NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.3136 8.1300 115.1709 56.5248 39.7836 176.8182 13 V 3.4620 7.9937 123.2479 66.6458 31.4020 175.3474 14 A 3.9828 8.7490 121.3567 55.2612 18.8959 178.7489 15 E 3.9676 8.2550 116.6184 59.7268 29.6035 179.5796 16 L 4.0603 8.2219 118.9526 57.7082 41.2019 178.9151 17 N 4.5568 8.4957 117.1310 56.5797 38.5937 175.7840 18 N 4.7418 7.8063 114.7832 53.9920 38.8907 175.2869 19 L 4.6633 8.0221 120.6478 54.0350 42.4466 176.0517 20 L 4.1988 7.3328 118.7072 56.7465 41.7650 178.0252 21 G 3.9853 9.0940 112.0324 45.2734 0.0000 173.3700 22 R 4.6289 7.7806 118.8874 54.5025 32.6779 175.2518 23 E 4.6592 8.6207 122.7718 56.3903 30.6578 175.9692 24 V 4.8952 9.0616 119.3684 59.6747 37.1143 173.9726 25 Q 5.0487 9.0535 119.0744 54.4989 31.6873 174.5816 26 V 4.7479 9.1188 122.6538 61.1699 34.3499 174.0817 27 V 4.5519 8.5429 128.6194 61.7120 33.0529 174.7565 28 L 5.4255 8.8788 128.1425 52.9382 44.3849 177.6193 29 S 4.4184 9.1316 115.5362 59.7703 63.1632 174.4373 30 N 4.7059 8.2545 118.0807 52.7950 37.3089 175.8947 31 G 4.0150 8.2180 108.7472 45.4968 0.0000 174.2126 32 E 4.2632 8.3623 119.4225 56.1920 31.2864 176.1628 33 V 4.7838 8.0004 121.1862 61.5418 34.9434 173.4321 34 Y 5.0442 9.0474 126.0205 56.0792 40.4629 174.6255 35 K 4.9769 8.6306 125.2619 54.8791 35.3909 175.3534 36 G 4.3277 8.2902 112.7048 45.9474 0.0000 171.9839 37 V 4.3960 7.9548 120.0581 62.2064 33.0084 175.3921 38 L 4.3045 8.8361 130.2426 55.6933 42.1629 176.3145 39 H 4.5484 9.2387 127.4785 58.1158 31.0443 174.9395 40 A 4.8096 7.5754 117.0355 50.9311 22.4531 175.5534 41 V 5.0287 8.3165 118.7510 60.1905 34.8814 174.2725 42 D 5.1284 8.2844 122.5432 51.2593 42.0807 176.3001 43 N 4.3501 8.6162 115.1818 56.2994 38.4781 176.2077 44 Q 3.8800 8.0000 114.5203 55.5208 29.1079 175.6495 45 L 3.7804 7.7434 116.9899 55.6886 39.3888 174.3925 46 N 4.8938 8.5779 115.8352 53.4673 40.0627 174.4194 47 I 4.8742 8.7375 121.9306 59.5654 41.4891 174.4210 48 V 4.6809 9.0110 126.3914 61.1160 33.8589 174.3138 49 L 5.2312 8.7294 127.5052 52.9795 44.9327 175.0252 50 A 4.9050 9.0749 123.8081 50.8300 21.3060 176.6034 51 N 4.3069 8.5611 118.8892 54.3732 36.9468 173.3488 52 A 5.1932 7.9009 119.3676 50.4325 22.5984 177.3429 53 S 5.8798 9.3748 114.3588 55.5303 66.7170 173.1589 54 N 5.4246 8.0928 121.7063 50.2388 39.5175 175.8136 55 K 3.8854 8.4001 117.1716 59.3002 32.1027 178.2484 56 A 4.0672 7.8805 119.1390 52.6570 18.3100 178.0808 57 G 3.8865 8.1256 104.7330 44.9562 0.0000 173.6555 58 E 4.0488 8.2700 120.8720 55.7627 30.4915 175.7261 59 K 5.0367 8.0497 125.2347 54.5207 35.2275 175.0082 60 F 4.9151 8.8088 124.1312 55.5185 43.0066 175.3019 61 N 4.5942 9.0375 120.5669 56.0675 39.9135 174.8500 62 R 4.9546 7.8195 115.2257 54.3919 34.5135 174.9193 63 V 4.0616 8.2857 122.7469 61.0467 34.3919 174.1517 64 F 4.7507 8.8437 127.2392 56.5327 39.7675 175.1553 65 I 4.4210 8.6217 130.8163 60.6432 39.8447 176.5799 *67 Y 4.7642 8.4956 119.4631 58.1576 39.7540 177.6053 68 R 3.6056 6.9862 117.8597 58.4077 30.2415 176.6565 69 Y 4.3843 7.7627 113.3747 57.6090 38.5526 174.5018 70 I 4.3554 7.6136 122.1769 61.0755 37.4420 175.7968 71 V 4.1510 8.8400 128.4236 65.0783 32.0531 175.3968 72 H 4.9701 7.6934 113.3812 54.7445 31.7783 171.7262 73 I 5.0603 8.2225 119.2137 59.6983 40.1146 174.8335 74 D 5.0961 9.3361 125.6347 52.1150 45.0098 175.6929 75 S 4.4990 8.7513 116.3409 58.6212 63.7899 174.0809 76 T 4.4386 8.3599 111.0545 61.7340 70.3930 174.2693 77 E 4.4964 7.8981 121.1294 55.0911 30.9187 176.0277 78 R 4.3403 8.1743 120.7145 55.3842 31.2780 176.9154 79 R 4.1534 8.1750 119.0218 55.7697 30.8111 176.8071 80 I 3.7259 7.8658 120.5117 60.8893 38.7424 175.3845 81 D 4.5204 8.2484 125.3752 53.7935 42.6208 176.7410 *83 R 3.7026 8.3524 117.7015 55.9730 32.0416 177.9644 84 E 3.9991 8.3598 118.1323 59.0986 29.4863 178.6444 85 F 3.7217 8.2087 120.6262 60.9374 39.1766 176.8395 86 A 4.1065 8.0403 118.9068 55.1916 18.5215 179.2870 87 K 4.0665 8.1150 116.7188 59.9660 32.0319 179.7032 88 Q 4.0298 8.1273 117.8006 58.8750 28.5809 178.8870 89 A 3.9119 8.0254 122.0404 54.7203 17.8439 179.1961 90 E 3.9803 8.0885 118.2167 59.5685 29.4811 179.2474 91 K 3.9925 7.4262 116.9926 59.4197 32.1208 178.9960 92 I 3.7504 7.4227 118.7559 62.6402 38.2280 176.2013 93 F 5.0112 8.2933 116.7507 57.2171 39.4071 173.8000 94 P 4.2053 0.0000 0.0000 63.8222 32.0767 176.9581 95 G 3.5839 9.0961 113.4015 46.2658 0.0000 173.8414 *97 V 4.1778 7.3611 115.8585 62.6271 33.3179 175.3941 98 K 4.6594 9.0248 126.5007 54.7865 35.7832 174.4602 99 Y 4.7829 8.7447 126.5743 56.8136 40.6837 174.0013 100 I 4.1763 8.5663 129.4898 59.2987 37.8298 176.0876 101 E 3.6268 8.3308 129.5049 58.6797 29.9126 178.5015 102 E 3.8988 8.1837 118.9547 58.7374 29.5681 177.1710 103 T 4.4551 7.2533 104.1551 60.2093 69.7070 172.6934 104 N 4.3803 7.5777 118.1503 54.6282 37.8515 173.6189 105 V 4.6434 7.2685 114.6608 60.6869 35.3709 174.0313 106 V 5.0830 8.7375 125.3467 61.1794 34.0893 174.1518 107 L 5.0553 9.1650 128.0931 53.3182 44.2486 175.7174 108 I 4.3382 8.3172 123.3548 60.0419 39.8657 175.3595 109 G 3.8933 8.8617 118.2410 46.5129 0.0000 173.0206 110 D 4.8839 8.7203 121.2621 54.0118 42.3232 176.1963 111 K 4.5560 7.9974 116.3091 55.5604 33.8839 175.6157 112 V 4.6796 7.4578 119.2858 60.9937 34.7805 174.3092 113 R 4.9818 8.9008 126.8323 54.6287 33.6955 173.6024 114 V 4.8392 9.0077 126.3223 61.1307 34.6153 174.4323 115 S 5.1158 8.5375 121.6246 56.0382 66.4141 174.3076 116 E 4.2832 9.0081 116.4380 57.8638 29.3830 177.1642 117 I 4.3433 8.7465 112.2094 59.6403 38.3834 175.3342 118 G 3.4628 6.3479 110.7601 45.3890 0.0000 171.1729 119 V 4.5846 7.3469 118.9140 60.8616 33.2630 174.4485 120 E 4.5257 9.2384 126.9011 55.1877 31.4972 174.9279 121 G 4.2571 8.3292 108.5170 43.9925 0.0000 173.1454 122 V 4.3641 8.1140 117.8483 60.3087 34.6125 174.5284 123 G 3.8051 8.8187 106.0262 43.8651 0.0000 172.6462 124 P 4.3148 0.0000 0.0000 65.7012 30.9791 179.1909 125 V 3.7994 7.8244 116.1201 66.0571 31.5387 177.7563 126 A 4.0019 7.9881 120.0380 55.2018 18.3577 179.3078 127 E 3.9417 8.7674 117.4866 59.6867 29.6380 179.6426 128 R 4.0461 8.5728 118.7976 59.1854 30.0295 178.4225 129 A 4.3614 8.5271 121.1747 55.2623 18.4378 179.7562 130 K 4.0733 8.5132 117.2000 59.6559 32.1037 179.8233 131 R 4.2312 8.1013 118.0146 59.2697 29.9097 178.8914 132 L 4.1594 8.2148 120.1470 57.9500 42.2189 178.6877 133 F 4.2609 8.9705 120.9398 61.6131 39.1573 176.8210 134 E 4.2182 8.8347 117.1268 59.7009 29.4311 178.8542 135 E 4.1607 8.4530 118.4589 59.6625 29.4290 179.5213 136 F 3.9680 8.3892 117.4394 60.3806 38.7606 177.3943 137 L 4.3036 7.8001 116.4332 56.3837 41.5368 178.2950 138 K 4.3193 7.4231 117.7437 55.9206 32.2059 176.8352 139 R 4.2300 7.6768 124.4884 56.6423 30.4531 175.9812 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 12 F 8.13 5.31 0.00 3.17 3.38 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 13 V 7.99 3.46 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 1.14 0.00 0.00 0.90 0.00 0.00 14 A 8.75 3.98 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 15 E 8.25 3.97 0.00 2.31 2.05 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 2.45 2.50 0.00 16 L 8.22 4.06 0.00 1.80 1.77 1.08 0.37 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 17 N 8.50 4.56 0.00 3.01 2.84 0.00 0.00 7.23 6.66 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 18 N 7.81 4.74 0.00 2.98 2.85 0.00 0.00 6.85 7.54 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 19 L 8.02 4.66 0.00 1.81 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.33 4.20 0.00 1.67 1.63 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.78 4.63 0.00 1.85 1.86 0.00 3.32 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 23 E 8.62 4.66 0.00 2.00 1.86 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 2.31 2.36 0.00 24 V 9.06 4.90 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 0.81 0.00 0.00 0.96 0.00 0.00 25 Q 9.05 5.05 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 26 V 9.12 4.75 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 1.07 0.00 0.00 0.98 0.00 0.00 27 V 8.54 4.55 1.74 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 0.96 0.00 0.00 0.86 0.00 0.00 28 L 8.88 5.43 0.00 1.89 1.73 1.09 0.76 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 29 S 9.13 4.42 0.00 4.06 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 30 N 8.25 4.71 0.00 2.85 2.93 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 31 G 8.22 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 0.00 0.00 0.00 32 E 8.36 4.26 0.00 2.19 1.87 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 2.34 2.43 0.00 33 V 8.00 4.78 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 1.01 0.00 0.00 0.92 0.00 0.00 34 Y 9.05 5.04 0.00 3.01 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 35 K 8.63 4.98 0.00 1.80 1.62 0.00 1.67 0.00 0.00 1.99 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.50 7.81 36 G 8.29 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.95 4.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 38 L 8.84 4.30 0.00 1.84 1.80 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.24 4.55 0.00 3.09 3.32 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.58 4.81 1.24 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 41 V 8.32 5.03 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 0.83 0.00 0.00 1.00 0.00 0.00 42 D 8.28 5.13 0.00 2.82 2.85 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 0.00 0.00 0.00 43 N 8.62 4.35 0.00 2.68 2.86 0.00 0.00 6.82 7.69 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 44 Q 8.00 3.88 0.00 2.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 45 L 7.74 3.78 0.00 1.75 1.90 1.00 0.68 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 46 N 8.58 4.89 0.00 3.04 2.86 0.00 0.00 6.81 7.75 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 47 I 8.74 4.87 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 1.38 1.02 0.94 0.00 0.00 48 V 9.01 4.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.10 0.00 0.00 49 L 8.73 5.23 0.00 1.54 1.52 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.07 4.91 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 51 N 8.56 4.31 0.00 2.82 2.81 0.00 0.00 6.52 7.55 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 52 A 7.90 5.19 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 53 S 9.37 5.88 0.00 3.82 3.63 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 54 N 8.09 5.42 0.00 2.39 1.59 0.00 0.00 6.75 6.73 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 55 K 8.40 3.89 0.00 1.69 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.88 4.07 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 57 G 8.13 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 58 E 8.27 4.05 0.00 2.14 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 0.00 2.32 2.26 0.00 59 K 8.05 5.04 0.00 1.58 1.46 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.57 7.81 60 F 8.81 4.92 0.00 3.07 2.86 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 61 N 9.04 4.59 0.00 2.80 2.87 0.00 0.00 7.44 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 62 R 7.82 4.95 0.00 1.57 0.98 0.00 3.02 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.45 0.00 63 V 8.29 4.06 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 0.48 0.00 0.00 0.84 0.00 0.00 64 F 8.84 4.75 0.00 2.87 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 65 I 8.62 4.42 1.98 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 1.13 0.90 0.96 0.00 0.00 *67 Y 8.50 4.76 0.00 3.32 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 68 R 6.99 3.61 0.00 1.28 1.31 0.00 2.92 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.00 69 Y 7.76 4.38 0.00 3.12 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 70 I 7.61 4.36 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 1.01 0.00 0.00 71 V 8.84 4.15 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 0.87 0.00 0.00 1.00 0.00 0.00 72 H 7.69 4.97 0.00 3.19 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.22 5.06 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.94 0.00 0.00 74 D 9.34 5.10 0.00 2.50 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 75 S 8.75 4.50 0.00 3.98 3.85 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 0.00 0.00 0.00 76 T 8.36 4.44 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 1.27 0.00 0.00 77 E 7.90 4.50 0.00 2.00 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 2.28 2.34 0.00 78 R 8.17 4.34 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 79 R 8.17 4.15 0.00 1.80 1.87 0.00 3.61 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 80 I 7.87 3.73 1.56 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.36 0.35 0.00 0.00 81 D 8.25 4.52 0.00 2.74 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 *83 R 8.35 3.70 0.00 1.85 1.69 0.00 2.99 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 84 E 8.36 4.00 0.00 2.29 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 2.36 2.59 0.00 85 F 8.21 3.72 0.00 2.55 2.82 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 86 A 8.04 4.11 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 87 K 8.11 4.07 0.00 1.97 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 88 Q 8.13 4.03 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.84 0.00 89 A 8.03 3.91 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 90 E 8.09 3.98 0.00 2.26 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 2.36 2.53 0.00 91 K 7.43 3.99 0.00 1.81 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.63 7.81 92 I 7.42 3.75 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.42 -0.27 0.00 0.00 93 F 8.29 5.01 0.00 2.86 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 94 P 0.00 4.21 0.00 2.07 2.02 0.00 3.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.36 0.00 95 G 9.10 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 4.18 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 0.94 0.00 0.00 1.04 0.00 0.00 98 K 9.02 4.66 0.00 1.65 1.65 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 99 Y 8.74 4.78 0.00 3.14 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 0.00 100 I 8.57 4.18 1.72 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 0.99 1.17 0.81 0.00 0.00 101 E 8.33 3.63 0.00 2.13 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 0.00 2.42 2.47 0.00 102 E 8.18 3.90 0.00 1.90 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 0.00 2.26 2.29 0.00 103 T 7.25 4.46 4.19 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 1.17 0.00 0.00 104 N 7.58 4.38 0.00 2.87 2.94 0.00 0.00 6.88 7.58 0.00 0.00 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 V 7.27 4.64 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 0.91 0.00 0.00 0.91 0.00 0.00 106 V 8.74 5.08 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 1.28 0.00 0.00 1.23 0.00 0.00 107 L 9.16 5.06 0.00 1.57 1.52 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.32 4.34 1.63 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.97 0.10 0.00 0.00 109 G 8.86 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 0.00 110 D 8.72 4.88 0.00 2.60 2.64 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 0.00 111 K 8.00 4.56 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.36 7.81 112 V 7.46 4.68 2.14 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 0.92 0.00 0.00 0.90 0.00 0.00 113 R 8.90 4.98 0.00 1.85 1.65 0.00 3.05 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 114 V 9.01 4.84 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 0.69 0.00 0.00 1.03 0.00 0.00 115 S 8.54 5.12 0.00 3.87 3.90 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 0.00 116 E 9.01 4.28 0.00 2.12 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 0.00 2.29 2.32 0.00 117 I 8.75 4.34 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 1.19 0.65 0.92 0.00 0.00 118 G 6.35 3.46 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 0.00 119 V 7.35 4.58 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 0.86 0.00 0.00 0.84 0.00 0.00 120 E 9.24 4.53 0.00 2.12 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 2.17 2.15 0.00 121 G 8.33 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 0.00 0.00 0.00 0.00 122 V 8.11 4.36 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 0.78 0.00 0.00 0.93 0.00 0.00 123 G 8.82 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 0.00 124 P 0.00 4.31 0.00 2.22 2.18 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 125 V 7.82 3.80 2.06 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 0.81 0.00 0.00 1.00 0.00 0.00 126 A 7.99 4.00 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 0.00 127 E 8.77 3.94 0.00 2.00 2.06 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 2.58 2.49 0.00 128 R 8.57 4.05 0.00 2.08 2.40 0.00 3.16 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 129 A 8.53 4.36 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 0.00 0.00 0.00 0.00 0.00 130 K 8.51 4.07 0.00 2.04 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.76 7.81 131 R 8.10 4.23 0.00 2.14 2.07 0.00 3.22 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 132 L 8.21 4.16 0.00 2.09 2.12 0.26 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.97 4.26 0.00 3.44 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 0.00 134 E 8.83 4.22 0.00 2.29 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 0.00 2.47 2.58 0.00 135 E 8.45 4.16 0.00 2.28 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 2.57 2.52 0.00 136 F 8.39 3.97 0.00 3.12 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 0.00 137 L 7.80 4.30 0.00 1.92 1.82 1.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.42 4.32 0.00 1.86 1.84 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.72 7.81 139 R 7.68 4.23 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.