NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1614 8.2649 123.5821 48.7309 20.2537 176.2701 2 K 3.5394 8.4399 123.3102 53.9615 29.7039 174.0398 3 Q 3.9252 8.2005 125.2734 59.0757 29.6766 178.0663 4 S 4.0965 8.1637 114.6958 62.1612 62.7140 176.3654 5 M 3.9800 8.4577 122.2806 56.6955 31.6297 178.4384 6 K 3.8105 7.4609 117.8844 59.1342 31.2669 177.7948 7 A 4.4942 7.5045 119.2754 53.7289 19.7728 177.8779 8 R 3.7111 8.4558 116.2379 59.2218 29.8040 178.5732 9 E 3.7208 7.8757 118.2074 59.5165 30.5061 179.4709 10 V 3.5355 7.2673 115.4439 66.2563 31.6758 178.3273 11 K 3.9315 8.1417 117.6644 59.6469 31.7483 179.4454 12 R 4.4257 7.3969 118.0866 58.1800 30.2729 178.7502 13 V 3.8233 7.6321 116.9631 65.2965 31.5136 177.2933 14 A 4.4652 7.5480 121.7609 55.1012 18.0616 178.9829 15 L 3.8058 7.7495 116.0754 58.2536 41.3606 179.3871 16 A 4.6601 7.9503 120.7339 55.1423 18.4770 179.0598 17 D 4.4094 7.9431 116.3792 57.2432 40.5912 179.1953 18 K 4.2743 7.5014 116.4623 59.2578 33.2245 177.6392 19 Y 4.3431 9.0634 118.2973 59.9495 37.6488 178.4485 20 F 4.3180 8.6558 118.5542 57.8859 38.7765 176.2496 21 A 4.6079 9.1286 124.6748 53.5032 20.2961 178.8449 22 K 4.8559 7.8531 110.0658 55.5768 33.7059 176.9744 23 R 4.3559 7.5021 116.1778 56.0391 32.9681 177.6871 24 A 3.3735 7.9683 121.1734 54.8669 18.6512 179.0192 25 E 3.9314 8.5433 113.5485 59.8133 29.7103 179.4446 26 L 3.6973 7.6739 120.9497 57.4572 42.1178 178.0869 27 K 3.6376 7.1893 113.8513 60.0495 32.4619 177.1097 28 A 4.3465 8.3994 124.2204 54.7475 20.0086 180.2778 29 I 4.3179 7.4794 120.5916 60.5939 36.5542 178.3864 30 I 3.8614 8.7438 126.7483 65.8087 36.8252 176.9117 31 S 4.3960 7.9866 113.9816 60.5858 63.6911 173.6167 32 D 5.0471 8.5562 118.7300 54.5663 40.7530 178.3791 33 V 4.1598 8.1522 112.2028 61.2228 29.3960 174.5097 34 N 4.9425 8.0546 117.1134 53.1484 42.6525 174.1364 35 A 4.3110 7.5919 115.7726 53.5130 24.1809 176.1030 *40 R 4.3685 7.5989 113.0697 56.5294 31.1040 175.1835 41 W 5.5129 8.0422 127.6716 57.0023 31.6424 174.1517 42 N 4.2764 8.8267 125.3629 56.2021 38.6993 176.3152 43 A 4.0123 6.9950 117.3881 52.7543 18.3812 177.5519 44 V 4.1331 7.5396 116.2311 63.8742 33.6626 176.9873 45 L 4.2276 7.4170 116.1827 55.6906 42.1490 177.4249 46 K 4.2077 8.0544 118.0309 59.3087 32.7297 178.6805 47 L 3.9399 7.9797 118.9868 57.9468 41.9948 177.7852 48 Q 3.9676 8.1573 115.4153 59.2520 28.1448 177.3442 49 T 4.3668 7.6933 115.5412 62.2287 67.0563 172.1934 50 L 4.6372 7.9197 125.9942 56.0153 47.3444 175.4490 51 P 4.3186 0.0000 0.0000 64.8978 33.2886 179.2209 52 R 3.8938 8.8765 119.6369 56.3999 29.6789 176.6295 53 D 4.1726 9.1822 121.2446 57.0512 42.3936 177.4233 54 S 4.0853 7.9406 113.3194 60.8354 62.6452 174.2636 55 S 2.7900 8.0315 116.1991 57.2739 63.2107 172.9641 56 P 4.1112 0.0000 0.0000 66.1264 31.9311 177.9616 57 S 4.4703 7.4825 115.4610 57.2316 60.3765 175.4075 58 R 4.4746 7.2960 112.9758 57.0028 32.7747 175.1600 59 Q 4.6855 7.9568 117.0205 54.3521 31.2079 176.1619 60 R 4.3429 8.9298 117.2976 58.9520 29.1453 180.1035 61 N 3.1400 8.2671 111.2505 50.9256 40.5051 171.4787 62 R 4.0652 6.3024 129.4080 55.6187 31.8391 176.9418 63 C 4.7444 8.6053 117.1367 58.3124 30.3760 173.2220 64 R 4.0915 7.8933 119.7101 59.6605 29.1711 177.7816 65 Q 4.1479 7.4555 116.3622 58.6511 30.0633 180.1862 66 T 4.5072 7.4776 119.5980 61.9775 68.8819 176.8976 67 G 3.9688 8.9501 111.0627 46.4678 0.0000 171.4457 68 R 3.8054 8.1508 122.1037 54.9885 29.1520 174.8954 69 P 4.4588 0.0000 0.0000 64.4181 32.9325 176.4715 70 H 4.5064 8.1816 115.1547 55.6618 28.4837 176.4859 71 G 3.9627 8.8989 113.1633 46.6633 0.0000 172.6042 72 F 4.6111 8.1677 123.5172 57.7869 41.9673 173.2121 73 L 4.4512 6.5560 123.6381 53.4474 44.3913 176.9140 74 R 4.2350 8.7578 123.8359 59.1665 32.2514 177.7747 75 K 3.3895 8.2502 110.6606 59.0213 29.8075 177.9737 76 F 4.3188 7.7405 121.3437 58.3475 39.0212 175.6424 77 G 3.7468 7.7809 108.6977 46.2904 0.0000 173.2785 78 L 5.0164 6.8120 114.6495 51.7260 45.6757 176.8063 79 S 4.6746 8.3986 117.4397 56.6314 65.8944 174.1623 80 R 3.3952 8.8131 116.3243 60.1847 29.6394 177.1619 81 I 3.6808 8.4679 111.7639 64.6087 37.6099 178.2332 82 K 3.9251 8.0700 119.3088 58.8604 31.9782 179.3456 83 V 3.4437 8.0666 118.9440 66.2648 31.7031 177.5115 84 R 3.7981 8.3058 118.8827 59.1581 29.5739 177.5019 85 E 3.8225 8.4951 119.8234 60.4930 30.0328 178.7110 86 A 3.7997 7.9502 119.5054 54.4289 18.1676 178.9852 87 A 3.7579 8.0520 117.5663 54.9638 18.5964 179.7844 88 M 3.9552 7.6312 116.3406 58.8094 32.2470 178.7630 89 R 4.1463 7.8610 114.8276 56.7008 30.6433 176.6421 90 G 3.7818 8.3305 107.0740 46.2982 0.0000 174.7343 91 E 4.1702 8.0577 119.2166 57.2399 30.4281 177.3641 92 I 4.4082 7.3458 119.2211 58.4017 38.8779 173.6863 93 P 4.3265 0.0000 0.0000 63.4766 31.9838 177.0708 94 G 3.9311 8.7246 106.8951 45.8905 0.0000 172.8308 95 L 4.6563 7.3370 121.0743 52.7472 43.7245 175.4906 96 K 4.4051 8.2691 123.2464 55.2342 35.2165 174.6817 97 K 3.7264 8.6877 118.2355 56.7064 31.7078 177.1148 98 A 4.4510 8.6173 126.9016 51.8761 19.2086 176.5758 99 S 4.5308 8.7371 111.9222 57.9189 64.7671 177.2968 100 W 4.4674 7.9570 120.1610 57.1915 27.2470 174.0344 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 A 8.26 4.16 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 2 K 8.44 3.54 0.00 2.02 1.83 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.20 3.93 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 4 S 8.16 4.10 0.00 4.07 4.12 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 0.00 0.00 0.00 5 M 8.46 3.98 0.00 2.02 2.13 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 2.59 2.55 0.00 6 K 7.46 3.81 0.00 1.86 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.92 7.81 7 A 7.50 4.49 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 8 R 8.46 3.71 0.00 2.02 1.85 0.00 3.14 0.00 0.00 3.07 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 E 7.88 3.72 0.00 2.03 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 2.33 2.43 0.00 10 V 7.27 3.54 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 0.97 0.00 0.00 0.98 0.00 0.00 11 K 8.14 3.93 0.00 1.90 1.81 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.60 7.81 12 R 7.40 4.43 0.00 1.77 2.09 0.00 3.07 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 13 V 7.63 3.82 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 1.13 0.00 0.00 0.93 0.00 0.00 14 A 7.55 4.47 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 L 7.75 3.81 0.00 1.70 1.59 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.95 4.66 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 17 D 7.94 4.41 0.00 2.94 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 18 K 7.50 4.27 0.00 1.99 1.97 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.89 7.81 19 Y 9.06 4.34 0.00 3.19 3.02 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 20 F 8.66 4.32 0.00 3.05 3.16 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 21 A 9.13 4.61 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 22 K 7.85 4.86 0.00 1.67 1.79 0.00 1.74 0.00 0.00 0.77 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.38 7.81 23 R 7.50 4.36 0.00 1.63 1.65 0.00 2.38 0.00 0.00 2.97 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 24 A 7.97 3.37 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 25 E 8.54 3.93 0.00 2.10 2.24 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 2.32 2.24 0.00 26 L 7.67 3.70 0.00 1.65 1.78 0.85 0.39 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 27 K 7.19 3.64 0.00 1.96 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.60 7.81 28 A 8.40 4.35 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 29 I 7.48 4.32 1.97 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 1.29 1.11 0.96 0.00 0.00 30 I 8.74 3.86 1.94 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 1.36 0.36 1.14 0.00 0.00 31 S 7.99 4.40 0.00 3.86 4.13 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 0.00 0.00 0.00 32 D 8.56 5.05 0.00 2.70 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 0.00 0.00 0.00 33 V 8.15 4.16 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 0.77 0.00 0.00 0.93 0.00 0.00 34 N 8.05 4.94 0.00 2.66 2.80 0.00 0.00 7.00 7.96 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 35 A 7.59 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 7.60 4.37 0.00 1.85 1.94 0.00 3.15 0.00 0.00 3.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 41 W 8.04 5.51 0.00 3.36 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 42 N 8.83 4.28 0.00 2.78 2.76 0.00 0.00 6.99 8.15 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 43 A 7.00 4.01 0.25 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 44 V 7.54 4.13 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 0.97 0.00 0.00 0.98 0.00 0.00 45 L 7.42 4.23 0.00 1.71 1.66 0.95 0.62 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 46 K 8.05 4.21 0.00 1.78 1.77 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.43 7.81 47 L 7.98 3.94 0.00 1.53 1.66 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.16 3.97 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 49 T 7.69 4.37 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 1.24 0.00 0.00 50 L 7.92 4.64 0.00 1.77 1.77 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.32 0.00 2.69 2.83 0.00 4.11 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 52 R 8.88 3.89 0.00 2.10 1.74 0.00 3.26 0.00 0.00 3.30 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 53 D 9.18 4.17 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.09 0.00 3.91 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 55 S 8.03 2.79 0.00 3.97 3.54 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 0.00 0.00 0.00 0.00 56 P 0.00 4.11 0.00 2.08 2.03 0.00 3.17 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 57 S 7.48 4.47 0.00 3.83 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 58 R 7.30 4.47 0.00 1.64 1.78 0.00 3.12 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 59 Q 7.96 4.69 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.45 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 60 R 8.93 4.34 0.00 1.82 1.99 0.00 2.77 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 61 N 8.27 3.14 0.00 2.32 1.48 0.00 0.00 7.27 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 62 R 6.30 4.07 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 63 C 8.61 4.74 0.00 3.28 3.15 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 64 R 7.89 4.09 0.00 2.03 2.03 0.00 3.37 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 65 Q 7.46 4.15 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 66 T 7.48 4.51 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 1.23 0.00 0.00 67 G 8.95 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 0.00 0.00 0.00 0.00 68 R 8.15 3.81 0.00 1.90 1.97 0.00 3.25 0.00 0.00 3.52 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.73 0.00 69 P 0.00 4.46 0.00 2.06 2.08 0.00 3.76 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 1.82 1.92 0.00 70 H 8.18 4.51 0.00 3.14 3.04 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.90 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 72 F 8.17 4.61 0.00 3.06 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 73 L 6.56 4.45 0.00 1.25 1.26 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.76 4.24 0.00 1.73 2.01 0.00 3.48 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 75 K 8.25 3.39 0.00 1.22 0.74 0.00 1.41 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.44 1.01 7.81 76 F 7.74 4.32 0.00 3.14 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 77 G 7.78 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 0.00 0.00 0.00 78 L 6.81 5.02 0.00 1.74 1.53 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.40 4.67 0.00 4.18 4.17 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 80 R 8.81 3.40 0.00 1.94 1.81 0.00 3.22 0.00 0.00 3.41 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 81 I 8.47 3.68 1.88 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 1.66 0.45 0.92 0.00 0.00 82 K 8.07 3.93 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.49 7.81 83 V 8.07 3.44 2.24 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 0.78 0.00 0.00 1.11 0.00 0.00 84 R 8.31 3.80 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.09 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 85 E 8.50 3.82 0.00 2.00 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 0.00 2.32 2.35 0.00 86 A 7.95 3.80 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 87 A 8.05 3.76 1.22 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 88 M 7.63 3.96 0.00 2.01 2.43 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.92 0.00 89 R 7.86 4.15 0.00 1.88 1.96 0.00 3.16 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 90 G 8.33 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 0.00 0.00 0.00 91 E 8.06 4.17 0.00 1.91 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 2.21 0.00 92 I 7.35 4.41 1.65 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.79 0.00 0.00 93 P 0.00 4.33 0.00 2.22 2.17 0.00 3.83 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 2.08 1.97 0.00 94 G 8.72 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 95 L 7.34 4.66 0.00 1.51 1.42 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.27 4.41 0.00 1.84 1.73 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.54 7.81 97 K 8.69 3.73 0.00 1.78 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 98 A 8.62 4.45 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.74 4.53 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.96 4.47 0.00 3.38 3.16 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 * Residues marked with a * may have inaccurate shift predictions.