NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3423 0.0000 0.0000 62.3978 32.7858 175.5309 3 R 4.2453 8.2927 122.1635 54.6853 31.5321 174.8149 4 A 4.4963 7.8741 125.0207 49.9889 20.6339 175.7523 5 K 4.1864 8.2729 119.8927 57.3089 33.5645 177.8083 6 T 4.0051 8.8350 117.6035 66.0647 69.7585 176.9487 7 G 3.7772 7.8182 106.6902 46.7534 0.0000 174.6171 8 V 3.4775 8.4631 125.5538 61.8466 31.9658 181.6646 9 V 2.5225 7.0633 113.9234 61.7119 34.8559 177.2058 10 R 3.5579 7.4833 117.4970 59.3675 30.7284 177.5504 11 R 3.9027 8.1401 117.2677 59.7406 30.3738 178.8271 12 R 3.9073 8.0385 116.9497 59.2866 30.0279 178.6178 13 K 3.8134 7.9030 118.0592 60.2587 32.1782 178.6240 14 H 4.1078 8.4868 116.5336 59.0438 28.5809 177.6691 15 K 4.0942 8.2688 120.0978 59.2063 32.5444 178.7631 16 K 3.5442 8.1921 120.6708 59.6473 32.1610 178.3811 17 I 3.9137 7.5807 119.4050 64.0986 37.3167 177.8864 18 L 3.9099 7.7103 119.5857 58.0237 41.1491 179.5833 19 K 3.7885 8.6346 118.8707 59.7885 31.9240 178.9672 20 L 4.1813 7.6632 115.8722 56.0673 41.5218 177.2420 21 A 4.0990 8.0348 122.2476 51.3051 19.6658 176.1240 22 K 4.0259 7.2343 118.7668 58.6499 32.8080 177.8431 23 G 3.9856 8.7672 109.8696 45.6248 0.0000 173.4484 24 Y 4.9994 7.3169 116.6941 57.1856 40.8626 175.0226 25 W 4.8489 8.4930 135.0000 56.9492 30.0583 179.5841 26 G 4.4936 9.4326 100.9376 46.4100 0.0000 174.0533 27 L 4.5809 8.8773 126.0152 54.5909 41.3924 178.3430 28 R 4.0736 7.8304 120.1616 58.6275 30.0551 177.6795 29 S 5.0294 8.1185 109.5843 57.6928 63.5156 174.5052 30 K 4.4393 7.7828 118.8963 57.4022 35.1994 176.8195 31 S 4.3436 9.8231 117.3854 58.0673 63.3862 176.0590 *32 F 4.3148 8.6938 121.4261 57.0451 37.7417 171.4380 33 R 4.8366 9.4568 118.7537 58.4895 36.1017 177.4387 34 K 3.7986 10.1398 118.2686 59.3770 31.7414 178.6648 35 A 4.4398 8.0982 118.2767 53.5191 18.6217 178.3135 36 R 3.8736 8.4517 117.2865 58.4610 31.0479 178.0083 37 E 4.0287 7.9451 117.6545 59.6641 29.2927 179.6253 38 T 3.8816 8.0638 115.8460 66.6613 68.8731 177.0104 39 L 4.1871 7.3756 119.7301 58.2631 41.4297 178.5959 40 F 4.7414 8.2476 118.8565 58.6853 38.4976 177.3788 41 A 3.7240 7.8919 122.0964 53.4325 19.0702 179.1471 42 A 4.3157 9.6196 112.8865 54.9497 17.5173 181.7461 43 G 3.4886 6.5514 113.4739 47.8195 0.0000 175.1329 44 N 4.3496 8.5214 120.0786 56.9060 38.9554 176.2959 45 Y 4.2647 8.6613 119.1459 61.3664 38.0221 178.5937 46 A 3.9577 7.6298 118.1248 55.5496 17.9645 178.9990 47 Y 4.3590 8.0847 117.0942 60.8760 38.8919 178.3720 48 A 3.7008 7.9930 121.0081 55.6429 18.7660 179.1843 49 H 4.4413 9.1450 115.5431 59.0243 28.4931 178.2636 50 R 4.0764 8.2681 120.1973 58.8978 29.8692 179.1318 51 K 4.0169 7.4982 118.0933 59.6465 31.7645 179.5250 52 R 3.9956 8.4857 118.5896 59.2235 29.9240 178.7446 53 R 3.9097 8.2720 118.8702 59.6738 30.0854 178.1267 54 K 3.9586 7.8074 118.0294 60.0382 32.3713 179.3150 55 R 4.1085 7.7810 114.1401 59.0322 28.5509 178.3877 56 D 4.3610 9.2160 120.6437 56.9716 40.5288 178.7101 57 F 3.7776 8.3194 118.3946 60.6731 39.0777 177.5992 58 R 4.2552 7.8295 116.7283 60.4474 29.8299 178.3995 59 R 3.7273 8.3261 114.6024 60.4697 29.9541 179.5435 60 L 3.3725 7.4844 119.6002 57.4935 43.2680 178.9950 61 W 4.4565 8.4641 117.5140 60.8983 29.2313 178.8852 62 I 3.4018 8.4768 117.1990 64.4087 36.6013 177.8674 63 V 3.4652 8.1557 120.9057 66.4853 31.7092 178.6107 64 R 4.0386 8.6430 117.7895 60.0623 29.9205 178.1990 65 I 3.4401 7.9743 118.6959 64.3238 35.5437 177.4617 66 N 3.6956 8.0714 118.5295 56.3378 39.2389 175.8958 67 A 4.9305 7.5912 119.6025 51.4564 19.3800 177.3205 68 A 4.6806 8.9032 118.9730 54.4934 21.6647 177.6069 69 C 4.9089 8.0129 110.9255 58.2708 31.0961 175.2781 70 R 4.8981 7.5372 118.2321 56.7658 29.6645 176.2701 71 Q 4.5099 8.0842 114.2647 57.0536 29.6744 175.6888 72 H 4.8570 8.0764 115.0426 54.4992 30.5134 173.3085 73 G 3.8494 7.8868 109.4477 45.4025 0.0000 173.5228 74 L 3.9117 8.0772 117.8479 54.2419 42.6699 176.9085 75 N 4.8054 8.3989 116.1071 52.8864 38.9964 176.9449 76 Y 3.5809 8.6445 122.2416 59.6291 41.0480 176.1765 77 S 4.1852 8.2731 114.7041 62.4240 62.6444 176.0000 78 T 3.8989 8.4746 120.2441 66.0030 68.0494 176.1535 79 F 3.8952 8.0680 121.5018 62.0483 39.8970 177.1485 80 I 3.4551 8.0707 119.7416 63.7398 36.7182 177.7030 81 H 4.0601 8.1511 118.7793 59.6886 29.9703 177.6417 82 G 3.8628 7.6942 108.1061 46.8103 0.0000 175.4554 83 L 3.7234 7.8904 123.0534 57.8497 41.9634 178.8454 84 K 3.8335 7.7572 119.0754 59.1280 31.8885 178.5221 85 K 3.8114 8.2344 119.5812 59.1934 32.3044 178.5477 86 A 4.0995 8.0168 120.0952 53.3808 18.1947 178.1729 87 G 3.8455 7.5859 105.0771 45.6727 0.0000 174.1524 88 I 4.2913 7.7815 115.6649 58.4280 36.9856 175.2628 89 E 4.3003 8.3344 122.4712 57.3317 30.2848 180.4262 90 V 3.8334 7.4071 120.9178 62.5323 31.5559 176.7816 91 D 4.0072 9.5281 113.1858 56.8965 41.5653 174.5371 92 R 3.5417 12.0000 109.4455 59.7146 28.0923 177.3576 93 K 3.6925 8.0052 122.2123 59.8126 32.6884 176.1341 94 N 2.0000 8.5413 119.6684 55.9371 38.7423 175.9084 95 L 4.5882 7.3746 115.2384 55.0559 41.5572 178.4257 96 A 4.4024 7.7244 122.3255 52.1593 18.5116 179.4448 97 D 3.8650 7.4379 118.3763 55.8603 38.8972 178.7790 98 L 4.5983 8.2251 120.8353 57.5331 41.7051 178.3697 99 A 3.5854 8.0250 120.1797 54.8803 18.0595 179.1149 100 V 4.1255 7.3481 114.2190 63.3104 32.7168 175.8404 101 R 4.3127 8.5404 120.8192 56.0918 31.3937 175.0212 102 E 4.2162 8.7156 124.2735 56.6994 25.1269 174.2847 103 P 4.5742 0.0000 0.0000 64.8052 31.9554 178.1610 104 Q 4.0609 8.0168 116.8932 58.8158 28.9843 177.8392 105 V 3.8310 7.7439 120.1813 65.6211 31.5737 177.5202 106 F 4.2088 8.5032 119.7567 61.6409 39.1393 176.2616 107 A 3.9043 8.3345 119.5934 55.8751 18.0585 179.2605 108 E 3.8856 8.3055 115.1152 59.5317 29.6482 179.7232 109 L 3.8139 7.6220 118.7011 57.7898 41.5829 179.9213 110 V 3.5389 7.5020 118.1564 66.6163 31.4497 177.1481 111 E 4.0121 8.3455 118.2785 58.1281 28.6665 179.5682 112 R 3.7351 8.5548 117.7281 59.3655 30.5060 178.8645 113 A 3.9121 8.2342 121.2671 54.5552 18.4576 179.2567 114 K 4.1329 8.1290 115.7448 58.2320 32.9887 178.2061 115 A 4.2914 8.1674 121.0138 53.2205 19.0627 178.1347 116 A 4.2760 7.2843 116.9253 51.6648 18.9661 176.9296 117 Q 4.4707 7.2449 116.8639 53.6703 30.6693 176.0707 118 G 3.7293 8.6476 111.0389 45.7851 0.0000 173.0798 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 P 0.00 4.34 0.00 2.06 2.05 0.00 3.63 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 1.92 2.08 0.00 3 R 8.29 4.25 0.00 1.84 1.81 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 4 A 7.87 4.50 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 5 K 8.27 4.19 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 6 T 8.83 4.01 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 7 G 7.82 3.78 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 0.00 0.00 0.00 8 V 8.46 3.48 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 7.06 2.52 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 0.88 0.00 0.00 1.01 0.00 0.00 10 R 7.48 3.56 0.00 1.94 1.86 0.00 3.34 0.00 0.00 3.36 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 11 R 8.14 3.90 0.00 1.95 1.95 0.00 3.16 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 1.65 1.73 0.00 12 R 8.04 3.91 0.00 2.02 1.97 0.00 3.21 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 13 K 7.90 3.81 0.00 1.99 1.82 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 H 8.49 4.11 0.00 3.32 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.27 4.09 0.00 1.95 2.06 0.00 1.36 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.57 7.81 16 K 8.19 3.54 0.00 1.82 2.12 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.51 7.81 17 I 7.58 3.91 2.03 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 1.50 0.65 0.88 0.00 0.00 18 L 7.71 3.91 0.00 1.71 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.63 3.79 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 20 L 7.66 4.18 0.00 1.89 1.71 0.91 0.82 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 21 A 8.03 4.10 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 22 K 7.23 4.03 0.00 1.73 1.64 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.46 7.81 23 G 8.77 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 24 Y 7.32 5.00 0.00 3.05 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 25 W 8.49 4.85 0.00 3.45 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 0.00 0.00 0.00 26 G 9.43 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 4.58 0.00 1.80 1.71 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.83 4.07 0.00 2.07 2.22 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 29 S 8.12 5.03 0.00 3.92 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 30 K 7.78 4.44 0.00 1.71 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.33 7.81 31 S 9.82 4.34 0.00 4.02 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 *32 F 8.69 4.31 0.00 2.32 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 0.00 0.00 0.00 0.00 33 R 9.46 4.84 0.00 1.96 2.16 0.00 2.78 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 34 K 10.14 3.80 0.00 2.00 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.58 7.81 35 A 8.10 4.44 1.39 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 0.00 0.00 36 R 8.45 3.87 0.00 1.68 1.89 0.00 3.07 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.21 0.00 37 E 7.95 4.03 0.00 2.16 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 2.46 2.62 0.00 38 T 8.06 3.88 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 0.53 0.00 0.00 39 L 7.38 4.19 0.00 1.62 1.70 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.25 4.74 0.00 3.26 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 41 A 7.89 3.72 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 42 A 9.62 4.32 1.32 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 0.00 0.00 0.00 43 G 6.55 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.52 4.35 0.00 2.88 2.80 0.00 0.00 7.05 8.25 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 45 Y 8.66 4.26 0.00 3.09 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 46 A 7.63 3.96 1.43 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 47 Y 8.08 4.36 0.00 3.03 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 48 A 7.99 3.70 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 49 H 9.15 4.44 0.00 3.34 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.27 4.08 0.00 2.16 2.05 0.00 3.30 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 51 K 7.50 4.02 0.00 1.81 1.78 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.66 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.56 1.31 7.81 52 R 8.49 4.00 0.00 1.69 1.93 0.00 3.30 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 53 R 8.27 3.91 0.00 2.08 2.18 0.00 3.30 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 54 K 7.81 3.96 0.00 1.83 1.95 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.81 1.67 7.81 55 R 7.78 4.11 0.00 2.10 2.21 0.00 2.77 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 56 D 9.22 4.36 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 3.78 0.00 3.19 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 0.00 0.00 0.00 0.00 58 R 7.83 4.26 0.00 2.10 2.13 0.00 3.24 0.00 0.00 3.27 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 59 R 8.33 3.73 0.00 1.83 1.86 0.00 3.08 0.00 0.00 3.03 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 60 L 7.48 3.37 0.00 1.59 1.31 0.73 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.46 4.46 0.00 3.74 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 62 I 8.48 3.40 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 1.45 0.91 0.09 0.00 0.00 63 V 8.16 3.47 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 0.79 0.00 0.00 0.86 0.00 0.00 64 R 8.64 4.04 0.00 2.11 1.94 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 65 I 7.97 3.44 2.23 0.00 0.00 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 1.45 1.21 0.92 0.00 0.00 66 N 8.07 3.70 0.00 2.75 2.84 0.00 0.00 6.69 8.15 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 67 A 7.59 4.93 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 68 A 8.90 4.68 1.02 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 69 C 8.01 4.91 0.00 3.08 2.95 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 70 R 7.54 4.90 0.00 2.18 2.01 0.00 3.16 0.00 0.00 3.11 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 71 Q 8.08 4.51 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.20 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 72 H 8.08 4.86 0.00 3.11 3.25 0.00 5.78 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 73 G 7.89 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 0.00 0.00 0.00 74 L 8.08 3.91 0.00 1.98 1.90 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.40 4.81 0.00 2.97 3.02 0.00 0.00 7.08 6.86 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 76 Y 8.64 3.58 0.00 3.32 3.39 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 77 S 8.27 4.19 0.00 4.16 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 0.00 78 T 8.47 3.90 4.30 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 1.24 0.00 0.00 79 F 8.07 3.90 0.00 2.98 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 80 I 8.07 3.46 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.02 0.83 0.00 0.00 81 H 8.15 4.06 0.00 3.14 3.44 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.69 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 83 L 7.89 3.72 0.00 1.60 1.43 0.46 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.76 3.83 0.00 1.98 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.53 7.81 85 K 8.23 3.81 0.00 1.70 1.76 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 86 A 8.02 4.10 1.28 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 0.00 0.00 87 G 7.59 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 0.00 0.00 0.00 88 I 7.78 4.29 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.85 0.00 0.00 89 E 8.33 4.30 0.00 2.08 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 2.24 2.27 0.00 90 V 7.41 3.83 2.05 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 0.89 0.00 0.00 0.90 0.00 0.00 91 D 9.53 4.01 0.00 2.94 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 92 R 12.00 3.54 0.00 2.06 2.22 0.00 2.83 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 93 K 8.01 3.69 0.00 1.97 2.34 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.36 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.72 1.73 7.81 94 N 8.54 2.00 0.00 1.81 2.32 0.00 0.00 7.30 6.54 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 95 L 7.37 4.59 0.00 1.73 1.60 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.72 4.40 1.48 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 0.00 0.00 97 D 7.44 3.87 0.00 2.92 3.11 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 98 L 8.23 4.60 0.00 1.86 2.05 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.03 3.59 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 4.13 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 0.92 0.00 0.00 0.90 0.00 0.00 101 R 8.54 4.31 0.00 1.84 1.85 0.00 3.22 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 102 E 8.72 4.22 0.00 2.19 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 0.00 2.27 2.23 0.00 103 P 0.00 4.57 0.00 2.32 2.52 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 104 Q 8.02 4.06 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 105 V 7.74 3.83 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 1.05 0.00 0.00 0.96 0.00 0.00 106 F 8.50 4.21 0.00 3.13 3.25 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 0.00 107 A 8.33 3.90 1.47 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 0.00 108 E 8.31 3.89 0.00 2.13 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 2.32 2.36 0.00 109 L 7.62 3.81 0.00 1.45 1.55 1.02 1.08 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 0.00 110 V 7.50 3.54 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 1.02 0.00 0.00 0.61 0.00 0.00 111 E 8.35 4.01 0.00 2.10 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 2.38 2.33 0.00 112 R 8.55 3.74 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 113 A 8.23 3.91 1.01 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 0.00 0.00 114 K 8.13 4.13 0.00 1.99 2.04 0.00 1.39 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.42 7.81 115 A 8.17 4.29 1.29 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 0.00 116 A 7.28 4.28 1.29 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 0.00 117 Q 7.24 4.47 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 118 G 8.65 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.