NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5404 8.3044 118.2106 55.3390 32.5351 174.2602 2 H 4.5862 9.5811 125.0836 54.8161 30.7745 173.2795 3 F 4.9840 8.8623 125.5039 57.1071 40.5992 174.7433 4 S 4.6752 8.9822 115.9739 57.3468 66.9986 173.0933 5 I 5.4038 9.5042 120.9625 57.8726 36.6276 174.7340 6 P 4.2269 0.0000 0.0000 64.3103 32.3455 177.0601 7 E 4.8312 7.9176 120.1964 54.8201 33.1896 174.0718 8 T 4.9873 8.4852 115.6267 60.0765 72.1206 172.9915 9 E 4.5350 8.5379 122.4415 54.8323 33.4745 174.1436 10 S 4.5739 8.6636 123.3864 58.3126 63.3460 172.8712 11 R 4.4777 8.2744 130.4189 54.7315 33.3877 174.2461 *17 G 3.8960 8.5826 105.4238 45.3462 0.0000 172.5889 18 S 4.2446 8.6125 118.7484 57.5777 63.2092 173.6556 19 A 4.3921 8.3676 129.1097 52.9079 18.9839 176.0997 20 Y 4.9793 7.7960 116.9506 55.6698 42.1594 173.8388 21 V 4.3981 8.5779 120.2798 62.0874 32.6852 174.7542 22 A 5.0795 9.0836 130.0040 50.5525 21.8516 174.7627 23 Y 4.6979 9.3436 119.8433 56.4964 40.2512 174.9908 24 N 5.0869 9.1498 123.2723 52.3180 39.6196 174.2137 25 I 4.5346 8.8799 126.5724 60.9697 38.6517 175.0394 26 H 5.2598 9.2594 125.0521 54.3732 31.3257 174.3705 27 V 4.3550 8.5976 122.1012 61.2814 33.9455 175.4331 28 N 4.4855 9.7249 127.2294 54.5738 36.5596 175.1441 29 G 3.9770 8.4612 101.2855 45.8370 0.0000 173.6107 30 V 4.2927 7.4443 118.1247 59.8677 34.3524 174.6786 31 L 3.9048 8.3242 128.0296 56.2794 42.3833 175.2496 32 H 4.8160 9.5715 126.0526 57.6980 31.6909 174.0400 33 C 4.7418 7.8411 110.7575 57.1331 32.8719 172.6227 34 R 5.1172 8.9562 120.9423 55.0007 31.1364 176.2133 35 V 4.9783 8.9683 116.9891 59.5726 36.5432 175.3934 36 R 5.1067 9.3240 120.1966 55.3647 31.6237 176.6889 37 Y 4.1896 9.2641 120.3834 61.2483 38.5860 178.5939 38 S 4.2481 8.3086 114.3711 61.4304 63.0499 176.4687 39 Q 4.0791 8.1193 121.4244 58.9369 28.4531 178.5537 40 L 3.9126 7.9782 119.5622 57.4799 41.6034 179.1155 41 L 2.9335 8.1371 120.9193 57.6481 41.9809 179.0646 42 G 3.6433 7.9561 105.6540 47.7593 0.0000 174.9875 43 L 3.7368 7.6842 122.8656 58.1523 41.9769 178.3922 44 H 4.0468 7.7161 119.3843 58.7218 29.6035 176.9745 45 E 3.8845 8.1721 120.4087 59.2617 29.2096 179.3575 46 Q 3.9429 8.0398 118.0886 58.9646 28.7890 178.8209 47 L 4.1196 8.0988 120.1369 57.9011 41.5899 179.6870 48 R 3.8789 8.3591 118.2676 59.2186 29.7843 178.9757 49 K 3.8362 7.7366 118.0051 59.5014 32.2576 178.0880 50 E 3.8302 7.8315 118.3718 58.1550 29.6129 176.5959 51 Y 4.5975 8.2894 114.0457 56.5967 40.6567 175.1482 52 G 4.0135 8.4947 111.0139 45.4607 0.0000 174.5518 53 A 4.0320 8.5755 126.1538 55.0562 18.6085 178.5999 54 N 4.6990 8.1355 110.1269 53.9915 37.5875 175.7010 55 V 4.3281 7.6933 110.9037 61.1472 32.2777 175.1646 56 L 4.6831 7.5121 119.7217 51.9960 43.7837 174.7457 57 P 4.3895 0.0000 0.0000 62.0574 31.9380 176.2149 58 A 4.1833 8.4484 123.3923 52.2574 18.7538 176.9455 59 F 4.3114 8.5039 125.4017 55.6161 40.7643 173.8186 60 P 4.2415 0.0000 0.0000 61.8003 31.7285 174.5520 61 P 4.6534 0.0000 0.0000 61.9343 32.3372 176.3460 62 K 4.1254 8.4756 118.7068 56.4643 32.6446 176.7052 63 K 4.6751 8.1454 119.9674 54.9319 34.9254 176.2958 64 L 4.4085 8.3617 118.8429 54.5374 42.4625 176.4358 65 F 4.9361 7.5346 116.1522 55.0124 42.9010 174.6317 66 S 4.2166 8.8206 118.3980 59.0867 63.1205 174.6264 67 L 4.4508 8.3693 124.9132 54.5594 42.2655 177.8370 68 T 4.2104 8.9802 114.5638 60.6164 70.9655 173.8377 69 P 4.2081 0.0000 0.0000 66.0752 31.2642 178.7974 70 A 4.0339 7.9446 118.7416 55.1537 18.2500 179.4067 71 E 3.9128 7.9850 117.0327 59.4073 29.5246 179.6976 72 V 3.6605 8.2434 118.8531 65.9795 31.6333 177.7325 73 E 4.0085 8.3562 119.1233 59.2121 29.4633 178.5251 74 Q 3.9508 8.2903 119.7436 59.2691 29.0698 178.3134 75 R 4.0349 8.2621 121.3574 58.7114 30.0836 178.2448 76 R 3.9865 8.7179 118.9507 59.6414 30.0983 178.2454 77 E 3.9970 8.2650 118.1169 59.6757 29.4350 179.5103 78 Q 3.9849 8.0523 117.9606 58.9164 28.7130 178.7524 79 L 3.9542 8.0679 120.3484 57.5515 41.5912 179.1952 80 E 4.0035 8.3721 119.3198 59.3564 29.5687 179.0792 81 K 4.1669 8.1299 118.5563 59.4407 31.5664 178.7294 82 Y 3.9542 8.1747 119.8269 61.1135 38.7468 178.1091 83 M 4.0111 8.3930 119.6474 58.3771 32.0204 178.8762 84 Q 3.8610 8.2005 117.9712 58.8804 28.6931 178.6336 85 A 3.8442 7.7858 120.7604 54.9496 18.5365 179.6186 86 V 3.1324 7.3981 116.9054 65.8318 30.9754 178.1179 87 R 3.6054 7.3767 118.4623 59.5892 29.6641 178.3145 88 Q 4.2026 7.7871 115.7922 56.7056 29.0256 175.8237 89 D 4.3745 7.1681 121.1627 52.9437 41.4821 175.0233 90 P 4.2324 0.0000 0.0000 65.3937 31.0717 178.2335 91 L 3.9815 8.2660 119.4973 58.1245 42.1594 178.9881 92 L 3.5028 7.7166 118.4950 57.5303 41.4475 179.6305 93 G 3.5463 8.6337 106.3338 46.1169 0.0000 174.8078 94 S 4.7079 7.1701 113.9120 57.4862 64.1914 175.2012 95 S 4.4020 7.4528 119.1598 58.2982 64.8004 174.4987 96 E 3.9892 8.9129 124.1912 59.9311 29.4401 179.3551 97 T 3.9427 8.0351 115.0846 66.7227 68.6555 176.1790 98 F 4.3674 8.4088 122.2978 61.6448 39.5011 177.0074 99 N 4.3725 8.5621 116.1706 56.2141 38.3231 177.6893 100 S 4.1507 8.5865 117.1876 61.4506 62.8872 176.3986 101 F 4.0305 8.2095 123.1255 61.3319 39.1875 177.1227 102 L 4.0267 8.0053 118.5293 57.8261 41.4454 179.4794 103 R 3.8756 8.0752 118.5963 59.5351 29.9863 178.6021 104 R 3.8527 8.0726 118.2375 59.0834 30.0184 178.3342 105 A 3.7513 7.8873 120.9028 54.9744 18.2948 179.3283 106 Q 4.0655 7.8920 119.3950 58.8252 29.0932 178.5607 107 Q 3.9358 7.8102 118.5655 58.9290 28.5330 178.4247 108 E 3.9101 8.0203 119.1575 59.6848 29.7705 178.8036 109 T 3.9946 7.8972 114.5623 66.1164 68.5159 175.8576 110 Q 4.3227 7.5480 117.8988 56.9649 29.3820 176.2677 111 Q 4.2891 7.9668 123.3809 56.0426 29.0462 175.4266 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 4.54 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.65 0.00 2 H 9.58 4.59 0.00 3.33 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.86 4.98 0.00 2.90 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 4 S 8.98 4.68 0.00 4.01 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 5 I 9.50 5.40 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.99 1.18 0.00 0.00 6 P 0.00 4.23 0.00 2.10 2.12 0.00 3.93 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 7 E 7.92 4.83 0.00 2.09 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 2.19 2.24 0.00 8 T 8.49 4.99 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 1.09 0.00 0.00 9 E 8.54 4.54 0.00 1.96 1.67 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 0.00 2.10 2.22 0.00 10 S 8.66 4.57 0.00 3.71 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 11 R 8.27 4.48 0.00 1.40 0.78 0.00 3.07 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 *17 G 8.58 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 18 S 8.61 4.24 0.00 3.88 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 19 A 8.37 4.39 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 20 Y 7.80 4.98 0.00 3.10 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 21 V 8.58 4.40 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 0.29 0.00 0.00 0.91 0.00 0.00 22 A 9.08 5.08 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 23 Y 9.34 4.70 0.00 3.11 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 24 N 9.15 5.09 0.00 2.89 2.91 0.00 0.00 6.56 6.90 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 25 I 8.88 4.53 2.14 0.00 0.00 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 1.46 0.82 1.21 0.00 0.00 26 H 9.26 5.26 0.00 3.08 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.60 4.36 1.82 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 0.68 0.00 0.00 -0.03 0.00 0.00 28 N 9.72 4.49 0.00 2.83 2.84 0.00 0.00 7.11 8.46 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 29 G 8.46 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 0.00 0.00 0.00 30 V 7.44 4.29 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 0.86 0.00 0.00 0.98 0.00 0.00 31 L 8.32 3.90 0.00 1.44 1.49 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.57 4.82 0.00 3.08 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.84 4.74 0.00 2.99 2.91 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 34 R 8.96 5.12 0.00 1.72 1.99 0.00 3.13 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 35 V 8.97 4.98 2.30 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 0.90 0.00 0.00 1.24 0.00 0.00 36 R 9.32 5.11 0.00 2.08 2.25 0.00 2.33 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 37 Y 9.26 4.19 0.00 3.19 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 38 S 8.31 4.25 0.00 4.11 4.21 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 0.00 0.00 0.00 0.00 39 Q 8.12 4.08 0.00 2.49 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 L 7.98 3.91 0.00 1.86 1.86 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.14 2.93 0.00 1.17 1.55 0.67 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.96 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 43 L 7.68 3.74 0.00 0.47 1.35 0.84 0.55 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 44 H 7.72 4.05 0.00 2.10 2.48 0.00 5.88 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 45 E 8.17 3.88 0.00 2.04 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 2.22 2.30 0.00 46 Q 8.04 3.94 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 47 L 8.10 4.12 0.00 1.85 1.80 0.89 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.36 3.88 0.00 1.84 1.91 0.00 3.09 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.00 49 K 7.74 3.84 0.00 1.78 1.93 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.39 7.81 50 E 7.83 3.83 0.00 1.67 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 1.47 1.47 0.00 51 Y 8.29 4.60 0.00 3.01 2.88 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 0.00 0.00 0.00 52 G 8.49 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 53 A 8.58 4.03 1.34 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 54 N 8.14 4.70 0.00 2.83 2.96 0.00 0.00 5.85 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 55 V 7.69 4.33 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 0.73 0.00 0.00 1.03 0.00 0.00 56 L 7.51 4.68 0.00 1.83 1.65 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.39 0.00 1.90 1.89 0.00 3.40 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 58 A 8.45 4.18 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 59 F 8.50 4.31 0.00 2.28 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 60 P 0.00 4.24 0.00 1.81 1.94 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.72 0.00 61 P 0.00 4.65 0.00 2.18 2.06 0.00 3.69 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 1.97 0.00 62 K 8.48 4.13 0.00 1.81 1.83 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.64 7.81 63 K 8.15 4.68 0.00 1.65 1.70 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.29 7.81 64 L 8.36 4.41 0.00 1.22 1.16 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.53 4.94 0.00 2.98 2.89 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 66 S 8.82 4.22 0.00 3.92 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 67 L 8.37 4.45 0.00 1.64 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.98 4.21 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 69 P 0.00 4.21 0.00 2.17 2.15 0.00 3.59 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 2.11 2.16 0.00 70 A 7.94 4.03 1.31 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 0.00 0.00 71 E 7.98 3.91 0.00 2.25 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 2.32 2.31 0.00 72 V 8.24 3.66 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 0.83 0.00 0.00 0.95 0.00 0.00 73 E 8.36 4.01 0.00 2.15 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 0.00 2.32 2.38 0.00 74 Q 8.29 3.95 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 75 R 8.26 4.03 0.00 1.84 2.10 0.00 3.21 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 76 R 8.72 3.99 0.00 2.26 2.22 0.00 3.46 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 77 E 8.27 4.00 0.00 2.25 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 2.36 2.62 0.00 78 Q 8.05 3.98 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 79 L 8.07 3.95 0.00 1.64 1.60 0.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.37 4.00 0.00 2.19 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 0.00 2.36 2.43 0.00 81 K 8.13 4.17 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.61 7.81 82 Y 8.17 3.95 0.00 3.10 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 83 M 8.39 4.01 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.12 0.00 84 Q 8.20 3.86 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 85 A 7.79 3.84 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 86 V 7.40 3.13 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 -0.28 0.00 0.00 0.01 0.00 0.00 87 R 7.38 3.61 0.00 1.46 1.88 0.00 3.29 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.81 0.00 88 Q 7.79 4.20 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 89 D 7.17 4.37 0.00 2.55 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.23 0.00 2.00 2.07 0.00 3.64 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 1.98 2.10 0.00 91 L 8.27 3.98 0.00 1.61 1.63 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.72 3.50 0.00 1.47 1.25 0.63 0.19 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 93 G 8.63 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.17 4.71 0.00 3.96 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 95 S 7.45 4.40 0.00 4.32 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 0.00 96 E 8.91 3.99 0.00 2.08 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 0.00 2.43 2.40 0.00 97 T 8.04 3.94 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 1.31 0.00 0.00 98 F 8.41 4.37 0.00 3.06 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 99 N 8.56 4.37 0.00 2.96 2.89 0.00 0.00 7.09 7.19 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 0.00 100 S 8.59 4.15 0.00 4.03 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 0.00 101 F 8.21 4.03 0.00 3.31 3.19 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 0.00 102 L 8.01 4.03 0.00 1.84 1.74 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.08 3.88 0.00 1.94 2.13 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 104 R 8.07 3.85 0.00 2.02 1.71 0.00 3.14 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 105 A 7.89 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.89 4.07 0.00 1.77 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 107 Q 7.81 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 108 E 8.02 3.91 0.00 1.89 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 2.31 2.33 0.00 109 T 7.90 3.99 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 1.20 0.00 0.00 110 Q 7.55 4.32 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 111 Q 7.97 4.29 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 * Residues marked with a * may have inaccurate shift predictions.