NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.4423 8.3044 118.1991 55.1539 32.6057 173.5832 9 R 4.3929 8.1921 118.3323 53.7800 31.9633 173.4904 10 I 4.0645 8.5105 127.3544 61.7419 38.4294 175.7061 11 T 4.6754 8.3850 116.5236 61.4818 69.2503 174.7350 12 Q 4.2240 8.0381 120.6263 56.8748 29.7969 176.5221 13 G 4.1014 8.4733 104.8889 46.3049 0.0000 174.2817 14 T 3.7592 8.1627 117.8182 65.5265 68.6629 175.4852 15 F 5.1736 7.7444 118.9420 57.3728 40.1995 176.3869 16 S 4.5193 8.5150 115.9318 60.2119 62.6920 174.9650 17 F 4.2780 8.2810 118.1581 57.8914 39.4352 175.6871 18 L 4.6255 7.5683 120.5999 52.2947 43.1316 174.4695 19 P 4.4521 0.0000 0.0000 62.1631 31.7962 176.5050 20 D 4.4394 8.6552 120.1842 54.7765 41.1215 177.1097 21 L 4.2494 8.5072 124.2982 55.0331 42.4291 177.6911 22 T 4.3725 8.6408 113.4752 60.9813 71.3404 175.8645 23 D 4.3670 8.5050 120.9688 57.3600 40.7550 178.6949 24 E 3.9261 8.1080 119.4939 59.3206 29.7245 178.7575 25 Q 3.8917 7.8177 118.1279 59.0395 28.7954 178.7292 26 I 3.7359 7.9207 120.8909 64.3064 37.0402 178.2097 27 K 3.9445 8.4073 120.7303 59.7407 32.0950 178.9541 28 K 4.3597 7.9184 119.8376 58.8001 31.9673 179.4376 29 Q 4.0689 8.0358 118.5933 58.8256 28.4587 178.7354 30 I 3.9412 7.9085 121.1712 64.3239 37.1680 178.0360 31 D 4.4084 7.9481 119.7019 57.5233 40.6934 177.9641 32 Y 4.2482 7.9860 119.5105 61.2535 38.8131 177.9904 33 M 3.8013 8.3155 119.2485 58.6015 32.0575 178.9998 34 I 3.7104 8.1998 120.2947 64.4197 37.1146 178.6131 35 S 4.1450 8.3037 114.0469 60.6023 62.5815 175.5729 36 K 4.3288 7.3222 120.2372 55.2407 33.6734 176.6089 37 K 3.8178 7.7119 116.1923 57.3353 30.1394 174.6489 38 L 4.9160 7.6285 116.9831 53.2905 44.1715 178.0162 39 A 4.4094 8.9212 124.5367 51.7858 19.9749 176.3985 40 I 4.8425 8.8311 124.1793 59.6964 39.6019 175.2794 41 G 4.4963 9.2297 113.0702 44.4593 0.0000 171.1819 42 I 5.1914 8.3723 121.1553 59.4041 40.4091 174.5844 43 E 5.5882 9.3168 125.1033 55.3298 34.4798 173.8849 44 Y 6.1155 9.3404 118.4342 57.4278 41.8671 173.4572 45 T 4.8623 8.0414 109.6491 61.0650 72.1030 172.8168 46 N 5.2017 8.5967 116.4050 52.4785 38.0781 174.4927 47 D 4.6561 7.4834 119.4077 53.0753 41.2762 174.9060 48 I 4.2765 7.6991 120.3912 60.5314 38.1068 176.5494 49 H 4.4413 8.3007 121.6691 56.5985 30.0485 174.1716 50 P 4.4987 0.0000 0.0000 65.3011 31.1522 176.9429 51 R 4.2651 8.0026 116.5076 56.4788 30.0269 175.4878 *64 N 5.0368 7.9631 116.9018 53.4542 38.9019 174.4406 65 A 3.5545 7.9423 123.5161 53.7075 19.0348 177.8616 66 Y 4.7953 7.0194 113.4251 55.5893 37.7491 175.4840 67 W 4.5683 8.3767 123.3187 56.0320 30.8173 175.3886 68 E 4.0233 8.9843 122.1950 56.4747 29.7005 176.8326 69 I 4.2489 8.2988 125.2603 60.9863 38.4121 175.9407 70 W 4.6536 9.0154 135.0000 56.5157 30.4359 176.9946 71 G 3.6790 8.0662 116.2764 44.2355 0.0000 170.7617 72 L 4.3434 8.1035 120.0936 53.4061 43.0723 175.3754 73 P 4.3724 0.0000 0.0000 61.9894 32.2997 176.0239 74 L 4.1080 8.6070 121.7797 54.8244 41.9163 177.7828 75 F 4.3937 8.9269 122.8970 59.7993 39.5321 178.0462 76 D 5.0498 7.8715 118.2367 53.1325 41.4578 176.7110 77 V 3.6990 7.9627 117.5229 64.1975 31.9943 175.2486 78 T 4.3133 8.4791 119.9619 64.3746 71.4225 173.4425 79 D 4.7036 7.8721 122.3045 51.9156 41.0416 174.6641 80 P 4.5956 0.0000 0.0000 65.8010 30.9896 178.0008 81 A 4.0424 8.2661 120.0184 54.8378 18.4625 179.2107 82 A 4.0461 8.5621 120.1715 55.2161 18.4377 179.9711 83 V 3.8146 7.7037 116.3963 65.8911 31.6840 178.0671 84 L 4.0636 8.2782 119.0461 57.6281 41.4154 179.0338 85 F 4.1301 8.3303 120.5787 61.6747 39.3225 177.1445 86 E 4.2254 8.1549 116.8309 59.3178 29.1443 179.6750 87 I 3.5333 7.7502 120.0294 64.5039 37.2533 178.2498 88 N 4.1831 8.3429 117.1799 55.6315 38.3368 177.4809 89 A 3.6920 8.0215 122.8082 55.2040 18.4959 179.1441 90 C 2.0000 7.3883 117.1662 61.9376 31.2096 175.8024 91 R 3.6780 7.6546 119.7428 59.2024 29.3585 178.9728 92 K 3.8330 7.6467 118.2067 59.2834 32.2624 178.4955 93 A 4.1191 7.3716 120.0638 53.6878 19.4203 177.7561 94 R 4.2822 8.0647 115.9169 54.5998 30.8263 176.7833 95 S 4.2312 8.4330 114.2694 60.3821 63.5807 175.9709 96 N 4.7762 7.9797 117.6775 51.8397 37.0063 173.9768 97 F 4.7080 7.6067 114.9276 56.5998 43.9664 175.7973 98 Y 4.3096 8.8350 119.2908 58.0021 39.2788 174.8457 99 I 5.5566 8.7732 123.5055 59.5172 41.0508 174.6674 100 K 5.0472 9.5635 125.2973 55.0152 36.6079 174.9774 101 V 4.6298 7.8971 120.6504 61.0006 34.2469 174.4473 102 V 4.8453 8.9608 127.2288 60.9585 35.0879 174.1599 103 G 4.4447 9.0353 114.2050 44.5287 0.0000 171.6098 104 F 5.2747 9.4790 129.0155 56.5684 41.9566 174.1541 105 S 4.7542 8.1640 120.5664 56.4169 64.5303 174.2743 106 S 4.5102 8.4669 121.6311 58.1182 63.2475 174.3474 107 V 3.6511 7.3139 121.3870 62.7634 31.7528 176.9991 107A R 3.8464 8.6580 127.3503 59.3406 29.9987 177.0283 107B G 3.8346 7.9277 103.6283 46.0224 0.0000 173.6088 108 I 3.9228 7.4306 120.5636 59.7655 38.5550 175.8510 109 E 3.9519 7.6721 120.1102 55.4165 27.5048 173.5409 110 S 4.6353 6.3728 110.4797 57.5767 65.7198 172.7118 111 T 4.5707 8.4640 119.3035 63.5625 68.4829 174.7574 112 I 4.4289 8.0836 118.3033 59.9196 38.4248 174.9736 113 I 4.1563 7.3596 117.7310 60.8361 41.4456 173.1193 114 S 4.9193 8.2701 124.3197 57.5589 65.2304 172.6621 115 F 5.3627 8.4946 122.6769 54.7690 41.3397 174.3672 116 I 4.4499 8.6870 121.8614 61.6027 37.5017 176.0981 117 V 4.5857 8.7740 118.6067 60.6210 33.4328 174.9229 118 N 4.5901 7.8351 116.6438 53.3008 41.9131 173.5408 119 R 4.2647 8.2693 122.5951 53.5276 34.3787 173.3018 120 P 4.2156 0.0000 0.0000 61.9806 32.2117 176.4979 121 K 3.9221 8.6155 119.3429 59.4288 32.0446 176.6442 122 H 4.8576 8.0148 115.7124 53.9892 32.3772 172.2467 123 E 4.6953 8.3578 126.3886 53.6816 30.5872 173.5431 124 P 4.2201 0.0000 0.0000 64.0215 32.1058 176.8082 125 G 3.7825 9.2621 104.0541 43.7212 0.0000 171.7691 126 F 5.1358 8.5899 116.6748 55.7046 42.6694 174.3808 127 N 4.9983 8.8724 119.0121 51.1716 41.4323 173.4027 128 L 5.1284 8.4781 125.5678 53.7148 44.7176 175.2115 129 M 4.4817 9.0522 126.8632 54.4008 33.9837 175.8398 130 R 4.0367 8.4657 122.4145 54.1818 31.1086 173.3966 131 Q 4.1564 8.5645 124.5078 54.9423 30.2585 174.4849 132 E 4.2182 8.7667 127.3164 55.7181 29.7790 175.9609 133 D 4.8741 8.5090 124.7979 53.9324 40.9083 177.5564 134 K 4.2004 8.6067 116.8186 57.2580 34.1628 176.9875 135 S 3.5800 8.8017 119.2279 60.0813 62.0650 174.0404 136 R 4.4714 8.9493 127.9886 56.8337 31.5969 176.3743 137 S 4.3984 8.1364 115.4111 58.9590 63.9605 173.4787 138 I 4.8961 8.2323 122.2676 59.4053 40.9392 175.0741 139 K 4.4921 8.6429 125.0706 55.1319 33.7686 175.2184 140 Y 5.3545 8.6187 122.6659 56.6864 39.9132 175.5162 141 T 4.7713 8.3964 117.2489 62.1318 73.1257 172.6612 142 I 4.9793 8.5767 126.4510 59.7910 39.7772 174.5329 143 H 5.0019 8.9144 125.9829 54.0838 33.1836 172.8986 144 S 4.2685 8.6112 120.3196 58.0921 63.6640 174.4902 145 Y 4.5015 8.5579 121.3939 61.4695 37.6024 178.9717 146 E 3.9799 8.0098 118.8789 59.0096 29.3172 178.6453 147 S 4.2663 7.4003 112.9097 59.9435 62.9458 174.9338 148 Y 4.3809 7.7236 118.7259 57.7888 38.1735 175.0754 149 K 4.7077 7.1753 119.4733 53.3564 35.1171 174.3290 150 P 4.4870 0.0000 0.0000 62.4774 32.4688 177.0477 151 E 3.8958 9.1008 120.1404 59.9984 29.3680 179.0959 152 D 4.6643 8.1341 112.7884 54.2921 39.1598 176.0351 153 E 4.6399 8.0832 116.8514 56.0978 31.0886 176.0563 154 R 4.1197 7.7998 118.3748 56.5427 31.0913 176.2438 155 Y 3.9532 9.0335 119.1043 58.7329 38.6031 170.5791 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 8 M 8.30 4.44 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 9 R 8.19 4.39 0.00 1.81 1.76 0.00 3.17 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 10 I 8.51 4.06 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 0.93 0.00 0.00 11 T 8.39 4.68 4.54 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 0.00 0.00 1.05 0.00 0.00 12 Q 8.04 4.22 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 G 8.47 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.16 3.76 3.25 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 0.29 0.00 0.00 15 F 7.74 5.17 0.00 3.10 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 16 S 8.52 4.52 0.00 4.03 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 0.00 17 F 8.28 4.28 0.00 3.03 3.17 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 0.00 18 L 7.57 4.63 0.00 1.85 1.64 0.94 1.15 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 4.45 0.00 2.04 1.99 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 20 D 8.66 4.44 0.00 2.67 2.67 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 0.00 0.00 0.00 21 L 8.51 4.25 0.00 1.70 1.60 0.85 0.75 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 22 T 8.64 4.37 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 1.20 0.00 0.00 23 D 8.50 4.37 0.00 2.80 2.78 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 0.00 0.00 0.00 0.00 24 E 8.11 3.93 0.00 1.99 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 2.38 2.34 0.00 25 Q 7.82 3.89 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 I 7.92 3.74 2.08 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 1.64 0.90 1.12 0.00 0.00 27 K 8.41 3.94 0.00 1.97 2.02 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.92 4.36 0.00 1.96 1.80 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 29 Q 8.04 4.07 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.26 1.81 0.00 30 I 7.91 3.94 2.13 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 1.70 1.11 0.99 0.00 0.00 31 D 7.95 4.41 0.00 2.88 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 32 Y 7.99 4.25 0.00 3.11 3.28 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 33 M 8.32 3.80 0.00 2.16 2.33 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 2.80 0.00 34 I 8.20 3.71 2.08 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 1.61 0.81 0.92 0.00 0.00 35 S 8.30 4.14 0.00 3.95 4.11 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 36 K 7.32 4.33 0.00 1.40 1.67 0.00 1.43 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.02 7.81 37 K 7.71 3.82 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 L 7.63 4.92 0.00 1.55 1.70 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.92 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 40 I 8.83 4.84 1.87 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 1.20 0.87 0.94 0.00 0.00 41 G 9.23 4.50 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 0.00 0.00 0.00 42 I 8.37 5.19 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.85 0.00 0.00 43 E 9.32 5.59 0.00 1.93 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 2.30 2.29 0.00 44 Y 9.34 6.12 0.00 3.17 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 T 8.04 4.86 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 0.87 0.00 0.00 46 N 8.60 5.20 0.00 2.77 2.21 0.00 0.00 5.70 8.06 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 47 D 7.48 4.66 0.00 2.60 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 48 I 7.70 4.28 1.70 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.38 -0.07 0.00 0.00 49 H 8.30 4.44 0.00 3.43 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.75 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 4.50 0.00 2.12 2.06 0.00 3.21 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 51 R 8.00 4.27 0.00 1.91 1.97 0.00 3.31 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 *64 N 7.96 5.04 0.00 2.90 3.04 0.00 0.00 7.57 8.15 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 65 A 7.94 3.55 0.72 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 0.00 0.00 66 Y 7.02 4.80 0.00 2.89 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 67 W 8.38 4.57 0.00 3.29 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 68 E 8.98 4.02 0.00 1.16 1.12 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 2.22 2.39 0.00 69 I 8.30 4.25 1.89 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 1.28 0.51 0.95 0.00 0.00 70 W 9.02 4.65 0.00 3.63 3.28 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 71 G 8.07 3.68 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 0.00 0.00 0.00 72 L 8.10 4.34 0.00 1.61 1.61 0.95 0.97 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 73 P 0.00 4.37 0.00 1.63 1.82 0.00 3.86 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 1.42 1.85 0.00 74 L 8.61 4.11 0.00 1.81 1.64 0.97 1.01 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 75 F 8.93 4.39 0.00 3.11 3.12 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 76 D 7.87 5.05 0.00 2.71 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 77 V 7.96 3.70 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 0.84 0.00 0.00 0.97 0.00 0.00 78 T 8.48 4.31 4.26 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 1.23 0.00 0.00 79 D 7.87 4.70 0.00 2.76 2.59 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 0.00 80 P 0.00 4.60 0.00 2.35 2.36 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 81 A 8.27 4.04 1.48 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 0.00 0.00 82 A 8.56 4.05 1.41 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 0.00 0.00 83 V 7.70 3.81 2.29 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 1.13 0.00 0.00 0.99 0.00 0.00 84 L 8.28 4.06 0.00 2.02 1.79 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.33 4.13 0.00 3.29 3.34 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 86 E 8.15 4.23 0.00 2.30 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 0.00 2.67 2.72 0.00 87 I 7.75 3.53 2.01 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 1.49 0.96 0.86 0.00 0.00 88 N 8.34 4.18 0.00 2.84 2.73 0.00 0.00 6.96 8.12 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 89 A 8.02 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 90 C 7.39 2.00 0.00 1.23 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 0.00 0.00 0.00 91 R 7.65 3.68 0.00 1.88 1.83 0.00 3.07 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 92 K 7.65 3.83 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 93 A 7.37 4.12 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 94 R 8.06 4.28 0.00 1.13 0.70 0.00 2.21 0.00 0.00 2.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 95 S 8.43 4.23 0.00 3.92 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 96 N 7.98 4.78 0.00 2.80 2.91 0.00 0.00 5.77 7.43 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 97 F 7.61 4.71 0.00 2.86 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 98 Y 8.84 4.31 0.00 2.67 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 99 I 8.77 5.56 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.92 0.00 0.00 100 K 9.56 5.05 0.00 1.64 1.80 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.09 1.03 7.81 101 V 7.90 4.63 0.85 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 0.82 0.00 0.00 0.74 0.00 0.00 102 V 8.96 4.85 2.03 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 1.03 0.00 0.00 0.77 0.00 0.00 103 G 9.04 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 5.27 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 0.00 105 S 8.16 4.75 0.00 3.70 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 0.00 106 S 8.47 4.51 0.00 3.97 3.95 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 0.00 107 V 7.31 3.65 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 0.90 0.00 0.00 0.89 0.00 0.00 107A R 8.66 3.85 0.00 1.80 1.97 0.00 3.28 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 107B G 7.93 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 0.00 108 I 7.43 3.92 1.74 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 1.22 0.45 0.79 0.00 0.00 109 E 7.67 3.95 0.00 2.06 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 0.00 2.28 2.46 0.00 110 S 6.37 4.64 0.00 3.81 3.60 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 0.00 111 T 8.46 4.57 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 1.26 0.00 0.00 112 I 8.08 4.43 1.88 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 1.17 0.73 0.83 0.00 0.00 113 I 7.36 4.16 2.07 0.00 0.00 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 1.60 1.39 1.12 0.00 0.00 114 S 8.27 4.92 0.00 3.84 3.57 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 0.00 115 F 8.49 5.36 0.00 3.28 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 0.00 116 I 8.69 4.45 2.06 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 1.22 0.00 0.00 117 V 8.77 4.59 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 0.79 0.00 0.00 0.94 0.00 0.00 118 N 7.84 4.59 0.00 2.66 2.55 0.00 0.00 6.89 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 0.00 119 R 8.27 4.26 0.00 1.61 1.39 0.00 3.40 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 120 P 0.00 4.22 0.00 1.67 1.20 0.00 2.20 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 121 K 8.62 3.92 0.00 1.76 1.94 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 122 H 8.01 4.86 0.00 3.05 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.36 4.70 0.00 1.99 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 2.37 0.00 124 P 0.00 4.22 0.00 2.12 2.07 0.00 3.71 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 2.15 2.06 0.00 125 G 9.26 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.59 5.14 0.00 2.80 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 0.00 127 N 8.87 5.00 0.00 2.06 2.69 0.00 0.00 6.51 7.17 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 0.00 128 L 8.48 5.13 0.00 1.70 1.61 1.10 1.01 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 0.00 129 M 9.05 4.48 0.00 1.99 1.99 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 2.62 2.73 0.00 130 R 8.47 4.04 0.00 1.59 1.67 0.00 3.22 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 131 Q 8.56 4.16 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 132 E 8.77 4.22 0.00 1.86 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 2.26 2.25 0.00 133 D 8.51 4.87 0.00 2.56 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 0.00 0.00 0.00 134 K 8.61 4.20 0.00 1.86 1.71 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.80 3.58 0.00 3.97 3.25 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 0.00 136 R 8.95 4.47 0.00 1.79 1.96 0.00 3.38 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 137 S 8.14 4.40 0.00 3.90 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 0.00 138 I 8.23 4.90 1.45 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 1.19 0.71 -0.11 0.00 0.00 139 K 8.64 4.49 0.00 1.58 1.71 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.51 7.81 140 Y 8.62 5.35 0.00 2.79 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 0.00 141 T 8.40 4.77 4.29 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 1.25 0.00 0.00 142 I 8.58 4.98 1.75 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.58 0.00 0.00 143 H 8.91 5.00 0.00 3.10 2.88 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.61 4.27 0.00 3.55 3.61 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 0.00 145 Y 8.56 4.50 0.00 3.10 3.07 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 0.00 146 E 8.01 3.98 0.00 1.49 1.41 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 1.94 1.47 0.00 147 S 7.40 4.27 0.00 3.65 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 0.00 148 Y 7.72 4.38 0.00 3.20 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 0.00 149 K 7.18 4.71 0.00 1.75 1.69 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 150 P 0.00 4.49 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 151 E 9.10 3.90 0.00 2.11 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 0.00 2.43 2.36 0.00 152 D 8.13 4.66 0.00 2.84 2.83 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 0.00 153 E 8.08 4.64 0.00 2.08 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 2.23 2.24 0.00 154 R 7.80 4.12 0.00 1.68 1.48 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 Y 9.03 3.95 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.