NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9723 8.2833 118.1688 52.2751 38.8329 175.1016 2 L 4.0854 8.2024 118.6172 57.3926 41.3815 179.1709 3 F 4.4350 8.8108 118.8686 60.7018 39.2605 177.2001 4 Q 4.6012 8.6300 119.1613 58.4859 28.4909 178.4655 5 F 4.5887 8.5116 121.8517 61.2658 39.3767 177.5062 6 G 3.5548 8.4697 105.7165 47.7252 0.0000 175.5385 7 E 4.1549 8.3806 121.1223 59.5567 29.4401 179.3928 8 M 4.5006 8.4614 118.8057 58.6831 32.0194 178.8953 9 I 3.5856 7.8153 119.9431 64.0942 37.1806 178.1995 10 L 4.2238 8.0143 122.6238 57.8090 41.7017 179.1821 11 Q 3.8631 7.7856 116.4889 58.7657 28.7069 178.3632 12 K 4.1924 8.2031 118.6374 58.0819 32.3048 177.8118 13 T 4.3942 7.9538 106.9621 60.1908 70.5242 175.4467 14 G 3.7775 8.1412 109.9598 45.8228 0.0000 173.2291 *16 K 4.2010 7.4118 117.7460 56.1569 33.3241 174.8642 17 E 4.5574 8.3883 121.4409 55.4350 29.7894 177.8564 18 V 3.7497 8.5835 118.7290 64.6534 31.7649 178.9704 19 V 3.8287 7.7840 110.8909 63.5033 31.5077 176.2775 20 H 5.0494 8.1980 116.7530 54.8657 30.1170 174.0108 21 S 4.8743 7.8244 115.5061 59.3759 68.8220 175.3336 22 Y 4.1963 8.7571 121.3899 60.0964 38.9725 178.4000 23 A 4.2643 8.4366 123.1288 54.1619 18.8130 178.5209 24 I 4.3191 7.9237 109.0045 60.6423 38.1755 173.9154 25 Y 4.9716 8.1567 122.4978 57.5940 40.6289 176.0147 26 G 3.5690 8.1669 115.7067 47.0638 0.0000 173.2696 27 C 4.6509 9.9312 116.1557 57.2765 41.5142 174.9216 28 Y 4.1349 8.7869 116.3456 59.2184 39.7870 176.5910 29 C 4.6413 8.8798 116.2588 59.2605 41.2334 174.0256 30 G 4.6442 7.9091 111.2511 45.1802 0.0000 174.7209 31 W 4.5843 9.0340 117.3380 56.0985 29.6323 175.3461 32 G 3.5524 8.4451 108.5759 44.7552 0.0000 173.1908 33 G 3.8853 7.6616 106.6690 44.9388 0.0000 172.9412 34 Q 4.4727 7.2715 115.1504 56.0960 31.2128 174.4236 35 G 3.9566 8.7603 107.2689 44.8645 0.0000 172.1629 36 R 4.5428 8.7581 118.9046 54.6310 31.0719 176.7002 37 A 4.5601 8.8315 128.5666 52.1398 18.3206 177.8969 38 Q 3.9864 8.8981 123.1433 58.9148 29.1505 175.5042 39 D 4.4973 7.2563 114.9427 51.3726 42.0482 175.5485 40 A 3.9842 8.6470 119.8316 55.7105 18.3507 179.5611 41 T 3.8540 8.0543 113.8808 67.1034 68.5643 175.9304 42 D 4.5133 8.5716 119.5413 57.5565 41.2517 178.4681 43 R 4.0148 8.4383 118.9330 59.4515 30.0224 178.4284 44 C 4.3503 8.2567 116.4201 60.2712 40.8233 175.5497 45 C 4.2915 8.2602 117.7139 59.6423 40.9017 175.8692 46 F 4.1778 8.2565 122.4977 61.4166 38.8841 177.2774 47 V 3.2470 7.7636 117.7963 66.0806 31.2047 177.5080 48 H 3.8670 7.9831 117.8753 59.2273 29.5083 176.7791 49 D 4.2234 7.8503 119.5112 57.6172 40.9496 178.0467 50 C 4.2010 7.7614 116.6502 60.1235 35.6327 175.1331 51 C 4.0053 7.9705 120.0281 60.2273 42.5765 175.4202 52 Y 4.2167 8.3681 118.2691 60.6858 37.1508 178.4408 53 G 3.7117 7.8732 106.1602 47.0599 0.0000 174.9601 54 T 4.2247 7.6031 110.0179 61.4580 69.5578 174.6376 55 V 4.1452 7.0654 122.6004 61.8002 32.6844 175.0061 56 N 4.7145 8.4431 121.7961 54.2377 41.2447 175.7852 *58 D 4.8590 8.2655 114.6823 53.8629 42.9215 173.7565 59 C 4.6360 7.3752 112.5148 53.5725 43.0854 172.5849 *61 N 4.8719 8.7404 117.4922 53.0970 38.6983 172.8286 *68 P 4.0984 0.0000 0.0000 62.3815 33.4418 177.8937 69 K 4.1016 8.1352 120.4686 58.4159 32.2597 178.0882 70 T 4.2601 7.5965 106.3549 61.5873 70.2762 174.5044 71 A 3.9183 8.1203 126.3008 52.7441 18.5235 176.7316 72 T 4.2969 8.4604 120.7593 62.5294 69.2786 173.9786 73 Y 4.9048 7.9608 125.2623 55.2392 40.8423 174.4213 74 S 5.1328 9.7210 115.8027 57.1193 65.2584 173.5204 75 Y 5.5515 8.4531 121.3496 56.1404 41.1691 173.4759 76 S 4.1075 9.1154 114.0308 57.0659 67.3750 172.4201 77 F 5.4640 8.4159 118.7610 56.0272 40.4059 175.7261 78 E 4.6342 9.0704 122.8632 56.0063 33.1975 175.3104 79 N 4.2604 9.7953 119.8391 54.2024 36.2200 174.4025 80 G 3.9297 8.4377 102.6207 46.5886 0.0000 173.4853 81 D 5.0095 8.8880 119.4167 52.0364 43.8680 174.2923 82 I 5.0120 8.2229 122.2210 59.5016 39.2214 175.4535 83 V 4.3743 8.8894 127.1933 61.3068 34.0015 173.4084 84 C 5.0413 8.9562 125.8607 55.6436 41.2507 173.9175 85 G 4.0189 8.7763 111.3912 45.1731 0.0000 173.0533 86 D 4.4205 7.8062 119.0378 54.4102 41.5970 176.0422 *88 N 4.6937 8.5677 118.1331 53.4800 40.4815 174.9443 89 D 4.3016 7.9707 118.9546 54.2043 41.7033 176.6525 90 L 3.9128 8.7329 128.5998 59.4898 40.1436 179.8672 91 C 4.1959 8.1894 118.7392 59.2489 44.2901 175.3832 92 L 3.9514 8.5463 120.9934 57.5484 41.1104 179.4014 93 R 3.7561 8.1371 118.7945 59.7683 29.9710 178.4825 94 T 3.6838 8.0155 115.7317 66.7066 68.3311 176.7045 95 V 3.4134 7.6051 119.7673 66.0337 31.6589 176.9041 96 C 2.6816 7.6775 118.3748 59.6454 43.0485 175.6613 97 E 3.7520 8.6639 120.6070 59.3723 29.0120 178.6510 98 C 4.1463 8.3136 116.9611 60.2132 39.4801 175.9747 99 D 3.5068 8.0973 120.6017 56.8157 40.2747 178.9246 100 R 3.8079 7.9095 119.0551 59.4356 30.1267 178.2463 101 A 3.9611 8.1724 120.6605 55.2958 18.2482 179.5322 102 A 3.9165 7.9917 118.7681 55.1236 18.5018 179.7865 103 A 3.9094 8.5196 119.7306 55.3490 18.4134 179.9516 104 I 3.6710 7.9279 118.3956 64.6267 36.9541 177.7207 105 C 4.2075 8.1529 118.3443 59.8821 38.3069 175.4875 106 L 4.0073 8.4406 120.8912 57.2197 40.8815 179.7412 107 G 3.5884 7.9955 106.0847 47.8719 0.0000 175.3353 108 Q 4.4736 8.2224 117.8731 56.6633 28.9919 176.3415 109 N 5.1260 7.7185 117.0208 52.9122 40.2336 176.8419 110 V 3.8923 7.6838 113.9919 64.1113 31.6718 177.9228 111 N 4.6187 8.2687 115.8640 54.5328 37.2575 175.3338 112 T 4.4885 7.6866 107.9031 60.9394 69.6628 173.6002 113 Y 3.8961 7.6636 123.5394 58.5494 39.1647 174.9320 114 D 4.9322 9.2430 126.7164 52.2012 43.1581 176.5856 115 K 4.3997 8.6975 126.0826 58.5650 32.3261 178.5128 116 N 4.4113 9.1876 117.1172 55.4092 38.5897 175.3544 117 Y 4.0716 7.6611 115.8711 58.0412 37.9648 174.7975 118 E 4.3911 7.8203 121.3505 57.2693 29.9836 176.2093 119 Y 3.7147 8.7105 120.7667 59.1752 34.8117 170.3613 120 Y 4.3509 8.0925 124.1390 60.3809 39.4078 177.7942 121 S 4.4054 8.4247 114.5422 61.2666 63.4140 176.1736 122 I 3.5087 7.3976 121.5387 63.6538 37.7728 177.2879 *124 S 5.0613 7.7499 111.3023 58.0448 64.2676 173.1281 125 H 4.3796 7.0965 119.4407 55.8032 30.5288 173.3817 126 C 4.2914 8.8381 117.3989 59.7214 37.4531 173.7429 127 T 4.1331 7.1792 111.2102 63.8460 68.6314 175.0796 128 E 4.3391 7.7740 121.9765 55.3397 31.2661 175.5000 129 E 4.0596 8.7370 121.5522 57.4584 29.8752 176.6398 130 S 5.1616 8.4732 121.6112 56.8139 64.3128 174.1156 131 E 3.8763 8.1162 122.0946 56.5714 29.6095 176.8484 132 Q 4.7351 8.0850 119.3220 54.1013 32.3273 176.3297 133 C 4.4988 9.1262 118.4252 57.4065 41.2115 173.5625 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 N 8.28 4.97 0.00 3.09 3.14 0.00 0.00 6.14 5.79 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 2 L 8.20 4.09 0.00 1.59 1.77 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.81 4.44 0.00 3.37 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 4 Q 8.63 4.60 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 5 F 8.51 4.59 0.00 3.35 3.24 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 6 G 8.47 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 7 E 8.38 4.15 0.00 2.49 2.37 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 2.49 2.69 0.00 8 M 8.46 4.50 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.30 0.00 9 I 7.82 3.59 1.64 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.16 0.68 0.00 0.00 10 L 8.01 4.22 0.00 1.90 1.85 0.96 0.60 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 11 Q 7.79 3.86 0.00 2.23 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.08 1.38 0.00 12 K 8.20 4.19 0.00 1.69 1.85 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.65 7.81 13 T 7.95 4.39 4.33 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 0.00 0.00 1.16 0.00 0.00 14 G 8.14 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 *16 K 7.41 4.20 0.00 1.89 1.61 0.00 1.38 0.00 0.00 0.82 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.48 7.81 17 E 8.39 4.56 0.00 2.10 1.96 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 2.41 2.35 0.00 18 V 8.58 3.75 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 0.76 0.00 0.00 0.91 0.00 0.00 19 V 7.78 3.83 1.98 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 0.73 0.00 0.00 0.77 0.00 0.00 20 H 8.20 5.05 0.00 3.11 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.82 4.87 0.00 3.51 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 22 Y 8.76 4.20 0.00 2.96 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 23 A 8.44 4.26 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 24 I 7.92 4.32 1.54 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.80 0.00 0.00 25 Y 8.16 4.97 0.00 3.19 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 26 G 8.17 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 0.00 0.00 0.00 27 C 9.93 4.65 0.00 2.99 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 28 Y 8.79 4.13 0.00 3.35 3.23 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 0.00 29 C 8.88 4.64 0.00 3.48 3.49 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 30 G 7.91 4.64 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 31 W 9.03 4.58 0.00 3.26 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 32 G 8.45 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 33 G 7.66 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 34 Q 7.27 4.47 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 35 G 8.76 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 0.00 0.00 0.00 36 R 8.76 4.54 0.00 1.77 1.87 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 37 A 8.83 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.90 3.99 0.00 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.30 1.54 0.00 39 D 7.26 4.50 0.00 2.90 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 40 A 8.65 3.98 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 41 T 8.05 3.85 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 1.03 0.00 0.00 42 D 8.57 4.51 0.00 2.99 2.80 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 43 R 8.44 4.01 0.00 2.00 2.00 0.00 3.17 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 1.61 1.78 0.00 44 C 8.26 4.35 0.00 3.17 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 45 C 8.26 4.29 0.00 3.35 3.41 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 46 F 8.26 4.18 0.00 2.55 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 47 V 7.76 3.25 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 0.91 0.00 0.00 0.95 0.00 0.00 48 H 7.98 3.87 0.00 3.32 3.34 0.00 5.85 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 49 D 7.85 4.22 0.00 2.78 2.73 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 50 C 7.76 4.20 0.00 2.76 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 51 C 7.97 4.01 0.00 2.94 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 52 Y 8.37 4.22 0.00 2.88 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 53 G 7.87 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 0.00 0.00 0.00 54 T 7.60 4.22 4.20 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 1.23 0.00 0.00 55 V 7.07 4.15 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 0.72 0.00 0.00 0.88 0.00 0.00 56 N 8.44 4.71 0.00 2.71 2.74 0.00 0.00 7.12 8.08 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 *58 D 8.27 4.86 0.00 2.66 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 59 C 7.38 4.64 0.00 3.00 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 *61 N 8.74 4.87 0.00 2.72 2.75 0.00 0.00 7.40 7.71 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 *68 P 0.00 4.10 0.00 0.49 1.02 0.00 3.76 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 1.39 1.46 0.00 69 K 8.14 4.10 0.00 1.84 1.97 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.34 7.81 70 T 7.60 4.26 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 1.18 0.00 0.00 71 A 8.12 3.92 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.46 4.30 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 1.15 0.00 0.00 73 Y 7.96 4.90 0.00 3.14 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 74 S 9.72 5.13 0.00 3.79 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 75 Y 8.45 5.55 0.00 2.97 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 76 S 9.12 4.11 0.00 3.75 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 77 F 8.42 5.46 0.00 3.03 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 78 E 9.07 4.63 0.00 2.00 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 0.00 2.27 2.32 0.00 79 N 9.80 4.26 0.00 2.89 2.91 0.00 0.00 7.05 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 80 G 8.44 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 81 D 8.89 5.01 0.00 2.63 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 82 I 8.22 5.01 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.04 0.95 0.00 0.00 83 V 8.89 4.37 2.11 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 1.08 0.00 0.00 0.97 0.00 0.00 84 C 8.96 5.04 0.00 2.97 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 85 G 8.78 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 0.00 0.00 0.00 86 D 7.81 4.42 0.00 2.69 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 *88 N 8.57 4.69 0.00 2.74 2.91 0.00 0.00 6.84 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 89 D 7.97 4.30 0.00 2.71 2.62 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 90 L 8.73 3.91 0.00 1.88 1.92 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.19 4.20 0.00 2.98 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 92 L 8.55 3.95 0.00 1.74 1.93 0.96 1.01 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 93 R 8.14 3.76 0.00 2.05 2.09 0.00 3.08 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 1.59 1.65 0.00 94 T 8.02 3.68 4.33 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 0.00 0.00 1.15 0.00 0.00 95 V 7.61 3.41 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 1.09 0.00 0.00 0.85 0.00 0.00 96 C 7.68 2.68 0.00 1.84 2.80 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 97 E 8.66 3.75 0.00 1.86 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 2.35 2.41 0.00 98 C 8.31 4.15 0.00 3.10 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 99 D 8.10 3.51 0.00 2.55 2.62 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 0.00 100 R 7.91 3.81 0.00 1.79 2.06 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 101 A 8.17 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 0.00 102 A 7.99 3.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 3.91 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 0.00 104 I 7.93 3.67 2.02 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 1.44 0.90 0.92 0.00 0.00 105 C 8.15 4.21 0.00 3.04 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 0.00 106 L 8.44 4.01 0.00 1.38 1.27 0.20 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.00 3.59 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 0.00 0.00 0.00 108 Q 8.22 4.47 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.20 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 109 N 7.72 5.13 0.00 2.70 2.80 0.00 0.00 6.93 8.79 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 0.00 110 V 7.68 3.89 2.11 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 0.93 0.00 0.00 0.96 0.00 0.00 111 N 8.27 4.62 0.00 2.86 2.98 0.00 0.00 5.86 7.71 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 0.00 112 T 7.69 4.49 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 1.26 0.00 0.00 113 Y 7.66 3.90 0.00 3.03 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 0.00 114 D 9.24 4.93 0.00 2.66 2.50 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 0.00 115 K 8.70 4.40 0.00 1.92 1.93 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.98 1.70 7.81 116 N 9.19 4.41 0.00 2.34 2.57 0.00 0.00 6.99 7.34 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 0.00 117 Y 7.66 4.07 0.00 1.43 1.66 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 0.00 118 E 7.82 4.39 0.00 2.15 1.66 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 2.45 2.49 0.00 119 Y 8.71 3.71 0.00 3.17 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 0.00 120 Y 8.09 4.35 0.00 3.03 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 0.00 121 S 8.42 4.41 0.00 4.21 4.38 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 0.00 122 I 7.40 3.51 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 1.32 1.19 0.98 0.00 0.00 *124 S 7.75 5.06 0.00 3.79 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 0.00 125 H 7.10 4.38 0.00 2.22 2.78 0.00 5.96 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.84 4.29 0.00 3.07 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 0.00 127 T 7.18 4.13 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 1.20 0.00 0.00 128 E 7.77 4.34 0.00 2.00 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 2.43 2.40 0.00 129 E 8.74 4.06 0.00 1.98 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 2.30 2.38 0.00 130 S 8.47 5.16 0.00 3.85 3.88 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 0.00 131 E 8.12 3.88 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 2.11 1.47 0.00 132 Q 8.08 4.74 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 133 C 9.13 4.50 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.