NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4582 8.2116 122.9774 48.0831 20.5363 174.7148 2 K 3.4919 7.7597 125.8703 54.8028 29.9031 174.7204 3 Q 3.6086 7.6145 120.4028 58.0404 29.6996 178.1669 4 S 4.0309 7.9678 115.7983 62.4635 63.0042 176.3044 5 M 4.1421 8.0312 119.8334 58.4947 31.6588 178.0515 6 K 3.9877 8.8086 120.2884 59.2189 31.9220 178.1381 7 A 4.1195 8.4174 119.9280 53.2847 18.4000 179.4881 8 R 3.8886 7.6446 117.0939 59.4158 29.9228 178.8984 9 E 3.9952 8.1594 117.6702 59.0773 29.7812 179.0328 10 V 3.6551 7.1779 118.8157 66.2002 31.5209 178.2195 11 K 4.1154 7.7491 116.7259 59.1900 31.9878 178.9603 12 R 3.8919 7.6672 117.7437 59.7076 29.8536 178.4159 13 V 3.6914 9.0025 118.2854 66.0963 31.5663 177.7155 14 A 4.8431 7.5425 120.4679 54.7141 17.8070 179.2489 15 L 3.9194 8.1149 117.2293 58.1071 41.7444 179.2345 16 A 4.4168 7.9050 121.5786 55.6117 18.2502 178.4722 17 D 4.5253 8.0048 117.2023 57.2167 40.5412 178.5418 18 K 4.5759 8.1496 120.2081 56.4411 31.6196 177.6151 19 Y 4.3400 7.9353 120.0575 58.0835 45.2589 174.0313 20 F 4.2396 7.9543 126.6672 58.7576 41.5382 173.7217 21 A 4.4042 8.8278 135.0000 52.2926 24.7603 178.1518 22 K 4.0194 9.3026 122.9474 59.4504 33.1082 179.4713 23 R 3.7890 7.9485 117.0472 58.6434 30.7499 178.5266 24 A 4.3658 8.0631 119.9966 55.1290 18.1989 178.8793 25 E 4.1121 7.8180 114.0306 57.3109 29.0741 178.3590 26 L 3.9345 7.7197 122.0759 58.8339 41.9715 177.5764 27 K 3.7570 7.6586 115.9219 60.1618 32.4313 177.6983 28 A 4.8461 7.6548 123.5797 53.9308 19.9761 178.7768 29 I 4.1453 7.5698 118.7557 61.8689 36.1705 178.8457 30 I 4.3912 8.7808 130.3329 60.3183 35.3382 174.0194 31 S 4.6932 7.5955 119.9887 58.7885 70.0800 173.5355 32 D 4.9265 7.4448 117.3476 52.4304 42.2836 177.2157 33 V 3.9412 8.1978 116.8162 61.9362 29.2153 174.3663 34 N 4.7811 8.2383 117.4609 54.7258 41.2333 176.2303 35 A 3.9180 8.0414 118.7648 55.1384 18.5931 178.2590 *40 R 4.2961 7.4841 115.0308 55.6046 30.3709 173.9278 41 W 4.0843 8.2981 133.7685 56.8194 31.4960 176.9171 42 N 4.2809 8.3971 123.0378 56.2907 37.8156 175.9424 43 A 4.1808 8.4583 121.9313 55.0387 18.6173 178.9211 44 V 3.7259 8.0174 114.7368 66.0729 32.0061 177.5929 45 L 4.0553 8.2074 117.7316 58.1728 41.0726 178.5861 46 K 4.5564 8.4776 118.7989 57.0763 32.8757 177.8667 47 L 4.5472 7.8784 123.6767 56.2914 44.2973 177.3859 48 Q 4.4520 7.8399 117.2858 56.3942 27.7474 177.6660 49 T 4.7057 7.2821 106.5907 59.7403 68.8081 172.7409 50 L 4.5994 7.6320 123.1413 56.6100 46.5206 175.8017 51 P 4.0097 0.0000 0.0000 63.7931 32.5291 177.4330 52 R 3.9338 7.8333 118.9943 56.7271 29.9000 176.1468 53 D 4.5581 8.5330 115.5547 55.1482 42.0466 176.1753 54 S 4.6072 7.7325 112.2011 58.8265 63.5484 173.9713 55 S 4.0754 7.8586 114.5503 58.0723 62.8960 172.4055 56 P 4.2319 0.0000 0.0000 66.1756 31.1956 178.6439 57 S 4.2002 7.8761 112.9803 59.6091 62.7028 174.6376 58 R 4.4397 7.7099 119.3473 56.2094 29.8096 175.9510 59 Q 4.7274 7.7533 116.1658 54.3101 31.4739 175.2967 60 R 4.4241 9.0190 116.7110 54.9625 31.6849 175.1987 61 N 4.6702 8.9020 118.1544 54.4597 36.8087 173.6513 62 R 3.8717 8.5602 118.8438 54.9730 29.9822 175.6665 63 C 4.1044 7.7505 118.8142 59.3820 31.7625 174.1072 64 R 3.7953 8.2426 128.7798 59.5345 29.2194 177.0421 65 Q 3.6714 7.4954 116.1169 60.0508 29.1521 178.1976 66 T 4.0547 7.5508 110.2344 63.5381 70.6431 174.2617 67 G 4.0250 7.1906 110.5475 44.5943 0.0000 172.1851 68 R 4.6688 7.6426 119.9451 53.8959 33.6215 172.7231 69 P 5.1912 0.0000 0.0000 61.4434 32.2342 177.0010 70 H 3.7508 9.7604 114.3160 56.5186 28.4513 175.4040 71 G 3.8986 9.0653 113.9303 47.8872 0.0000 173.5224 72 F 5.1243 8.3946 123.0416 55.9572 44.0208 175.3894 73 L 4.5650 9.1643 112.7299 55.1982 43.4667 176.5635 74 R 3.6632 8.2034 121.9714 58.9480 30.2713 177.4138 75 K 3.5495 7.4905 116.3799 60.3440 31.9607 177.3201 76 F 4.5368 7.2815 117.0151 58.3084 39.6327 177.5103 77 G 4.4652 9.0806 108.4990 45.8370 0.0000 172.8477 78 L 4.7357 7.2539 118.1875 51.9223 44.6899 176.6321 79 S 4.8247 8.4024 115.0736 57.4270 63.8106 175.3627 80 R 3.9484 8.5879 117.3108 59.6396 28.8290 178.3519 81 I 3.8781 7.3210 119.5336 63.2334 37.1075 177.7726 82 K 3.8375 8.1680 118.5097 60.4096 32.1707 178.7025 83 V 3.4005 7.9288 117.6533 66.2800 31.2194 177.6661 84 R 3.8336 7.9652 116.3219 59.8989 29.8220 178.1989 85 E 3.7774 8.2613 116.5988 59.8786 29.7827 179.0277 86 A 4.2219 8.1874 119.5459 53.9845 18.9188 179.0043 87 A 3.7815 8.1803 119.3631 56.0597 18.3625 179.4707 88 M 4.2029 7.9006 116.2026 57.9652 31.7264 178.2910 89 R 4.3532 8.0687 116.5349 55.7350 28.4269 177.4258 90 G 4.2282 7.7110 106.7722 46.4322 0.0000 175.9385 91 E 4.0155 7.6944 119.7574 57.6794 28.9730 177.0235 92 I 4.3449 6.9959 120.1338 58.4117 38.9254 172.9632 93 P 4.5600 0.0000 0.0000 63.6071 31.9273 175.0110 94 G 4.1132 9.0310 111.2869 45.2331 0.0000 173.6838 95 L 3.9597 6.7878 118.0484 55.3092 42.2694 175.8736 96 K 4.4637 8.1292 125.1851 54.9498 35.3125 174.8366 97 K 4.0387 8.4887 119.6379 55.6324 31.2690 177.3943 98 A 4.4335 8.5761 128.6888 51.8370 17.9047 176.4761 99 S 4.5527 8.3466 115.7000 57.0749 66.3436 174.3465 100 W 4.0658 7.9541 117.8153 57.5633 27.2121 174.1954 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 8.21 4.46 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 7.76 3.49 0.00 2.02 1.84 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 Q 7.61 3.61 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 4 S 7.97 4.03 0.00 3.86 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 5 M 8.03 4.14 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 6 K 8.81 3.99 0.00 2.04 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 7 A 8.42 4.12 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 8 R 7.64 3.89 0.00 2.07 2.00 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 9 E 8.16 4.00 0.00 2.04 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 2.41 2.38 0.00 10 V 7.18 3.66 2.22 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 1.04 0.00 0.00 0.99 0.00 0.00 11 K 7.75 4.12 0.00 1.84 1.83 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 12 R 7.67 3.89 0.00 1.99 2.07 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 13 V 9.00 3.69 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 0.97 0.00 0.00 0.98 0.00 0.00 14 A 7.54 4.84 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 15 L 8.11 3.92 0.00 1.90 1.65 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.90 4.42 1.57 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 0.00 0.00 17 D 8.00 4.53 0.00 3.04 2.67 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 18 K 8.15 4.58 0.00 1.80 1.88 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 19 Y 7.94 4.34 0.00 3.10 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 20 F 7.95 4.24 0.00 3.30 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 21 A 8.83 4.40 1.16 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 0.00 0.00 22 K 9.30 4.02 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.46 7.81 23 R 7.95 3.79 0.00 1.78 1.90 0.00 2.93 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 24 A 8.06 4.37 1.68 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.82 4.11 0.00 2.25 2.02 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 2.36 2.48 0.00 26 L 7.72 3.93 0.00 1.91 1.80 1.01 0.69 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 27 K 7.66 3.76 0.00 1.95 1.81 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.68 7.81 28 A 7.65 4.85 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 29 I 7.57 4.15 2.05 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 1.09 0.92 0.00 0.00 30 I 8.78 4.39 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 1.30 0.87 1.06 0.00 0.00 31 S 7.60 4.69 0.00 3.85 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 0.00 32 D 7.44 4.93 0.00 2.79 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 33 V 8.20 3.94 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 0.72 0.00 0.00 0.94 0.00 0.00 34 N 8.24 4.78 0.00 2.86 2.80 0.00 0.00 7.19 7.35 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 35 A 8.04 3.92 1.26 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 0.00 0.00 0.00 *40 R 7.48 4.30 0.00 1.86 2.01 0.00 3.46 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 41 W 8.30 4.08 0.00 3.50 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 42 N 8.40 4.28 0.00 2.40 2.76 0.00 0.00 7.02 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 43 A 8.46 4.18 1.53 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 44 V 8.02 3.73 2.36 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 1.18 0.00 0.00 1.05 0.00 0.00 45 L 8.21 4.06 0.00 1.84 1.62 1.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.48 4.56 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 47 L 7.88 4.55 0.00 1.77 1.83 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.84 4.45 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.76 0.00 49 T 7.28 4.71 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 1.23 0.00 0.00 50 L 7.63 4.60 0.00 1.76 1.79 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.01 0.00 2.40 1.79 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 52 R 7.83 3.93 0.00 2.06 1.78 0.00 3.24 0.00 0.00 3.27 7.94 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 8.53 4.56 0.00 2.65 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 7.73 4.61 0.00 3.72 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.08 0.00 3.98 3.77 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 56 P 0.00 4.23 0.00 2.10 2.03 0.00 3.33 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 57 S 7.88 4.20 0.00 3.82 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 58 R 7.71 4.44 0.00 2.03 1.93 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 59 Q 7.75 4.73 0.00 1.97 1.98 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 2.25 2.56 0.00 60 R 9.02 4.42 0.00 1.63 2.18 0.00 3.39 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 61 N 8.90 4.67 0.00 2.83 3.18 0.00 0.00 6.98 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 8.56 3.87 0.00 2.01 1.97 0.00 3.46 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 63 C 7.75 4.10 0.00 2.89 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 64 R 8.24 3.80 0.00 1.78 1.96 0.00 3.43 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 65 Q 7.50 3.67 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 66 T 7.55 4.05 4.22 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 1.19 0.00 0.00 67 G 7.19 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 0.00 0.00 0.00 68 R 7.64 4.67 0.00 1.74 1.66 0.00 3.14 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 69 P 0.00 5.19 0.00 2.34 2.06 0.00 3.99 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 2.15 2.08 0.00 70 H 9.76 3.75 0.00 3.26 3.22 0.00 5.92 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 9.07 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 0.00 0.00 0.00 72 F 8.39 5.12 0.00 3.08 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 9.16 4.56 0.00 1.82 1.47 1.15 0.88 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 74 R 8.20 3.66 0.00 1.75 1.90 0.00 3.33 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 75 K 7.49 3.55 0.00 1.26 0.74 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.99 1.25 7.81 76 F 7.28 4.54 0.00 3.22 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 77 G 9.08 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.74 0.00 1.50 1.55 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.40 4.82 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 80 R 8.59 3.95 0.00 2.04 2.28 0.00 2.98 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 81 I 7.32 3.88 1.84 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 1.62 0.49 0.89 0.00 0.00 82 K 8.17 3.84 0.00 1.82 1.87 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.50 7.81 83 V 7.93 3.40 2.29 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 0.96 0.00 0.00 1.23 0.00 0.00 84 R 7.97 3.83 0.00 1.99 2.08 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 85 E 8.26 3.78 0.00 2.08 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 2.45 2.50 0.00 86 A 8.19 4.22 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 87 A 8.18 3.78 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 88 M 7.90 4.20 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 89 R 8.07 4.35 0.00 1.98 1.92 0.00 3.24 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 90 G 7.71 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 0.00 0.00 0.00 0.00 91 E 7.69 4.02 0.00 1.93 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 2.40 2.39 0.00 92 I 7.00 4.34 1.68 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.69 0.00 0.00 93 P 0.00 4.56 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 94 G 9.03 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 6.79 3.96 0.00 1.55 1.56 0.93 0.65 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 96 K 8.13 4.46 0.00 1.72 1.68 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.48 7.81 97 K 8.49 4.04 0.00 1.82 1.80 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.39 7.81 98 A 8.58 4.43 1.54 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 0.00 0.00 99 S 8.35 4.55 0.00 3.88 3.77 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 0.00 100 W 7.95 4.07 0.00 3.38 3.20 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 * Residues marked with a * may have inaccurate shift predictions.