NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6576 8.4201 119.2047 53.4530 40.6993 174.5495 0 A 4.2711 8.3230 132.8046 51.3089 19.3790 175.4407 2 N 4.9188 9.3269 115.1607 52.2447 42.2882 174.1710 3 I 3.7973 8.3096 129.5985 64.3693 37.2846 178.1613 4 Q 3.4895 8.0634 119.7327 58.8834 28.9809 177.8218 5 A 3.9263 8.2761 121.7656 55.0440 18.4554 179.0109 6 L 3.8443 8.3141 119.1491 58.5294 42.0198 179.3213 7 L 3.8743 7.9521 118.6678 57.8302 41.4584 179.4217 8 S 4.0983 8.1595 115.3783 61.7158 62.7246 176.5357 9 E 3.8930 8.2798 121.6114 59.3393 29.3736 179.0530 10 K 4.1163 7.9944 118.4766 59.5237 32.0491 179.6334 11 V 3.5735 8.1790 118.9968 65.7910 31.3201 177.9679 12 S 4.0613 8.3861 113.3652 61.5573 62.1757 176.2733 13 Q 3.9390 8.4364 120.7898 58.8910 28.4431 178.5509 14 A 4.0126 8.2149 121.9390 55.0466 18.4039 179.7724 15 L 3.8965 8.1303 117.5621 57.9334 41.7617 179.5322 16 I 3.8841 8.2167 121.1297 63.8969 36.8917 178.1100 17 A 3.9982 8.0324 119.9868 55.0714 18.1729 178.7193 18 A 4.3380 7.5066 116.3633 51.9974 18.9754 177.7447 19 G 3.9626 8.0520 105.3764 45.0052 0.0000 174.5745 20 A 4.1833 8.2321 123.4784 50.7791 19.2765 176.0191 21 P 4.4499 0.0000 0.0000 62.5823 31.9685 177.8377 22 A 4.0591 8.5519 123.3999 54.6754 18.4872 178.1801 23 D 4.8558 7.8644 114.0786 53.0635 39.7898 176.4447 24 C 4.1976 7.7399 114.3776 58.9396 29.7553 172.8230 25 E 4.5337 8.4899 121.2855 54.1953 29.9923 175.4070 26 P 4.2318 0.0000 0.0000 63.6180 32.4591 176.1096 27 Q 3.4015 7.9875 117.6239 56.8473 25.9910 173.3818 28 V 4.4656 7.5454 116.3074 62.8792 32.8757 176.0164 29 R 4.9104 9.7284 126.1497 54.2015 35.0593 174.4945 30 Q 3.6666 8.7709 120.2651 56.4000 29.1064 176.8597 31 S 4.1481 8.3471 119.1730 58.2054 62.7590 173.9282 32 A 4.0700 8.3322 129.5688 55.3696 18.5986 178.5515 33 K 4.6387 7.8429 116.3494 52.1692 35.1935 179.0552 34 V 3.5953 8.4797 121.2581 66.1324 31.3315 178.4078 35 Q 4.0675 7.7645 115.3697 58.5027 28.4676 176.6315 36 F 4.8276 7.7554 116.4732 57.4571 39.4116 176.6308 37 G 2.7062 7.6856 107.9898 43.9743 0.0000 172.5422 38 D 4.5379 8.5667 117.0802 56.2570 42.5483 176.5113 39 Y 5.1320 7.7193 113.5285 56.2410 43.0444 174.1794 40 Q 5.0101 9.4952 121.5981 54.4309 33.0364 173.4841 41 A 5.0302 9.0618 128.0775 50.3615 20.9559 176.6264 42 N 5.1967 9.0073 119.6713 53.2046 39.7640 175.8822 43 G 3.9797 8.0266 106.5581 44.9392 0.0000 176.5473 44 V 3.6095 7.4518 117.8962 63.2972 31.2196 177.2823 *46 A 4.2912 8.0882 123.2412 51.6942 20.5768 180.1452 47 V 3.5482 7.7932 114.9593 66.2391 31.4270 178.1167 48 A 3.9167 8.1631 120.9214 54.4969 18.2467 178.5995 49 K 4.1623 7.9502 116.2617 58.0631 33.5933 178.3835 50 K 4.1269 7.8328 115.9637 58.3504 32.0948 177.6149 51 L 4.3509 7.5578 117.4545 53.6363 42.4259 175.8985 52 G 3.5305 7.4618 108.0909 45.9345 0.0000 172.8612 *54 A 4.0639 7.5140 121.6154 51.4160 20.7999 175.2546 55 P 4.1965 0.0000 0.0000 66.1300 31.3667 179.0814 56 R 3.9874 8.0484 119.8407 59.5216 30.0760 179.3074 57 Q 4.2348 7.9384 121.3939 59.6639 28.1120 180.4059 58 L 4.1360 7.9214 122.4961 57.9677 42.0931 178.9633 59 A 3.9834 8.1427 120.6046 55.1068 18.2082 179.5120 60 E 3.9335 8.1077 116.8452 59.5959 29.2963 179.5625 61 Q 4.0337 7.7049 116.6586 58.8520 29.1922 178.3713 62 V 3.8073 8.0478 119.5832 66.3681 31.6195 178.1430 63 L 4.0657 8.0028 118.6490 57.6853 41.1917 179.6271 64 S 4.1469 7.6801 113.1145 61.1678 62.9134 175.4836 65 H 4.7188 7.7472 117.8186 55.1954 29.0368 174.7098 66 L 4.2782 7.1956 123.1819 53.7463 42.3457 175.4699 67 D 4.7331 8.5555 126.1305 52.7601 41.4027 174.5608 68 L 4.5092 8.0520 123.7899 53.8467 42.2679 176.0995 69 N 4.2209 7.4402 115.5931 55.3843 38.6647 175.4868 70 G 4.0047 9.0867 111.3121 45.3659 0.0000 173.3924 71 I 3.1769 8.1176 118.8258 61.9028 38.8512 175.1542 72 A 5.0838 7.5411 121.2044 50.2169 20.8758 176.0460 73 N 4.6935 8.8088 119.7787 54.7571 38.4881 175.2785 74 K 4.6696 7.8606 119.6739 55.1586 36.0394 174.6228 75 V 5.1353 8.3723 124.9805 61.5134 34.2982 174.1190 76 E 4.9349 9.3456 126.7926 54.5975 33.5031 174.9758 77 I 4.8989 8.4092 122.7285 60.5476 38.6510 175.1407 78 A 4.6491 8.6809 127.3889 50.7238 22.7209 176.7890 79 G 3.9487 8.8430 107.9562 46.4127 0.0000 173.1238 80 P 4.8609 0.0000 0.0000 63.7172 31.7691 177.0285 81 G 4.0726 7.7900 105.2061 46.2438 0.0000 174.5106 82 F 4.3436 8.0423 119.0454 57.6165 40.2745 174.3692 83 I 4.8952 8.8220 123.8785 59.8995 39.3255 174.2536 84 N 5.1476 9.4888 126.0116 51.8966 40.6564 174.2762 85 I 4.7561 9.0005 125.1317 59.6876 40.0542 174.8333 86 F 5.0502 9.5786 127.9371 55.7718 39.9571 175.7647 87 L 4.7319 9.8636 125.8531 54.4513 42.7228 176.8004 88 D 4.6663 9.1680 123.4371 53.4136 41.6267 175.5505 89 P 4.3640 0.0000 0.0000 65.8634 31.3486 178.3926 90 A 4.0121 8.6523 121.0075 54.7634 18.3494 179.2394 91 F 4.1386 8.4659 118.8160 61.4250 39.5113 177.2634 92 L 3.6700 8.0802 118.2760 57.7635 41.4514 179.4182 93 A 3.9838 8.2371 120.9748 55.0045 18.1462 179.2330 94 D 4.1785 7.9479 116.7047 57.2271 41.3155 177.8695 95 N 4.0554 7.7663 117.6163 56.5551 38.8636 176.9082 96 V 3.5178 7.6450 119.4391 66.1837 31.2622 177.5973 97 N 4.2971 8.2211 116.1727 56.5630 38.1393 177.6071 98 R 3.9085 8.0688 118.4403 59.1806 30.2057 178.7210 99 A 4.1395 7.9548 119.7154 54.2465 18.4807 178.6337 100 L 4.7019 7.6759 117.3540 54.8254 42.7694 178.7952 101 Q 4.3007 7.7542 123.6533 57.8268 27.1064 182.0383 102 S 4.6238 8.1225 121.6301 58.3229 63.2917 175.6734 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 N 8.42 4.66 0.00 2.68 2.80 0.00 0.00 6.97 7.08 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 A 8.32 4.27 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 2 N 9.33 4.92 0.00 2.73 2.67 0.00 0.00 6.95 8.27 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 3 I 8.31 3.80 1.92 0.00 0.00 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 1.81 0.59 0.80 0.00 0.00 4 Q 8.06 3.49 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 5 A 8.28 3.93 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 6 L 8.31 3.84 0.00 1.78 1.81 0.91 0.64 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 7 L 7.95 3.87 0.00 1.61 1.56 0.44 1.08 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 8 S 8.16 4.10 0.00 3.97 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 9 E 8.28 3.89 0.00 2.12 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 2.38 0.00 10 K 7.99 4.12 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.53 7.81 11 V 8.18 3.57 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 1.07 0.00 0.00 0.94 0.00 0.00 12 S 8.39 4.06 0.00 3.93 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 13 Q 8.44 3.94 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 14 A 8.21 4.01 1.44 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 0.00 0.00 15 L 8.13 3.90 0.00 1.92 1.71 0.94 0.79 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 16 I 8.22 3.88 1.96 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 1.65 1.02 0.89 0.00 0.00 17 A 8.03 4.00 1.05 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 0.00 0.00 18 A 7.51 4.34 1.43 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 0.00 0.00 19 G 8.05 3.96 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 0.00 0.00 0.00 20 A 8.23 4.18 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 21 P 0.00 4.45 0.00 2.27 1.99 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 22 A 8.55 4.06 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 23 D 7.86 4.86 0.00 2.76 2.75 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 24 C 7.74 4.20 0.00 3.12 3.10 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 25 E 8.49 4.53 0.00 2.08 1.92 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 2.32 2.33 0.00 26 P 0.00 4.23 0.00 2.18 2.18 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 27 Q 7.99 3.40 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.15 0.00 0.00 0.00 0.00 0.00 2.53 2.28 0.00 28 V 7.55 4.47 2.11 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 0.84 0.00 0.00 0.97 0.00 0.00 29 R 9.73 4.91 0.00 1.73 1.74 0.00 3.20 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 30 Q 8.77 3.67 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 1.94 2.30 0.00 31 S 8.35 4.15 0.00 3.86 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 32 A 8.33 4.07 1.35 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 0.00 0.00 0.00 33 K 7.84 4.64 0.00 1.66 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 0.95 7.81 34 V 8.48 3.60 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 1.03 0.00 0.00 0.89 0.00 0.00 35 Q 7.76 4.07 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.90 0.00 0.00 0.00 0.00 0.00 1.57 2.01 0.00 36 F 7.76 4.83 0.00 3.12 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 37 G 7.69 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 0.00 0.00 0.00 38 D 8.57 4.54 0.00 2.74 2.78 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 39 Y 7.72 5.13 0.00 2.80 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 40 Q 9.50 5.01 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 41 A 9.06 5.03 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 42 N 9.01 5.20 0.00 2.68 3.05 0.00 0.00 6.97 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 43 G 8.03 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 44 V 7.45 3.61 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 0.95 0.00 0.00 0.95 0.00 0.00 *46 A 8.09 4.29 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 47 V 7.79 3.55 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 0.99 0.00 0.00 0.96 0.00 0.00 48 A 8.16 3.92 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 49 K 7.95 4.16 0.00 1.83 1.95 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.46 7.81 50 K 7.83 4.13 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.40 7.81 51 L 7.56 4.35 0.00 1.79 1.68 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.46 3.53 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 *54 A 7.51 4.06 1.29 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 55 P 0.00 4.20 0.00 2.44 2.25 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 56 R 8.05 3.99 0.00 1.83 2.01 0.00 3.30 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 57 Q 7.94 4.23 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.37 1.85 0.00 58 L 7.92 4.14 0.00 1.75 1.82 0.92 1.23 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 59 A 8.14 3.98 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 60 E 8.11 3.93 0.00 2.26 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 2.33 2.43 0.00 61 Q 7.70 4.03 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 62 V 8.05 3.81 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 1.05 0.00 0.00 0.99 0.00 0.00 63 L 8.00 4.07 0.00 2.03 1.70 1.02 0.77 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 64 S 7.68 4.15 0.00 3.91 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 65 H 7.75 4.72 0.00 3.35 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.20 4.28 0.00 1.80 1.71 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.56 4.73 0.00 2.63 2.53 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 68 L 8.05 4.51 0.00 1.70 1.55 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.44 4.22 0.00 2.96 2.79 0.00 0.00 7.03 7.53 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 70 G 9.09 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 71 I 8.12 3.18 1.70 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 0.46 0.41 0.32 0.00 0.00 72 A 7.54 5.08 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 73 N 8.81 4.69 0.00 2.78 3.00 0.00 0.00 6.70 6.42 0.00 0.00 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 K 7.86 4.67 0.00 1.71 1.50 0.00 0.98 0.00 0.00 1.56 0.00 0.00 2.46 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.32 7.81 75 V 8.37 5.14 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 0.94 0.00 0.00 0.99 0.00 0.00 76 E 9.35 4.93 0.00 2.17 1.89 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 2.23 2.27 0.00 77 I 8.41 4.90 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 1.31 0.55 0.99 0.00 0.00 78 A 8.68 4.65 1.29 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 79 G 8.84 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 0.00 0.00 0.00 80 P 0.00 4.86 0.00 2.02 2.07 0.00 3.84 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 1.47 1.86 0.00 81 G 7.79 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 82 F 8.04 4.34 0.00 3.12 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 83 I 8.82 4.90 1.92 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 1.27 0.97 0.97 0.00 0.00 84 N 9.49 5.15 0.00 2.84 2.92 0.00 0.00 6.40 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 85 I 9.00 4.76 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.96 0.00 0.00 86 F 9.58 5.05 0.00 3.03 3.09 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 87 L 9.86 4.73 0.00 1.74 1.82 1.21 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.17 4.67 0.00 2.79 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 89 P 0.00 4.36 0.00 2.34 2.35 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 90 A 8.65 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.14 0.00 3.37 3.33 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 92 L 8.08 3.67 0.00 1.93 1.68 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.24 3.98 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 94 D 7.95 4.18 0.00 2.84 2.78 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 95 N 7.77 4.06 0.00 2.26 2.57 0.00 0.00 6.85 7.13 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 96 V 7.65 3.52 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 0.95 0.00 0.00 0.90 0.00 0.00 97 N 8.22 4.30 0.00 2.88 2.84 0.00 0.00 7.10 7.19 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 98 R 8.07 3.91 0.00 1.87 1.97 0.00 3.13 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 99 A 7.95 4.14 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 0.00 100 L 7.68 4.70 0.00 1.63 1.70 0.91 0.94 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 0.00 101 Q 7.75 4.30 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 102 S 8.12 4.62 0.00 3.57 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 * Residues marked with a * may have inaccurate shift predictions.