NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7657 8.2085 109.7390 45.5122 0.0000 175.4550 *2 A 4.2567 8.4839 121.3328 52.3536 20.8793 178.6367 3 D 4.4521 8.0702 115.2496 57.5106 41.0315 178.6069 4 L 4.0682 7.8102 120.9891 58.1657 41.9012 179.2361 5 T 3.7868 7.7903 115.4117 66.9201 68.5470 176.1084 6 H 4.4420 8.5310 118.3925 59.1702 28.7844 177.5391 7 E 4.0861 8.4146 120.8420 58.8519 29.4000 178.6085 8 F 4.0773 8.2147 120.5931 61.2569 39.2992 177.2652 9 W 4.1995 7.8583 116.9224 59.4807 28.8668 177.7770 10 D 4.7319 8.1991 117.4931 57.6272 40.7606 178.2180 11 R 4.1555 8.0106 117.8214 58.1811 30.3170 178.4913 12 L 3.7449 7.7541 120.3652 57.7662 41.5956 178.7825 13 E 3.9644 8.0968 117.5251 59.6301 29.4456 177.7004 14 D 4.4605 7.5802 114.8783 54.9946 41.1192 176.5873 15 V 4.0374 7.2951 121.9447 62.0318 30.9659 176.5989 16 R 4.1582 8.6139 127.0967 58.4936 29.7257 173.1319 17 S 4.9942 7.6690 111.1951 57.2137 67.8410 174.4080 18 G 3.5323 7.8660 114.0589 45.0728 0.0000 173.8164 *20 L 4.3148 8.4797 126.2973 54.9708 43.5008 174.9563 21 G 4.2946 8.1292 108.2264 45.7626 0.0000 172.2807 22 I 4.6723 7.8107 122.3047 59.5404 39.0023 175.8096 23 K 3.9371 8.7140 127.2229 57.8181 32.2793 177.4302 24 G 3.8551 9.0747 110.8696 45.9496 0.0000 173.5787 25 Q 4.2048 7.4539 118.1697 54.1834 30.6437 176.3003 26 G 3.8117 8.4121 114.2741 45.2527 0.0000 170.8851 27 R 4.5802 8.1559 118.2149 53.9789 32.7760 175.4217 28 L 4.5169 8.1659 119.3249 54.8207 42.1483 176.8766 29 I 4.7387 8.1393 116.2726 58.0892 40.3709 173.5830 30 P 4.9199 0.0000 0.0000 62.4271 32.4908 176.3665 *32 S 4.4866 8.6889 115.4145 57.6626 62.8794 171.8016 33 P 3.7921 0.0000 0.0000 62.3566 32.2618 175.7263 34 Q 4.5786 8.5388 123.2818 54.2028 31.1312 174.8009 35 T 4.8529 8.2346 112.9970 60.1929 73.1212 172.8565 36 D 4.9225 8.6020 120.2889 52.6827 43.6705 175.3583 37 D 4.7140 9.3452 126.5466 55.1341 39.8263 177.3146 38 D 4.4423 8.3090 119.8089 56.6046 41.2407 176.5128 39 A 4.6467 7.5240 120.6423 49.5766 18.4581 173.4599 40 P 3.8080 0.0000 0.0000 61.3510 32.8675 176.0514 41 G 3.2915 5.3800 110.3609 45.0971 0.0000 174.0565 42 A 4.8417 7.1695 119.8716 49.8867 22.6629 175.4596 43 I 4.2716 8.7813 121.1985 59.3022 39.7275 174.8674 44 W 5.0479 8.1351 126.9881 55.0388 31.6850 175.3477 45 F 5.1151 9.2413 121.3975 55.8658 42.9489 173.6541 46 I 4.8758 8.5551 123.6087 60.1954 38.6840 174.6927 47 T 4.8634 8.8971 120.8455 60.3484 71.8021 172.0575 48 A 5.1854 8.5583 124.3551 51.0405 19.7161 179.0842 49 K 3.9696 9.1256 121.1245 59.4132 32.2802 179.0509 50 G 3.7799 8.0801 105.9562 47.1050 0.0000 174.3109 51 T 4.2079 7.5569 111.7340 61.3647 70.8402 175.2169 52 D 4.3729 8.4931 121.4774 57.4810 40.5301 179.0180 53 L 3.9439 7.8741 118.8858 57.5407 41.4256 179.2919 54 A 4.0156 7.4221 118.4083 55.3094 18.5083 179.6276 55 K 4.1798 8.2043 117.1470 59.4964 31.8400 179.9129 56 G 3.6619 8.4029 105.7339 46.8762 0.0000 175.2095 57 V 4.5564 7.5135 113.2205 60.0956 31.7551 177.6674 58 A 4.0126 7.6005 123.9334 55.2551 18.4170 179.8425 59 A 4.0630 8.2268 117.4796 53.2666 18.5029 177.3395 60 G 3.9503 7.0093 103.4328 44.7595 0.0000 169.5470 61 P 4.6700 0.0000 0.0000 63.1083 31.8395 176.4987 62 Q 4.6887 8.8572 121.6410 53.1351 33.1922 173.1220 63 P 4.8045 0.0000 0.0000 63.1258 32.6196 175.2408 64 A 5.2688 9.1846 124.6052 50.4585 23.6344 174.2409 65 Q 5.2005 9.3896 119.9129 54.3835 32.7867 174.2861 66 F 4.7226 9.0136 127.0166 56.6187 42.4329 173.0903 67 V 4.6482 7.9110 126.2267 61.0573 33.2300 174.8649 68 V 4.1762 8.6716 127.2246 61.2420 34.8372 174.7776 69 S 4.5943 8.3017 121.8722 57.5999 63.7515 172.4772 70 D 4.5338 8.2236 127.2817 52.3591 43.4899 175.9408 71 D 4.5187 8.3285 126.6179 56.6944 41.4037 179.0803 72 G 3.7375 8.2082 107.0224 48.3100 0.0000 174.0538 73 E 4.1776 8.3974 117.8775 55.6277 30.3531 176.3241 74 G 3.7169 7.9017 107.1719 46.6417 0.0000 172.6071 75 L 4.9311 7.2119 121.2620 52.9927 44.4296 174.3987 76 Y 5.2882 8.7292 123.4086 56.2497 41.8852 174.6264 77 A 4.8390 9.0483 123.8153 51.0375 23.6518 174.4343 78 D 5.0591 8.8346 122.4733 52.6658 43.3277 174.7288 79 L 5.2052 8.6565 126.6078 53.1434 44.6938 175.5159 80 D 5.3356 9.1204 123.8007 53.4979 43.1519 176.2456 81 G 3.4909 8.3936 107.7232 46.4285 0.0000 171.6818 82 T 5.0084 7.4259 117.6235 61.7002 72.4681 172.9857 83 L 5.2548 8.7111 128.9224 53.7004 44.4639 174.8589 84 E 4.9792 8.4644 121.4003 55.1091 33.3511 174.2923 85 R 4.4071 8.5084 120.9650 56.5201 31.0930 175.4613 86 S 4.8193 8.8200 119.2382 56.3842 65.3666 173.9537 87 T 4.4787 8.5880 117.2372 61.5634 69.3368 174.7537 88 D 4.6524 7.8703 124.7013 54.8930 41.4355 176.6584 89 R 3.9666 8.3897 130.1486 61.0357 29.5966 175.7788 90 E 3.9890 8.1423 117.0267 59.6706 29.6304 179.0557 91 A 3.4085 7.7227 120.2874 54.6010 18.2421 179.1052 92 L 3.8924 7.6542 118.9103 58.5739 41.9499 178.8905 93 D 4.2085 7.6294 116.3192 57.0132 41.1638 177.4893 94 E 3.8296 7.5478 118.8008 58.7654 29.6661 177.9265 95 F 4.8232 7.2078 114.1837 56.2184 39.6297 175.7123 96 W 4.3662 7.3255 129.5382 57.0801 31.2109 175.7155 97 S 4.8144 7.2379 118.7331 55.6152 67.0031 174.8548 98 F 4.2504 8.9031 116.8007 59.9830 37.6867 177.3352 99 V 3.3681 6.4268 118.0593 65.6901 31.3935 177.6452 100 A 3.8387 7.0096 119.1449 55.1703 17.6349 179.3489 101 D 4.6904 7.5426 116.6396 57.3346 40.9087 178.6235 102 A 4.1195 7.5876 120.2644 55.0550 18.5220 179.4752 103 W 4.1129 8.1556 115.6609 57.9882 29.3085 176.1530 104 F 4.9055 8.2615 119.5182 55.1948 38.8449 175.5658 105 D 4.5673 8.9339 126.3531 55.7990 39.2504 177.5518 106 G 4.0172 8.6629 108.2631 45.2689 0.0000 175.6273 107 G 3.9644 7.7313 109.4153 44.7476 0.0000 174.1976 108 Q 2.5200 7.7321 115.6350 57.9784 29.2162 176.5947 109 H 4.5502 7.4492 117.5565 54.1926 27.5519 173.3216 110 D 5.0591 7.2314 120.5549 51.2017 44.1575 174.8870 111 P 4.3218 0.0000 0.0000 65.9594 31.4776 177.2535 112 D 4.6036 8.7483 118.0377 55.8520 41.2315 176.3945 113 V 3.3246 7.1835 119.6794 62.8958 32.3513 175.3221 114 C 4.5811 8.6817 127.5259 57.9689 34.9808 172.2309 115 L 4.8917 8.7049 129.3954 54.4436 43.1665 174.9891 116 L 5.3309 9.4618 126.7451 52.9029 44.8477 175.3308 117 K 4.2817 8.9702 124.2106 54.4453 34.9607 174.2990 118 F 5.0135 9.0847 131.0357 56.9327 41.4644 174.3922 119 T 4.5098 7.7853 124.1775 61.1447 69.7421 172.6846 120 P 4.3158 0.0000 0.0000 62.6859 31.7431 176.1212 121 A 4.6217 9.1760 126.4051 53.6176 20.8280 176.8481 122 S 5.1022 7.1470 107.5360 57.4625 66.5845 173.3262 123 G 4.3042 8.1954 107.9099 46.1556 0.0000 171.9043 124 E 4.9236 8.0228 122.5809 54.9465 30.9692 174.8130 125 I 5.0478 8.7156 128.5305 59.5964 40.5703 174.9096 126 S 5.3267 9.5706 122.1340 56.7820 66.3655 173.0183 127 I 5.1747 8.9385 125.4161 59.8081 39.6276 174.8407 128 T 5.1675 8.8860 116.7660 59.5766 71.8475 174.2616 129 E 4.1376 9.0326 120.5051 57.4852 30.1631 177.2275 130 G 4.0274 8.1498 102.9806 44.0222 0.0000 174.5427 131 G 4.0522 8.4359 109.7486 45.3456 0.0000 173.4238 132 G 4.1782 7.9090 109.8023 44.6715 0.0000 176.6481 133 A 4.0535 8.9022 122.4884 55.4081 18.2337 179.5072 134 R 4.0020 8.0329 116.6267 59.3082 30.2390 178.3422 135 F 4.2177 8.2972 120.1798 61.3250 39.5399 176.9511 136 L 3.8982 7.9904 118.2038 57.8623 41.3940 178.9307 137 Y 3.9718 7.9706 119.0381 60.6808 38.7877 177.6757 138 E 3.8366 8.4287 120.3707 59.1601 29.7308 178.9139 139 I 3.4925 7.3963 119.6628 64.2392 37.2012 178.2529 140 A 3.8913 7.6736 121.6085 54.9923 18.2544 179.6392 141 K 3.6689 8.1320 118.3617 59.1763 31.7421 178.9158 142 A 4.1072 7.7346 122.5321 54.9679 18.0842 179.3535 143 H 4.0145 7.7405 112.9414 58.9165 28.8624 177.6186 144 L 4.1383 7.7169 120.6189 56.9555 42.0213 177.8078 145 T 4.3874 7.4287 106.2919 60.0919 70.3227 173.2746 146 D 4.3879 7.8421 120.0435 55.6526 38.5951 173.4281 147 E 4.7348 7.4996 116.3556 54.4098 33.8583 175.9901 148 T 4.0431 8.2714 112.1877 60.5689 69.7409 172.7310 149 P 4.2629 0.0000 0.0000 63.4690 31.9921 176.4041 150 D 4.6908 8.5931 121.5833 52.1801 41.4199 176.0670 *152 G 3.9699 8.3016 112.3223 45.8635 0.0000 172.0012 153 E 4.8298 8.2092 117.9692 55.0233 32.6543 171.9397 154 Q 5.0103 8.2962 122.1193 54.4021 32.2495 173.8269 155 A 4.4923 8.7322 125.1439 51.6044 23.5211 175.1421 156 T 4.6724 8.4767 116.6813 62.4476 69.6000 174.6130 157 V 4.2784 8.6452 127.2325 61.2630 34.4838 174.4112 158 T 4.7569 8.0439 122.4605 61.6080 70.4389 174.2743 159 F 4.3870 8.9923 124.7975 57.7283 38.6290 175.6145 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 0 G 8.21 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 0.00 0.00 0.00 *2 A 8.48 4.26 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 3 D 8.07 4.45 0.00 2.91 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 4 L 7.81 4.07 0.00 1.79 1.63 0.92 0.81 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 5 T 7.79 3.79 4.35 0.00 0.00 0.00 0.00 0.00 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 6 H 8.53 4.44 0.00 3.48 3.48 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.41 4.09 0.00 2.31 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 0.00 2.36 2.41 0.00 8 F 8.21 4.08 0.00 3.15 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 9 W 7.86 4.20 0.00 3.53 3.29 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 10 D 8.20 4.73 0.00 2.96 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 11 R 8.01 4.16 0.00 1.82 1.87 0.00 3.18 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 12 L 7.75 3.74 0.00 1.13 1.39 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.10 3.96 0.00 2.02 2.04 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 2.56 2.57 0.00 14 D 7.58 4.46 0.00 2.74 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 15 V 7.30 4.04 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 0.82 0.00 0.00 0.83 0.00 0.00 16 R 8.61 4.16 0.00 1.78 1.92 0.00 3.24 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 17 S 7.67 4.99 0.00 3.78 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 18 G 7.87 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.31 0.00 1.60 1.30 0.47 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.13 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 0.00 0.00 0.00 0.00 22 I 7.81 4.67 1.87 0.00 0.00 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 1.35 0.89 1.00 0.00 0.00 23 K 8.71 3.94 0.00 1.76 1.77 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.43 7.81 24 G 9.07 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 0.00 0.00 0.00 25 Q 7.45 4.20 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 26 G 8.41 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.16 4.58 0.00 1.77 1.84 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 28 L 8.17 4.52 0.00 1.48 1.53 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.14 4.74 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.87 0.00 0.00 30 P 0.00 4.92 0.00 2.08 2.07 0.00 3.36 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 *32 S 8.69 4.49 0.00 3.89 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 33 P 0.00 3.79 0.00 1.93 2.01 0.00 3.99 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 34 Q 8.54 4.58 0.00 1.31 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 35 T 8.23 4.85 4.41 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 1.28 0.00 0.00 36 D 8.60 4.92 0.00 2.97 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 37 D 9.35 4.71 0.00 2.92 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 38 D 8.31 4.44 0.00 2.80 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 39 A 7.52 4.65 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 40 P 0.00 3.81 0.00 1.02 1.57 0.00 3.65 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 1.74 1.83 0.00 41 G 5.38 3.29 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 0.00 42 A 7.17 4.84 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 43 I 8.78 4.27 1.74 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 0.17 0.00 0.00 44 W 8.14 5.05 0.00 2.71 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 45 F 9.24 5.12 0.00 2.86 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 46 I 8.56 4.88 1.87 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 1.40 0.65 0.96 0.00 0.00 47 T 8.90 4.86 4.25 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 1.32 0.00 0.00 48 A 8.56 5.19 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 49 K 9.13 3.97 0.00 1.82 1.93 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.52 7.81 50 G 8.08 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 51 T 7.56 4.21 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 1.26 0.00 0.00 52 D 8.49 4.37 0.00 2.77 2.75 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 0.00 0.00 0.00 0.00 53 L 7.87 3.94 0.00 1.63 1.65 0.75 0.81 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 54 A 7.42 4.02 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 55 K 8.20 4.18 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.74 7.81 56 G 8.40 3.66 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 0.00 0.00 0.00 57 V 7.51 4.56 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 1.05 0.00 0.00 1.04 0.00 0.00 58 A 7.60 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.06 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 60 G 7.01 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 61 P 0.00 4.67 0.00 1.92 1.97 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 62 Q 8.86 4.69 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 63 P 0.00 4.80 0.00 2.08 1.98 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 64 A 9.18 5.27 1.49 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 0.00 0.00 65 Q 9.39 5.20 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 66 F 9.01 4.72 0.00 1.79 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 0.00 0.00 0.00 0.00 67 V 7.91 4.65 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 0.73 0.00 0.00 0.84 0.00 0.00 68 V 8.67 4.18 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 0.88 0.00 0.00 0.58 0.00 0.00 69 S 8.30 4.59 0.00 3.94 3.73 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 70 D 8.22 4.53 0.00 2.55 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 0.00 0.00 0.00 0.00 71 D 8.33 4.52 0.00 2.72 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 72 G 8.21 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 73 E 8.40 4.18 0.00 1.85 1.92 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 2.23 2.32 0.00 74 G 7.90 3.72 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 0.00 75 L 7.21 4.93 0.00 1.60 1.29 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.73 5.29 0.00 2.92 2.79 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 0.00 0.00 0.00 77 A 9.05 4.84 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 78 D 8.83 5.06 0.00 2.82 2.55 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 79 L 8.66 5.21 0.00 1.95 1.72 1.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 D 9.12 5.34 0.00 2.61 2.61 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 81 G 8.39 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 0.00 0.00 0.00 82 T 7.43 5.01 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 1.13 0.00 0.00 83 L 8.71 5.25 0.00 1.93 1.55 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.46 4.98 0.00 2.04 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 0.00 2.27 2.20 0.00 85 R 8.51 4.41 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 86 S 8.82 4.82 0.00 4.09 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 87 T 8.59 4.48 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 1.24 0.00 0.00 88 D 7.87 4.65 0.00 2.97 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 89 R 8.39 3.97 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 90 E 8.14 3.99 0.00 1.96 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 2.33 2.25 0.00 91 A 7.72 3.41 0.38 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 92 L 7.65 3.89 0.00 1.85 1.74 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.63 4.21 0.00 2.78 2.55 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 94 E 7.55 3.83 0.00 1.69 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 1.54 1.94 0.00 95 F 7.21 4.82 0.00 3.08 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 96 W 7.33 4.37 0.00 3.70 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 97 S 7.24 4.81 0.00 3.89 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 98 F 8.90 4.25 0.00 3.23 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 99 V 6.43 3.37 1.65 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 1.00 0.00 0.00 -0.01 0.00 0.00 100 A 7.01 3.84 -0.24 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 0.00 101 D 7.54 4.69 0.00 2.95 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 0.00 102 A 7.59 4.12 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 0.00 103 W 8.16 4.11 0.00 2.95 2.54 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 0.00 104 F 8.26 4.91 0.00 3.63 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 0.00 105 D 8.93 4.57 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 0.00 106 G 8.66 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 0.00 107 G 7.73 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 0.00 108 Q 7.73 2.52 0.00 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.34 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 109 H 7.45 4.55 0.00 3.07 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.23 5.06 0.00 2.90 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 0.00 111 P 0.00 4.32 0.00 2.26 2.21 0.00 3.89 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 2.07 2.04 0.00 112 D 8.75 4.60 0.00 3.24 3.06 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 0.00 113 V 7.18 3.32 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 0.57 0.00 0.00 0.42 0.00 0.00 114 C 8.68 4.58 0.00 3.03 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 0.00 115 L 8.70 4.89 0.00 1.92 1.83 1.24 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.46 5.33 0.00 1.76 1.63 0.89 0.77 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 0.00 117 K 8.97 4.28 0.00 1.33 1.38 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.51 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.73 0.21 7.81 118 F 9.08 5.01 0.00 3.19 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 0.00 119 T 7.79 4.51 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 1.11 0.00 0.00 120 P 0.00 4.32 0.00 0.49 1.39 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.18 0.00 121 A 9.18 4.62 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 0.00 122 S 7.15 5.10 0.00 4.00 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 0.00 123 G 8.20 4.30 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 0.00 124 E 8.02 4.92 0.00 2.02 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 2.24 2.27 0.00 125 I 8.72 5.05 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 1.06 0.00 0.00 126 S 9.57 5.33 0.00 3.87 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 0.00 127 I 8.94 5.17 1.93 0.00 0.00 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 1.36 1.44 0.96 0.00 0.00 128 T 8.89 5.17 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 1.34 0.00 0.00 129 E 9.03 4.14 0.00 2.12 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 2.39 2.39 0.00 130 G 8.15 4.03 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 0.00 0.00 0.00 131 G 8.44 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 0.00 132 G 7.91 4.18 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 0.00 0.00 0.00 133 A 8.90 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.00 0.00 1.99 2.03 0.00 3.37 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 135 F 8.30 4.22 0.00 3.35 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 0.00 136 L 7.99 3.90 0.00 1.82 1.74 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.97 3.97 0.00 3.13 3.13 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 0.00 138 E 8.43 3.84 0.00 2.33 1.83 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 2.33 2.34 0.00 139 I 7.40 3.49 1.47 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.79 0.00 0.00 140 A 7.67 3.89 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 0.00 141 K 8.13 3.67 0.00 0.95 1.54 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.35 7.81 142 A 7.73 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.74 4.01 0.00 3.22 3.33 0.00 5.66 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 0.00 144 L 7.72 4.14 0.00 1.72 1.76 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.43 4.39 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 0.00 146 D 7.84 4.39 0.00 2.80 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 0.00 147 E 7.50 4.73 0.00 1.93 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 0.00 2.27 2.44 0.00 148 T 8.27 4.04 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 1.19 0.00 0.00 149 P 0.00 4.26 0.00 2.05 1.95 0.00 3.64 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 1.97 2.00 0.00 150 D 8.59 4.69 0.00 2.72 2.44 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 *152 G 8.30 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 0.00 153 E 8.21 4.83 0.00 1.67 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 2.15 2.10 0.00 154 Q 8.30 5.01 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 155 A 8.73 4.49 1.18 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 0.00 0.00 156 T 8.48 4.67 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 1.19 0.00 0.00 157 V 8.65 4.28 1.65 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 0.35 0.00 0.00 0.74 0.00 0.00 158 T 8.04 4.76 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 1.23 0.00 0.00 159 F 8.99 4.39 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.