NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.4555 8.1693 122.4857 55.4513 43.7802 175.9288 5 T 4.2915 7.7205 113.4461 60.5118 71.8903 170.0725 6 K 4.6314 8.8080 122.1487 55.3431 34.6285 177.0310 7 V 4.2900 7.7330 126.0856 61.0054 33.5403 175.2545 8 K 4.1619 8.6792 126.9608 56.9625 32.1625 175.3757 9 L 4.5386 9.4016 124.3658 55.6262 42.6898 179.0547 10 C 4.6280 7.3670 114.7079 57.6751 33.4976 172.3785 11 Q 5.0331 8.4448 115.4545 54.2570 31.9474 176.1740 12 L 3.8403 7.8934 122.0208 57.0804 42.2072 177.4707 13 D 4.7636 7.7507 116.8777 53.8807 39.7315 176.7329 14 D 4.7073 7.8050 119.4624 54.5278 43.2083 175.5498 15 L 4.5041 6.9292 116.9003 52.2741 44.2318 173.3643 *17 P 3.9505 0.0000 0.0000 64.0615 32.0782 177.4011 18 F 4.0479 8.5764 120.0238 57.9574 37.1879 174.8023 19 I 4.5820 7.4376 121.5584 59.0312 38.3096 175.6842 20 G 3.3579 9.2187 112.5022 45.8698 0.0000 171.8743 21 A 4.8004 8.2297 123.6498 50.1272 22.6653 175.3053 22 T 4.7403 8.4184 112.5423 60.9043 70.7398 174.3896 23 V 4.4083 9.0404 116.8972 59.7460 36.9733 174.0585 24 L 4.7765 8.2892 123.7597 53.7149 43.5470 176.1644 25 I 3.8144 7.7510 129.4075 60.0843 36.8103 175.9424 26 E 4.0567 9.6385 127.1246 57.2415 26.7990 176.3556 27 G 3.9522 8.5617 106.7493 45.1892 0.0000 173.9322 28 E 4.5240 7.6735 119.0390 54.7378 31.3626 174.9096 29 R 4.2585 8.3715 122.4607 55.6515 31.3599 175.0621 30 V 4.4110 8.7636 126.5864 60.7974 34.9905 173.8243 31 A 4.9223 9.0072 129.0361 50.2804 21.1208 175.5576 32 L 4.9227 9.1048 124.3825 53.6831 44.1018 176.2332 33 F 4.8146 9.4385 121.5363 55.7362 42.1772 173.2638 34 Y 4.7852 8.7263 126.1715 57.2985 40.2608 173.9220 35 I 4.0675 7.9801 127.5975 58.6213 39.6106 174.2482 36 P 3.7814 0.0000 0.0000 65.8703 30.2881 176.9257 37 D 4.4453 7.3206 118.1296 54.3858 39.5644 177.5688 38 S 3.9559 7.3816 117.0341 58.6306 64.1001 178.8415 39 G 3.9676 7.1814 107.8264 45.5615 0.0000 170.5836 40 V 4.6730 8.1818 120.7401 63.1093 32.4123 176.2515 41 Y 4.9010 9.4773 125.1401 56.1171 41.6588 174.3821 42 A 5.4006 8.7372 123.8949 50.4178 22.1041 175.4481 43 V 5.3518 8.7772 115.1853 59.2543 36.6034 175.0781 44 Q 4.6074 9.0826 122.1727 57.3206 28.8297 176.3797 45 D 4.6333 9.3363 121.4325 55.1812 42.5172 174.9686 46 W 4.9358 8.1890 128.6544 57.0187 31.9411 175.0800 47 D 4.3795 8.7666 128.7422 52.9438 40.7463 175.0667 48 P 4.4808 0.0000 0.0000 64.4940 31.4215 176.3344 49 I 4.4187 7.9274 119.9667 60.8142 40.0339 175.7624 50 G 3.9925 8.9175 113.6101 44.4886 0.0000 173.8109 51 K 2.6658 6.7694 110.6462 56.0451 29.4635 173.3511 52 A 3.7569 5.8000 122.0665 51.4064 21.6471 176.0191 53 Y 5.4861 8.7067 118.5216 56.6390 36.7564 175.4549 54 V 4.3463 7.4459 123.7222 59.2762 31.5579 176.7205 *56 S 4.2923 7.9213 121.0079 58.9585 65.0889 176.2723 57 R 4.4859 8.1367 118.8526 56.3558 29.8090 176.4438 58 G 4.4310 7.8018 105.3370 44.9096 0.0000 173.7943 59 I 4.2856 8.2337 122.8592 60.7474 38.5053 175.5083 60 V 4.1700 8.4334 120.7927 60.8018 32.2235 175.9937 61 G 3.8597 8.6436 114.3336 45.7426 0.0000 171.8774 62 D 4.8936 8.1829 117.1000 54.6611 44.0529 174.9754 63 I 4.1093 8.1305 128.6766 62.4492 38.4280 175.3071 64 N 4.5405 8.2883 121.5607 54.3659 39.5201 176.7319 65 G 4.2925 8.3947 105.9414 44.5360 0.0000 174.9299 66 E 4.3449 7.2117 124.9061 56.1141 28.4982 174.8698 *68 C 4.9797 8.3471 112.6449 57.8978 31.6917 172.7802 69 V 4.7962 8.9999 117.6860 59.7357 34.4805 174.3013 70 A 5.2174 8.7742 124.3274 49.9758 21.7513 175.9123 71 S 4.4796 8.8564 117.8543 57.8310 63.0644 173.7895 72 P 4.4482 0.0000 0.0000 65.0735 33.0689 177.6465 73 L 3.7506 8.1464 118.8633 56.5098 39.4727 177.9658 74 Y 4.2897 8.8822 124.6476 58.7417 38.8371 175.4557 75 K 4.4688 7.2118 118.0792 55.8036 29.6097 173.7127 76 Q 4.8433 7.5808 118.9220 53.9593 33.0884 173.9403 77 H 5.1346 8.2505 119.0448 54.9496 30.7449 174.2916 78 F 5.3487 9.3886 121.7545 55.3153 42.4657 174.4648 79 S 4.4641 9.0509 119.3615 58.3165 62.7101 174.9813 80 L 4.2434 8.9727 127.7660 56.8213 41.6856 177.6874 81 K 4.7110 7.9653 116.2032 56.0749 34.4388 176.6132 82 S 4.4278 8.2725 112.1162 57.6661 63.8899 176.0369 83 G 4.0617 8.5463 108.6349 45.9725 0.0000 173.6576 84 Q 4.3459 7.8547 121.1308 56.1730 30.0481 174.2242 85 C 5.0907 8.3064 123.0206 57.4713 32.8874 174.5519 86 L 4.0819 8.2349 127.6194 58.1376 41.2600 178.7384 87 E 4.1134 7.8968 115.2038 58.1459 29.7416 176.5511 88 D 4.5844 7.5070 116.8546 52.7074 44.1353 174.1238 89 E 3.9303 8.8804 126.8716 59.2999 30.0969 179.3085 90 A 3.9297 7.5578 122.2593 54.2299 19.1184 177.3295 91 H 4.9707 7.8137 112.1714 54.8170 30.7307 174.7750 92 C 5.0143 8.6469 123.3387 57.8204 33.5257 173.3813 93 L 4.1970 9.0492 127.2531 55.1468 42.2848 177.2054 94 K 4.4927 8.7965 122.2600 56.0954 33.7513 175.6520 95 T 5.5396 8.0624 114.3711 59.9247 71.8961 172.7407 96 W 4.6947 9.1228 122.2409 55.0319 32.7433 175.2106 97 R 4.5072 8.7079 121.4947 55.0981 30.9890 175.1525 98 V 4.6942 8.2234 126.3072 62.3402 33.8320 174.6622 99 T 4.5752 9.1219 117.5571 61.1706 71.1138 172.2704 100 V 5.0012 8.3689 126.8211 60.5742 34.2913 173.7188 101 D 4.7040 9.0400 125.3440 55.7329 42.6208 176.0771 102 D 4.7976 7.8598 115.0495 55.5045 42.5486 177.0544 103 N 4.7157 7.7218 112.0360 53.9778 43.8278 172.6608 104 Q 4.6042 7.9645 120.8311 55.5378 30.8499 174.2266 105 V 4.2708 8.4534 127.5702 62.6740 33.0058 174.6977 106 C 5.7277 9.5508 124.5106 57.7663 33.4117 172.0040 107 Y 5.4562 8.2743 116.3507 54.0472 41.7284 174.8463 108 L 4.5305 8.6037 120.1017 53.6106 42.0018 176.9620 109 A 3.9397 7.6969 125.0103 52.0333 17.8808 176.9925 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 4 L 8.17 4.46 0.00 1.60 1.61 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.72 4.29 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 1.18 0.00 0.00 6 K 8.81 4.63 0.00 1.58 1.73 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.34 7.81 7 V 7.73 4.29 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 1.08 0.00 0.00 0.82 0.00 0.00 8 K 8.68 4.16 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 L 9.40 4.54 0.00 1.63 1.53 1.17 0.79 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 10 C 7.37 4.63 0.00 2.88 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 11 Q 8.44 5.03 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.67 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 12 L 7.89 3.84 0.00 1.56 1.45 0.58 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.75 4.76 0.00 2.75 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 14 D 7.80 4.71 0.00 2.89 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 15 L 6.93 4.50 0.00 1.39 1.63 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *17 P 0.00 3.95 0.00 2.04 1.37 0.00 3.77 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 2.03 2.26 0.00 18 F 8.58 4.05 0.00 3.30 3.13 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 19 I 7.44 4.58 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.96 0.00 0.00 20 G 9.22 3.36 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 0.00 21 A 8.23 4.80 1.09 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 22 T 8.42 4.74 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 1.23 0.00 0.00 23 V 9.04 4.41 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 0.53 0.00 0.00 0.71 0.00 0.00 24 L 8.29 4.78 0.00 1.47 1.44 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.75 3.81 1.08 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.41 0.16 0.00 0.00 26 E 9.64 4.06 0.00 2.20 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 2.38 2.39 0.00 27 G 8.56 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.67 4.52 0.00 2.18 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 0.00 2.36 2.38 0.00 29 R 8.37 4.26 0.00 1.85 1.99 0.00 2.21 0.00 0.00 2.65 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.41 0.00 30 V 8.76 4.41 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.65 0.00 0.00 31 A 9.01 4.92 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 32 L 9.10 4.92 0.00 1.50 1.56 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.44 4.81 0.00 3.05 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 34 Y 8.73 4.79 0.00 3.04 2.85 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 35 I 7.98 4.07 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.87 0.00 0.00 36 P 0.00 3.78 0.00 2.06 1.98 0.00 3.14 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 37 D 7.32 4.45 0.00 2.82 2.74 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 38 S 7.38 3.96 0.00 4.00 4.15 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 39 G 7.18 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 40 V 8.18 4.67 2.20 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 0.93 0.00 0.00 1.11 0.00 0.00 41 Y 9.48 4.90 0.00 3.23 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 42 A 8.74 5.40 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 43 V 8.78 5.35 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 0.96 0.00 0.00 1.19 0.00 0.00 44 Q 9.08 4.61 0.00 2.33 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 45 D 9.34 4.63 0.00 2.84 2.83 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 46 W 8.19 4.94 0.00 3.40 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 47 D 8.77 4.38 0.00 2.53 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 0.00 0.00 0.00 48 P 0.00 4.48 0.00 2.27 2.26 0.00 3.43 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 2.01 1.90 0.00 49 I 7.93 4.42 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.68 0.91 0.00 0.00 50 G 8.92 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 0.00 0.00 0.00 51 K 6.77 2.67 0.00 1.87 1.91 0.00 2.03 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.59 7.81 52 A 5.80 3.76 0.97 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 53 Y 8.71 5.49 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.35 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 0.80 0.00 0.00 0.92 0.00 0.00 *56 S 7.92 4.29 0.00 3.77 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 57 R 8.14 4.49 0.00 1.96 2.02 0.00 3.33 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 58 G 7.80 4.43 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 0.00 0.00 0.00 59 I 8.23 4.29 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 1.36 0.56 0.89 0.00 0.00 60 V 8.43 4.17 1.93 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 0.13 0.00 0.00 1.01 0.00 0.00 61 G 8.64 3.86 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 0.00 0.00 0.00 62 D 8.18 4.89 0.00 2.52 2.38 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 63 I 8.13 4.11 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.86 0.00 0.00 64 N 8.29 4.54 0.00 2.77 2.74 0.00 0.00 6.92 8.37 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 65 G 8.39 4.29 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 0.00 66 E 7.21 4.34 0.00 2.07 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 2.25 2.24 0.00 *68 C 8.35 4.98 0.00 3.17 3.09 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 69 V 9.00 4.80 1.61 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 1.00 0.00 0.00 0.90 0.00 0.00 70 A 8.77 5.22 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 71 S 8.86 4.48 0.00 4.23 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 72 P 0.00 4.45 0.00 2.06 2.10 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 73 L 8.15 3.75 0.00 1.42 0.71 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.88 4.29 0.00 3.00 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 75 K 7.21 4.47 0.00 1.91 1.77 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.55 7.81 76 Q 7.58 4.84 0.00 1.70 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 77 H 8.25 5.13 0.00 2.96 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.39 5.35 0.00 2.95 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 79 S 9.05 4.46 0.00 3.97 3.84 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 0.00 0.00 0.00 80 L 8.97 4.24 0.00 1.57 1.74 0.60 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.97 4.71 0.00 2.01 1.91 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.54 7.81 82 S 8.27 4.43 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 0.00 0.00 0.00 84 Q 7.85 4.35 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 85 C 8.31 5.09 0.00 3.32 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 86 L 8.23 4.08 0.00 1.61 1.69 0.95 1.17 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 87 E 7.90 4.11 0.00 1.84 1.94 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 2.26 2.23 0.00 88 D 7.51 4.58 0.00 2.67 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 89 E 8.88 3.93 0.00 2.06 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 2.40 2.32 0.00 90 A 7.56 3.93 1.15 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 0.00 0.00 91 H 7.81 4.97 0.00 3.37 3.41 0.00 5.59 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 92 C 8.65 5.01 0.00 3.10 2.84 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 0.00 0.00 0.00 93 L 9.05 4.20 0.00 1.57 1.65 0.82 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.80 4.49 0.00 1.85 1.85 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.93 7.81 95 T 8.06 5.54 4.34 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 1.42 0.00 0.00 96 W 9.12 4.69 0.00 3.29 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 97 R 8.71 4.51 0.00 1.97 1.86 0.00 3.20 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 98 V 8.22 4.69 2.28 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 0.96 0.00 0.00 1.02 0.00 0.00 99 T 9.12 4.58 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 1.22 0.00 0.00 100 V 8.37 5.00 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 1.23 0.00 0.00 0.98 0.00 0.00 101 D 9.04 4.70 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 0.00 102 D 7.86 4.80 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.72 0.00 2.78 2.69 0.00 0.00 6.68 7.12 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 0.00 104 Q 7.96 4.60 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 105 V 8.45 4.27 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 0.90 0.00 0.00 0.88 0.00 0.00 106 C 9.55 5.73 0.00 2.95 2.84 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 0.00 0.00 0.00 107 Y 8.27 5.46 0.00 3.23 3.01 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 0.00 108 L 8.60 4.53 0.00 1.56 1.63 0.92 0.75 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 0.00 109 A 7.70 3.94 1.04 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.