NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4250 8.2027 121.9899 56.0812 30.9254 173.2172 3 V 4.7069 8.3614 122.4379 60.7311 34.6165 173.2753 4 R 4.7886 9.8723 125.9495 54.5102 34.6979 173.7311 5 Q 5.1830 8.8979 121.5700 53.3414 30.9618 175.4992 6 S 3.9376 9.2367 119.9540 61.3003 62.9527 173.6594 7 P 3.6201 0.0000 0.0000 61.9249 31.2353 173.7741 8 Q 3.0455 9.4528 129.3683 55.8222 28.3203 169.8607 9 S 3.9246 9.2989 126.7342 58.0151 62.8145 170.6152 10 L 4.4579 8.2391 124.0142 54.5177 45.8946 173.2769 11 T 5.6101 8.5026 121.0445 61.0748 71.7572 173.1818 12 V 4.5224 7.9333 123.2221 61.5033 36.0914 173.1591 13 W 5.2335 8.7363 122.0985 53.8003 31.5220 175.8988 14 E 4.2006 9.0485 121.1184 58.4457 29.4564 177.2611 15 G 4.1834 9.7751 113.5960 45.9528 0.0000 175.1288 16 E 3.8188 7.9170 117.0582 56.8269 29.9137 177.0509 17 T 3.4331 8.5510 115.0797 64.4937 66.0479 171.9058 18 T 4.1517 8.6150 121.9995 63.3699 70.1796 173.7368 19 I 4.7871 8.2076 123.9708 59.8420 40.3621 174.8331 20 L 4.7572 8.8717 128.5007 53.0667 43.8195 175.7948 21 N 5.4566 8.8420 121.5660 52.4753 40.9324 174.7846 22 C 5.4528 9.8490 121.6089 55.4300 48.3900 172.7831 23 S 5.3455 9.2217 118.4158 57.6666 66.6749 172.1677 24 Y 5.2384 8.2816 118.2595 56.7497 41.3489 175.4053 25 E 4.4895 7.7059 117.5270 54.6909 31.7522 173.8894 26 D 4.5528 7.9622 118.2335 54.0204 44.0898 176.1581 27 S 4.9789 8.3744 120.7304 59.2702 64.0333 175.9085 28 T 4.0824 8.1847 117.3458 65.3250 68.4410 173.8942 29 F 4.6823 8.1631 120.6562 56.9633 40.1757 175.2767 30 D 5.0037 8.3545 118.9831 53.6628 44.6167 173.9431 31 Y 4.7038 7.2241 121.0437 55.6982 42.2972 174.0474 32 F 5.1956 9.2466 124.7908 54.0095 41.8077 172.2522 33 P 5.3224 0.0000 0.0000 61.1258 33.6924 174.3465 34 W 5.4385 10.1315 120.4328 55.3595 32.8959 174.0249 35 Y 5.5922 9.9564 122.5782 55.4588 40.2575 174.7415 36 R 4.4168 8.4937 121.2450 54.5955 32.0730 174.9264 37 Q 4.5295 8.1880 123.5439 54.0608 31.7096 174.7520 38 F 5.0724 8.5387 125.5302 56.1602 40.7281 173.2670 39 P 4.3464 0.0000 0.0000 64.7888 30.9590 176.1935 40 G 3.9301 9.0568 109.6583 45.9585 0.0000 172.3188 41 K 4.7250 7.9802 118.1962 54.2332 35.6281 175.4933 42 S 4.8017 8.2922 115.2887 57.1782 64.1196 172.9602 43 P 4.8364 0.0000 0.0000 62.8094 32.6062 175.2607 44 A 4.8665 8.6555 121.6865 49.7830 22.9592 175.3660 45 L 2.6620 8.4689 122.8902 55.6435 41.9907 175.5389 46 L 4.4161 9.6221 127.3432 56.3341 43.4133 176.3581 47 I 4.6873 7.3780 117.0433 60.0861 41.6357 173.4774 48 A 4.8577 8.3521 125.3600 50.7404 22.4688 175.1608 49 I 4.6825 8.5342 119.7056 59.6447 42.3217 174.3965 50 S 5.0967 8.0421 117.0547 56.7115 65.9547 174.9090 51 L 3.8629 8.7070 123.0120 58.7166 41.2605 178.9147 52 V 3.4601 8.1802 115.8072 66.0614 31.6684 176.4596 53 S 4.7173 7.8479 114.0578 57.4069 63.9954 173.1405 54 N 5.4523 8.1783 116.1519 51.8138 38.7796 173.3613 55 K 5.0771 8.1966 116.3007 56.9903 36.1816 174.4298 56 K 4.5170 7.9858 127.3776 55.1048 35.4385 174.4488 57 E 4.9750 8.4480 126.5307 55.0840 32.2134 175.0506 58 D 4.1005 9.0813 116.8682 54.4293 45.5920 175.5625 59 G 4.0667 8.5777 116.4485 47.0134 0.0000 174.4491 *61 R 4.6377 8.2387 120.0351 55.7898 32.1645 175.4012 62 F 5.3830 8.4028 119.1432 57.0241 41.0856 175.0920 63 T 5.2224 7.9586 115.8388 63.6369 73.1488 172.3032 64 I 4.5102 7.9671 126.7486 59.7097 39.9261 174.6054 65 F 4.9212 9.3178 125.2871 55.8929 41.5347 173.8694 66 F 5.1180 8.7981 126.9614 56.3348 41.2279 174.3291 67 N 4.3792 8.1341 125.6800 52.5124 40.3706 174.8309 68 K 3.2282 8.6082 124.2953 59.4367 31.0983 178.8636 69 R 4.4462 8.8783 112.8572 55.6872 28.1408 175.3920 70 E 4.5369 10.4428 116.9661 55.4365 36.5968 175.4497 71 K 3.5933 7.0643 117.2474 57.4590 30.4951 174.2807 72 K 5.1380 7.5009 115.9601 54.6088 35.5457 176.1958 73 L 5.5654 9.7447 126.5419 53.8677 46.3952 174.8996 74 S 5.3014 9.1223 116.1525 57.1210 66.9309 172.4929 75 L 4.6953 9.0455 123.7895 53.4201 44.7748 174.5980 76 H 5.3848 9.3014 123.2591 54.1537 31.7925 172.8807 77 I 4.1576 8.1985 124.5954 59.9408 38.4932 175.4993 78 T 4.3704 8.5377 124.7753 62.3270 70.6489 174.5671 79 D 4.1888 8.5454 119.7445 55.3555 39.9227 172.7944 80 S 4.0803 7.2149 113.4004 58.2284 62.2552 174.0315 81 Q 4.7788 8.5277 124.7762 53.3722 30.2913 173.8628 82 P 4.8435 0.0000 0.0000 63.5700 31.7532 176.6234 83 G 4.0690 9.1742 109.9367 45.8220 0.0000 174.7637 84 D 4.7229 8.0125 117.8732 55.2887 41.3090 177.0496 85 S 4.5106 7.7288 116.4831 58.9764 63.9341 173.7557 86 A 4.5073 8.0209 124.5182 52.5348 25.3714 175.7393 87 T 4.5773 7.9650 110.2945 62.1843 71.3185 172.4600 88 Y 4.6245 9.0333 124.8532 57.7474 39.2803 174.6133 89 F 5.0566 9.8471 124.2128 55.9185 41.7908 174.0262 90 C 3.7201 8.5341 123.2287 54.5052 42.1851 172.4721 91 A 4.7971 8.0231 128.1575 50.2152 22.3580 174.4943 92 A 4.2847 7.8567 115.7638 52.2603 23.3759 176.1622 93 T 3.4362 7.8584 116.7157 62.0400 73.8197 173.8284 *99 G 4.3295 8.0608 107.7712 46.2597 0.0000 173.7894 100 S 4.2948 7.3898 109.0440 57.3851 66.3104 171.4275 101 F 3.3239 8.4621 129.4401 58.2608 36.6430 175.1642 102 N 4.3109 8.3383 125.5443 53.7940 39.0840 174.4026 103 K 4.2278 7.6538 118.8026 55.8574 32.9250 175.6226 104 L 5.2040 8.0532 124.0553 52.1888 45.3448 176.5353 105 T 4.5094 7.8201 116.3776 61.7498 70.7307 173.4372 106 F 4.2160 8.8515 124.9080 56.9515 40.1642 177.0251 107 G 3.8950 8.4441 110.6047 45.2021 0.0000 173.2130 108 A 4.2847 8.6826 121.0757 51.6464 19.1210 174.1847 109 G 3.3061 8.0367 112.9948 44.6935 0.0000 173.1709 110 T 4.6016 8.2375 120.2413 61.8466 71.2346 173.8772 111 R 4.8106 8.5637 124.7574 55.3863 32.0116 175.0708 112 L 5.2607 8.8216 125.5913 53.3386 45.5450 175.3148 113 A 4.4853 8.7902 125.9355 50.5560 21.8015 175.7581 114 V 4.0827 8.5088 123.8280 62.5615 32.2230 174.5174 115 S 4.7592 8.4633 124.3237 56.7913 64.4765 172.7630 116 P 4.9251 0.0000 0.0000 61.0809 33.8290 175.2025 117 Y 3.9999 8.9781 118.7751 58.5715 39.2655 170.0330 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 2 Q 8.20 4.42 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 3 V 8.36 4.71 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 0.96 0.00 0.00 1.00 0.00 0.00 4 R 9.87 4.79 0.00 1.76 1.77 0.00 3.13 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 5 Q 8.90 5.18 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 6 S 9.24 3.94 0.00 3.91 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 7 P 0.00 3.62 0.00 2.24 2.17 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 8 Q 9.45 3.05 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 5.88 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 9 S 9.30 3.92 0.00 4.06 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 10 L 8.24 4.46 0.00 1.72 1.57 0.92 0.46 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 11 T 8.50 5.61 4.10 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 1.03 0.00 0.00 12 V 7.93 4.52 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 1.08 0.00 0.00 0.92 0.00 0.00 13 W 8.74 5.23 0.00 3.49 2.99 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 14 E 9.05 4.20 0.00 2.10 2.02 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 2.38 2.44 0.00 15 G 9.78 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 16 E 7.92 3.82 0.00 2.36 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 2.40 2.38 0.00 17 T 8.55 3.43 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 1.14 0.00 0.00 18 T 8.61 4.15 4.11 0.00 0.00 0.00 0.00 0.00 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 19 I 8.21 4.79 1.91 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 1.35 0.70 1.01 0.00 0.00 20 L 8.87 4.76 0.00 1.56 1.81 0.75 0.82 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 N 8.84 5.46 0.00 2.72 2.80 0.00 0.00 6.47 7.66 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 22 C 9.85 5.45 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 9.22 5.35 0.00 4.03 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 24 Y 8.28 5.24 0.00 2.61 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 25 E 7.71 4.49 0.00 1.89 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 2.10 2.18 0.00 26 D 7.96 4.55 0.00 2.66 3.39 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 27 S 8.37 4.98 0.00 4.05 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 28 T 8.18 4.08 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 1.12 0.00 0.00 29 F 8.16 4.68 0.00 2.95 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 30 D 8.35 5.00 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.22 4.70 0.00 2.85 2.58 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 32 F 9.25 5.20 0.00 2.81 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 33 P 0.00 5.32 0.00 2.25 2.28 0.00 3.64 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 2.13 2.12 0.00 34 W 10.13 5.44 0.00 3.39 3.32 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 35 Y 9.96 5.59 0.00 3.05 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 36 R 8.49 4.42 0.00 0.88 1.57 0.00 2.21 0.00 0.00 2.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.24 0.00 37 Q 8.19 4.53 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 38 F 8.54 5.07 0.00 3.09 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 39 P 0.00 4.35 0.00 2.21 2.17 0.00 4.21 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 40 G 9.06 3.93 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 0.00 0.00 0.00 41 K 7.98 4.73 0.00 1.91 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.66 7.81 42 S 8.29 4.80 0.00 3.75 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 43 P 0.00 4.84 0.00 2.06 2.01 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 44 A 8.66 4.87 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 45 L 8.47 2.66 0.00 0.92 1.29 0.62 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.62 4.42 0.00 1.50 1.79 0.48 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.38 4.69 1.76 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 1.14 0.63 0.81 0.00 0.00 48 A 8.35 4.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.53 4.68 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.11 0.67 0.00 0.00 50 S 8.04 5.10 0.00 3.96 4.08 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 51 L 8.71 3.86 0.00 1.74 1.98 1.15 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.18 3.46 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 0.81 0.00 0.00 1.00 0.00 0.00 53 S 7.85 4.72 0.00 3.86 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 54 N 8.18 5.45 0.00 3.06 3.04 0.00 0.00 5.39 6.43 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 55 K 8.20 5.08 0.00 1.85 1.71 0.00 1.73 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 0.84 7.81 56 K 7.99 4.52 0.00 1.76 1.48 0.00 1.71 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.41 7.81 57 E 8.45 4.97 0.00 1.86 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 2.14 2.23 0.00 58 D 9.08 4.10 0.00 2.70 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 59 G 8.58 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 R 8.24 4.64 0.00 1.75 2.07 0.00 3.14 0.00 0.00 3.08 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.34 0.00 62 F 8.40 5.38 0.00 3.16 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.96 5.22 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 0.69 0.00 0.00 64 I 7.97 4.51 1.73 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.65 0.95 0.00 0.00 65 F 9.32 4.92 0.00 2.94 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 66 F 8.80 5.12 0.00 2.95 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 67 N 8.13 4.38 0.00 2.70 2.61 0.00 0.00 6.35 6.52 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 68 K 8.61 3.23 0.00 1.81 1.32 0.00 1.96 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.69 7.81 69 R 8.88 4.45 0.00 1.79 1.83 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 70 E 10.44 4.54 0.00 2.68 1.70 0.00 0.00 0.00 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 2.22 0.00 71 K 7.06 3.59 0.00 1.54 0.74 0.00 1.22 0.00 0.00 0.79 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.01 1.12 7.81 72 K 7.50 5.14 0.00 1.59 1.65 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 73 L 9.74 5.57 0.00 1.92 1.82 1.14 1.22 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 74 S 9.12 5.30 0.00 3.90 4.08 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 75 L 9.05 4.70 0.00 0.27 0.50 0.56 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.30 5.38 0.00 3.15 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.20 4.16 1.66 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.49 0.53 0.00 0.00 78 T 8.54 4.37 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 1.16 0.00 0.00 79 D 8.55 4.19 0.00 2.71 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 80 S 7.21 4.08 0.00 3.91 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 81 Q 8.53 4.78 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 82 P 0.00 4.84 0.00 2.19 2.21 0.00 3.37 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 83 G 9.17 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.01 4.72 0.00 3.08 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.73 4.51 0.00 3.80 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 0.00 86 A 8.02 4.51 0.92 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 0.00 0.00 87 T 7.97 4.58 4.15 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 0.91 0.00 0.00 88 Y 9.03 4.62 0.00 3.21 3.39 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 89 F 9.85 5.06 0.00 3.44 3.21 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 90 C 8.53 3.72 0.00 1.23 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 0.00 0.00 0.00 0.00 91 A 8.02 4.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.86 4.28 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 93 T 7.86 3.44 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 1.00 0.00 0.00 *99 G 8.06 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 0.00 100 S 7.39 4.29 0.00 3.75 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 0.00 101 F 8.46 3.32 0.00 3.20 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 0.00 102 N 8.34 4.31 0.00 2.57 2.93 0.00 0.00 7.19 6.68 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 0.00 103 K 7.65 4.23 0.00 1.75 1.64 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.32 7.81 104 L 8.05 5.20 0.00 1.31 0.75 0.71 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 0.00 105 T 7.82 4.51 4.55 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 1.33 0.00 0.00 106 F 8.85 4.22 0.00 2.76 2.92 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 0.00 107 G 8.44 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 0.00 0.00 0.00 108 A 8.68 4.28 1.33 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 0.00 109 G 8.04 3.31 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 0.00 110 T 8.24 4.60 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 1.33 0.00 0.00 111 R 8.56 4.81 0.00 1.78 1.87 0.00 3.09 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 112 L 8.82 5.26 0.00 1.83 1.67 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.79 4.49 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 0.00 114 V 8.51 4.08 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 1.05 0.00 0.00 0.97 0.00 0.00 115 S 8.46 4.76 0.00 3.71 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 0.00 116 P 0.00 4.93 0.00 2.28 2.25 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 117 Y 8.98 4.00 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.