NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0774 8.0249 121.4477 61.5019 37.3157 174.6033 2 Q 4.6355 7.8901 124.3280 52.9244 31.4900 173.1832 3 R 4.5144 10.2610 114.9907 55.6614 33.2644 174.6076 4 T 4.5617 9.0516 120.6616 63.5964 69.2867 171.5765 5 P 5.0354 0.0000 0.0000 61.6140 33.5531 175.4112 6 K 4.2908 9.8196 122.3446 56.3095 32.9267 175.9704 7 I 4.7855 8.3304 126.3274 60.1461 39.0847 175.9250 8 Q 4.4867 8.8716 124.7940 54.8004 32.5992 174.2696 9 V 4.8155 8.7388 125.8730 61.8950 32.3320 174.3799 10 Y 5.5802 8.6908 126.1972 55.9022 41.8398 173.9808 11 S 4.9360 9.0588 114.8498 57.2191 64.4367 173.9601 12 R 4.1399 8.6167 123.3436 59.4974 30.1941 175.8155 13 H 5.1507 8.1123 112.9846 52.8860 31.7972 171.1731 14 P 4.7462 0.0000 0.0000 62.1467 32.8553 176.4602 15 A 4.3235 8.7695 119.8863 54.9462 18.5535 177.6017 16 E 4.4032 7.2888 116.0874 54.0187 29.2942 173.3621 *21 N 4.8411 7.6856 121.4885 53.2350 41.5279 172.1903 22 F 5.0744 8.7812 116.8383 55.4643 43.4901 174.0152 23 L 3.8855 9.0323 124.8220 53.2174 43.5592 174.6335 24 N 5.2261 8.7655 124.3709 51.4545 41.4600 173.0534 25 C 5.2360 9.1776 123.4748 55.0811 40.9813 171.9999 26 Y 5.0106 9.1810 129.3107 56.2899 40.4475 174.5599 27 V 4.5487 7.9741 122.0072 59.8284 33.0071 175.7113 28 S 5.0506 8.5852 120.0095 55.9083 67.3308 173.6745 29 G 4.8725 8.5688 106.0663 47.7693 0.0000 173.1537 30 F 5.4685 8.4874 112.0526 55.2943 41.5686 173.6689 31 H 5.0707 9.0848 119.4047 54.3065 33.6714 171.5320 32 P 4.6734 0.0000 0.0000 62.6618 32.0587 176.5463 33 S 3.2277 8.9319 113.7158 62.0394 62.9516 175.4876 34 D 4.3619 6.6055 128.4582 50.7805 37.7648 175.4604 35 I 4.8452 7.9029 122.8171 58.9574 41.9984 173.7338 36 E 4.6537 8.6504 126.9213 54.5854 31.8244 175.1296 37 V 4.6511 8.0408 124.0581 60.9409 34.3180 174.3125 38 D 4.8459 9.0306 126.8143 52.5201 44.8852 174.3212 39 L 5.0116 8.4394 122.2232 53.1538 44.1193 175.4156 40 L 5.0061 8.7481 124.6165 54.7385 44.4138 175.6866 41 K 4.4112 8.7184 125.1246 54.2119 33.6279 174.6233 42 N 4.1621 10.1867 122.5387 53.2422 36.8457 175.4060 43 G 3.9824 8.5185 107.0945 45.2236 0.0000 174.0836 44 E 4.3406 8.5200 120.7529 54.6620 30.0812 175.3092 45 R 4.1910 8.5443 123.9457 57.2041 30.4932 175.4752 46 I 4.3465 9.3369 127.1930 60.5152 38.9733 175.6129 47 E 4.2967 8.5907 125.0569 55.5959 31.8503 176.9217 48 K 3.6279 8.5575 116.4812 56.7906 29.5857 175.6038 49 V 3.4644 7.0145 118.2176 63.4778 31.2995 175.1783 50 E 4.6412 8.1239 126.3905 55.5304 31.4253 175.1263 51 H 5.9664 8.4244 116.6002 53.0420 32.3264 172.6215 52 S 4.5966 8.2242 113.9429 57.5621 64.9649 173.0669 53 D 4.7156 8.3806 118.9589 53.0028 41.8848 176.3602 54 L 4.1570 8.0714 123.7647 55.7334 43.0578 175.6476 55 S 4.4827 7.9748 117.3206 57.6034 66.6970 172.0454 56 F 5.1145 7.1012 116.2135 55.6922 40.6671 174.7464 57 S 4.8852 8.4244 116.9945 58.7950 62.6390 175.7171 58 K 3.8252 8.6249 123.6809 59.9824 32.3783 178.5572 59 D 4.4427 7.7699 113.1721 53.6442 38.9852 177.1005 60 W 3.2816 7.3955 119.3722 56.7948 28.3243 174.5437 61 S 4.2614 8.2094 114.8075 58.1151 63.3628 174.5219 62 F 5.0082 8.1085 124.0843 58.2211 39.0141 173.6229 63 Y 5.2790 8.5005 115.2014 56.6563 41.3364 173.7678 64 L 5.2634 9.2886 122.7469 53.0947 47.2744 175.3438 65 L 4.9856 8.5506 121.2851 54.5907 45.1463 173.8685 66 Y 5.8855 9.3416 125.1606 56.1347 40.3355 174.6705 67 Y 5.9299 8.6337 120.3099 55.9605 41.3824 173.5280 68 T 4.7742 8.1376 114.5882 60.3172 71.5122 172.4729 69 E 3.1847 8.0763 123.2455 55.5020 30.8288 176.7679 70 F 4.6019 8.8144 114.4531 58.1070 42.9548 173.0016 71 T 4.0699 6.8282 114.3209 61.8871 72.2211 172.6876 72 P 4.3869 0.0000 0.0000 64.2963 32.2542 176.8194 73 T 4.0697 7.0319 103.4287 61.2599 69.3190 175.6815 *76 D 4.3710 8.5504 117.6813 52.9412 40.2763 174.3649 77 E 4.5205 9.7930 123.0562 56.3326 31.6707 174.6105 78 Y 5.4946 8.1791 119.0529 56.9897 43.2518 173.7516 79 A 5.0200 8.2698 122.2711 52.2047 23.9495 174.0618 80 C 5.3188 9.1700 119.1154 54.9753 45.3660 172.7053 81 R 4.8652 9.1930 127.0313 55.2589 31.8594 175.2508 82 V 5.3644 8.4720 124.7451 61.8972 35.6239 172.4663 83 N 4.9739 8.7075 125.5591 52.6102 41.7896 172.5482 84 H 5.1509 8.6984 128.7388 55.5244 32.1918 175.5385 85 V 4.3266 7.8384 115.4126 61.7425 31.5782 176.4124 86 T 4.4280 7.7951 117.0166 63.2424 70.4187 174.1176 87 L 4.6296 7.7617 121.4974 52.6208 42.9756 175.8726 88 S 4.2976 8.9912 119.6214 60.8027 62.8234 174.4566 89 Q 4.6281 7.4538 117.9271 52.3025 31.0629 172.9151 90 P 4.2134 0.0000 0.0000 62.1625 31.7524 175.2779 91 K 4.3538 9.5296 126.0482 55.7896 33.2329 175.7327 92 I 4.9583 8.3234 127.7075 60.0178 40.0430 175.6351 93 V 4.3743 8.7194 126.9165 62.1546 34.5466 174.7471 94 K 4.7737 8.7843 132.2182 54.5729 32.6561 172.9455 95 W 4.4072 8.8102 135.0000 56.7949 31.2731 175.1478 96 D 4.3553 8.6425 128.1013 53.1007 41.0978 176.8018 97 R 2.5100 7.7792 126.6935 58.2606 30.0614 176.8427 98 D 4.7114 7.4191 112.8699 52.4139 40.2861 175.6294 99 M 3.4364 8.0089 125.4434 56.1174 32.3454 176.3414 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 I 8.02 4.08 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.91 0.00 0.00 2 Q 7.89 4.64 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 3 R 10.26 4.51 0.00 1.86 2.06 0.00 2.88 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 4 T 9.05 4.56 4.31 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 1.25 0.00 0.00 5 P 0.00 5.04 0.00 1.65 1.54 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 6 K 9.82 4.29 0.00 1.75 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.63 7.81 7 I 8.33 4.79 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.95 0.00 0.00 8 Q 8.87 4.49 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 9 V 8.74 4.82 2.32 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 1.01 0.00 0.00 1.08 0.00 0.00 10 Y 8.69 5.58 0.00 3.20 3.17 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 11 S 9.06 4.94 0.00 4.19 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 12 R 8.62 4.14 0.00 1.90 1.99 0.00 3.05 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 0.00 13 H 8.11 5.15 0.00 3.32 3.20 0.00 5.71 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 14 P 0.00 4.75 0.00 2.30 2.31 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 15 A 8.77 4.32 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 16 E 7.29 4.40 0.00 2.08 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 2.21 2.21 0.00 *21 N 7.69 4.84 0.00 2.90 2.58 0.00 0.00 6.82 7.71 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 22 F 8.78 5.07 0.00 2.94 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 23 L 9.03 3.89 0.00 0.27 0.45 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.77 5.23 0.00 1.44 2.10 0.00 0.00 5.96 7.55 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 25 C 9.18 5.24 0.00 2.93 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 26 Y 9.18 5.01 0.00 3.45 3.22 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 27 V 7.97 4.55 1.37 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 0.44 0.00 0.00 0.79 0.00 0.00 28 S 8.59 5.05 0.00 3.90 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 4.87 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 30 F 8.49 5.47 0.00 3.17 3.03 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 31 H 9.08 5.07 0.00 3.24 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.67 0.00 2.33 2.12 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 33 S 8.93 3.23 0.00 3.32 2.63 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 0.00 0.00 0.00 0.00 34 D 6.61 4.36 0.00 2.74 2.63 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 0.00 0.00 0.00 0.00 35 I 7.90 4.85 2.56 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 1.13 0.00 0.00 36 E 8.65 4.65 0.00 2.09 1.77 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 2.21 2.22 0.00 37 V 8.04 4.65 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 0.00 0.00 0.16 0.00 0.00 0.51 0.00 0.00 38 D 9.03 4.85 0.00 2.49 2.43 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 39 L 8.44 5.01 0.00 1.55 1.50 0.88 0.43 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 40 L 8.75 5.01 0.00 1.75 1.70 1.02 0.24 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 41 K 8.72 4.41 0.00 1.49 1.73 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.27 7.81 42 N 10.19 4.16 0.00 2.70 2.83 0.00 0.00 7.36 7.87 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 43 G 8.52 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 E 8.52 4.34 0.00 1.96 1.88 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 2.25 2.36 0.00 45 R 8.54 4.19 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 46 I 9.34 4.35 1.88 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 1.33 0.97 0.88 0.00 0.00 47 E 8.59 4.30 0.00 1.87 1.87 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 2.34 2.27 0.00 48 K 8.56 3.63 0.00 1.83 1.87 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.44 7.81 49 V 7.01 3.46 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 1.00 0.00 0.00 0.96 0.00 0.00 50 E 8.12 4.64 0.00 1.62 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 2.17 2.09 0.00 51 H 8.42 5.97 0.00 2.31 2.30 0.00 5.32 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.22 4.60 0.00 3.91 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 53 D 8.38 4.72 0.00 2.67 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 54 L 8.07 4.16 0.00 1.53 1.50 0.83 0.14 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 55 S 7.97 4.48 0.00 3.63 2.66 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 56 F 7.10 5.11 0.00 2.71 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 57 S 8.42 4.89 0.00 4.01 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 58 K 8.62 3.83 0.00 1.71 1.69 0.00 1.35 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.37 7.81 59 D 7.77 4.44 0.00 2.87 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 60 W 7.40 3.28 0.00 3.31 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 61 S 8.21 4.26 0.00 4.12 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 62 F 8.11 5.01 0.00 2.21 2.93 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 63 Y 8.50 5.28 0.00 2.99 3.18 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 64 L 9.29 5.26 0.00 1.69 1.69 1.11 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.55 4.99 0.00 2.04 1.49 1.13 0.77 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 66 Y 9.34 5.89 0.00 3.07 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 67 Y 8.63 5.93 0.00 3.09 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 68 T 8.14 4.77 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 0.91 0.00 0.00 69 E 8.08 3.18 0.00 1.52 1.12 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 1.89 2.06 0.00 70 F 8.81 4.60 0.00 2.92 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 71 T 6.83 4.07 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 1.11 0.00 0.00 72 P 0.00 4.39 0.00 2.07 2.34 0.00 3.52 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 73 T 7.03 4.07 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 1.20 0.00 0.00 *76 D 8.55 4.37 0.00 2.76 2.66 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 77 E 9.79 4.52 0.00 1.91 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 2.36 2.35 0.00 78 Y 8.18 5.49 0.00 3.22 2.82 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 0.00 0.00 0.00 79 A 8.27 5.02 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 80 C 9.17 5.32 0.00 2.94 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 81 R 9.19 4.87 0.00 1.86 1.85 0.00 3.13 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 82 V 8.47 5.36 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 0.75 0.00 0.00 0.79 0.00 0.00 83 N 8.71 4.97 0.00 2.78 2.74 0.00 0.00 6.78 7.89 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 84 H 8.70 5.15 0.00 3.16 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.84 4.33 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 0.78 0.00 0.00 0.77 0.00 0.00 86 T 7.80 4.43 4.38 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 1.30 0.00 0.00 87 L 7.76 4.63 0.00 1.65 1.79 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.99 4.30 0.00 3.98 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 89 Q 7.45 4.63 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 90 P 0.00 4.21 0.00 2.06 2.06 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 91 K 9.53 4.35 0.00 1.81 1.67 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 92 I 8.32 4.96 1.89 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 1.23 0.74 0.99 0.00 0.00 93 V 8.72 4.37 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 0.97 0.00 0.00 0.97 0.00 0.00 94 K 8.78 4.77 0.00 1.58 1.58 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.60 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.01 7.81 95 W 8.81 4.41 0.00 3.32 3.38 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 96 D 8.64 4.36 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 2.51 0.00 1.42 1.72 0.00 2.56 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 0.00 98 D 7.42 4.71 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.01 3.44 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 * Residues marked with a * may have inaccurate shift predictions.