NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2701 8.4293 121.4716 56.0532 30.6875 176.1151 3 T 4.0442 8.1875 117.1929 60.6221 71.1468 173.6200 4 A 4.0142 8.9376 124.8882 55.2605 18.6897 181.0765 5 A 4.2519 8.2114 119.8394 54.9450 18.5212 179.6410 6 A 4.0327 7.8539 119.4739 54.8973 18.3851 179.7348 7 K 3.8452 8.2753 118.3871 59.7272 32.1744 178.6275 8 F 4.0488 8.3921 120.8433 61.4728 39.3230 177.0305 9 E 3.9858 8.3537 118.1353 59.3951 29.1154 179.1920 10 R 3.9071 8.1163 117.9252 59.1200 30.2283 177.7900 11 Q 4.2033 7.6244 115.4347 56.9884 29.3230 175.8731 12 H 4.7495 7.6182 113.2089 54.6577 33.4025 173.0176 13 M 4.5909 7.7605 117.8442 54.4635 33.1461 176.6492 14 D 4.7374 8.8220 122.2922 52.9927 41.8286 175.7019 15 S 4.3119 8.5902 119.4096 60.0374 63.4305 176.0168 16 S 4.2733 8.1086 113.4398 59.4314 63.3617 173.9981 17 T 4.7254 7.2694 117.1248 61.9457 71.9335 174.1111 18 S 4.3335 8.5406 117.2902 58.8917 63.8876 173.9717 19 A 3.7946 7.1161 122.1060 51.1352 21.0133 175.7316 20 A 2.8836 8.1110 123.0445 52.8372 18.5884 178.1334 21 S 4.5530 8.0625 116.6524 58.2224 64.1533 173.7794 22 S 4.5733 7.2655 113.8794 57.4975 64.6546 176.5646 23 S 4.3559 8.7988 114.8335 60.1451 62.9292 174.4112 24 N 4.8801 8.0794 118.4787 53.4467 39.1301 175.8351 25 Y 4.0250 8.2686 121.8010 61.2840 38.9162 177.8392 26 C 4.2862 8.4447 117.1568 59.7899 38.4927 175.8840 27 N 4.3935 8.1483 117.9889 56.4141 38.2553 177.2561 28 Q 4.1459 8.3670 119.4711 58.2673 28.7291 177.8223 29 M 3.9074 7.4450 118.8912 56.7561 32.8370 178.3586 30 M 3.9655 7.5787 118.6279 58.1372 32.0871 178.8179 31 K 4.2325 7.3430 120.3460 59.0831 32.0510 179.4043 32 S 4.0961 7.2253 111.2539 60.8791 62.3320 175.2121 33 R 4.4201 8.3035 119.1390 55.8307 30.9965 175.8927 34 N 4.1821 7.8521 113.4533 54.6614 36.9418 175.0544 35 L 4.5107 8.2063 116.3452 54.6851 42.4875 176.5045 36 T 4.6134 7.1633 108.7793 60.0163 71.7703 173.6382 *40 C 4.5487 8.4643 120.2402 56.3355 41.3973 173.6587 41 K 4.1339 8.0639 122.9197 56.0229 32.1536 174.8918 42 P 4.5638 0.0000 0.0000 65.2850 32.1525 176.6643 43 V 5.4550 7.4672 115.9870 60.4413 34.9306 173.8553 44 N 4.6996 8.3497 122.1509 52.9325 42.3704 172.8264 45 T 5.2877 7.7461 119.8619 60.7857 72.1415 172.8021 46 F 4.8167 8.5657 123.4450 55.7395 42.4220 174.4688 47 V 4.5851 9.3575 123.5243 61.2470 33.3054 175.6643 48 H 5.3091 8.8922 129.1724 53.6592 26.1223 173.8271 49 E 4.7991 7.7049 118.1841 53.2957 34.6491 176.4226 50 S 4.6254 8.3350 116.4976 57.7035 65.0408 174.7874 51 L 3.9832 8.6613 124.7405 58.6395 41.7489 179.3685 52 A 3.9913 7.9675 119.9799 55.3209 18.1824 179.1992 53 D 4.3380 7.8242 116.0334 57.4366 41.2004 178.8866 54 V 3.8069 7.8261 118.5330 66.0110 31.4448 178.2097 55 Q 3.9519 8.4208 117.7110 58.5468 28.4454 178.2234 56 A 4.0558 8.1511 121.4557 54.3064 18.2964 179.6265 57 V 3.6767 7.4661 116.7270 65.8960 31.3398 176.6977 58 C 4.1960 7.6175 114.2513 57.5245 39.9750 173.8411 59 S 4.6427 7.4874 115.1124 58.0755 64.0345 174.9737 60 Q 4.1948 7.5470 121.7755 56.8112 28.1662 178.0336 61 K 4.4153 8.4893 130.8174 56.5674 33.0587 174.5062 62 N 4.0967 8.7889 127.2961 53.4765 39.6299 174.1904 63 V 4.5822 8.4425 118.5430 58.8888 36.6912 174.8554 64 A 4.1866 8.3638 124.7381 52.2740 18.9655 178.5769 65 C 4.7332 8.6519 120.0564 56.4045 41.0018 175.3598 66 K 3.8357 8.9063 121.6369 59.3251 31.6918 178.0992 67 N 4.6152 8.0786 114.1977 52.8023 37.3298 175.7014 68 G 3.9313 8.1061 108.9434 45.8052 0.0000 174.1857 69 Q 4.3702 8.3923 119.3624 55.7547 29.7534 176.4110 70 T 4.6502 8.1528 105.0207 61.7187 69.7915 173.3952 71 N 5.0672 8.0632 118.5430 53.7274 38.5300 175.1545 72 C 5.0692 7.6014 114.9592 57.2634 43.6233 172.6239 73 Y 4.9753 8.6856 117.7096 56.4384 41.7178 173.9196 74 Q 5.2698 8.9076 125.4919 53.8575 31.9387 174.8436 75 S 4.4797 8.7891 121.5529 58.7201 63.5393 175.2434 76 Y 4.3502 9.1830 121.9170 60.4291 37.9607 176.4726 77 S 4.8879 7.2447 110.8123 56.2741 64.3473 173.5384 78 T 4.2184 8.1921 115.1946 62.1034 69.5418 173.3728 79 M 5.0941 9.5219 123.4781 53.4603 36.7816 174.8674 80 S 5.0027 8.6609 118.1890 58.5757 64.1721 173.6010 81 I 5.1517 8.9955 117.7230 59.5418 41.8016 174.0257 82 T 5.0440 8.6705 120.1468 62.0190 71.1021 172.9424 83 D 4.9262 9.2095 127.3984 53.5150 42.9691 174.1621 84 C 5.4627 9.4644 124.2908 55.5119 40.7531 173.1121 85 R 5.3349 8.6972 122.3353 54.0130 33.8665 174.8960 86 E 4.0117 8.6550 123.3229 56.5746 29.9339 178.4242 87 T 4.1079 7.8214 115.6760 61.6987 69.9460 175.0148 88 G 4.0946 8.5489 113.1887 45.9995 0.0000 173.8603 89 S 4.6577 7.7635 114.6034 57.8176 63.6537 174.9268 90 S 4.3799 8.0395 115.0487 56.4649 63.2336 172.2486 91 K 4.6088 8.2130 125.8742 54.3627 34.4815 176.9669 92 Y 4.4585 8.4713 124.6062 56.4018 37.1420 172.2038 93 P 3.6690 0.0000 0.0000 62.7944 33.1441 175.8233 94 N 4.6387 7.7952 117.9032 51.4379 37.9425 174.6130 95 C 4.5073 8.6713 121.0768 55.7086 37.3486 173.3002 96 A 4.9960 8.1880 127.0546 50.8114 20.5093 175.3185 97 Y 4.7997 9.5626 119.2963 55.7921 41.6014 175.4539 98 K 4.2604 9.4802 125.6074 56.5041 33.4012 175.7681 99 T 4.6958 8.6037 124.8874 63.3624 69.7163 174.4382 100 T 4.6366 8.6227 122.1539 61.8137 72.2756 173.3765 101 Q 4.7247 8.8508 125.6604 55.8190 29.7810 175.3430 102 A 4.7523 8.9365 123.3934 50.6616 23.4091 174.5768 103 N 5.3858 8.6558 117.0131 51.4585 40.8099 174.0410 104 K 4.6320 8.8388 123.8287 55.4090 36.7075 174.4888 105 H 4.9441 9.2653 121.5242 55.2989 30.3645 174.6301 106 I 5.0047 8.8743 114.8202 59.2020 41.0445 174.2476 107 I 4.9668 8.2364 124.1626 59.6816 40.1389 175.1039 108 V 4.7410 8.4792 119.1558 59.2949 35.8226 174.8707 109 A 4.8446 8.5655 125.0644 51.7021 20.2466 175.8661 110 C 5.0947 8.3126 117.2420 55.3375 44.7824 173.5439 111 E 4.7079 8.9529 120.5378 56.1262 34.2709 174.3962 112 G 4.1937 9.1267 107.8449 44.9447 0.0000 173.8972 113 N 4.5450 8.5377 116.0694 53.0583 39.4338 172.7678 114 P 4.5085 0.0000 0.0000 61.9412 31.5764 174.8642 115 Y 4.8034 8.3556 125.8928 56.5804 38.8373 174.5772 116 V 4.4300 8.3576 119.5301 58.6279 36.9085 173.2072 117 P 4.3941 0.0000 0.0000 62.7830 31.8933 177.2894 118 V 4.6713 7.9501 115.1562 60.6520 33.9306 174.9534 119 H 4.6447 7.7093 117.1745 55.4622 33.2081 172.1844 120 F 4.6237 9.0997 128.7677 57.5897 39.5078 174.1602 121 D 4.6365 8.2083 126.4075 55.7357 42.2520 175.6383 122 A 4.6485 6.5526 117.4063 51.6195 22.4270 174.6993 123 S 5.1497 8.6859 112.5200 57.2291 66.6696 174.7331 124 V 4.1413 8.5780 113.4618 62.0168 32.8680 174.2754 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 E 8.43 4.27 0.00 1.95 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 2.27 2.32 0.00 3 T 8.19 4.04 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 1.22 0.00 0.00 4 A 8.94 4.01 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 5 A 8.21 4.25 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 0.00 0.00 0.00 0.00 0.00 6 A 7.85 4.03 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 0.00 0.00 0.00 0.00 0.00 7 K 8.28 3.85 0.00 1.87 2.06 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.46 7.81 8 F 8.39 4.05 0.00 3.26 3.31 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 9 E 8.35 3.99 0.00 2.27 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 2.51 2.74 0.00 10 R 8.12 3.91 0.00 1.78 2.08 0.00 3.22 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 11 Q 7.62 4.20 0.00 2.09 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 12 H 7.62 4.75 0.00 2.18 2.71 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.76 4.59 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 14 D 8.82 4.74 0.00 2.77 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 15 S 8.59 4.31 0.00 3.95 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 16 S 8.11 4.27 0.00 3.99 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 17 T 7.27 4.73 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 1.22 0.00 0.00 18 S 8.54 4.33 0.00 3.95 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 19 A 7.12 3.79 1.08 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 0.00 0.00 0.00 0.00 0.00 20 A 8.11 2.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.06 4.55 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 22 S 7.27 4.57 0.00 3.96 3.94 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 23 S 8.80 4.36 0.00 4.03 4.05 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 24 N 8.08 4.88 0.00 2.82 2.86 0.00 0.00 6.52 7.37 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 25 Y 8.27 4.03 0.00 3.03 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 26 C 8.44 4.29 0.00 3.16 3.12 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 27 N 8.15 4.39 0.00 2.90 2.91 0.00 0.00 7.19 7.74 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 28 Q 8.37 4.15 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 29 M 7.45 3.91 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.83 0.00 30 M 7.58 3.97 0.00 1.69 1.83 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.47 0.00 31 K 7.34 4.23 0.00 1.94 1.84 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.35 7.81 32 S 7.23 4.10 0.00 4.14 3.81 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 33 R 8.30 4.42 0.00 1.81 2.04 0.00 3.63 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.97 0.00 34 N 7.85 4.18 0.00 2.84 2.86 0.00 0.00 6.79 7.31 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 35 L 8.21 4.51 0.00 1.57 1.59 0.75 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.16 4.61 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 1.35 0.00 0.00 *40 C 8.46 4.55 0.00 3.26 3.28 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 41 K 8.06 4.13 0.00 1.96 1.76 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.39 7.81 42 P 0.00 4.56 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 43 V 7.47 5.45 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 0.71 0.00 0.00 0.97 0.00 0.00 44 N 8.35 4.70 0.00 2.64 2.28 0.00 0.00 6.89 7.22 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 45 T 7.75 5.29 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 0.98 0.00 0.00 46 F 8.57 4.82 0.00 3.02 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 47 V 9.36 4.59 2.15 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 1.09 0.00 0.00 1.04 0.00 0.00 48 H 8.89 5.31 0.00 3.03 3.43 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.70 4.80 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 50 S 8.34 4.63 0.00 4.07 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 51 L 8.66 3.98 0.00 1.82 1.76 1.01 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 52 A 7.97 3.99 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 0.00 0.00 0.00 0.00 0.00 53 D 7.82 4.34 0.00 2.88 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 54 V 7.83 3.81 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 1.21 0.00 0.00 1.05 0.00 0.00 55 Q 8.42 3.95 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 56 A 8.15 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 57 V 7.47 3.68 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 1.10 0.00 0.00 0.97 0.00 0.00 58 C 7.62 4.20 0.00 2.86 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 59 S 7.49 4.64 0.00 3.84 3.79 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 60 Q 7.55 4.19 0.00 1.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 1.73 2.13 0.00 61 K 8.49 4.42 0.00 2.21 1.93 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 62 N 8.79 4.10 0.00 2.68 2.62 0.00 0.00 7.01 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 63 V 8.44 4.58 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 0.76 0.00 0.00 0.86 0.00 0.00 64 A 8.36 4.19 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 65 C 8.65 4.73 0.00 3.19 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 66 K 8.91 3.84 0.00 1.90 1.88 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.56 7.81 67 N 8.08 4.62 0.00 2.80 2.88 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.11 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 69 Q 8.39 4.37 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 70 T 8.15 4.65 4.20 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 1.19 0.00 0.00 71 N 8.06 5.07 0.00 3.01 3.18 0.00 0.00 6.11 7.68 0.00 0.00 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 C 7.60 5.07 0.00 3.00 2.91 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 73 Y 8.69 4.98 0.00 2.89 2.97 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 74 Q 8.91 5.27 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 75 S 8.79 4.48 0.00 4.06 4.01 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 0.00 0.00 0.00 76 Y 9.18 4.35 0.00 3.00 2.97 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 77 S 7.24 4.89 0.00 3.97 3.81 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 78 T 8.19 4.22 4.18 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 1.06 0.00 0.00 79 M 9.52 5.09 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 80 S 8.66 5.00 0.00 3.79 3.80 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 81 I 9.00 5.15 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.99 0.00 0.00 82 T 8.67 5.04 4.55 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 1.40 0.00 0.00 83 D 9.21 4.93 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.46 5.46 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 85 R 8.70 5.33 0.00 1.76 1.81 0.00 3.21 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 E 8.66 4.01 0.00 1.81 1.75 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 1.65 2.05 0.00 87 T 7.82 4.11 4.21 0.00 0.00 0.00 0.00 0.00 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 88 G 8.55 4.09 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 0.00 0.00 0.00 89 S 7.76 4.66 0.00 3.83 3.81 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 90 S 8.04 4.38 0.00 3.73 3.64 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 91 K 8.21 4.61 0.00 1.72 1.66 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.36 7.81 92 Y 8.47 4.46 0.00 2.93 2.96 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 93 P 0.00 3.67 0.00 1.99 1.77 0.00 3.55 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 94 N 7.80 4.64 0.00 2.71 2.83 0.00 0.00 6.88 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 95 C 8.67 4.51 0.00 3.17 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 96 A 8.19 5.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.56 4.80 0.00 2.95 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 98 K 9.48 4.26 0.00 1.81 1.75 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.59 7.81 99 T 8.60 4.70 4.32 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 1.36 0.00 0.00 100 T 8.62 4.64 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 1.23 0.00 0.00 101 Q 8.85 4.72 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 102 A 8.94 4.75 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 0.00 103 N 8.66 5.39 0.00 2.56 2.73 0.00 0.00 6.67 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 0.00 104 K 8.84 4.63 0.00 1.89 1.65 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.72 7.81 105 H 9.27 4.94 0.00 3.22 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.87 5.00 1.81 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 1.13 0.00 0.00 107 I 8.24 4.97 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.84 0.00 0.00 108 V 8.48 4.74 1.90 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 0.63 0.00 0.00 0.78 0.00 0.00 109 A 8.57 4.84 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 0.00 110 C 8.31 5.09 0.00 2.28 1.59 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 0.00 111 E 8.95 4.71 0.00 1.75 1.75 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 2.26 2.23 0.00 112 G 9.13 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.54 4.54 0.00 2.68 2.85 0.00 0.00 6.93 7.69 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 0.00 114 P 0.00 4.51 0.00 2.19 2.07 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 115 Y 8.36 4.80 0.00 2.81 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 0.00 116 V 8.36 4.43 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 0.65 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.39 0.00 0.49 0.90 0.00 3.26 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 118 V 7.95 4.67 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 0.61 0.00 0.00 0.94 0.00 0.00 119 H 7.71 4.64 0.00 3.24 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.10 4.62 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.21 4.64 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.55 4.65 1.18 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 0.00 0.00 123 S 8.69 5.15 0.00 4.04 4.08 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 0.00 0.00 0.00 124 V 8.58 4.14 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 0.63 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.