NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6293 8.3493 120.5301 53.2193 42.3213 174.7603 3 P 4.2928 0.0000 0.0000 61.7007 31.9947 174.1586 4 K 4.5821 8.2593 121.0045 54.7529 35.9716 175.9709 5 H 5.0283 8.0613 119.6053 54.0766 31.5696 172.4410 6 G 4.0405 7.9425 107.1591 45.4739 0.0000 171.8167 7 N 4.8873 8.2154 116.4845 51.6589 41.4102 175.3927 8 L 3.9478 8.4663 125.6044 57.0303 41.8175 177.7086 9 F 4.7337 8.3219 115.7631 57.2210 39.4395 175.8319 10 A 4.2716 7.7313 124.6456 52.8355 19.3120 177.1148 11 D 4.3053 8.5468 119.4405 55.2399 38.4136 175.1053 12 V 3.8690 7.6250 117.6370 61.4420 31.6752 174.0206 13 P 4.4790 0.0000 0.0000 61.8324 29.9008 175.4030 14 V 3.8615 8.0020 123.0311 63.7312 32.0916 176.5817 15 G 3.8987 9.2605 113.9760 45.3171 0.0000 173.3849 16 A 4.1099 7.3837 121.8580 51.4580 18.9083 176.3497 17 P 4.4040 0.0000 0.0000 64.8967 31.6503 176.3880 18 D 5.1007 7.6012 114.7481 51.7170 44.1625 175.3412 19 E 4.3608 8.6786 120.2337 56.9747 30.3737 176.4525 20 I 4.6324 8.4453 123.5436 59.5698 40.0467 174.5007 21 F 5.1908 9.0314 124.8316 55.7974 41.6887 174.9773 22 Q 4.6292 9.0671 121.8642 53.4136 32.5424 172.7359 23 P 4.7508 0.0000 0.0000 63.1200 31.6322 176.0247 24 L 4.5606 9.4355 123.8469 55.7644 43.6697 176.9732 25 L 4.7447 7.6683 119.6793 53.3746 45.7663 174.8660 26 E 5.1584 8.8641 124.5798 54.8418 32.5946 175.2258 27 R 4.6443 9.1523 125.1851 54.2141 34.5224 175.4462 28 K 4.1178 8.5722 120.9448 56.1857 31.8485 176.9264 29 G 3.9955 9.5671 111.4652 44.7489 0.0000 172.1224 30 L 4.8712 8.0410 121.5714 53.4489 46.0059 174.3224 31 K 5.0417 9.2879 127.2461 54.7085 35.7277 174.5119 32 I 5.1339 8.9543 128.4767 59.5178 39.7928 174.4898 33 E 5.0770 9.2862 124.3418 54.6132 33.6444 174.3088 34 R 4.8209 8.9810 122.3372 55.6791 31.9465 174.9961 35 I 4.6925 8.5613 126.2011 59.4074 40.7100 174.4630 36 I 4.9067 8.5187 127.3095 59.9246 39.4813 174.9942 37 S 5.1905 9.2874 123.8767 56.4654 65.6287 174.1730 38 N 5.0106 9.3045 117.8514 52.1445 39.0139 175.5659 39 G 4.0490 8.4507 104.8991 44.9783 0.0000 172.5392 40 Q 4.5233 7.7843 118.2564 55.5706 30.4791 174.4210 41 A 5.0018 8.1883 121.1873 50.1305 22.8907 176.0223 42 S 4.2438 8.8828 116.2798 57.7199 63.5500 173.5328 43 P 4.3414 0.0000 0.0000 61.6582 31.8202 173.9074 44 P 4.2999 0.0000 0.0000 64.6264 31.4624 177.1085 45 G 3.9854 8.8305 110.0857 45.5665 0.0000 172.7504 46 F 4.5200 7.8498 122.3637 56.7359 40.2279 174.7781 47 W 4.6332 7.4098 126.4500 54.6996 32.6624 174.7219 48 Y 4.1084 8.6525 121.8602 58.2352 39.2324 174.9752 49 D 4.4872 8.6847 122.7694 53.7276 43.4760 173.1780 50 S 5.1721 8.5443 120.7598 55.6453 64.9125 172.7152 51 P 4.2440 0.0000 0.0000 63.9686 31.8505 175.8782 52 Q 4.7256 7.8631 118.9075 54.3125 31.6795 175.0405 53 D 4.8777 8.8715 121.5255 54.4998 42.6659 175.0731 54 E 5.1268 9.1219 120.9475 54.2822 33.5086 173.8678 55 W 5.2799 9.4308 135.0000 55.7211 33.3276 174.5862 56 V 5.1031 8.0388 125.8023 58.7502 35.6197 174.2675 *58 V 3.5440 8.0944 118.7742 63.0416 31.8021 175.6005 59 V 4.1538 8.8102 128.3324 64.5965 32.6903 175.7575 60 S 4.4723 7.7135 112.8309 57.7594 65.8144 174.6068 61 G 4.0372 10.3349 110.5706 45.3634 0.0000 172.6555 62 S 4.5634 8.1230 113.6595 57.9430 66.8027 174.4615 63 A 3.9364 7.7092 121.4798 50.7934 22.9431 175.0070 64 G 3.3680 7.0167 105.8304 44.1695 0.0000 172.1313 65 I 4.9923 8.4053 126.0371 59.3907 40.3995 174.0888 66 E 4.9598 8.9531 127.7191 54.7794 31.7447 174.4424 67 C 5.3642 9.5630 125.0679 57.9896 30.8052 173.0638 68 E 4.0975 8.8926 124.0478 57.5111 29.5754 176.9178 69 G 4.0718 8.8922 114.2163 45.5739 0.0000 173.7416 70 D 4.5058 7.8236 121.7445 55.2015 41.2570 177.6362 71 T 4.0952 8.5182 114.5087 63.3490 68.9515 173.6315 72 A 4.6815 7.4381 119.2213 50.6391 21.8061 174.0233 73 P 4.6353 0.0000 0.0000 62.9728 32.5252 176.2896 74 R 4.2972 9.0887 122.7079 55.7481 31.4195 177.1597 75 V 4.4067 8.1278 124.0156 61.5243 33.6051 174.5176 *77 R 4.0287 8.2424 119.8262 54.7179 30.9932 173.2477 78 P 4.4211 0.0000 0.0000 64.9310 31.4031 176.8396 79 G 4.1174 9.2752 112.4069 45.3924 0.0000 173.5569 80 D 4.4440 7.8679 120.4724 53.7173 41.2600 175.6832 81 W 4.9528 7.9106 119.7996 54.4242 31.3928 174.2026 82 L 4.5270 8.4109 120.7965 53.8784 45.3472 173.9275 83 H 5.2755 9.0275 125.9935 54.7914 31.5272 173.9525 84 V 4.1870 8.8804 126.8159 60.3649 33.1255 173.2740 85 P 4.9113 0.0000 0.0000 61.7961 32.8344 176.0572 86 A 4.4861 8.6967 124.4869 53.6483 18.5468 178.3482 87 H 4.8811 8.9918 118.0158 56.3659 27.6603 174.6437 88 C 4.3859 7.8937 121.1454 59.1048 31.9464 173.1273 89 R 5.3160 8.8514 125.3455 55.4816 31.7252 175.0559 90 H 5.9305 8.8598 117.0904 55.2812 32.6219 171.7111 91 R 4.8439 8.9422 114.0555 55.3139 33.3888 173.9975 92 V 4.5079 8.8141 120.5536 61.7245 32.0785 176.3581 93 A 4.3102 8.9895 131.9356 54.6778 19.0492 177.0826 94 W 5.0733 7.2980 109.7666 56.0743 31.4124 173.6517 95 T 5.1767 8.2588 107.2403 59.3781 72.2182 172.5267 96 D 4.5030 8.9312 122.2900 55.5242 40.9919 177.1938 97 G 3.8224 9.1558 113.9618 46.8518 0.0000 174.1974 98 G 3.9996 8.3280 107.4636 45.4737 0.0000 172.7808 99 E 4.6896 7.6427 115.5979 54.4051 32.0978 172.8987 100 P 4.6558 0.0000 0.0000 63.0167 32.4122 176.1493 101 T 4.4918 8.8310 120.5344 62.1448 70.5120 173.7371 102 V 4.7316 8.3663 127.4678 61.1506 33.4078 174.5610 103 W 5.0782 9.3581 128.0941 54.7856 32.5563 174.4134 104 L 5.3003 8.6639 123.8161 53.3584 44.1831 174.8017 105 A 5.1516 9.1764 127.5552 50.1100 22.6529 174.6134 106 V 4.7743 9.4337 121.4535 61.3921 34.7189 173.8590 107 H 5.5173 9.5870 125.5712 54.2703 31.1490 173.3352 108 C 5.5943 8.6453 116.7754 56.0092 33.7329 173.0210 109 D 4.8244 8.6280 118.3836 54.0687 41.1364 176.6443 110 A 4.4149 8.4807 124.1197 51.3202 19.4435 177.7164 111 A 4.1946 8.5086 121.0364 52.8643 18.3737 177.7177 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 D 8.35 4.63 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 3 P 0.00 4.29 0.00 2.27 2.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 4 K 8.26 4.58 0.00 1.63 1.65 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.41 7.81 5 H 8.06 5.03 0.00 3.22 3.24 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.94 4.04 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 0.00 0.00 0.00 7 N 8.22 4.89 0.00 2.71 2.65 0.00 0.00 6.93 6.66 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 8 L 8.47 3.95 0.00 0.97 1.14 0.75 0.81 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 9 F 8.32 4.73 0.00 3.19 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 10 A 7.73 4.27 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 11 D 8.55 4.31 0.00 2.82 2.74 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 12 V 7.63 3.87 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 0.85 0.00 0.00 1.05 0.00 0.00 13 P 0.00 4.48 0.00 2.24 2.02 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 14 V 8.00 3.86 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 0.79 0.00 0.00 0.95 0.00 0.00 15 G 9.26 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 16 A 7.38 4.11 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 17 P 0.00 4.40 0.00 2.06 2.14 0.00 3.63 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 2.13 0.00 18 D 7.60 5.10 0.00 2.64 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 19 E 8.68 4.36 0.00 1.98 1.69 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 0.00 2.47 2.39 0.00 20 I 8.45 4.63 1.85 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 1.24 1.05 0.94 0.00 0.00 21 F 9.03 5.19 0.00 2.81 2.95 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 0.00 0.00 0.00 0.00 22 Q 9.07 4.63 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 23 P 0.00 4.75 0.00 2.17 2.08 0.00 3.77 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 2.00 2.02 0.00 24 L 9.44 4.56 0.00 1.46 1.74 0.92 0.84 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 25 L 7.67 4.74 0.00 1.70 1.43 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.86 5.16 0.00 1.83 1.81 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 2.20 2.31 0.00 27 R 9.15 4.64 0.00 1.75 1.75 0.00 3.28 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 28 K 8.57 4.12 0.00 1.77 1.62 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.02 7.81 29 G 9.57 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 0.00 0.00 0.00 30 L 8.04 4.87 0.00 1.73 1.46 0.90 0.48 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 31 K 9.29 5.04 0.00 1.84 1.64 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 32 I 8.95 5.13 1.88 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 1.28 0.89 0.93 0.00 0.00 33 E 9.29 5.08 0.00 2.18 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 2.46 2.36 0.00 34 R 8.98 4.82 0.00 1.89 1.82 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 35 I 8.56 4.69 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.57 0.02 0.00 0.00 36 I 8.52 4.91 1.86 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 1.21 1.12 0.94 0.00 0.00 37 S 9.29 5.19 0.00 3.92 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 38 N 9.30 5.01 0.00 2.77 2.73 0.00 0.00 7.16 7.55 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 39 G 8.45 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 0.00 0.00 0.00 40 Q 7.78 4.52 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 41 A 8.19 5.00 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 42 S 8.88 4.24 0.00 3.71 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 43 P 0.00 4.34 0.00 2.17 2.09 0.00 3.28 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 44 P 0.00 4.30 0.00 2.06 2.07 0.00 3.73 0.00 0.00 3.64 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 45 G 8.83 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 46 F 7.85 4.52 0.00 2.88 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 47 W 7.41 4.63 0.00 2.89 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 48 Y 8.65 4.11 0.00 2.65 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 49 D 8.68 4.49 0.00 2.68 2.51 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 50 S 8.54 5.17 0.00 3.97 3.77 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 51 P 0.00 4.24 0.00 2.22 2.18 0.00 3.79 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 1.98 1.99 0.00 52 Q 7.86 4.73 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 8.87 4.88 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 5.13 0.00 1.99 1.68 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 2.12 2.14 0.00 55 W 9.43 5.28 0.00 3.41 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 56 V 8.04 5.10 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 1.08 0.00 0.00 1.08 0.00 0.00 *58 V 8.09 3.54 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 0.45 0.00 0.00 0.09 0.00 0.00 59 V 8.81 4.15 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 0.80 0.00 0.00 0.95 0.00 0.00 60 S 7.71 4.47 0.00 4.20 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 61 G 10.33 4.04 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 0.00 0.00 0.00 62 S 8.12 4.56 0.00 3.95 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 63 A 7.71 3.94 0.94 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 0.00 0.00 64 G 7.02 3.37 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 0.00 65 I 8.41 4.99 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 1.02 0.00 0.00 66 E 8.95 4.96 0.00 2.07 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 2.48 2.39 0.00 67 C 9.56 5.36 0.00 3.21 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 68 E 8.89 4.10 0.00 1.30 1.58 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 1.96 1.54 0.00 69 G 8.89 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 70 D 7.82 4.51 0.00 2.86 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 71 T 8.52 4.10 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 72 A 7.44 4.68 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 73 P 0.00 4.64 0.00 2.14 2.06 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 74 R 9.09 4.30 0.00 1.68 1.81 0.00 3.07 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 75 V 8.13 4.41 2.16 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 1.09 0.00 0.00 1.20 0.00 0.00 *77 R 8.24 4.03 0.00 1.91 1.88 0.00 3.22 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 78 P 0.00 4.42 0.00 2.03 2.21 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 79 G 9.28 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.87 4.44 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.91 4.95 0.00 2.24 2.51 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 82 L 8.41 4.53 0.00 1.60 1.39 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.03 5.28 0.00 3.56 3.42 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.88 4.19 1.95 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 0.81 0.00 0.00 0.74 0.00 0.00 85 P 0.00 4.91 0.00 2.10 1.96 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 86 A 8.70 4.49 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 87 H 8.99 4.88 0.00 3.32 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.89 4.39 0.00 3.01 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 89 R 8.85 5.32 0.00 1.58 1.85 0.00 3.32 0.00 0.00 3.30 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 90 H 8.86 5.93 0.00 3.40 3.50 0.00 5.48 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.94 4.84 0.00 1.53 1.45 0.00 2.21 0.00 0.00 2.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.18 0.00 92 V 8.81 4.51 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 0.96 0.00 0.00 0.92 0.00 0.00 93 A 8.99 4.31 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 94 W 7.30 5.07 0.00 3.47 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 95 T 8.26 5.18 4.37 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 1.51 0.00 0.00 96 D 8.93 4.50 0.00 3.00 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 97 G 9.16 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 0.00 0.00 0.00 98 G 8.33 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 0.00 0.00 0.00 99 E 7.64 4.69 0.00 2.05 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 2.37 2.32 0.00 100 P 0.00 4.66 0.00 2.00 2.05 0.00 3.67 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 2.06 2.14 0.00 101 T 8.83 4.49 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 0.51 0.00 0.00 102 V 8.37 4.73 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 0.77 0.00 0.00 1.02 0.00 0.00 103 W 9.36 5.08 0.00 3.13 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 0.00 104 L 8.66 5.30 0.00 1.82 1.69 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.18 5.15 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 0.00 106 V 9.43 4.77 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 1.04 0.00 0.00 0.98 0.00 0.00 107 H 9.59 5.52 0.00 3.06 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.65 5.59 0.00 2.98 2.99 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 0.00 109 D 8.63 4.82 0.00 2.59 2.65 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 0.00 0.00 0.00 0.00 110 A 8.48 4.41 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 0.00 111 A 8.51 4.19 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 * Residues marked with a * may have inaccurate shift predictions.