 0.00 3.04 3.05 0.00 0.00 6.13 8.04 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 0.00 102 N 8.56 4.36 0.00 2.76 2.86 0.00 0.00 6.79 7.13 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 0.00 103 Y 8.07 4.79 0.00 3.08 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 0.00 104 N 9.75 5.57 0.00 3.01 2.51 0.00 0.00 6.89 7.37 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 0.00 105 T 8.40 5.18 4.46 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 1.25 0.00 0.00 106 Y 8.78 4.85 0.00 2.79 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 0.00 107 R 8.98 4.91 0.00 1.69 1.87 0.00 3.06 0.00 0.00 2.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.00 108 S 8.83 4.29 0.00 4.22 4.05 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 0.00 109 R 8.61 4.07 0.00 1.44 1.72 0.00 3.02 0.00 0.00 2.68 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.00 110 K 7.96 3.90 0.00 1.82 1.68 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.02 7.81 111 Y 7.12 4.65 0.00 3.10 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 0.00 112 T 8.40 4.39 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 1.34 0.00 0.00 113 S 8.36 4.58 0.00 4.01 4.01 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 *114 W 7.77 4.92 0.00 2.20 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 0.00 0.00 0.00 115 Y 8.68 5.30 0.00 2.90 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 0.00 116 V 8.69 3.97 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 0.42 0.00 0.00 0.38 0.00 0.00 117 A 8.56 5.20 1.36 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 0.00 118 L 8.56 5.17 0.00 1.53 1.50 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.17 4.50 0.00 1.39 1.67 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.26 7.81 120 R 8.71 4.10 0.00 1.82 1.89 0.00 3.23 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 121 T 7.65 4.09 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 122 G 7.65 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 0.00 0.00 0.00 123 Q 7.53 4.75 0.00 1.81 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 124 Y 8.34 4.73 0.00 3.05 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 0.00 125 K 8.89 4.65 0.00 1.81 1.81 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 126 L 8.92 4.36 0.00 1.61 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.42 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.28 4.22 0.00 4.01 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 0.00 129 K 8.34 4.52 0.00 1.74 1.70 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.22 7.81 130 T 7.06 4.98 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 1.46 0.00 0.00 131 G 8.05 4.32 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 0.00 132 P 0.00 3.90 0.00 2.17 2.27 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 133 G 7.77 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 0.00 0.00 0.00 134 Q 7.61 4.15 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 135 K 8.38 3.84 0.00 1.68 1.69 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.24 7.81 136 A 7.88 3.97 1.36 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 0.00 137 I 7.45 4.59 1.84 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.91 0.00 0.00 138 L 7.21 4.66 0.00 1.16 1.14 0.61 0.89 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 0.00 139 F 9.56 5.53 0.00 3.27 3.16 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 0.00 0.00 0.00 0.00 140 L 9.42 5.16 0.00 1.99 1.78 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 5.09 0.00 2.24 2.23 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 142 M 9.40 5.02 0.00 2.00 2.16 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 2.91 2.51 0.00 143 S 8.69 4.43 0.00 3.92 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 0.00 144 A 8.65 4.48 1.28 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 0.00 0.00 0.00 145 K 7.61 4.18 0.00 1.87 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.