NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4967 8.1933 115.4112 58.5888 65.8095 175.6676 6 Y 4.1571 7.7226 118.2049 59.6733 38.0189 176.8226 7 A 3.9945 9.0144 122.5563 55.4805 18.8176 179.2549 8 Q 3.9201 8.0273 115.7198 59.2132 28.6909 178.5516 9 E 3.9725 7.7961 118.8596 59.1688 29.8768 178.5454 10 L 4.0930 8.3110 119.5969 57.5762 41.5378 179.4505 11 K 3.9579 8.4591 118.9302 59.5751 31.7722 179.4050 12 L 4.0217 7.7409 117.8298 57.4106 41.5846 178.8581 13 A 4.1717 7.5335 118.8804 53.0372 18.7921 177.7333 14 L 4.4222 6.9515 117.1612 55.0926 42.7754 176.4021 15 H 5.0149 8.7892 117.6517 54.2456 31.9493 172.8709 16 Q 5.0029 8.4961 121.4585 54.7304 30.9338 174.9649 17 Y 4.7578 9.0485 120.2055 55.3830 41.3739 173.1396 18 P 4.6336 0.0000 0.0000 63.3896 32.4221 175.8344 19 N 4.4572 9.0024 118.2244 54.3266 35.8083 175.8398 20 F 4.4480 7.6290 120.1525 59.6980 40.1909 174.3403 21 P 3.4532 0.0000 0.0000 64.4316 31.6909 176.3540 22 S 4.3626 7.7947 111.5039 57.5138 65.3102 174.0672 23 E 4.0047 8.6480 115.9057 57.7526 29.6587 174.5931 24 G 4.2928 9.8012 117.7359 45.7307 0.0000 174.3752 25 I 3.9152 7.4804 120.6480 60.5304 36.2938 177.1749 26 L 4.5969 8.6500 130.9750 53.6044 42.9767 175.4928 27 F 5.0014 9.6548 129.2748 56.6472 41.8130 173.8635 28 E 4.5738 7.7520 126.5771 54.5081 31.1732 174.5291 29 D 4.8712 9.0240 129.2034 53.0613 42.4003 176.5341 30 F 4.8778 9.2077 120.7273 56.8767 39.0392 177.3796 31 L 4.1157 9.0651 123.7536 57.9836 41.1953 177.4615 32 P 4.3125 0.0000 0.0000 65.3433 30.6849 178.5465 33 I 3.5268 7.6482 119.0292 64.2805 36.7096 178.1964 34 F 3.7526 7.5318 116.8216 59.5789 38.7881 177.1059 35 R 3.9892 7.5688 116.9857 57.6521 30.2440 176.3594 36 N 4.8779 7.6935 116.2606 50.7530 40.7320 172.8577 37 P 4.4629 0.0000 0.0000 66.0010 31.2757 178.6187 38 G 3.4979 8.2904 105.6306 47.6209 0.0000 175.8316 39 L 3.9200 7.9832 121.0229 57.2274 41.7349 179.1249 40 F 4.1811 8.4193 120.9662 61.4411 39.3180 176.9243 41 Q 3.7917 8.2943 119.3759 59.1362 28.6776 178.4986 42 K 3.6463 7.6497 119.0696 58.9245 31.9706 179.0848 43 L 3.8798 7.9121 120.6765 58.2479 41.9963 179.1402 44 I 3.9929 7.8707 119.6895 64.6552 37.0136 178.1709 45 D 4.4281 8.6476 119.9437 57.2669 40.6357 178.7599 46 A 4.0640 8.4667 121.5338 55.2943 18.3437 179.7589 47 F 4.4197 8.1677 116.2406 60.5927 39.0356 177.8212 48 K 4.0163 8.5773 119.5256 59.4756 32.0395 178.5563 49 L 3.9470 8.4163 121.0291 58.3168 41.9732 178.3517 50 H 3.8967 8.3253 118.1168 59.3765 29.8018 177.3369 51 L 4.1562 8.2311 120.8187 57.7197 41.1567 179.3922 52 E 4.0629 8.1140 118.0969 59.1992 29.4530 178.7493 53 E 4.0407 7.9763 117.8348 59.0697 29.6700 178.6985 54 A 3.7931 7.9136 120.3381 53.3520 19.6887 177.6857 55 F 4.9323 7.8267 114.8963 55.6170 39.5068 174.3904 56 P 4.3712 0.0000 0.0000 65.2469 31.6376 177.5226 57 E 4.6995 8.0452 117.1235 55.6607 30.4009 175.6049 58 V 4.3186 7.5353 118.3116 60.6252 33.8316 174.8322 59 K 4.0853 8.6617 128.9368 56.1837 32.7387 175.7121 60 I 4.1952 8.0773 126.9238 60.2819 38.4884 175.1654 61 D 4.3731 9.0498 125.7748 56.5152 42.3586 176.2088 62 Y 5.1072 7.5575 113.4721 56.5842 43.0719 173.9939 63 I 4.7176 8.9956 123.4840 59.7516 39.7690 174.7732 64 V 4.8416 8.3645 127.3906 60.3366 33.5070 174.3469 65 G 4.6907 7.9194 115.1554 44.5537 0.0000 171.8428 66 L 4.8623 8.4657 123.6157 53.5371 43.3507 175.9857 67 E 3.0284 8.5668 124.5419 56.0935 29.8358 177.1987 68 S 3.6743 8.5417 120.6196 58.6269 64.9855 176.7722 69 R 4.2921 7.9911 120.7529 58.9543 29.8592 178.7897 70 G 3.7542 8.3585 105.4592 47.3248 0.0000 175.6500 71 F 4.5241 8.0832 119.1277 60.1197 38.9554 177.3327 72 L 4.0703 7.8491 118.3999 56.6107 41.5958 177.6756 73 F 5.3717 8.1910 111.3674 56.3965 40.2118 177.2844 74 G 3.5244 7.7085 108.9037 47.4761 0.0000 173.8156 75 P 3.8172 0.0000 0.0000 65.1894 31.2700 178.8639 76 T 3.8681 7.8472 114.0398 66.5046 68.3837 176.3238 77 L 4.0486 8.3487 122.1714 57.9474 42.0548 178.7452 78 A 4.0331 8.2849 120.9478 55.2685 18.4718 179.4029 79 L 3.8766 8.1722 118.6099 58.2451 41.9326 178.9891 80 A 4.0357 8.0241 119.8628 54.9006 18.4028 178.9409 81 L 4.2886 8.0149 115.6567 54.7491 42.0972 177.2283 82 G 3.7877 7.8948 106.5291 46.7256 0.0000 173.2211 83 V 4.4212 7.8928 111.7325 58.7543 35.9081 175.7462 84 G 4.0879 8.0150 108.6822 45.8920 0.0000 172.5711 85 F 5.4902 8.7420 121.8078 56.1823 42.4603 174.3372 86 V 4.2917 7.3284 124.5236 60.4535 34.7948 172.3597 87 P 5.1747 0.0000 0.0000 61.5871 33.7687 174.6743 88 V 4.5525 8.7737 121.5257 61.5331 33.4706 174.8979 89 R 5.3832 8.7704 126.0046 53.8614 33.7222 175.3892 90 K 4.0870 9.1022 120.1275 56.0794 33.1308 177.0665 91 A 4.1169 8.1143 126.9330 53.9930 18.7319 178.4291 92 G 4.0043 9.4787 109.9888 45.2938 0.0000 174.8319 93 K 4.2346 7.4170 117.1287 58.0806 32.8325 177.5021 94 L 4.3312 7.7040 118.1932 53.3821 42.4368 174.7708 95 P 4.4607 0.0000 0.0000 62.8434 32.6750 176.4688 96 G 3.7962 8.4383 107.2126 44.3637 0.0000 172.4782 97 E 4.0940 8.3524 117.8165 56.6112 30.1166 176.4342 98 C 5.2100 8.4143 121.2508 57.8568 32.2378 173.7646 99 F 4.8597 8.8398 120.3893 57.0142 40.3751 174.9868 100 K 5.3551 8.7271 119.0615 55.0192 36.0170 175.4876 101 A 4.8361 9.0308 122.8743 51.0636 22.9887 175.2892 102 T 5.1375 8.6790 116.9599 61.9718 71.8770 173.4257 103 Y 4.8270 9.3337 127.3159 55.8553 40.3680 174.5889 104 E 4.1663 8.8960 127.2513 56.3610 29.9466 176.7953 *109 S 4.3675 8.4708 118.8484 57.9736 63.6814 172.3611 110 D 4.9535 8.7222 126.4485 52.3259 44.2334 174.4626 111 L 5.1958 8.1957 124.0267 53.3623 44.9920 174.9086 112 F 5.4152 9.5382 123.6268 55.9382 43.3112 173.7776 113 E 5.7840 9.3077 118.9192 54.2869 34.4925 174.2890 114 I 4.9885 8.0826 119.7569 59.4378 42.1591 173.9072 115 Q 4.3629 8.6510 127.5185 55.7099 29.0882 177.4341 116 K 3.6254 8.7844 124.8693 59.1612 32.1528 177.5901 117 N 4.6186 7.8434 112.6707 52.7248 37.8799 175.7340 118 A 3.9840 7.7214 123.2080 54.5281 18.6141 178.2811 119 I 4.1276 7.1820 115.4013 58.5372 40.4181 173.6866 120 P 4.3780 0.0000 0.0000 61.8262 31.9730 175.9165 121 A 4.4078 7.7439 123.6059 53.2766 18.7105 178.4030 122 G 3.9955 8.8841 109.9961 45.1961 0.0000 174.4070 123 S 4.5163 7.7669 115.8949 58.7914 64.4238 172.8598 124 N 5.2124 9.5206 120.9840 51.9358 40.3984 174.6559 125 V 4.9693 8.9280 116.3603 59.5465 36.7954 174.4239 126 I 4.7362 8.1789 121.9516 59.6607 40.5169 174.7812 127 I 4.7338 8.1001 127.6725 60.0543 39.1188 175.2957 128 V 5.2823 8.5735 119.2564 58.9705 35.8529 174.0254 129 D 5.0569 8.4147 121.0544 53.7263 44.5708 175.8627 130 D 4.5318 9.2376 121.2671 56.1647 40.2283 175.9235 131 I 4.9107 7.6680 118.9245 58.5195 40.5968 174.3465 132 I 3.5011 8.0485 126.4466 60.7678 39.0552 173.9121 133 A 4.2370 8.5668 132.2627 52.7750 20.1266 177.8188 134 T 3.6674 8.6207 113.8892 61.5339 70.2472 177.4828 135 G 3.7278 8.0790 109.6581 45.2984 0.0000 175.1886 136 G 2.0000 7.5970 107.6592 47.1643 0.0000 176.2651 137 S 3.6169 7.5014 116.3786 60.6913 63.1078 176.2226 138 A 3.9763 7.6689 123.6967 54.7442 18.2757 179.1485 139 A 3.8968 8.0073 119.3626 55.3229 18.4092 179.7203 140 A 3.9243 7.7636 118.9326 55.2526 18.4213 179.7119 141 A 4.0230 7.8759 119.4577 55.1276 18.3924 180.0276 142 G 3.7166 8.1789 105.6675 47.5261 0.0000 175.7759 143 E 3.9849 8.0871 120.8470 59.0473 29.4287 179.4523 144 L 3.9707 7.8639 119.1257 57.7939 41.6859 179.7188 145 V 3.5319 7.8959 118.2310 65.8271 31.3222 177.6729 146 E 3.8365 8.1624 119.1226 59.4495 29.2797 178.9209 147 Q 3.5847 7.7545 116.7551 58.2646 28.6863 177.8274 148 L 4.3028 7.4328 117.8884 54.2990 41.7251 177.0131 149 E 3.5913 8.1131 118.1830 57.3209 27.5170 173.9207 150 A 4.9093 7.6171 119.3318 50.7266 21.6351 176.9886 151 N 4.6544 9.2547 117.2618 51.8962 40.5340 174.5766 152 L 4.6027 8.3274 126.4906 53.7317 41.7819 175.8271 153 L 4.1122 8.5635 128.1246 57.5859 42.2339 177.0473 154 E 4.9762 7.4417 116.4266 55.9941 33.3147 173.8651 155 Y 5.0071 8.6487 120.6948 56.1852 40.9284 174.7045 156 N 5.4156 9.1119 120.7554 51.6275 42.0024 173.6287 157 F 6.1221 9.2928 121.5283 54.9130 43.1450 176.4846 158 V 3.9078 8.8408 120.4818 65.8912 32.6379 175.6380 159 M 5.1577 8.6466 118.4877 53.4837 36.6892 174.0851 160 E 4.8014 8.4517 120.5868 54.7540 33.0443 175.5792 161 L 4.3723 8.4182 127.6790 53.0776 41.0252 176.6727 162 D 4.3292 8.7473 124.4357 57.2242 41.1253 179.5339 163 F 4.2657 8.3380 112.0634 59.2031 37.8358 175.8667 164 L 3.8156 6.8943 119.7458 54.3986 42.2446 176.4210 165 K 3.7239 7.8602 118.9143 57.2723 30.2298 176.8350 166 G 3.7339 7.4579 107.5442 47.7988 0.0000 175.5406 167 R 3.7600 7.8694 120.0642 58.8334 30.1371 178.1176 168 S 4.2781 7.5711 111.3486 60.1742 63.2315 175.0482 169 K 4.2186 7.8912 119.3729 56.6804 32.3157 176.3349 170 L 4.7045 7.1623 119.1011 53.0322 43.4895 176.2433 171 N 4.4704 8.9742 121.1302 56.1350 39.0426 175.9450 172 A 4.2838 7.9422 119.1914 51.2770 19.3558 175.2588 173 P 4.6514 0.0000 0.0000 63.0137 32.8208 175.5518 174 V 5.1703 8.4756 120.8996 61.2328 34.4902 174.3572 175 F 5.1737 9.5795 129.6172 56.5293 42.3965 173.4487 176 T 4.8264 7.6609 115.5434 59.7472 70.3333 173.4845 177 L 3.6809 8.7294 129.2079 57.4950 42.6125 176.7032 178 L 4.3366 7.9396 122.1571 54.6608 41.4725 176.4389 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 5 S 8.19 4.50 0.00 4.01 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 6 Y 7.72 4.16 0.00 3.02 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 7 A 9.01 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.03 3.92 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 9 E 7.80 3.97 0.00 1.94 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 2.29 2.34 0.00 10 L 8.31 4.09 0.00 1.84 1.64 0.86 0.55 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 11 K 8.46 3.96 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.71 7.81 12 L 7.74 4.02 0.00 1.81 1.73 0.92 0.83 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 13 A 7.53 4.17 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 14 L 6.95 4.42 0.00 1.56 1.63 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.79 5.01 0.00 3.21 2.95 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.50 5.00 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 17 Y 9.05 4.76 0.00 3.13 2.97 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 18 P 0.00 4.63 0.00 2.13 2.10 0.00 4.01 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 2.08 2.04 0.00 19 N 9.00 4.46 0.00 2.92 2.95 0.00 0.00 6.95 7.45 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 20 F 7.63 4.45 0.00 2.99 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 21 P 0.00 3.45 0.00 2.01 1.99 0.00 4.08 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 22 S 7.79 4.36 0.00 3.90 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 23 E 8.65 4.00 0.00 2.00 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 2.24 1.92 0.00 24 G 9.80 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 25 I 7.48 3.92 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 1.11 0.70 0.91 0.00 0.00 26 L 8.65 4.60 0.00 1.69 1.69 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 F 9.65 5.00 0.00 3.48 3.22 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 28 E 7.75 4.57 0.00 1.80 1.55 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 2.11 2.25 0.00 29 D 9.02 4.87 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.21 4.88 0.00 3.23 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 31 L 9.07 4.12 0.00 1.88 1.84 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.31 0.00 2.22 2.00 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 1.87 2.10 0.00 33 I 7.65 3.53 1.40 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 1.36 0.85 0.35 0.00 0.00 34 F 7.53 3.75 0.00 2.86 2.71 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 35 R 7.57 3.99 0.00 1.87 2.00 0.00 3.11 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 36 N 7.69 4.88 0.00 2.71 2.62 0.00 0.00 6.76 7.59 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 37 P 0.00 4.46 0.00 2.32 2.37 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 38 G 8.29 3.50 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 39 L 7.98 3.92 0.00 1.92 1.60 0.86 0.92 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 40 F 8.42 4.18 0.00 3.07 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 41 Q 8.29 3.79 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 42 K 7.65 3.65 0.00 1.69 1.21 0.00 1.40 0.00 0.00 0.96 0.00 0.00 2.52 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.04 7.81 43 L 7.91 3.88 0.00 1.70 1.96 0.84 0.87 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 44 I 7.87 3.99 1.97 0.00 0.00 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 1.66 0.41 0.96 0.00 0.00 45 D 8.65 4.43 0.00 3.00 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 46 A 8.47 4.06 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 47 F 8.17 4.42 0.00 3.38 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 48 K 8.58 4.02 0.00 1.99 2.05 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.51 7.81 49 L 8.42 3.95 0.00 1.84 1.81 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.33 3.90 0.00 2.77 3.26 0.00 5.64 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 51 L 8.23 4.16 0.00 1.80 1.83 1.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.11 4.06 0.00 2.07 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 0.00 2.36 2.54 0.00 53 E 7.98 4.04 0.00 1.92 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 2.28 2.60 0.00 54 A 7.91 3.79 0.50 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 55 F 7.83 4.93 0.00 3.27 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 56 P 0.00 4.37 0.00 2.16 2.16 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 57 E 8.05 4.70 0.00 1.95 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 2.19 2.25 0.00 58 V 7.54 4.32 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 0.71 0.00 0.00 1.04 0.00 0.00 59 K 8.66 4.09 0.00 1.73 1.66 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 60 I 8.08 4.20 1.80 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 1.15 0.57 0.81 0.00 0.00 61 D 9.05 4.37 0.00 2.67 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 0.00 0.00 0.00 0.00 62 Y 7.56 5.11 0.00 2.84 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 63 I 9.00 4.72 2.07 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 1.16 1.36 1.01 0.00 0.00 64 V 8.36 4.84 1.94 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 0.81 0.00 0.00 0.77 0.00 0.00 65 G 7.92 4.69 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 0.00 0.00 0.00 66 L 8.47 4.86 0.00 1.72 1.62 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.57 3.03 0.00 1.82 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 2.14 1.76 0.00 68 S 8.54 3.67 0.00 3.77 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 69 R 7.99 4.29 0.00 1.96 2.18 0.00 3.44 0.00 0.00 3.48 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 70 G 8.36 3.75 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 0.00 0.00 0.00 71 F 8.08 4.52 0.00 3.16 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 72 L 7.85 4.07 0.00 1.80 0.66 0.83 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.19 5.37 0.00 3.61 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 74 G 7.71 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.82 0.00 1.85 1.58 0.00 3.37 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 76 T 7.85 3.87 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 1.01 0.00 0.00 77 L 8.35 4.05 0.00 2.06 2.02 1.12 0.86 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 78 A 8.28 4.03 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.88 0.00 1.88 1.81 0.92 1.16 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 80 A 8.02 4.04 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 81 L 8.01 4.29 0.00 1.79 1.73 0.97 0.84 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 82 G 7.89 3.79 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 0.00 0.00 0.00 83 V 7.89 4.42 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 0.92 0.00 0.00 84 G 8.02 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 85 F 8.74 5.49 0.00 3.03 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 86 V 7.33 4.29 1.72 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 0.72 0.00 0.00 0.60 0.00 0.00 87 P 0.00 5.17 0.00 2.26 1.83 0.00 3.66 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 88 V 8.77 4.55 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 1.16 0.00 0.00 0.94 0.00 0.00 89 R 8.77 5.38 0.00 1.90 1.99 0.00 3.38 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 90 K 9.10 4.09 0.00 1.61 1.55 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.51 7.81 91 A 8.11 4.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.42 4.23 0.00 1.94 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.58 7.81 94 L 7.70 4.33 0.00 1.65 1.60 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 103 Y 9.33 4.83 0.00 3.06 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 0.00 104 E 8.90 4.17 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 *109 S 8.47 4.37 0.00 3.80 3.76 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 0.00 110 D 8.72 4.95 0.00 2.83 2.38 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 0.00 111 L 8.20 5.20 0.00 1.71 1.39 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.54 5.42 0.00 3.06 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 0.00 113 E 9.31 5.78 0.00 1.91 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 2.12 0.00 114 I 8.08 4.99 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.77 1.05 0.00 0.00 115 Q 8.65 4.36 0.00 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0.00 0.00 0.00 1.03 0.43 0.81 0.00 0.00 132 I 8.05 3.50 0.56 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.80 0.33 0.00 0.00 133 A 8.57 4.24 1.10 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 0.00 134 T 8.62 3.67 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 1.22 0.00 0.00 135 G 8.08 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 0.00 0.00 0.00 136 G 7.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.50 3.62 0.00 3.64 4.16 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 0.00 138 A 7.67 3.98 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 0.00 139 A 8.01 3.90 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 0.00 140 A 7.76 3.92 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 0.00 141 A 7.88 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.18 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 0.00 143 E 8.09 3.98 0.00 2.26 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 0.00 2.33 2.50 0.00 144 L 7.86 3.97 0.00 1.90 1.77 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.90 3.53 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 0.89 0.00 0.00 0.86 0.00 0.00 146 E 8.16 3.84 0.00 2.20 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 2.24 2.30 0.00 147 Q 7.75 3.58 0.00 1.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.38 0.00 148 L 7.43 4.30 0.00 1.83 1.69 0.89 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.11 3.59 0.00 2.16 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 0.00 2.17 2.17 0.00 150 A 7.62 4.91 1.23 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 0.00 0.00 151 N 9.25 4.65 0.00 2.81 2.69 0.00 0.00 6.97 7.14 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 0.00 152 L 8.33 4.60 0.00 1.46 1.48 0.57 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.56 4.11 0.00 1.04 0.92 0.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.44 4.98 0.00 2.23 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 2.56 2.51 0.00 155 Y 8.65 5.01 0.00 3.03 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 0.00 0.00 0.00 0.00 156 N 9.11 5.42 0.00 2.54 2.84 0.00 0.00 6.56 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 0.00 157 F 9.29 6.12 0.00 3.06 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 0.00 158 V 8.84 3.91 2.27 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 1.08 0.00 0.00 0.94 0.00 0.00 159 M 8.65 5.16 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 160 E 8.45 4.80 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 161 L 8.42 4.37 0.00 1.36 1.50 0.94 0.94 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 0.00 162 D 8.75 4.33 0.00 2.77 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 0.00 163 F 8.34 4.27 0.00 3.12 3.18 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 0.00 164 L 6.89 3.82 0.00 1.39 1.42 0.64 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 165 K 7.86 3.72 0.00 1.84 1.75 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.42 7.81 166 G 7.46 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 0.00 0.00 0.00 167 R 7.87 3.76 0.00 1.94 1.90 0.00 3.19 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 168 S 7.57 4.28 0.00 3.94 3.94 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 0.00 169 K 7.89 4.22 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.31 7.81 170 L 7.16 4.70 0.00 1.54 1.39 0.30 0.76 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 0.00 171 N 8.97 4.47 0.00 2.77 2.92 0.00 0.00 6.99 7.35 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 0.00 172 A 7.94 4.28 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 0.00 173 P 0.00 4.65 0.00 2.26 2.11 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 174 V 8.48 5.17 2.23 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 1.09 0.00 0.00 1.12 0.00 0.00 175 F 9.58 5.17 0.00 3.16 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 0.00 176 T 7.66 4.83 4.16 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 1.39 0.00 0.00 177 L 8.73 3.68 0.00 1.21 1.66 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.94 4.34 0.00 1.51 1.49 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.