NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4921 8.3044 118.7650 54.0514 34.1339 175.8554 2 D 4.6103 7.3179 120.2927 53.8321 39.5824 174.2241 3 F 5.0753 9.0204 121.1458 57.0690 41.1411 174.8576 4 R 4.9419 9.3062 119.8185 54.6675 34.5412 174.1466 5 I 4.9713 8.5090 115.3496 59.2797 40.7838 174.5035 6 G 4.3641 9.1272 110.5535 44.6236 0.0000 171.2938 7 Q 5.1866 8.7005 118.1726 54.1924 31.8990 174.5281 8 G 4.4104 9.3851 107.6288 44.8684 0.0000 170.7380 9 Y 5.3826 8.5006 121.4652 55.9939 42.3762 173.6230 10 D 4.6257 8.0579 123.7435 53.0852 45.2683 174.1398 11 V 4.9341 7.8210 121.6796 60.7034 34.8390 173.8621 12 H 4.9764 8.8316 117.8837 54.1362 33.6409 173.0252 13 Q 4.6099 8.7843 120.4377 56.0756 30.1006 174.8055 14 L 5.0203 8.8488 125.8064 54.0571 43.1688 176.1403 15 V 4.6568 9.0634 119.2673 58.7083 36.0445 173.6818 16 P 4.6194 0.0000 0.0000 63.4234 31.5871 175.0607 17 G 4.2965 9.0416 111.7828 45.9207 0.0000 174.7707 18 R 4.2047 7.5543 118.6966 54.6323 30.9469 174.0452 19 P 4.5021 0.0000 0.0000 62.6681 32.6554 175.6684 20 L 4.3444 8.5441 124.5774 54.5540 43.2120 175.3016 21 I 4.9449 8.3200 127.8057 59.6323 40.2709 175.0100 22 I 4.5149 8.2739 128.1385 60.3716 40.0322 176.2211 23 G 3.5608 9.8897 113.1032 46.6250 0.0000 175.0864 24 G 3.8892 8.9705 107.2717 44.9007 0.0000 174.2009 25 V 4.1663 7.3666 120.5746 61.0554 32.6665 174.5808 26 T 4.6590 8.4717 124.6301 63.5073 68.9280 173.9243 27 I 4.3392 8.3837 128.4500 58.4464 39.2149 174.1314 28 P 4.3684 0.0000 0.0000 63.3534 31.3484 175.2337 29 Y 4.6911 8.2093 122.4075 56.8747 41.3881 174.2012 30 E 3.9457 7.4204 122.0854 57.6636 30.2739 176.1055 31 R 4.9716 7.0285 118.1398 54.7018 34.5799 174.2472 32 G 4.5315 9.1914 106.9892 43.6924 0.0000 171.4991 33 L 4.9190 8.4034 120.1515 54.1084 42.5131 176.5226 34 L 4.3128 8.7999 127.2808 54.5274 42.9070 176.2380 35 G 3.9798 8.1321 115.8549 46.5914 0.0000 172.3542 *36 H 4.3601 8.5644 115.8480 57.1769 28.9650 174.2828 37 S 4.7600 7.5719 122.9979 58.1019 62.6636 175.8696 38 D 4.3981 8.8487 118.4642 53.6371 39.4745 175.8712 39 A 3.5310 7.3193 121.1667 53.1344 16.7096 179.2320 40 D 4.6852 7.8565 122.2968 53.4558 40.4260 175.0933 41 V 4.2857 8.0676 127.8708 63.8509 31.2491 177.9743 42 L 3.8654 7.8083 120.1167 57.9317 42.0451 178.8089 43 L 4.0250 8.0282 118.8027 58.0387 41.4001 179.3108 44 H 4.3070 8.2781 116.0949 58.7409 28.6616 177.6938 45 A 4.0104 7.9604 122.3396 55.2707 18.2595 179.7652 46 I 3.6613 7.8332 118.2918 64.7131 37.1176 178.6597 47 T 3.7071 8.1592 116.8252 66.8657 68.2623 176.2590 48 D 4.4941 8.4565 120.5693 57.4211 40.8584 178.7177 49 A 4.1255 8.1291 121.1993 55.1197 18.4600 179.8064 50 L 3.8282 7.9420 117.3970 58.0038 41.7783 179.6451 51 F 4.4891 8.0726 117.9284 60.4368 38.7675 178.0507 52 G 3.5574 8.4741 105.3756 47.8023 0.0000 175.6425 53 A 4.1356 8.0871 123.4575 53.9264 18.4936 178.7288 54 A 2.7878 7.4788 115.3532 50.7289 19.5030 176.8804 55 A 3.7490 7.5206 119.7607 53.8265 16.5619 177.6969 56 L 4.7123 8.7430 115.4854 54.8413 43.6283 178.1231 57 G 3.9590 9.2065 108.8886 44.9673 0.0000 175.6197 58 D 4.8165 7.9800 126.0352 50.6046 43.4420 175.3113 59 I 3.8196 9.0131 119.1449 64.3732 37.8271 178.0212 60 G 3.6861 8.2049 108.4466 48.3731 0.0000 176.2714 61 R 4.0348 8.2855 122.3119 61.0158 29.4802 181.1741 62 H 4.1853 7.3831 113.8412 56.7559 30.1926 175.7957 63 F 5.0813 7.7714 120.3260 56.6421 39.0872 175.5218 64 S 4.5515 8.3518 119.9288 59.7671 63.4324 173.7470 *68 P 4.4284 0.0000 0.0000 62.9524 32.0177 177.2367 69 R 3.8517 8.9116 114.4112 60.0928 29.2904 174.0049 70 F 4.2525 8.3446 117.5773 58.7108 39.0619 175.6525 71 K 4.2081 7.7160 124.3416 56.4987 31.3426 182.3670 72 G 4.0861 9.0464 112.6298 44.2601 0.0000 173.4753 73 A 4.1611 7.3434 123.1576 51.6632 19.2204 177.7230 74 D 4.6788 8.3124 121.0748 53.0288 42.0327 177.9854 75 S 4.2305 8.9613 116.4245 61.5477 62.8160 177.3072 76 R 3.9763 7.9683 120.4320 58.7361 29.8365 178.7245 77 A 3.9741 7.5074 121.0967 55.2334 18.4416 179.6092 78 L 3.5416 7.6241 117.0883 57.6124 41.4767 179.7060 79 L 3.8895 7.9812 120.2211 58.2316 42.0375 179.1414 80 R 4.0462 7.8479 117.8347 59.2969 29.9599 178.6791 81 E 3.9981 8.3651 119.0352 59.2930 29.5758 178.1324 82 C 3.8799 8.6149 118.9919 62.6292 31.4958 175.4324 83 A 3.9115 8.1853 122.3549 55.2622 17.9333 179.6876 84 S 4.1001 8.3213 113.6678 62.0605 62.9773 177.3218 85 R 4.1606 8.2846 120.6750 59.0665 29.8156 179.4144 86 V 3.6555 8.2128 118.2998 65.9043 31.5697 177.9305 87 A 4.3667 8.3758 122.2934 54.8528 18.0194 179.4292 88 Q 3.9899 8.5294 115.4619 59.1835 28.9618 178.6806 89 A 4.3589 7.9466 118.8431 52.9490 18.6329 178.0426 90 G 3.7398 8.4002 106.5308 44.8700 0.0000 172.6681 91 F 5.3455 8.2385 117.4141 55.2857 41.9605 174.3951 92 A 4.8492 9.0702 124.3752 50.2091 21.6019 175.9000 93 I 4.1850 8.3605 122.5399 61.5546 37.5383 175.7974 94 R 4.5838 9.1517 126.7108 57.8744 31.4168 176.2204 95 N 5.1209 7.7306 113.6011 51.9385 40.9393 173.2698 96 V 4.9092 8.8480 119.3112 61.2619 35.0519 173.7593 97 D 5.4489 9.1965 126.0274 51.7722 45.0591 174.0924 98 S 5.0898 8.1420 115.0719 57.9448 66.4410 173.4298 99 T 4.9389 8.9768 117.5609 61.9960 72.6755 172.8325 100 I 4.7597 9.0313 126.8322 59.7455 39.7928 174.6045 101 I 4.9124 8.9642 128.3764 59.7265 38.9155 174.8634 102 A 4.6932 9.0845 129.7808 50.5121 21.9636 176.6511 103 Q 3.8423 9.0330 124.3327 58.6355 29.5236 175.9719 104 A 4.6308 7.3570 117.3287 49.8202 22.3353 174.0371 105 P 4.5829 0.0000 0.0000 61.2801 33.6638 175.4694 106 K 4.0170 8.5040 117.8568 57.2893 32.2153 176.9060 107 L 4.4488 8.4403 122.5090 55.3463 43.2405 178.3095 108 A 3.9764 8.2880 121.0054 55.0735 17.9130 177.6573 109 P 4.2679 0.0000 0.0000 64.6361 31.7852 177.2843 110 H 4.8217 8.1113 114.2186 55.6084 29.6033 176.5037 111 I 3.6829 7.4416 123.0206 64.6284 37.0607 177.9236 112 D 4.3276 8.1163 118.8823 57.2628 40.6163 178.6420 113 A 4.0233 7.9247 120.9481 55.1667 18.4272 179.3654 114 M 4.1987 7.9348 118.4940 57.9656 31.9904 178.5626 115 R 3.8509 8.1322 118.7480 59.6814 30.0683 178.1722 116 A 3.9743 7.8938 119.9597 55.2022 18.3574 179.2476 117 N 4.2485 8.1127 114.8957 56.6254 38.6580 177.7224 118 I 3.6736 7.9319 120.8577 64.3352 37.1226 178.3947 119 A 3.9750 8.3296 121.6909 54.9862 18.1470 179.5530 120 A 3.9134 8.2691 119.4894 55.5911 18.3181 179.7233 121 D 4.3824 8.1316 115.9041 56.6197 40.9372 177.9634 122 L 4.4163 7.7240 116.8027 53.1726 42.6897 175.5132 123 D 4.3706 7.6606 117.1933 55.4589 40.1419 172.9455 124 L 4.8240 7.8187 116.3977 51.7274 44.7024 175.3939 125 P 4.4754 0.0000 0.0000 62.2672 32.3008 177.1440 126 L 3.9446 8.5402 121.6921 58.3102 42.0830 178.1729 127 D 4.6083 8.0616 114.6660 54.1384 39.4831 176.3425 128 R 4.6082 8.0876 118.0091 56.0695 31.8366 175.2189 129 V 4.8010 7.8000 119.5574 61.0162 33.6767 174.3484 130 N 5.1008 9.0300 125.1516 51.9365 42.7375 172.9789 131 V 4.9487 8.3153 123.8981 59.9339 34.6808 174.5019 132 K 4.8189 9.0319 125.8496 54.4836 35.8557 174.6942 133 A 5.1902 8.5310 123.9247 50.2475 21.4270 175.9742 134 K 4.7552 9.2599 120.7474 54.8789 36.9155 176.2064 135 T 4.8108 8.3836 112.9727 59.5824 71.3850 173.5617 136 N 4.7801 8.5866 116.7146 53.1946 39.1822 174.0888 137 E 3.8479 8.6519 112.5902 56.9624 27.7032 175.3548 138 K 4.0614 8.4160 112.3747 57.2946 30.5799 175.6289 139 L 4.5051 7.9422 119.0433 53.8975 43.7278 178.5471 140 G 4.2507 8.4931 111.8511 45.0958 0.0000 173.2483 141 Y 4.6603 8.1291 117.0562 59.5787 37.6611 178.3959 142 L 4.0448 7.1342 120.5361 57.6808 41.6591 179.4619 143 G 3.6772 7.9919 104.3399 47.2837 0.0000 174.8981 144 R 4.4541 7.8067 117.5636 55.2906 30.3712 176.7563 145 G 4.0309 7.8273 106.6862 46.6156 0.0000 175.3104 146 E 4.1465 8.6401 122.5478 58.7574 29.6873 176.6182 147 G 4.5100 7.5840 103.2845 45.6423 0.0000 172.4405 148 I 4.9598 8.6855 119.6086 59.3540 41.2490 174.6796 149 E 5.0803 8.9178 126.3689 54.3177 32.7469 174.3552 150 A 5.2516 8.6327 126.1136 50.2148 22.6866 174.9799 151 Q 5.2340 9.3237 119.0988 54.1565 32.5296 174.7164 152 A 5.2866 9.1563 122.9893 50.3354 23.3339 174.8116 153 A 5.2000 9.2554 120.6469 50.2076 22.9229 175.2262 154 A 5.0346 9.2115 122.1341 50.1049 23.3207 174.6580 155 L 5.1397 8.6905 123.0851 53.4313 44.6926 175.8123 156 V 5.1896 8.9055 118.5980 59.4918 36.4788 174.7285 157 V 4.7187 8.7541 121.0221 59.8086 34.4810 174.7785 158 R 4.0546 8.7120 125.8476 55.8551 30.3646 176.1817 159 E 4.0606 8.6962 126.0804 56.6586 29.4854 176.6759 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 M 8.30 4.49 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.32 4.61 0.00 2.83 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 3 F 9.02 5.08 0.00 3.00 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 4 R 9.31 4.94 0.00 1.69 1.80 0.00 3.33 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 5 I 8.51 4.97 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 1.30 0.95 0.93 0.00 0.00 6 G 9.13 4.36 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 0.00 7 Q 8.70 5.19 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.39 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 0.00 0.00 0.00 0.00 9 Y 8.50 5.38 0.00 2.93 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 10 D 8.06 4.63 0.00 2.77 2.46 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 11 V 7.82 4.93 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 0.82 0.00 0.00 1.09 0.00 0.00 12 H 8.83 4.98 0.00 3.08 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.78 4.61 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 14 L 8.85 5.02 0.00 1.76 1.74 1.01 1.00 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 15 V 9.06 4.66 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 0.67 0.00 0.00 1.00 0.00 0.00 16 P 0.00 4.62 0.00 1.92 1.96 0.00 3.72 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 17 G 9.04 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 18 R 7.55 4.20 0.00 1.87 1.86 0.00 3.29 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 19 P 0.00 4.50 0.00 2.07 2.05 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 L 8.54 4.34 0.00 2.13 1.85 0.88 0.73 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 21 I 8.32 4.94 1.83 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 1.11 0.88 0.00 0.00 22 I 8.27 4.51 1.82 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 1.18 0.71 0.87 0.00 0.00 23 G 9.89 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.97 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 25 V 7.37 4.17 2.19 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 0.96 0.00 0.00 0.97 0.00 0.00 26 T 8.47 4.66 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 1.21 0.00 0.00 27 I 8.38 4.34 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.53 0.77 0.00 0.00 28 P 0.00 4.37 0.00 1.99 2.05 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 29 Y 8.21 4.69 0.00 2.89 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 30 E 7.42 3.95 0.00 1.96 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 1.64 1.97 0.00 31 R 7.03 4.97 0.00 1.96 1.97 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 32 G 9.19 4.53 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 33 L 8.40 4.92 0.00 1.50 1.58 0.92 1.04 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 34 L 8.80 4.31 0.00 1.63 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.13 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 *36 H 8.56 4.36 0.00 2.94 2.91 0.00 7.20 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.57 4.76 0.00 4.00 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 38 D 8.85 4.40 0.00 2.75 2.81 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 39 A 7.32 3.53 1.09 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 40 D 7.86 4.69 0.00 2.69 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 41 V 8.07 4.29 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 1.01 0.00 0.00 0.89 0.00 0.00 42 L 7.81 3.87 0.00 1.74 1.83 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.03 4.03 0.00 1.71 1.70 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.28 4.31 0.00 3.49 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.96 4.01 1.38 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 46 I 7.83 3.66 1.85 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 1.51 0.91 0.88 0.00 0.00 47 T 8.16 3.71 4.49 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 1.27 0.00 0.00 48 D 8.46 4.49 0.00 2.95 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 49 A 8.13 4.13 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 50 L 7.94 3.83 0.00 1.57 1.48 0.83 0.84 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 51 F 8.07 4.49 0.00 3.02 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 52 G 8.47 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.09 4.14 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 54 A 7.48 2.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.52 3.75 1.31 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.35 4.55 0.00 3.63 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 *68 P 0.00 4.43 0.00 2.43 2.38 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 69 R 8.91 3.85 0.00 1.85 1.90 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 70 F 8.34 4.25 0.00 3.23 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 71 K 7.72 4.21 0.00 1.73 1.63 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 72 G 9.05 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 73 A 7.34 4.16 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 74 D 8.31 4.68 0.00 3.08 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 75 S 8.96 4.23 0.00 3.87 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 76 R 7.97 3.98 0.00 1.84 2.05 0.00 3.11 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 77 A 7.51 3.97 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 78 L 7.62 3.54 0.00 1.75 1.42 0.82 -0.23 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 79 L 7.98 3.89 0.00 1.86 1.79 0.86 0.73 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 80 R 7.85 4.05 0.00 2.09 1.99 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 81 E 8.37 4.00 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 82 C 8.61 3.88 0.00 2.79 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 83 A 8.19 3.91 1.37 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 0.00 0.00 84 S 8.32 4.10 0.00 4.11 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 85 R 8.28 4.16 0.00 2.19 2.15 0.00 3.27 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 86 V 8.21 3.66 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 1.04 0.00 0.00 0.85 0.00 0.00 87 A 8.38 4.37 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 88 Q 8.53 3.99 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 89 A 7.95 4.36 1.64 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 90 G 8.40 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 91 F 8.24 5.35 0.00 3.13 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 92 A 9.07 4.85 1.21 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 0.00 0.00 93 I 8.36 4.19 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 1.33 0.59 0.91 0.00 0.00 94 R 9.15 4.58 0.00 1.92 2.08 0.00 3.47 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 95 N 7.73 5.12 0.00 2.88 2.89 0.00 0.00 5.58 7.68 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 96 V 8.85 4.91 2.07 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.20 5.45 0.00 2.78 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.14 5.09 0.00 3.96 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 99 T 8.98 4.94 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 1.21 0.00 0.00 100 I 9.03 4.76 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.93 0.00 0.00 101 I 8.96 4.91 1.85 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 1.15 0.91 0.92 0.00 0.00 102 A 9.08 4.69 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 0.00 103 Q 9.03 3.84 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 104 A 7.36 4.63 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 0.00 105 P 0.00 4.58 0.00 2.14 2.04 0.00 3.29 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 106 K 8.50 4.02 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 107 L 8.44 4.45 0.00 1.67 1.68 0.87 0.80 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 0.00 108 A 8.29 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 0.00 109 P 0.00 4.27 0.00 1.72 2.01 0.00 3.52 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 1.95 2.11 0.00 110 H 8.11 4.82 0.00 3.21 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.44 3.68 1.86 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 1.75 0.86 0.94 0.00 0.00 112 D 8.12 4.33 0.00 2.68 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 0.00 113 A 7.92 4.02 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 0.00 114 M 7.93 4.20 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 115 R 8.13 3.85 0.00 1.99 2.17 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 116 A 7.89 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.48 0.00 2.46 2.18 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 126 L 8.54 3.94 0.00 1.74 1.71 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.06 4.61 0.00 2.83 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 0.00 128 R 8.09 4.61 0.00 1.92 2.08 0.00 3.07 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 129 V 7.80 4.80 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 0.74 0.00 0.00 0.93 0.00 0.00 130 N 9.03 5.10 0.00 2.84 2.77 0.00 0.00 6.29 7.78 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 0.00 131 V 8.32 4.95 2.07 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 1.20 0.00 0.00 0.92 0.00 0.00 132 K 9.03 4.82 0.00 1.77 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.48 7.81 133 A 8.53 5.19 1.17 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 0.00 0.00 134 K 9.26 4.76 0.00 1.56 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.50 7.81 135 T 8.38 4.81 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 1.19 0.00 0.00 136 N 8.59 4.78 0.00 2.73 2.71 0.00 0.00 7.04 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 0.00 137 E 8.65 3.85 0.00 2.11 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 2.25 2.39 0.00 138 K 8.42 4.06 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 139 L 7.94 4.51 0.00 1.75 1.51 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.49 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 0.00 0.00 0.00 0.00 141 Y 8.13 4.66 0.00 3.26 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 0.00 142 L 7.13 4.04 0.00 1.47 1.64 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.99 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.81 4.45 0.00 1.89 2.02 0.00 3.32 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 145 G 7.83 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 0.00 146 E 8.64 4.15 0.00 2.34 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 2.39 2.34 0.00 147 G 7.58 4.51 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 0.00 0.00 0.00 148 I 8.69 4.96 1.87 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 1.08 1.27 0.90 0.00 0.00 149 E 8.92 5.08 0.00 2.07 1.76 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 2.13 2.11 0.00 150 A 8.63 5.25 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 0.00 151 Q 9.32 5.23 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 152 A 9.16 5.29 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.26 5.20 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 0.00 154 A 9.21 5.03 1.16 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 0.00 0.00 155 L 8.69 5.14 0.00 1.81 1.68 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.91 5.19 2.26 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 0.68 0.00 0.00 0.82 0.00 0.00 157 V 8.75 4.72 1.53 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 0.73 0.00 0.00 0.35 0.00 0.00 158 R 8.71 4.05 0.00 1.51 1.86 0.00 2.21 0.00 0.00 2.96 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 159 E 8.70 4.06 0.00 1.88 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 2.43 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.