NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4676 8.3349 116.7942 58.6048 63.9168 174.1713 2 N 4.8464 9.3154 124.4946 52.7941 39.5706 172.5432 3 I 4.6103 7.5640 116.4544 60.0554 40.7001 174.1279 4 I 4.6345 7.3474 110.9410 60.8466 40.3341 174.7783 5 K 4.1289 10.5583 119.1134 56.4283 28.8274 177.5840 6 Q 4.5426 7.5761 111.3750 57.9004 29.9312 174.7529 7 L 4.3911 7.7491 116.1698 56.4475 44.1564 174.1887 8 E 4.4789 8.2239 118.5076 57.4440 31.7487 177.6515 9 Q 4.0629 8.2519 116.5497 59.1130 28.3320 178.5889 10 E 4.1584 8.2502 115.1455 58.3713 29.4743 177.2240 11 Q 4.5793 7.7829 115.1336 55.4512 30.8648 175.2882 12 M 4.5075 7.7251 117.7596 54.1322 33.0446 175.9026 13 K 4.4733 8.1064 121.1987 55.2640 32.9688 176.2061 14 Q 4.5098 8.6439 122.0724 55.9030 29.9925 176.1399 15 D 4.7527 7.8402 116.4867 53.9818 41.2625 176.6893 16 V 3.9373 7.3472 113.4671 59.9471 32.4902 173.6598 17 P 4.6827 0.0000 0.0000 62.1575 32.5349 175.3884 18 S 4.2827 8.1613 113.7724 56.6158 66.3476 173.4903 19 F 5.0086 7.4891 116.7151 55.3133 40.8844 173.5304 20 R 4.5243 8.4464 121.5824 54.3289 31.1914 174.3997 21 P 4.5298 0.0000 0.0000 63.2483 32.6392 175.5975 22 G 4.5685 7.8210 107.7762 46.7854 0.0000 171.9528 23 D 4.8444 7.6163 118.1444 52.7735 46.3887 176.4610 24 T 4.6932 8.0105 116.9761 62.4153 69.7271 175.0950 25 V 4.5280 8.3172 118.6265 59.5736 36.6594 174.7228 26 E 4.3545 8.3958 121.8155 54.6605 31.6373 174.1219 27 V 3.8297 8.1949 127.0318 61.9963 33.1151 174.6082 28 K 4.7343 8.5445 126.2532 54.7467 34.9261 175.5211 29 V 4.5966 7.7930 117.1446 57.6797 35.6326 175.3757 30 W 4.9144 8.4327 124.1354 57.1945 29.5329 175.8913 31 V 4.5565 8.8069 125.5053 59.9615 33.3277 175.0422 32 V 4.9491 8.4609 123.1992 61.4210 33.7109 174.9181 33 E 4.3886 9.2567 125.8283 55.9333 30.2582 177.2877 34 G 4.0645 8.6482 106.8751 45.5481 0.0000 174.2004 35 S 4.4802 7.7736 111.9917 59.4361 66.5964 173.7047 36 K 4.5704 7.5196 116.5418 55.7650 35.0664 173.9743 37 K 5.4761 8.1016 117.7938 55.1594 36.1570 175.3964 38 R 4.8160 8.9259 117.4223 55.8921 33.5347 173.3064 39 L 4.8365 8.4004 118.2646 53.0849 43.8717 176.0415 40 Q 4.6016 8.5980 125.9337 54.0841 30.8449 174.8764 41 A 4.3004 8.4739 127.9492 51.1453 19.2506 177.2872 42 F 4.6020 8.4348 121.3634 56.4738 38.6590 174.3783 43 E 4.1516 8.0991 120.6794 56.9876 30.1168 176.8055 44 G 4.1310 8.4670 115.7253 44.8081 0.0000 173.5700 45 V 4.5468 8.1592 120.9931 61.5931 33.7958 173.9008 46 V 4.6287 8.7010 119.7797 61.0180 32.4809 176.5223 47 I 4.6840 8.1494 114.6610 60.8485 39.3648 174.1462 48 A 4.5785 7.4241 123.4724 50.1816 19.8265 176.8725 49 I 4.4873 8.0687 121.6814 59.1968 40.0945 175.4341 50 R 4.2754 8.3214 122.8570 55.7513 30.4358 175.7289 51 N 4.7210 8.5892 118.3752 53.7299 39.7013 174.7677 52 R 4.4974 8.4136 120.3992 55.8795 30.9241 177.2384 53 G 3.9543 9.6385 107.6217 45.1588 0.0000 173.6437 54 L 4.1316 6.9657 119.7207 55.2798 45.8899 173.5421 55 H 4.8884 7.4877 115.2424 54.9212 32.5041 172.2106 56 S 4.6800 8.3989 118.0905 57.0340 67.6480 172.6700 57 A 4.6165 7.1669 119.9573 49.6593 22.1412 176.4147 58 F 5.4447 8.0243 116.9858 57.2247 40.6822 173.8117 59 T 4.4040 7.9838 117.6412 63.5764 70.3334 175.3341 60 V 5.1989 8.1564 118.9458 58.8625 35.3517 174.6911 61 R 4.8311 8.3637 122.4896 54.6424 31.7198 177.1338 62 K 4.1735 8.8732 126.1390 57.8966 32.7040 177.0856 63 I 3.3619 7.5663 117.7865 62.5803 34.1918 173.3568 64 S 4.2817 8.2786 116.2881 60.7950 62.9128 174.7615 65 N 4.9474 8.0583 114.6489 52.6638 37.7147 175.0702 66 G 3.9781 9.0308 108.6578 45.4043 0.0000 173.5595 67 E 4.5779 8.0005 120.5269 54.1745 32.3797 175.5759 68 G 4.2676 8.8748 114.3559 45.9153 0.0000 172.6593 69 V 4.7836 8.3609 118.9528 59.7221 34.6232 174.3374 70 E 5.3523 8.7675 121.4124 53.6686 33.2836 175.4201 71 R 4.2698 7.9106 123.0845 54.6499 33.0837 174.4906 72 V 3.9298 7.9805 126.2994 61.8632 32.7959 174.9860 73 F 5.0042 8.3153 116.9130 57.0403 43.6835 174.5540 74 Q 4.3929 9.0859 113.3847 56.1619 33.9711 174.8257 75 T 3.5184 8.3177 107.2341 62.6109 66.9202 172.1217 76 H 4.9884 8.0029 113.2339 56.6761 33.7157 174.7652 77 S 4.5113 8.4649 116.9031 57.4150 63.1771 173.3230 78 P 4.5659 0.0000 0.0000 64.3154 31.6474 177.1810 79 V 4.5737 7.8316 111.8814 61.2605 31.4396 177.7798 80 V 3.9068 7.8739 122.0216 61.7863 33.6349 179.5584 81 D 4.5611 9.2568 120.1819 54.6541 39.5726 175.1411 82 S 4.6407 5.8100 108.0491 56.5066 67.0278 171.9297 83 I 4.7996 8.1312 125.5927 59.0946 40.3132 174.5357 84 S 4.6060 8.2188 124.9010 57.4648 63.7048 175.0541 85 V 3.6423 8.6258 122.2128 63.4255 32.8160 178.8154 86 K 3.6581 7.5041 117.7507 56.3134 32.2733 176.8065 87 R 4.1470 8.2932 128.6729 57.5925 31.1195 174.0586 88 R 4.6870 7.7966 123.7134 54.3691 32.9902 174.2311 89 G 4.0903 8.2344 112.9774 47.6841 0.0000 171.2206 90 A 4.9743 7.8132 119.9962 52.0493 23.2165 177.1022 91 V 3.9634 8.4502 119.3820 61.7242 32.9200 176.4228 92 R 4.0321 8.6037 124.7226 59.2824 30.1064 177.4370 93 K 4.2018 7.8840 116.1240 55.8301 32.6063 177.2390 94 A 4.1262 8.7448 126.6745 53.9396 18.7227 177.1764 95 K 4.6300 7.9781 116.2726 54.4945 34.0649 175.0041 96 L 4.8540 7.6074 125.8090 53.5172 43.6526 175.7673 97 Y 4.7559 8.4213 121.4883 58.3005 42.4559 173.5384 98 Y 4.6756 7.8629 114.0895 58.4178 40.5826 174.2226 99 L 4.2376 7.8624 119.7390 54.5540 41.8902 176.7677 100 R 4.5059 7.7712 113.5051 55.9980 30.3576 175.9494 101 E 4.5676 7.8072 116.4757 56.2431 30.5172 176.8614 102 R 3.8343 8.0549 120.0902 59.4070 30.5190 177.6773 103 T 3.0137 8.6042 105.3483 63.7150 69.8477 170.4989 104 G 3.7419 9.2995 102.6742 47.1462 0.0000 173.1333 105 K 3.8154 8.0839 109.7972 57.4324 30.4205 175.1841 106 A 4.6919 7.6070 118.5777 50.3156 21.0777 177.1652 107 A 4.4238 8.1365 121.8458 52.8587 21.5437 176.2214 108 R 4.1776 8.0177 117.9872 56.6204 30.6693 176.0358 109 I 5.0414 7.9792 115.4547 59.4856 40.8272 174.1193 110 K 4.6868 8.4671 120.5903 56.2680 36.2265 174.1442 111 E 4.3831 8.5713 118.9789 55.3773 33.1019 174.0770 112 R 4.1954 8.4205 118.5361 52.7669 33.3493 171.8227 113 L 3.5433 8.3933 135.0000 54.9567 39.2042 174.3574 114 N 4.2685 8.3557 120.4722 54.0999 38.7214 174.1483 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 S 8.33 4.47 0.00 3.87 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 2 N 9.32 4.85 0.00 2.74 2.77 0.00 0.00 6.46 6.57 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 3 I 7.56 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.91 0.00 0.00 4 I 7.35 4.63 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.91 0.00 0.00 5 K 10.56 4.13 0.00 1.89 2.17 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.44 7.81 6 Q 7.58 4.54 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.21 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 7 L 7.75 4.39 0.00 1.56 1.72 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.22 4.48 0.00 2.03 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 2.22 2.20 0.00 9 Q 8.25 4.06 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 10 E 8.25 4.16 0.00 2.10 2.15 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 2.32 2.35 0.00 11 Q 7.78 4.58 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 12 M 7.73 4.51 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 13 K 8.11 4.47 0.00 1.91 1.75 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.41 7.81 14 Q 8.64 4.51 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.09 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 15 D 7.84 4.75 0.00 2.65 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 16 V 7.35 3.94 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 0.68 0.00 0.00 0.92 0.00 0.00 17 P 0.00 4.68 0.00 2.24 2.06 0.00 3.67 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 2.01 2.06 0.00 18 S 8.16 4.28 0.00 3.74 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 19 F 7.49 5.01 0.00 3.09 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 20 R 8.45 4.52 0.00 1.83 1.93 0.00 3.34 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 21 P 0.00 4.53 0.00 2.37 2.40 0.00 3.85 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 22 G 7.82 4.57 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 23 D 7.62 4.84 0.00 2.28 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 0.00 0.00 0.00 24 T 8.01 4.69 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 1.22 0.00 0.00 25 V 8.32 4.53 1.91 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 0.61 0.00 0.00 0.84 0.00 0.00 26 E 8.40 4.35 0.00 1.94 1.71 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 2.31 2.34 0.00 27 V 8.19 3.83 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.66 0.00 0.00 28 K 8.54 4.73 0.00 1.62 1.40 0.00 1.44 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.17 1.28 7.81 29 V 7.79 4.60 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 0.74 0.00 0.00 1.11 0.00 0.00 30 W 8.43 4.91 0.00 3.34 3.14 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 31 V 8.81 4.56 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 0.85 0.00 0.00 1.03 0.00 0.00 32 V 8.46 4.95 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 0.88 0.00 0.00 1.00 0.00 0.00 33 E 9.26 4.39 0.00 2.17 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 0.00 2.29 2.30 0.00 34 G 8.65 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.77 4.48 0.00 3.81 3.84 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 0.00 0.00 0.00 36 K 7.52 4.57 0.00 1.90 1.87 0.00 1.47 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 37 K 8.10 5.48 0.00 1.44 1.86 0.00 1.50 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.27 7.81 38 R 8.93 4.82 0.00 1.94 2.12 0.00 2.75 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 39 L 8.40 4.84 0.00 1.32 1.34 0.51 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.60 4.60 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 41 A 8.47 4.30 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 F 8.43 4.60 0.00 3.11 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 E 8.10 4.15 0.00 1.99 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 2.28 2.40 0.00 44 G 8.47 4.13 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 0.00 45 V 8.16 4.55 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 0.85 0.00 0.00 0.94 0.00 0.00 46 V 8.70 4.63 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 1.01 0.00 0.00 0.59 0.00 0.00 47 I 8.15 4.68 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 1.01 0.00 0.00 48 A 7.42 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.07 4.49 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.79 0.00 0.00 50 R 8.32 4.28 0.00 1.85 1.92 0.00 3.08 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 51 N 8.59 4.72 0.00 2.74 2.76 0.00 0.00 6.80 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 52 R 8.41 4.50 0.00 1.93 1.91 0.00 3.19 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 53 G 9.64 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 0.00 0.00 0.00 54 L 6.97 4.13 0.00 1.31 0.92 0.78 0.86 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 55 H 7.49 4.89 0.00 3.12 3.04 0.00 5.61 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 56 S 8.40 4.68 0.00 3.44 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 57 A 7.17 4.62 1.07 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 58 F 8.02 5.44 0.00 3.28 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 59 T 7.98 4.40 4.28 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 1.17 0.00 0.00 60 V 8.16 5.20 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 1.33 0.00 0.00 0.81 0.00 0.00 61 R 8.36 4.83 0.00 1.79 1.87 0.00 3.12 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 62 K 8.87 4.17 0.00 2.04 1.95 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.38 1.47 7.81 63 I 7.57 3.36 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.96 0.00 0.00 64 S 8.28 4.28 0.00 3.76 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 65 N 8.06 4.95 0.00 2.79 2.78 0.00 0.00 6.31 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 66 G 9.03 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 67 E 8.00 4.58 0.00 2.01 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 2.26 2.28 0.00 68 G 8.87 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 0.00 0.00 0.00 0.00 69 V 8.36 4.78 2.21 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 0.91 0.00 0.00 1.06 0.00 0.00 70 E 8.77 5.35 0.00 1.78 1.79 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 0.00 2.18 2.37 0.00 71 R 7.91 4.27 0.00 1.36 0.72 0.00 3.27 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 72 V 7.98 3.93 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 0.61 0.00 0.00 0.85 0.00 0.00 73 F 8.32 5.00 0.00 3.37 3.14 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 74 Q 9.09 4.39 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 75 T 8.32 3.52 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 1.23 0.00 0.00 76 H 8.00 4.99 0.00 3.16 3.54 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.46 4.51 0.00 4.15 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 78 P 0.00 4.57 0.00 2.09 2.15 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 79 V 7.83 4.57 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 0.95 0.00 0.00 1.05 0.00 0.00 80 V 7.87 3.91 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 0.87 0.00 0.00 0.99 0.00 0.00 81 D 9.26 4.56 0.00 2.00 2.25 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 82 S 5.81 4.64 0.00 3.80 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 4.80 1.65 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 1.26 0.86 0.81 0.00 0.00 84 S 8.22 4.61 0.00 3.82 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 85 V 8.63 3.64 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 0.75 0.00 0.00 0.95 0.00 0.00 86 K 7.50 3.66 0.00 1.99 1.18 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.34 7.81 87 R 8.29 4.15 0.00 1.84 1.76 0.00 3.28 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 88 R 7.80 4.69 0.00 1.79 1.73 0.00 3.14 0.00 0.00 3.92 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 89 G 8.23 4.09 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 0.00 0.00 0.00 90 A 7.81 4.97 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 91 V 8.45 3.96 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 0.78 0.00 0.00 0.91 0.00 0.00 92 R 8.60 4.03 0.00 1.82 1.96 0.00 3.47 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 93 K 7.88 4.20 0.00 1.85 1.82 0.00 1.94 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 94 A 8.74 4.13 1.32 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 0.00 0.00 95 K 7.98 4.63 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.54 7.81 96 L 7.61 4.85 0.00 1.70 1.60 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.42 4.76 0.00 2.93 3.10 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 98 Y 7.86 4.68 0.00 3.09 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 L 7.86 4.24 0.00 1.49 1.50 0.90 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.77 4.51 0.00 1.87 1.99 0.00 2.95 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 101 E 7.81 4.57 0.00 1.95 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 0.00 2.20 2.19 0.00 102 R 8.05 3.83 0.00 1.65 1.90 0.00 3.38 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 103 T 8.60 3.01 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 0.00 104 G 9.30 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 0.00 0.00 0.00 105 K 8.08 3.82 0.00 1.89 2.03 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.40 7.81 106 A 7.61 4.69 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 0.00 107 A 8.14 4.42 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 0.00 108 R 8.02 4.18 0.00 1.78 1.88 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 109 I 7.98 5.04 1.94 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 1.54 0.60 1.00 0.00 0.00 110 K 8.47 4.69 0.00 1.85 1.90 0.00 1.25 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.42 7.81 111 E 8.57 4.38 0.00 1.82 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 2.21 2.38 0.00 112 R 8.42 4.20 0.00 1.71 1.70 0.00 3.36 0.00 0.00 3.23 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 113 L 8.39 3.54 0.00 1.85 1.76 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.36 4.27 0.00 2.61 2.61 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00