NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.5323 7.9548 120.3982 62.7094 32.6671 174.3939 3 W 5.1151 8.4601 126.1378 54.4785 33.2511 172.0611 4 A 4.9215 9.5322 123.0620 50.3968 21.7670 175.4984 5 I 4.5901 8.1619 121.5227 59.5041 39.9516 175.3033 6 R 4.7239 8.7390 123.8961 54.8816 32.2309 175.6018 7 G 4.3615 9.1521 109.4026 44.5282 0.0000 171.2509 8 A 5.2702 8.3925 121.9587 50.8512 23.1714 175.0947 9 T 5.1802 8.9453 114.1773 61.4090 71.5720 172.2473 10 T 5.2695 8.4362 113.7985 59.9496 71.8373 173.2954 11 V 4.6138 8.3489 115.4219 59.5886 34.4888 176.3331 12 S 4.3004 8.6526 118.6050 61.2826 63.4380 175.1409 *13 D 4.8489 7.5441 116.7626 51.0049 43.7448 178.2776 14 N 4.8094 8.5352 120.0528 53.5453 36.8089 174.5761 15 T 4.7403 7.4032 111.3216 58.6011 74.0124 174.7340 16 A 4.0324 8.4784 123.8351 55.3619 18.4662 180.0497 17 D 4.2831 7.9640 117.1135 57.4763 40.9484 178.6624 18 E 3.9456 7.7569 117.9430 59.4338 29.6399 179.2518 19 I 3.6636 7.7062 119.8030 64.5519 37.2274 178.7470 20 V 3.5338 7.7007 118.3293 65.8600 31.4203 178.0024 21 A 3.9671 8.0493 120.5389 55.3023 18.3857 179.5594 22 E 3.9968 8.4865 117.3030 59.6347 29.3977 179.7578 23 T 3.9764 7.8865 115.8809 66.4613 68.4284 176.5735 24 Q 3.8974 8.3234 124.0269 59.7174 29.0329 179.0683 25 K 3.9566 8.0952 124.7361 59.5551 31.4705 180.6236 26 L 4.1325 7.5714 120.1061 58.1122 42.1585 178.7670 27 L 4.2615 7.8997 117.6793 57.5923 41.8256 179.2023 28 K 4.1455 8.1957 119.6031 59.4579 32.1715 178.8872 29 E 4.2715 8.3976 118.7838 56.4515 30.0634 178.0862 *31 A 4.3451 7.9500 121.8319 51.9551 20.4771 179.5610 32 E 3.9860 8.6743 115.6312 59.6420 29.6773 179.7722 33 K 4.0730 8.0494 117.2572 58.8390 32.2050 177.7729 34 N 4.7857 8.2116 113.7242 51.9041 39.0872 174.4805 35 G 4.0273 7.8941 106.1797 46.6183 0.0000 173.7967 36 L 4.7861 8.2169 117.6446 52.7717 43.8876 176.4272 37 E 4.7497 9.2624 121.3548 53.9325 32.6639 176.6541 38 E 3.2750 8.6034 120.5208 59.4045 29.5799 178.6627 39 D 4.3754 8.0902 117.2043 57.3042 41.1107 177.3402 40 D 4.4569 8.2828 118.2374 55.4197 41.3553 176.0017 41 I 4.2676 7.0365 120.8168 60.4478 37.9088 175.5718 42 I 4.1590 8.7956 127.7437 63.6988 37.4540 176.3499 43 S 4.8738 7.6001 112.5427 57.4015 66.0666 173.7640 44 I 4.4356 8.8195 121.4730 59.7876 40.7386 174.2555 45 I 4.7227 8.1773 127.8925 59.5730 39.6551 174.6091 46 F 5.3022 8.9736 125.3675 55.9110 41.9600 174.6471 47 T 5.0243 8.9620 111.8871 60.0542 72.2665 173.1563 48 V 5.0813 8.1077 115.3169 59.5076 36.0393 175.3141 49 T 4.2733 8.2769 113.1875 61.2852 69.5295 175.1964 50 K 3.7483 8.9202 124.2135 59.8191 32.0857 177.4417 51 D 4.4946 8.0692 115.5034 54.3317 39.6567 175.5513 52 L 4.8781 8.0429 121.6727 53.3197 42.9887 175.9091 53 D 4.6664 9.2380 120.3015 52.7872 41.2360 176.2829 54 A 4.0581 8.2744 123.0634 55.0110 18.7056 177.1212 55 A 4.5445 7.2667 115.7215 51.2624 22.1512 175.5510 56 F 4.1583 8.7879 118.7591 56.5818 39.4294 175.5067 57 P 4.1414 0.0000 0.0000 65.1381 30.5749 178.3083 58 A 3.3588 7.4661 119.0815 54.6722 18.0339 179.3351 59 I 3.5988 7.6371 118.3440 64.3139 36.8298 178.1675 60 A 3.8789 7.7521 120.7445 55.2173 18.4467 179.2477 61 A 3.8459 7.9004 118.6849 55.1266 18.3239 179.7151 62 R 3.9348 7.5085 115.8250 59.4342 30.2088 178.9091 63 N 4.3333 8.0311 113.8342 53.8850 39.0948 175.7811 *65 G 3.9314 7.8303 106.7244 45.1215 0.0000 174.9422 66 W 5.1059 8.3342 122.6675 55.5464 27.2901 176.2840 67 T 4.5132 7.9229 106.7069 61.6078 69.3657 176.2208 68 S 4.7767 8.9105 117.7749 58.5553 63.4993 173.5484 69 T 4.5425 7.7092 116.2510 61.2215 70.9772 173.6464 70 A 4.2010 8.5564 127.5871 52.3089 19.4678 176.4773 71 L 6.1524 8.2710 122.2878 52.3343 45.4460 175.3913 *73 C 5.1979 8.3267 115.6384 60.3909 29.2130 173.5979 *75 N 4.6990 8.4937 116.9999 52.9160 39.4007 174.1860 76 E 4.1538 9.1180 122.7960 55.6903 30.6691 176.4185 77 I 3.4472 8.4208 123.6426 61.7017 38.2549 174.8200 78 D 4.4357 8.5889 127.0132 53.5748 40.8439 175.9957 79 V 4.2106 8.0029 126.7304 60.0070 32.9322 172.5684 80 P 4.4480 0.0000 0.0000 64.1482 31.3897 177.1020 81 G 4.0164 9.0076 111.7251 45.1621 0.0000 173.4773 82 S 4.3618 7.5852 114.2083 56.9977 63.8834 173.6813 83 L 3.8894 8.3474 122.4648 55.6940 41.8704 176.4529 84 E 4.4356 8.6222 125.2188 55.4915 31.2456 175.1549 85 K 3.8269 8.6887 115.5306 57.8060 30.4100 174.3453 86 C 5.2163 8.1617 118.6889 57.8005 33.8600 172.1651 87 I 4.8646 8.7752 127.6952 59.9547 38.7902 174.9761 88 R 5.0842 8.9373 126.1073 54.5993 33.5164 175.2621 89 V 5.1151 8.4396 120.8168 60.3263 36.2375 173.4131 *92 H 4.9706 8.4829 117.1406 55.8528 30.2870 173.3851 93 V 4.8555 8.7419 114.9797 59.7822 36.5449 173.9662 94 N 5.0888 9.1404 120.9628 52.2696 39.3372 174.7905 95 T 4.6539 8.3355 117.1871 60.8673 70.5266 172.7953 96 D 4.7652 8.5125 123.7473 53.2211 40.2913 176.9551 97 K 4.2903 7.7736 119.8892 56.2456 32.9281 176.5319 98 D 4.6939 8.4774 120.6868 53.5300 42.0358 177.3993 99 K 2.7457 8.0159 122.6995 59.4921 31.5449 179.1202 100 K 3.9176 7.6524 116.3042 59.4706 32.4641 177.7946 101 D 4.5014 7.8339 119.1256 54.6412 41.5110 177.0550 102 I 3.7012 6.7573 119.9561 61.5637 37.5287 175.5054 103 K 4.3809 9.0425 124.9202 54.9856 32.6383 175.9790 104 H 4.7426 8.4923 121.4418 55.3714 30.1380 175.1131 105 V 4.4461 8.3843 121.1786 61.2950 34.2538 173.8038 106 Y 5.0089 8.8084 124.7259 56.3490 40.5071 174.7835 107 L 4.7820 9.0493 124.2272 52.8110 45.8027 177.4039 108 N 3.9506 9.0093 117.3633 54.2007 37.1432 177.5019 109 G 3.7668 9.1877 108.5140 48.3423 0.0000 174.3550 110 A 4.2461 8.0851 122.4074 53.9836 18.1524 179.3331 111 K 3.9207 7.8846 116.8673 59.5684 32.1538 179.0410 112 V 3.6921 7.3883 117.3106 65.3829 31.4200 175.7572 113 L 4.1382 7.8169 122.7863 54.9198 41.5395 176.4752 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 V 7.95 4.53 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 1.28 0.00 0.00 0.85 0.00 0.00 3 W 8.46 5.12 0.00 3.48 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 4 A 9.53 4.92 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 5 I 8.16 4.59 1.86 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 1.42 0.72 0.92 0.00 0.00 6 R 8.74 4.72 0.00 1.60 1.70 0.00 3.39 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 7 G 9.15 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 8 A 8.39 5.27 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 9 T 8.95 5.18 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 1.27 0.00 0.00 10 T 8.44 5.27 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 11 V 8.35 4.61 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 0.75 0.00 0.00 0.99 0.00 0.00 12 S 8.65 4.30 0.00 4.02 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 *13 D 7.54 4.85 0.00 2.65 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.81 0.00 2.75 2.78 0.00 0.00 6.79 7.70 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 15 T 7.40 4.74 4.24 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 1.21 0.00 0.00 16 A 8.48 4.03 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 17 D 7.96 4.28 0.00 2.69 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 18 E 7.76 3.95 0.00 2.15 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 0.00 2.32 2.49 0.00 19 I 7.71 3.66 1.92 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 1.39 1.21 0.88 0.00 0.00 20 V 7.70 3.53 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 0.96 0.00 0.00 0.92 0.00 0.00 21 A 8.05 3.97 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 22 E 8.49 4.00 0.00 2.09 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 2.46 2.49 0.00 23 T 7.89 3.98 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 1.43 0.00 0.00 24 Q 8.32 3.90 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 25 K 8.10 3.96 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 L 7.57 4.13 0.00 1.74 1.96 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.90 4.26 0.00 1.65 1.71 1.04 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.20 4.15 0.00 1.86 1.99 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.67 7.81 29 E 8.40 4.27 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 *31 A 7.95 4.35 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 0.00 0.00 0.00 0.00 0.00 32 E 8.67 3.99 0.00 2.17 2.03 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 2.37 2.48 0.00 33 K 8.05 4.07 0.00 1.78 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.73 7.81 34 N 8.21 4.79 0.00 2.69 2.81 0.00 0.00 6.95 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 35 G 7.89 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 36 L 8.22 4.79 0.00 1.57 1.50 0.89 0.77 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 37 E 9.26 4.75 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 38 E 8.60 3.28 0.00 1.68 1.85 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 2.12 1.80 0.00 39 D 8.09 4.38 0.00 2.65 2.70 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 0.00 0.00 0.00 40 D 8.28 4.46 0.00 2.66 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 41 I 7.04 4.27 1.52 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.26 0.75 0.00 0.00 42 I 8.80 4.16 1.98 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 1.24 0.44 0.87 0.00 0.00 43 S 7.60 4.87 0.00 3.83 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 44 I 8.82 4.44 1.91 0.00 0.00 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 1.19 1.19 0.29 0.00 0.00 45 I 8.18 4.72 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.93 0.00 0.00 46 F 8.97 5.30 0.00 2.94 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 47 T 8.96 5.02 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 V 8.11 5.08 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 0.82 0.00 0.00 0.91 0.00 0.00 49 T 8.28 4.27 4.24 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 1.31 0.00 0.00 50 K 8.92 3.75 0.00 1.73 1.91 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 51 D 8.07 4.49 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.04 4.88 0.00 1.59 1.60 0.89 1.07 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 53 D 9.24 4.67 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.27 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.27 4.54 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 56 F 8.79 4.16 0.00 2.91 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 57 P 0.00 4.14 0.00 1.65 2.02 0.00 3.41 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 2.09 2.09 0.00 58 A 7.47 3.36 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 59 I 7.64 3.60 1.91 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 1.39 0.64 0.91 0.00 0.00 60 A 7.75 3.88 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 61 A 7.90 3.85 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.51 3.93 0.00 1.84 2.06 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 63 N 8.03 4.33 0.00 2.78 2.77 0.00 0.00 7.00 7.44 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 *65 G 7.83 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 66 W 8.33 5.11 0.00 3.51 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 67 T 7.92 4.51 4.28 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 1.26 0.00 0.00 68 S 8.91 4.78 0.00 3.93 3.87 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 69 T 7.71 4.54 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 1.20 0.00 0.00 70 A 8.56 4.20 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 71 L 8.27 6.15 0.00 1.67 1.94 1.07 1.35 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 *73 C 8.33 5.20 0.00 2.80 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 *75 N 8.49 4.70 0.00 2.60 2.78 0.00 0.00 6.90 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 76 E 9.12 4.15 0.00 1.93 1.85 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 2.33 2.31 0.00 77 I 8.42 3.45 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 0.93 0.92 0.00 0.00 78 D 8.59 4.44 0.00 2.66 2.59 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 0.00 0.00 0.00 0.00 79 V 8.00 4.21 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 0.99 0.00 0.00 0.93 0.00 0.00 80 P 0.00 4.45 0.00 2.08 2.00 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 81 G 9.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.59 4.36 0.00 4.02 3.91 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 83 L 8.35 3.89 0.00 1.62 1.66 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.62 4.44 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 85 K 8.69 3.83 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.50 7.81 86 C 8.16 5.22 0.00 3.01 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 87 I 8.78 4.86 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 1.08 0.00 0.00 88 R 8.94 5.08 0.00 1.75 1.79 0.00 3.29 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 89 V 8.44 5.12 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 0.99 0.00 0.00 0.94 0.00 0.00 *92 H 8.48 4.97 0.00 3.19 3.25 0.00 5.81 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 93 V 8.74 4.86 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 0.81 0.00 0.00 1.01 0.00 0.00 94 N 9.14 5.09 0.00 2.50 2.71 0.00 0.00 6.65 7.63 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 95 T 8.34 4.65 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 1.40 0.00 0.00 96 D 8.51 4.77 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.77 4.29 0.00 1.84 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.56 7.81 98 D 8.48 4.69 0.00 2.86 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 2.75 0.00 0.79 1.12 0.00 0.99 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.00 0.45 7.81 100 K 7.65 3.92 0.00 1.86 1.82 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.46 7.81 101 D 7.83 4.50 0.00 2.73 2.72 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 0.00 102 I 6.76 3.70 1.76 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.80 0.00 0.00 103 K 9.04 4.38 0.00 1.92 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.25 7.81 104 H 8.49 4.74 0.00 3.25 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.38 4.45 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 0.97 0.00 0.00 0.93 0.00 0.00 106 Y 8.81 5.01 0.00 2.89 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 0.00 107 L 9.05 4.78 0.00 1.53 1.54 0.93 0.56 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 0.00 108 N 9.01 3.95 0.00 2.97 2.62 0.00 0.00 6.71 7.61 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 0.00 109 G 9.19 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.09 4.25 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 0.00 111 K 7.88 3.92 0.00 1.89 1.93 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.62 7.81 112 V 7.39 3.69 2.20 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 0.82 0.00 0.00 0.97 0.00 0.00 113 L 7.82 4.14 0.00 1.81 1.59 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.