NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9819 8.3549 109.7426 45.3858 0.0000 174.8856 2 S 4.0285 8.3904 118.6380 59.9087 62.7773 173.7669 3 H 4.6406 8.1191 113.8188 55.0749 29.4143 172.4760 *5 P 4.0500 0.0000 0.0000 63.0316 32.0395 175.3721 6 L 4.3279 8.1688 120.9147 53.5318 42.0637 176.8972 7 S 4.4218 8.3881 121.9462 57.9470 65.1086 175.0604 8 S 4.1104 8.4885 116.9124 61.7519 62.6513 176.4032 9 E 3.9896 8.0936 121.7269 59.2265 29.3364 178.9153 10 N 4.4674 8.2402 116.3867 55.8714 38.4543 177.7679 11 K 4.0480 8.3147 120.7211 59.5373 32.2343 179.4018 12 Q 4.0209 8.2543 118.3634 58.7351 28.4302 178.9535 13 K 3.9967 8.0548 119.7484 59.3752 32.1034 179.2036 14 L 4.0168 8.0704 120.6996 57.8708 41.9153 178.5372 15 Q 4.0317 8.4221 120.0261 59.4828 28.9979 178.9148 16 K 4.2339 8.0618 118.8827 59.4267 32.0103 179.4847 17 Q 3.9879 7.8867 118.8098 58.7765 28.4872 178.7583 18 V 4.0438 8.2161 119.4641 66.2264 31.4314 178.0144 19 E 4.2130 8.4737 117.5125 59.1404 29.6366 178.8598 20 F 4.2686 8.3958 120.9580 61.7010 39.2766 176.8930 21 Y 4.0832 7.7795 114.2722 60.3875 37.6798 177.5900 22 F 4.7186 7.8105 116.1957 56.3080 39.7960 176.2990 23 S 4.3764 7.1818 114.4753 57.9933 63.9132 174.9473 24 D 4.3530 8.8754 121.9504 57.7662 40.2917 179.5276 25 V 3.6327 7.5509 116.5974 66.0761 31.8648 177.4350 26 N 4.3351 7.8216 116.0431 56.1693 38.5617 177.7590 27 V 3.5510 7.9422 120.8998 65.0701 31.0904 178.0080 28 Q 4.2075 7.6059 115.0202 57.2351 28.6472 177.3757 29 R 4.6830 7.8899 117.7902 55.1719 32.1153 176.4039 30 D 4.6306 7.5794 119.0984 52.6643 40.5539 176.2047 31 I 3.7155 7.9987 127.4367 63.8531 37.4157 177.6366 32 F 4.0443 8.1339 120.9688 61.2381 39.1871 176.7934 33 L 3.9567 8.0505 118.5344 58.2045 41.9802 178.7792 34 K 4.2003 8.3002 117.8286 59.2593 31.9614 179.2675 35 G 3.6968 7.6907 105.5464 47.4160 0.0000 176.6006 36 K 4.0617 7.5090 119.3163 56.2256 31.1979 178.4341 *38 A 4.3372 7.9763 121.3296 51.6847 20.2814 179.2222 39 E 4.2174 8.0874 115.6284 58.2251 29.9325 176.6876 40 N 5.0455 7.6093 111.8253 50.7988 40.3927 175.1669 41 A 4.1953 8.6227 121.4746 54.0547 18.6017 178.1193 42 E 4.2155 8.3233 113.8199 55.5030 30.3670 176.8024 43 G 3.8672 7.9828 106.4635 45.9740 0.0000 173.7294 44 F 4.6627 8.4744 118.3444 57.1902 39.5566 175.1722 45 V 4.6776 8.8462 123.1999 60.7235 34.1259 175.4562 46 S 4.4938 8.7433 122.3773 58.3750 63.8121 175.4737 47 L 4.0966 9.0714 123.2082 57.6352 41.1034 179.7272 48 E 4.0045 8.0663 116.6692 59.4789 29.8460 178.9299 49 T 3.9255 7.7190 116.9638 66.4082 68.5243 176.6931 50 L 3.0859 7.5224 120.3533 57.3670 41.4345 179.2207 51 L 4.0889 7.4768 118.0163 57.0226 41.5773 178.6050 52 T 4.2079 7.2537 108.1954 61.6264 69.8259 174.8856 53 F 4.6899 7.3714 122.3851 56.7495 40.2303 175.9334 54 K 3.8768 9.1878 126.4651 60.2392 31.6720 179.0707 55 R 4.1372 8.4083 115.7089 58.1977 30.1831 178.4671 56 V 4.0904 7.8457 117.7704 65.2193 32.0099 177.0556 57 N 4.4611 8.5178 116.1037 56.7056 38.7743 176.4672 58 S 4.3063 7.9998 114.0924 60.1993 63.3294 175.0646 59 V 4.0610 7.5890 121.4414 64.4602 32.3157 175.2234 60 T 4.6490 7.3553 110.7853 61.4875 69.9530 172.4797 61 T 4.5960 8.3729 112.1603 60.8085 69.9059 172.7084 62 D 4.8482 8.1871 122.2750 52.4199 43.0373 177.0111 63 V 3.6969 8.5024 120.7207 64.5741 31.1818 178.6104 64 K 4.0708 8.8389 118.6818 59.2730 31.8314 179.1591 65 E 4.0420 8.2484 119.1162 59.0709 29.3864 179.3430 66 V 3.6508 7.6665 118.0828 65.7240 31.6375 178.0968 67 V 3.5941 7.8513 118.1769 66.1200 31.1844 177.9388 68 E 3.9878 7.7331 116.5520 59.3288 29.3425 178.9160 69 A 4.1619 7.9749 120.0566 55.1446 18.6405 179.4274 70 I 3.9217 8.1612 118.4432 64.0596 37.0491 178.3339 71 R 3.8687 7.8271 119.0606 59.2152 30.0134 175.8940 72 P 4.3454 0.0000 0.0000 64.7457 31.6524 176.9306 73 S 4.2169 8.0708 113.2509 58.6894 62.5933 173.6211 74 E 4.5461 8.6856 124.0550 56.3499 30.2998 176.4152 75 K 4.5168 8.0818 118.1910 56.2245 34.0282 175.9093 76 L 5.1670 7.8546 118.4736 52.6897 45.5506 176.0228 77 V 4.4408 8.4427 120.3912 61.2482 34.6340 174.6688 78 L 4.8552 8.6654 127.7520 53.8312 42.8798 177.0534 79 S 4.2031 8.5078 116.3927 57.6596 63.8414 174.5785 80 E 3.8516 8.7293 122.6905 59.3966 29.1894 177.5213 81 D 4.4929 7.9679 114.7439 52.7043 39.9581 176.3349 82 G 3.9125 8.1431 107.9508 47.0017 0.0000 174.2145 83 L 4.4744 8.1972 117.4914 54.1892 42.1590 176.2979 *85 V 4.6889 7.4536 118.4353 61.8065 33.0290 174.3361 86 R 4.6779 8.5859 117.8052 54.1514 33.2682 174.5167 87 R 4.1371 8.0905 118.4018 56.2567 30.3331 177.1269 88 R 3.9882 8.7728 123.4815 58.9081 30.5909 176.6366 89 D 4.8790 7.7947 116.6913 51.7783 42.7407 174.5010 90 P 4.4482 0.0000 0.0000 61.9432 32.0680 176.5291 91 L 4.0732 8.2608 120.1920 54.4129 42.1537 175.9149 92 P 4.4131 0.0000 0.0000 63.1261 31.2181 176.2831 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 G 8.35 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 2 S 8.39 4.03 0.00 3.98 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 3 H 8.12 4.64 0.00 3.27 3.35 0.00 5.56 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 P 0.00 4.05 0.00 2.22 2.14 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 6 L 8.17 4.33 0.00 1.61 1.64 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.39 4.42 0.00 4.09 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 8 S 8.49 4.11 0.00 4.07 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 9 E 8.09 3.99 0.00 2.03 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 2.40 2.40 0.00 10 N 8.24 4.47 0.00 2.76 2.87 0.00 0.00 7.04 7.32 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 11 K 8.31 4.05 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.65 7.81 12 Q 8.25 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 13 K 8.05 4.00 0.00 2.00 1.86 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.69 7.81 14 L 8.07 4.02 0.00 1.81 1.85 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.42 4.03 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 16 K 8.06 4.23 0.00 2.04 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.65 7.81 17 Q 7.89 3.99 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 18 V 8.22 4.04 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 1.37 0.00 0.00 1.17 0.00 0.00 19 E 8.47 4.21 0.00 2.23 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 0.00 2.43 2.67 0.00 20 F 8.40 4.27 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.78 4.08 0.00 3.16 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.81 4.72 0.00 3.06 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 23 S 7.18 4.38 0.00 4.00 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 24 D 8.88 4.35 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.63 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 0.81 0.00 0.00 0.90 0.00 0.00 26 N 7.82 4.34 0.00 2.55 2.49 0.00 0.00 6.83 7.07 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 27 V 7.94 3.55 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 0.86 0.00 0.00 0.96 0.00 0.00 28 Q 7.61 4.21 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 29 R 7.89 4.68 0.00 1.78 1.91 0.00 3.10 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 30 D 7.58 4.63 0.00 2.84 2.52 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 0.00 0.00 0.00 0.00 31 I 8.00 3.72 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 1.53 0.44 0.94 0.00 0.00 32 F 8.13 4.04 0.00 3.12 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 33 L 8.05 3.96 0.00 1.76 1.63 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.30 4.20 0.00 1.80 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 G 7.69 3.70 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 0.00 0.00 0.00 36 K 7.51 4.06 0.00 1.89 1.79 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.35 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.93 1.37 7.81 *38 A 7.98 4.34 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 39 E 8.09 4.22 0.00 2.08 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 2.31 2.43 0.00 40 N 7.61 5.05 0.00 2.95 2.90 0.00 0.00 6.69 7.36 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 41 A 8.62 4.20 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 42 E 8.32 4.22 0.00 2.20 1.76 0.00 0.00 0.00 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 2.35 0.00 43 G 7.98 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 0.00 0.00 0.00 44 F 8.47 4.66 0.00 3.13 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 45 V 8.85 4.68 2.46 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 0.92 0.00 0.00 1.20 0.00 0.00 46 S 8.74 4.49 0.00 3.93 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 47 L 9.07 4.10 0.00 1.69 1.76 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.07 4.00 0.00 2.09 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 2.26 2.38 0.00 49 T 7.72 3.93 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 1.18 0.00 0.00 50 L 7.52 3.09 0.00 1.77 1.65 1.17 0.59 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 51 L 7.48 4.09 0.00 1.77 1.70 0.93 0.90 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 52 T 7.25 4.21 4.23 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 1.19 0.00 0.00 53 F 7.37 4.69 0.00 2.95 2.39 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 54 K 9.19 3.88 0.00 1.88 1.96 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.61 7.81 55 R 8.41 4.14 0.00 2.14 2.00 0.00 2.58 0.00 0.00 2.88 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 56 V 7.85 4.09 2.44 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 1.09 0.00 0.00 1.16 0.00 0.00 57 N 8.52 4.46 0.00 2.92 3.03 0.00 0.00 7.33 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 58 S 8.00 4.31 0.00 4.12 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 59 V 7.59 4.06 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 0.79 0.00 0.00 1.01 0.00 0.00 60 T 7.36 4.65 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 1.29 0.00 0.00 61 T 8.37 4.60 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 1.22 0.00 0.00 62 D 8.19 4.85 0.00 2.74 2.54 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 63 V 8.50 3.70 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 0.77 0.00 0.00 0.92 0.00 0.00 64 K 8.84 4.07 0.00 2.04 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.57 7.81 65 E 8.25 4.04 0.00 2.17 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 2.47 0.00 66 V 7.67 3.65 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 1.08 0.00 0.00 1.01 0.00 0.00 67 V 7.85 3.59 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 0.98 0.00 0.00 1.01 0.00 0.00 68 E 7.73 3.99 0.00 2.11 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 0.00 2.59 2.48 0.00 69 A 7.97 4.16 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.16 3.92 1.90 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 1.48 0.95 0.94 0.00 0.00 71 R 7.83 3.87 0.00 1.95 2.01 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 72 P 0.00 4.35 0.00 2.29 2.11 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 73 S 8.07 4.22 0.00 3.85 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 74 E 8.69 4.55 0.00 1.98 1.95 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 2.23 2.30 0.00 75 K 8.08 4.52 0.00 1.73 1.83 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 76 L 7.85 5.17 0.00 1.44 1.41 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.44 4.44 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 1.11 0.00 0.00 0.88 0.00 0.00 78 L 8.67 4.86 0.00 1.60 1.59 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.51 4.20 0.00 3.41 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 80 E 8.73 3.85 0.00 1.90 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 2.28 2.36 0.00 81 D 7.97 4.49 0.00 2.75 2.69 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 0.00 0.00 0.00 0.00 82 G 8.14 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 0.00 0.00 0.00 83 L 8.20 4.47 0.00 1.68 1.59 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *85 V 7.45 4.69 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 0.88 0.00 0.00 86 R 8.59 4.68 0.00 1.34 1.06 0.00 2.29 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.20 0.00 87 R 8.09 4.14 0.00 1.67 1.95 0.00 3.50 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 88 R 8.77 3.99 0.00 1.75 1.91 0.00 3.25 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 89 D 7.79 4.88 0.00 2.69 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 90 P 0.00 4.45 0.00 2.02 1.96 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 L 8.26 4.07 0.00 1.63 1.62 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.41 0.00 2.11 1.98 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.