NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7170 8.2827 118.1259 52.4846 41.0998 175.5921 6 L 3.7300 8.0299 120.9971 57.5665 42.0602 173.5715 7 V 3.6057 7.8642 117.9685 65.6529 31.9672 177.1008 8 E 3.8202 8.0203 118.7145 59.4840 29.4419 178.6537 9 T 3.9043 7.8215 114.5128 66.9730 68.5396 176.3898 10 T 4.0122 8.2135 117.8706 67.0676 68.5969 176.1572 11 C 4.3463 8.1740 120.1792 60.0399 39.9009 176.8997 12 K 4.4627 8.0730 125.0713 59.3238 31.2708 181.3039 13 N 4.9806 7.6503 115.8059 53.5653 38.6999 174.2207 14 T 4.6469 7.4733 106.0168 58.6342 71.2170 172.6382 15 P 4.3763 0.0000 0.0000 64.6294 31.6112 176.9256 16 N 4.8395 7.8660 115.9591 50.8127 39.9552 173.6652 17 Y 4.5686 8.7104 126.4065 60.0159 38.8806 177.4487 18 Q 4.0194 8.2292 118.0636 59.0841 29.0281 178.3975 19 L 3.7282 8.1258 120.6637 58.2190 42.1017 178.2303 20 C 4.1453 8.2569 118.3560 59.6875 44.8087 175.4743 21 L 3.8029 8.0848 120.7547 57.6557 41.3443 179.4615 22 K 3.8827 8.7895 120.2220 59.8089 31.8935 178.9342 23 T 3.8423 7.5416 114.4045 66.5941 68.7262 176.4292 24 L 4.1120 7.8743 120.6566 58.0145 41.5227 179.7873 25 L 4.2208 7.7995 117.1855 57.5857 41.5560 179.0530 26 S 4.4889 7.6788 111.7205 58.0138 62.9817 173.1770 27 D 4.8654 8.0674 123.1113 51.5454 43.1634 176.6123 28 K 3.9381 8.7998 125.9883 59.6706 31.9911 179.0735 29 R 3.8939 8.5139 117.8733 58.1720 28.4474 178.9332 30 S 4.0868 8.2719 114.9130 61.2837 62.7873 176.1019 31 A 4.2913 7.3900 123.6040 54.3845 18.1158 178.1412 32 T 4.4215 7.2390 104.6348 61.6961 70.9012 175.2026 33 G 3.7159 7.9565 111.1093 45.4592 0.0000 173.4957 34 D 4.6949 8.3098 121.7449 52.3297 42.3018 177.4121 35 I 3.7228 8.1540 119.0698 64.4890 36.8203 178.7862 36 T 3.9633 7.9217 116.6537 66.7664 68.3947 176.8552 37 T 3.9011 8.2317 117.8083 66.4201 68.3058 176.7637 38 L 3.9590 8.1870 120.9518 57.8101 41.5762 179.4981 39 A 3.9973 7.8721 120.5043 55.1297 18.3180 179.6679 40 L 3.9680 8.2191 117.8926 57.8817 41.6266 179.6899 41 I 3.7009 7.9143 119.8215 64.6282 37.0211 178.2779 42 M 3.9833 7.7681 119.3551 58.4635 31.7957 178.7273 43 V 3.5930 7.5134 117.9180 66.4495 31.6625 177.6947 44 D 4.3771 8.2986 118.0761 57.4014 40.5900 178.7875 45 A 4.0492 7.9921 121.3119 54.9590 18.3030 179.7932 46 I 3.6695 8.2176 118.8607 64.4974 37.2261 178.5226 47 K 3.9150 8.4968 120.6342 59.3304 32.0441 178.6988 48 A 3.9676 7.9809 120.9610 55.2657 18.4673 179.8752 49 K 4.1504 7.9867 116.3849 59.4290 32.0485 179.5695 50 A 4.3085 8.4571 121.5552 55.1904 18.2986 179.4601 51 N 4.2791 8.2586 115.0637 56.6069 38.6411 177.5273 52 Q 3.9374 7.9511 118.7327 59.0004 28.7966 179.0506 53 A 3.6089 7.7516 120.9285 54.7183 18.2795 179.4105 54 A 3.6786 7.5791 119.3113 55.4284 18.5418 180.1033 55 V 3.4718 7.6219 116.5673 66.1496 31.5138 178.4066 56 T 3.8454 7.5357 115.4766 66.2998 68.4970 176.7607 57 I 3.2503 7.4971 122.0299 64.4120 36.8488 178.3317 58 S 3.9780 7.7244 112.1675 61.2887 62.1180 175.3664 59 K 3.9481 7.7991 122.2263 59.9971 31.9283 178.5212 60 L 4.0992 8.0072 118.7588 57.7168 41.3261 179.6267 61 R 3.9874 8.0076 117.3844 58.9042 30.0421 177.7566 62 H 4.7241 7.6739 112.5545 55.7219 29.1526 175.6324 63 S 4.7052 7.6338 116.7514 58.4872 63.6361 174.2668 64 N 4.0674 8.2851 114.0435 53.8317 35.2057 171.6271 65 P 4.5939 0.0000 0.0000 60.8352 33.2704 175.1671 66 P 4.0261 0.0000 0.0000 62.9045 31.7878 177.5261 67 A 3.9785 8.7468 123.8883 55.3848 18.0951 179.8221 68 A 4.1337 7.9501 117.2351 54.3174 18.7513 178.7410 69 W 4.7538 8.4668 117.1885 57.6259 29.5746 178.5706 70 K 4.1851 8.1224 119.7496 59.7343 31.9801 179.5168 71 G 3.4447 7.9940 106.3570 47.1599 0.0000 173.4490 72 P 3.2308 0.0000 0.0000 65.0481 31.1748 178.6356 73 L 4.2097 8.3413 117.7699 57.5033 41.5141 179.4607 74 K 3.7455 7.8596 119.1529 59.7000 32.2569 178.7172 75 N 4.7111 8.3138 116.7124 56.4606 38.3575 176.8524 76 C 4.5611 8.5800 117.8844 59.9160 41.5240 175.6335 77 A 3.9980 8.1732 122.4944 55.5538 17.8953 179.6536 78 F 4.4695 8.1259 116.1393 60.9330 39.0070 178.1105 79 S 4.2709 8.3290 113.6186 61.5253 62.9787 176.1302 80 Y 3.8797 8.4883 120.6542 60.5069 37.5665 178.2357 81 K 3.9992 8.4630 120.8695 59.5042 32.2140 179.0895 82 V 3.5826 7.9300 118.4803 66.1000 31.5361 177.9252 83 I 3.7271 7.6894 120.8709 63.6938 36.6813 178.1858 84 L 4.1945 7.8694 118.6889 56.9488 41.9045 178.5403 85 T 4.3270 7.8708 107.6250 62.3380 69.6770 175.0776 86 A 4.5615 8.1635 121.4192 53.6921 20.3324 178.4262 87 S 4.0211 7.8042 112.3432 61.7810 63.1045 176.9676 88 L 4.0433 7.8718 121.6925 57.1773 41.5374 177.6089 89 P 4.3282 0.0000 0.0000 66.0852 30.9039 178.2544 90 E 3.9398 8.3145 118.0131 59.1840 29.3666 179.1692 91 A 4.0615 7.9930 120.8379 54.9230 18.3463 179.4101 92 I 3.6545 8.3448 121.4000 65.4038 37.2901 178.6822 93 E 3.9360 8.2311 118.4418 61.5367 29.3445 181.4792 94 A 4.2178 7.8663 121.0863 54.9286 18.2324 179.8462 95 L 3.9533 7.5452 116.2097 58.2036 41.7868 179.6223 96 T 4.1582 7.9881 115.0769 65.7411 69.1044 176.6876 97 K 4.6596 8.0115 119.2091 54.5084 32.9046 174.8147 98 G 3.9303 7.6561 108.4260 46.1830 0.0000 170.9930 99 D 4.6350 8.7087 119.7597 52.3056 41.9906 174.2507 100 P 5.1137 0.0000 0.0000 62.2204 34.7234 175.1683 101 K 3.8241 9.4784 129.1166 56.6008 29.4544 175.1088 *102 F 4.2279 5.5319 124.9234 62.0643 38.5128 178.5832 103 A 4.2806 7.9747 118.5168 54.7323 18.0773 178.8929 104 E 3.9415 7.9751 118.2287 59.4476 29.6401 178.3580 105 D 4.4792 7.9195 119.0443 57.7401 40.9387 179.4986 106 G 3.6697 8.0646 104.8332 47.5465 0.0000 175.1570 107 M 4.2429 7.6397 120.8449 56.8884 32.1654 178.7540 108 V 3.6366 8.0580 118.9362 65.9584 31.6979 178.3590 109 G 3.5839 8.1294 105.6555 47.8488 0.0000 175.8585 110 S 4.0647 7.8928 116.7036 61.0126 62.9322 176.5442 111 S 4.2082 8.1455 116.9770 61.1147 62.1419 176.4429 112 G 3.5859 8.2762 108.5438 47.6741 0.0000 175.5521 113 D 4.2827 8.2657 121.1461 57.0066 40.8958 178.4407 114 A 4.0157 7.8016 121.2124 55.4812 18.4725 179.5110 115 Q 3.8454 7.8644 117.6927 59.2570 28.8983 178.0214 116 E 3.7755 8.0736 119.3888 59.1188 29.6941 177.4255 117 C 4.5885 8.4123 118.8178 60.1041 41.5190 175.3097 118 E 3.8660 8.3385 120.4875 59.4173 29.0040 178.5869 119 E 3.9173 7.9401 118.2950 59.2184 29.1248 178.8578 120 Y 4.1043 6.9280 116.2445 60.5942 37.8699 176.9625 121 F 4.2787 7.2818 115.2074 56.7691 39.1254 175.3790 122 K 3.7630 7.3777 121.6503 56.9493 32.0028 176.9572 123 G 4.9249 8.9995 124.8835 47.8052 0.0000 170.1004 124 S 4.6239 7.4730 118.3007 57.1000 64.1813 175.1160 *125 K 4.3870 8.4401 131.7129 53.1454 32.2333 173.6707 *126 S 4.4240 7.9550 121.2337 56.4926 62.7555 170.1712 127 P 4.5493 0.0000 0.0000 64.5017 31.6399 177.2635 128 F 4.8903 7.4074 113.1389 56.1077 38.6486 176.7859 129 S 3.9491 7.8029 119.0353 61.4586 62.0099 175.8692 130 A 3.9876 7.9923 122.5049 55.2946 18.0198 179.5436 131 L 3.9635 7.8318 116.7295 57.9545 41.9082 178.9000 132 N 4.8230 7.9910 117.4828 56.0917 38.6057 177.5446 133 I 3.7918 8.0031 120.5749 64.0951 37.1353 178.4289 134 A 4.0155 8.0206 121.6239 55.1671 18.2974 179.7735 135 V 3.6044 7.9754 116.7724 66.3622 31.5909 177.6747 136 H 4.1146 8.3834 117.8245 59.4751 29.7890 177.1836 137 E 3.9358 8.3166 120.2894 59.3561 29.3623 179.2403 138 L 4.0425 8.4833 119.3683 57.8421 41.5082 179.8987 139 S 4.1415 7.9499 114.7421 61.6397 62.8717 176.3615 140 D 4.3062 8.0023 121.6112 57.2534 40.4789 179.0936 141 V 3.7072 7.9963 119.1144 65.6948 31.4146 178.3030 142 G 3.6291 8.1435 105.5984 47.8644 0.0000 175.6930 143 R 3.8567 8.3339 120.7155 58.9874 29.9387 178.6685 144 A 4.0201 7.6807 119.2538 55.7540 18.0589 179.4643 145 I 4.0259 7.7853 119.2137 64.0394 37.2414 178.9007 146 V 3.7202 7.7490 121.4134 66.4182 31.1222 178.7581 147 R 4.0005 8.2865 120.2080 61.3120 28.7931 180.9033 148 N 4.6633 7.8120 114.5742 56.6757 38.4202 175.1405 149 L 4.1707 7.6246 122.6735 55.0166 41.6948 176.8845 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 5 N 8.28 4.72 0.00 2.78 2.93 0.00 0.00 6.62 5.85 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 6 L 8.03 3.73 0.00 1.82 1.66 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.86 3.61 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 0.90 0.00 0.00 0.90 0.00 0.00 8 E 8.02 3.82 0.00 2.09 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 2.55 2.51 0.00 9 T 7.82 3.90 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 1.23 0.00 0.00 10 T 8.21 4.01 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 11 C 8.17 4.35 0.00 2.61 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 12 K 8.07 4.46 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.32 7.81 13 N 7.65 4.98 0.00 2.67 2.84 0.00 0.00 7.08 7.39 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 14 T 7.47 4.65 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 1.27 0.00 0.00 15 P 0.00 4.38 0.00 2.07 2.16 0.00 3.65 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 2.02 2.07 0.00 16 N 7.87 4.84 0.00 2.72 2.65 0.00 0.00 6.64 7.44 0.00 0.00 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 Y 8.71 4.57 0.00 3.09 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 18 Q 8.23 4.02 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 19 L 8.13 3.73 0.00 1.80 1.79 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.26 4.15 0.00 3.10 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 21 L 8.08 3.80 0.00 1.79 1.60 0.51 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.79 3.88 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 23 T 7.54 3.84 4.37 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 0.00 0.00 0.00 1.20 0.00 0.00 24 L 7.87 4.11 0.00 1.65 1.68 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.80 4.22 0.00 1.67 1.72 0.89 0.77 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 26 S 7.68 4.49 0.00 4.00 3.89 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 0.00 0.00 0.00 0.00 27 D 8.07 4.87 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 3.94 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 29 R 8.51 3.89 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 30 S 8.27 4.09 0.00 4.03 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 0.00 31 A 7.39 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.24 4.42 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 1.21 0.00 0.00 33 G 7.96 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.69 0.00 2.96 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 35 I 8.15 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.94 0.90 0.00 0.00 36 T 7.92 3.96 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 1.23 0.00 0.00 37 T 8.23 3.90 4.46 0.00 0.00 0.00 0.00 0.00 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 38 L 8.19 3.96 0.00 1.86 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.87 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 3.97 0.00 1.84 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.91 3.70 2.02 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 1.66 0.73 0.94 0.00 0.00 42 M 7.77 3.98 0.00 1.96 2.29 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 2.60 2.85 0.00 43 V 7.51 3.59 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 1.11 0.00 0.00 1.00 0.00 0.00 44 D 8.30 4.38 0.00 3.00 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 45 A 7.99 4.05 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 46 I 8.22 3.67 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.94 0.00 0.00 47 K 8.50 3.91 0.00 1.90 2.03 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 48 A 7.98 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.15 0.00 1.97 1.93 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.63 7.81 50 A 8.46 4.31 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 51 N 8.26 4.28 0.00 3.08 2.87 0.00 0.00 7.01 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 52 Q 7.95 3.94 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 53 A 7.75 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.58 3.68 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 55 V 7.62 3.47 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 0.97 0.00 0.00 0.90 0.00 0.00 56 T 7.54 3.85 4.00 0.00 0.00 0.00 0.00 0.00 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 57 I 7.50 3.25 1.69 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.36 0.79 0.00 0.00 58 S 7.72 3.98 0.00 3.91 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 59 K 7.80 3.95 0.00 1.91 2.02 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 60 L 8.01 4.10 0.00 1.89 1.78 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.01 3.99 0.00 1.83 1.87 0.00 3.24 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 62 H 7.67 4.72 0.00 3.11 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.63 4.71 0.00 4.04 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 64 N 8.29 4.07 0.00 2.79 2.80 0.00 0.00 7.16 8.02 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 65 P 0.00 4.59 0.00 2.38 2.24 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 66 P 0.00 4.03 0.00 1.37 1.49 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.56 0.00 67 A 8.75 3.98 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 68 A 7.95 4.13 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 69 W 8.47 4.75 0.00 3.61 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.19 0.00 2.02 2.12 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 71 G 7.99 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.23 0.00 1.90 0.90 0.00 3.58 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 2.01 1.58 0.00 73 L 8.34 4.21 0.00 1.79 1.76 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.86 3.75 0.00 1.86 1.98 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.14 7.81 75 N 8.31 4.71 0.00 2.90 3.06 0.00 0.00 7.09 7.28 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 76 C 8.58 4.56 0.00 3.39 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 77 A 8.17 4.00 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 78 F 8.13 4.47 0.00 3.37 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 79 S 8.33 4.27 0.00 4.09 4.35 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 80 Y 8.49 3.88 0.00 3.17 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 81 K 8.46 4.00 0.00 2.16 2.01 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.69 7.81 82 V 7.93 3.58 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 1.05 0.00 0.00 1.03 0.00 0.00 83 I 7.69 3.73 1.94 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 0.90 0.00 0.00 84 L 7.87 4.19 0.00 1.77 1.76 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.87 4.33 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 1.28 0.00 0.00 86 A 8.16 4.56 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 87 S 7.80 4.02 0.00 4.00 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 88 L 7.87 4.04 0.00 1.73 1.71 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.33 0.00 2.26 2.32 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 90 E 8.31 3.94 0.00 2.30 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 2.33 2.35 0.00 91 A 7.99 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 3.65 2.08 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 1.38 0.72 0.91 0.00 0.00 93 E 8.23 3.94 0.00 2.00 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 2.25 2.23 0.00 94 A 7.87 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.55 3.95 0.00 1.80 1.74 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.99 4.16 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 1.21 0.00 0.00 97 K 8.01 4.66 0.00 1.84 1.80 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 98 G 7.66 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 99 D 8.71 4.64 0.00 2.76 2.55 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 0.00 100 P 0.00 5.11 0.00 2.18 2.00 0.00 3.91 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 101 K 9.48 3.82 0.00 1.88 1.69 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 0.99 7.81 *102 F 5.53 4.23 0.00 2.27 2.33 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 0.00 103 A 7.97 4.28 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 0.00 104 E 7.98 3.94 0.00 2.08 1.96 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 2.30 2.35 0.00 105 D 7.92 4.48 0.00 2.80 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 0.00 106 G 8.06 3.67 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 0.00 0.00 0.00 107 M 7.64 4.24 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 108 V 8.06 3.64 2.23 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 1.00 0.00 0.00 0.95 0.00 0.00 109 G 8.13 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.06 0.00 3.99 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 0.00 111 S 8.15 4.21 0.00 3.97 4.04 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 0.00 112 G 8.28 3.59 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 0.00 0.00 0.00 113 D 8.27 4.28 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 0.00 114 A 7.80 4.02 1.49 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 0.00 115 Q 7.86 3.85 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 116 E 8.07 3.78 0.00 1.99 2.12 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 2.14 2.16 0.00 117 C 8.41 4.59 0.00 3.34 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.34 3.87 0.00 2.27 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 2.26 2.37 0.00 119 E 7.94 3.92 0.00 2.01 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 2.39 2.37 0.00 120 Y 6.93 4.10 0.00 1.85 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 0.00 0.00 0.00 121 F 7.28 4.28 0.00 2.78 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 0.00 122 K 7.38 3.76 0.00 1.93 1.78 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.41 7.81 123 G 9.00 4.92 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 0.00 0.00 0.00 124 S 7.47 4.62 0.00 4.29 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 8.44 4.39 0.00 1.76 1.61 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 0.98 7.81 *126 S 7.96 4.42 0.00 3.65 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 0.00 127 P 0.00 4.55 0.00 2.14 2.20 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 128 F 7.41 4.89 0.00 3.12 3.05 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 0.00 129 S 7.80 3.95 0.00 3.70 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 0.00 130 A 7.99 3.99 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 0.00 131 L 7.83 3.96 0.00 1.98 1.77 0.94 0.73 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 0.00 132 N 7.99 4.82 0.00 2.97 2.95 0.00 0.00 6.57 6.88 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 0.00 133 I 8.00 3.79 1.95 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 1.44 0.98 0.93 0.00 0.00 134 A 8.02 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.98 3.60 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.20 0.00 0.00 136 H 8.38 4.11 0.00 3.33 3.57 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.32 3.94 0.00 2.18 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 2.37 2.57 0.00 138 L 8.48 4.04 0.00 1.71 1.73 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.95 4.14 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 0.00 140 D 8.00 4.31 0.00 2.77 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 0.00 141 V 8.00 3.71 2.21 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 0.99 0.00 0.00 1.02 0.00 0.00 142 G 8.14 3.63 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 0.00 0.00 0.00 143 R 8.33 3.86 0.00 1.97 1.98 0.00 3.30 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 144 A 7.68 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.79 4.03 2.04 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 1.37 1.68 0.90 0.00 0.00 146 V 7.75 3.72 2.19 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 0.98 0.00 0.00 0.96 0.00 0.00 147 R 8.29 4.00 0.00 1.90 1.86 0.00 3.34 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 148 N 7.81 4.66 0.00 2.95 2.90 0.00 0.00 6.89 6.62 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 0.00 149 L 7.62 4.17 0.00 1.79 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.