NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.1226 8.1300 115.1958 56.4610 39.8912 176.9024 13 V 3.4568 8.1183 122.7177 66.7819 30.8472 174.9452 14 A 4.0148 8.8285 121.3032 55.4706 18.6231 178.9036 15 E 4.0101 8.2523 116.4808 59.5516 29.5788 179.4485 16 L 4.0732 8.3245 119.1157 57.5497 41.7072 179.0675 17 N 4.3846 8.3853 116.7375 56.2710 38.2339 176.7142 18 N 4.4918 7.8253 116.3278 55.5731 39.2293 175.7854 19 L 4.5223 7.6876 119.0336 53.3669 42.1036 176.0757 20 L 4.2360 7.1952 120.5627 56.4779 41.8899 177.7768 21 G 3.9890 9.6033 112.6550 44.9730 0.0000 173.2647 22 R 4.6920 7.8381 118.6459 54.2101 33.0899 175.2415 23 E 4.7335 8.5875 122.0305 56.5687 30.7787 175.9447 24 V 4.7027 8.8170 118.0102 60.1701 37.2526 173.2540 25 Q 5.0780 9.0004 122.8912 54.3963 31.9360 174.2843 26 V 4.7895 8.9797 125.6447 61.1676 34.6219 174.0482 27 V 4.6109 8.5957 128.5450 61.5387 33.1315 174.7168 28 L 5.4018 8.7566 128.2422 53.0779 43.8875 177.9137 29 S 4.3442 9.1400 116.2841 60.2492 63.1259 174.6811 30 N 4.5934 8.2110 117.6961 53.0126 37.4656 175.8742 31 G 3.9702 8.2716 108.0331 45.2619 0.0000 173.7645 32 E 4.3445 8.6820 119.8923 55.9387 31.5334 175.8970 33 V 4.7552 7.9052 120.5951 61.5166 34.9169 173.5005 34 Y 5.0017 9.1174 125.7894 55.9865 40.8780 174.5603 35 K 4.9742 8.7315 124.9785 54.7336 35.4449 175.4629 36 G 4.3898 8.0988 112.2758 46.0668 0.0000 171.7767 37 V 4.2942 7.9582 120.3501 62.2849 32.9089 175.4811 38 L 4.3581 9.1078 130.7697 55.8223 42.0182 176.3513 39 H 4.5661 8.9664 127.5032 58.3182 30.9622 175.0759 40 A 4.7821 7.6508 116.9062 50.9940 22.4592 175.7035 41 V 5.0319 8.2899 119.1871 60.3926 34.7396 174.3009 42 D 4.9708 8.3786 123.9433 51.2352 41.8464 176.7475 43 N 4.3164 8.5728 115.5165 56.3552 38.4556 176.2752 44 Q 3.9107 7.9868 114.2769 55.3881 28.9735 175.5942 45 L 3.7678 7.8031 116.8428 55.7201 39.5455 174.5088 46 N 4.9541 8.4351 115.6684 53.6161 40.0086 174.3992 47 I 4.9130 8.6880 121.5896 59.6479 41.8565 174.3302 48 V 4.6270 8.6862 126.0386 61.1280 33.7896 174.1996 49 L 5.2857 8.7597 127.6933 52.9508 44.6202 175.1566 50 A 4.8387 9.0482 124.5821 50.6276 21.5985 176.4422 51 N 4.3147 8.4019 117.8274 54.2352 36.8642 173.7217 52 A 5.1325 7.7276 119.8138 51.2789 22.0265 177.7824 53 S 5.7941 9.3523 112.6692 56.7878 67.2551 173.4318 54 N 5.4651 8.2343 118.4928 50.3248 39.8630 175.2375 55 K 3.8660 8.4305 116.7493 59.6625 32.1207 178.1507 56 A 4.0476 7.9017 119.1381 52.8801 18.4856 177.9742 57 G 3.8917 8.1266 104.2055 45.1365 0.0000 173.5868 58 E 4.2124 8.1731 119.2739 55.6563 30.7645 175.9229 59 K 5.1231 7.9722 121.5013 54.7069 35.4684 175.5606 60 F 4.8275 9.0669 120.9406 55.8216 43.2287 175.1830 61 N 4.3794 9.2416 121.7393 56.4507 39.8130 174.7277 62 R 4.9297 7.8588 114.8217 54.2129 34.3609 174.8914 63 V 3.9510 8.2242 122.4102 61.0176 34.4488 174.1770 64 F 4.9053 8.6754 127.2683 56.5827 39.6492 175.1045 65 I 4.4936 8.8033 130.4250 60.6382 39.9061 176.7123 *67 Y 4.7523 8.5045 119.7073 58.0985 39.7892 177.6268 68 R 3.6324 7.0109 117.9953 58.4190 30.2380 176.6395 69 Y 4.3659 7.7468 113.4513 57.5763 38.5751 174.4610 70 I 4.4013 7.5311 122.1571 60.8638 37.4440 175.8976 71 V 4.0984 8.7345 128.3519 65.1685 32.0339 175.5294 72 H 4.8428 7.6510 112.8645 54.9238 31.3975 172.1318 73 I 4.9510 8.3872 119.9255 59.6891 39.6428 174.7621 74 D 5.0841 9.3542 126.1387 52.5119 44.4523 174.9411 75 S 4.9412 8.5239 115.6650 56.8748 65.2575 173.6434 76 T 4.4039 8.7489 114.8872 61.4598 69.4929 174.0826 77 E 4.4028 7.7401 121.6917 55.1404 31.1026 175.6733 78 R 4.3580 8.2933 121.5620 54.8826 30.4657 175.4705 79 R 4.5816 8.1578 124.3719 54.0507 32.5253 175.9977 80 I 3.8373 8.3720 123.7438 61.2251 37.5190 174.9778 81 D 4.8997 8.6407 124.8690 52.5020 43.9931 176.4378 *83 R 3.7858 8.2813 117.4959 56.0151 32.1036 177.8933 84 E 3.9407 8.3228 117.5732 59.2992 29.6424 178.4253 85 F 3.4155 8.1611 120.4393 60.8992 39.2702 176.9587 86 A 3.9760 7.8368 119.9715 55.1121 18.0589 179.5913 87 K 3.9294 7.8089 115.9736 59.6095 32.4842 179.3707 88 Q 4.0204 7.9486 118.1967 58.7764 28.5768 178.4205 89 A 3.9394 7.8910 122.2008 54.9940 18.0842 179.2556 90 E 3.5539 8.2439 117.7136 59.0662 29.3977 179.0422 91 K 4.0026 7.7111 117.5279 58.7330 32.2118 178.6761 92 I 3.8059 7.3290 118.7232 62.0945 38.7831 176.2327 93 F 4.9696 8.4649 117.0508 54.6162 38.9011 173.6912 94 P 4.4860 0.0000 0.0000 63.7119 31.9005 176.9244 95 G 3.6213 9.0453 109.8231 46.5814 0.0000 173.8914 *97 V 4.1320 7.5378 116.7607 62.4090 33.0309 174.8188 98 K 4.6189 8.8571 128.0086 54.9206 35.5145 174.1826 99 Y 4.7880 8.8533 128.9756 57.2607 40.1168 174.6141 100 I 4.0991 7.9284 128.2561 59.1862 38.1886 176.2452 101 E 3.6807 8.3176 126.3527 58.8737 29.9165 178.4372 102 E 4.0509 8.1603 118.5292 58.7933 29.5163 177.5614 103 T 4.3769 7.3713 104.2224 60.1599 69.9608 172.7976 104 N 4.1571 7.9233 119.1815 55.3082 37.7702 172.9177 105 V 4.7129 7.0444 115.5718 61.0712 36.6155 174.1960 106 V 4.8931 9.0041 123.7365 61.1194 34.1383 174.0401 107 L 4.9517 8.8927 128.3912 53.4019 43.3892 175.6234 108 I 4.2819 8.5757 124.8814 60.3519 39.4347 176.1749 109 G 4.1872 8.4806 118.7452 45.3740 0.0000 171.2718 110 D 4.6442 8.5878 116.7301 54.4147 42.0816 177.9632 111 K 4.5195 7.9445 115.1072 55.9711 33.7073 175.4419 112 V 4.5896 7.4876 119.0478 60.8798 34.6226 174.1733 113 R 4.9112 8.7584 127.1271 54.4691 33.3958 173.8089 114 V 4.6118 9.1535 126.5489 61.1356 34.3508 174.7189 115 S 5.0658 8.2500 122.8279 56.0780 66.0172 174.5435 116 E 4.3207 8.9645 116.7251 58.2165 29.3830 177.2563 117 I 4.1932 7.4438 112.7343 60.3683 38.2264 173.8782 118 G 2.9043 7.2387 107.7294 43.9572 0.0000 172.8550 119 V 4.1221 7.7266 118.7218 61.9095 32.4058 175.2697 120 E 4.4966 10.3441 127.0869 53.4753 31.2863 175.6150 121 G 4.5475 7.5891 110.4742 43.7038 0.0000 171.6938 122 V 4.3705 7.6439 112.8520 59.7182 35.7325 175.3622 123 G 3.9330 8.5973 106.9108 43.9988 0.0000 172.7627 124 P 4.3094 0.0000 0.0000 65.6922 30.8877 178.7953 125 V 3.6841 7.8035 117.3596 65.8779 31.5407 177.5856 126 A 3.9774 7.9941 119.9786 55.2914 18.3604 179.2651 127 E 3.9527 8.2335 117.0167 59.5629 29.5665 179.6171 128 R 3.9868 8.4003 118.6019 59.5093 30.2074 178.4693 129 A 4.4491 8.6846 120.8954 55.1477 18.2462 179.8247 130 K 4.1477 8.3841 117.4004 59.6387 32.1102 179.7899 131 R 3.9994 8.0816 118.0476 59.0984 30.0333 178.7231 132 L 4.0670 8.2616 120.1489 58.3533 42.1627 178.8869 133 F 4.4635 9.1091 120.9605 61.4232 39.1147 176.8000 134 E 4.0299 8.4969 117.4570 59.5372 29.4862 179.0043 135 E 4.1196 8.3376 118.4986 59.4179 29.3631 178.9140 136 F 4.1963 8.1606 119.3720 61.6246 39.4708 177.0137 137 L 3.6865 7.6517 117.0337 56.8164 41.3631 177.3173 138 K 4.0827 7.8671 122.8213 56.4462 32.1302 176.4146 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 12 F 8.13 5.12 0.00 3.16 3.40 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 13 V 8.12 3.46 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 1.02 0.00 0.00 0.96 0.00 0.00 14 A 8.83 4.01 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 15 E 8.25 4.01 0.00 2.27 2.02 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 2.44 2.50 0.00 16 L 8.32 4.07 0.00 1.79 1.76 1.10 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.39 4.38 0.00 3.10 2.90 0.00 0.00 6.55 6.52 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 18 N 7.83 4.49 0.00 2.88 3.06 0.00 0.00 7.18 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 19 L 7.69 4.52 0.00 1.90 1.66 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.20 4.24 0.00 1.74 1.63 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.60 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.84 4.69 0.00 1.81 1.99 0.00 3.30 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 23 E 8.59 4.73 0.00 1.99 1.84 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 2.30 2.48 0.00 24 V 8.82 4.70 2.17 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 0.83 0.00 0.00 0.95 0.00 0.00 25 Q 9.00 5.08 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 26 V 8.98 4.79 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 1.04 0.00 0.00 0.98 0.00 0.00 27 V 8.60 4.61 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 0.91 0.00 0.00 0.81 0.00 0.00 28 L 8.76 5.40 0.00 1.89 1.65 1.04 1.07 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 29 S 9.14 4.34 0.00 4.05 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 30 N 8.21 4.59 0.00 2.85 2.94 0.00 0.00 6.29 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 31 G 8.27 3.97 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 0.00 0.00 0.00 32 E 8.68 4.34 0.00 2.14 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 2.35 2.46 0.00 33 V 7.91 4.76 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 0.99 0.00 0.00 0.91 0.00 0.00 34 Y 9.12 5.00 0.00 2.96 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 35 K 8.73 4.97 0.00 1.79 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.36 7.81 36 G 8.10 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.96 4.29 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 38 L 9.11 4.36 0.00 1.91 1.67 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.97 4.57 0.00 3.14 3.37 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.65 4.78 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 41 V 8.29 5.03 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 0.83 0.00 0.00 1.00 0.00 0.00 42 D 8.38 4.97 0.00 2.84 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 43 N 8.57 4.32 0.00 2.68 2.86 0.00 0.00 6.84 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.99 3.91 0.00 1.81 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 45 L 7.80 3.77 0.00 1.80 1.90 0.55 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.44 4.95 0.00 3.06 2.86 0.00 0.00 6.80 6.95 0.00 0.00 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 I 8.69 4.91 1.93 0.00 0.00 0.95 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 1.10 0.94 0.00 0.00 48 V 8.69 4.63 2.14 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 0.68 0.00 0.00 1.15 0.00 0.00 49 L 8.76 5.29 0.00 1.50 1.51 1.00 0.44 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 50 A 9.05 4.84 1.13 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 0.00 0.00 51 N 8.40 4.31 0.00 2.79 2.84 0.00 0.00 6.88 6.99 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 52 A 7.73 5.13 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 53 S 9.35 5.79 0.00 3.93 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 54 N 8.23 5.47 0.00 2.31 1.67 0.00 0.00 6.75 6.81 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 55 K 8.43 3.87 0.00 1.68 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.33 7.81 56 A 7.90 4.05 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 0.00 0.00 0.00 0.00 0.00 57 G 8.13 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 58 E 8.17 4.21 0.00 2.03 1.54 0.00 0.00 0.00 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 2.30 0.00 59 K 7.97 5.12 0.00 1.39 1.56 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.43 7.81 60 F 9.07 4.83 0.00 2.99 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 61 N 9.24 4.38 0.00 2.84 2.86 0.00 0.00 6.92 7.65 0.00 0.00 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 R 7.86 4.93 0.00 1.53 0.89 0.00 3.00 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 63 V 8.22 3.95 1.78 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 0.43 0.00 0.00 0.68 0.00 0.00 64 F 8.68 4.91 0.00 2.90 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 I 8.80 4.49 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.95 0.00 0.00 *67 Y 8.50 4.75 0.00 3.28 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.01 3.63 0.00 1.31 1.35 0.00 2.95 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.00 69 Y 7.75 4.37 0.00 3.10 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 70 I 7.53 4.40 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 1.20 0.61 1.02 0.00 0.00 71 V 8.73 4.10 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 0.87 0.00 0.00 1.01 0.00 0.00 72 H 7.65 4.84 0.00 3.18 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.39 4.95 1.74 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 1.38 0.58 0.94 0.00 0.00 74 D 9.35 5.08 0.00 2.51 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 75 S 8.52 4.94 0.00 3.78 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 4.40 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 77 E 7.74 4.40 0.00 2.00 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 2.27 2.21 0.00 78 R 8.29 4.36 0.00 1.69 1.79 0.00 3.11 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 79 R 8.16 4.58 0.00 1.79 1.80 0.00 3.68 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 80 I 8.37 3.84 1.96 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 1.23 0.44 1.19 0.00 0.00 81 D 8.64 4.90 0.00 2.86 2.70 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 0.00 0.00 0.00 *83 R 8.28 3.79 0.00 1.85 1.73 0.00 3.26 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 84 E 8.32 3.94 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 85 F 8.16 3.42 0.00 1.70 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 A 7.84 3.98 1.38 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 0.00 0.00 87 K 7.81 3.93 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 88 Q 7.95 4.02 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 89 A 7.89 3.94 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 90 E 8.24 3.55 0.00 2.11 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 2.31 2.39 0.00 91 K 7.71 4.00 0.00 1.85 1.79 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.57 7.81 92 I 7.33 3.81 1.48 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.58 -0.13 0.00 0.00 93 F 8.46 4.97 0.00 2.93 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 94 P 0.00 4.49 0.00 2.18 2.08 0.00 3.54 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 9.05 3.62 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 0.00 0.00 0.00 *97 V 7.54 4.13 2.33 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 0.85 0.00 0.00 1.06 0.00 0.00 98 K 8.86 4.62 0.00 1.82 1.57 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.38 7.81 99 Y 8.85 4.79 0.00 3.00 2.92 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 0.00 100 I 7.93 4.10 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.02 0.82 0.00 0.00 101 E 8.32 3.68 0.00 2.15 2.20 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 2.22 2.30 0.00 102 E 8.16 4.05 0.00 1.88 2.02 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 2.28 2.34 0.00 103 T 7.37 4.38 4.19 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 1.17 0.00 0.00 104 N 7.92 4.16 0.00 2.94 2.93 0.00 0.00 6.79 7.08 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 0.00 105 V 7.04 4.71 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 0.96 0.00 0.00 0.89 0.00 0.00 106 V 9.00 4.89 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 1.11 0.00 0.00 1.27 0.00 0.00 107 L 8.89 4.95 0.00 1.60 1.52 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.58 4.28 1.55 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.18 -0.18 0.00 0.00 109 G 8.48 4.19 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 0.00 110 D 8.59 4.64 0.00 2.62 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 0.00 111 K 7.94 4.52 0.00 1.68 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.41 7.81 112 V 7.49 4.59 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 0.96 0.00 0.00 0.84 0.00 0.00 113 R 8.76 4.91 0.00 1.83 1.64 0.00 3.03 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 114 V 9.15 4.61 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 -0.05 0.00 0.00 0.89 0.00 0.00 115 S 8.25 5.07 0.00 3.88 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 0.00 116 E 8.96 4.32 0.00 2.26 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 2.33 2.36 0.00 117 I 7.44 4.19 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.93 0.00 0.00 118 G 7.24 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 0.00 0.00 0.00 119 V 7.73 4.12 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 0.78 0.00 0.00 0.77 0.00 0.00 120 E 10.34 4.50 0.00 2.11 1.76 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 2.16 2.13 0.00 121 G 7.59 4.55 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 0.00 122 V 7.64 4.37 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.60 3.93 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 0.00 0.00 0.00 124 P 0.00 4.31 0.00 2.32 2.36 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 125 V 7.80 3.68 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 0.87 0.00 0.00 0.98 0.00 0.00 126 A 7.99 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.23 3.95 0.00 2.20 2.06 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 2.59 2.49 0.00 128 R 8.40 3.99 0.00 2.06 2.42 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 129 A 8.68 4.45 1.46 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 0.00 130 K 8.38 4.15 0.00 2.06 1.96 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.67 7.81 131 R 8.08 4.00 0.00 2.12 2.05 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 132 L 8.26 4.07 0.00 2.03 2.23 0.91 0.52 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 0.00 133 F 9.11 4.46 0.00 3.27 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 0.00 134 E 8.50 4.03 0.00 2.23 2.06 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 2.44 2.64 0.00 135 E 8.34 4.12 0.00 2.30 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 2.60 0.00 136 F 8.16 4.20 0.00 3.25 3.32 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 0.00 137 L 7.65 3.69 0.00 1.70 1.55 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.87 4.08 0.00 1.83 1.67 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.