NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4818 8.3349 116.7915 58.7084 64.2565 173.7965 -1 N 4.7048 8.5117 125.2767 52.7682 39.7795 174.3038 0 A 4.7196 7.2911 134.8250 51.6802 18.4305 179.9406 0 K 4.7196 7.3411 131.4250 55.3802 32.4305 178.7406 3 Q 4.3848 8.3782 122.1566 54.0822 32.0102 174.3183 4 I 4.1382 8.2537 127.4675 61.0336 37.5379 175.9181 5 I 3.5467 8.1296 129.5683 61.1023 37.8584 176.4467 6 D 4.5497 8.4873 126.3746 52.7817 40.4303 176.5907 7 I 4.0239 8.2621 127.9638 64.3369 37.4938 178.6829 8 E 4.0732 8.4016 118.2554 58.9172 29.3447 177.4567 9 N 4.9269 7.9598 112.9066 52.5032 39.3849 174.2882 10 W 4.8319 8.0669 130.0897 56.2197 31.5674 177.1940 11 E 3.9806 9.0954 122.8288 58.8046 29.3198 177.7839 12 R 3.9059 6.0383 116.9297 55.4205 30.4436 177.3738 13 K 3.9378 7.5754 121.1342 60.1755 31.9897 178.4261 14 E 3.9772 8.0048 116.9067 59.1883 29.2680 178.4110 15 N 4.2129 7.9358 116.9899 56.2165 38.7374 176.8696 16 F 4.1177 8.5679 122.0110 61.5171 39.3485 176.9707 17 N 4.3332 8.3943 115.0652 55.9729 38.3037 176.8997 18 F 3.9316 7.7943 121.5552 61.2273 39.7090 176.8269 19 F 2.7310 7.3252 115.4003 58.6502 38.5933 178.1581 20 R 3.5115 7.1114 114.4719 58.5157 29.2966 177.0763 21 H 4.6476 7.8576 111.6212 55.4077 29.2130 175.3554 22 F 4.2952 7.9355 120.1437 57.3783 39.3860 174.9807 23 Q 3.9820 8.7835 125.7689 58.7073 28.7540 176.2386 24 N 4.7811 7.8265 116.1150 51.2650 40.0068 171.2106 25 P 4.6957 0.0000 0.0000 63.1638 32.6266 175.7159 26 Q 5.0039 8.1443 119.9078 55.0441 30.4638 174.9723 27 L 4.8780 8.7203 120.5635 54.2417 44.2045 175.3139 28 S 5.1335 8.6480 116.2173 56.9493 65.4834 173.3387 29 I 4.7916 8.2245 122.3378 59.6919 41.7176 173.6807 30 T 5.3156 8.5035 123.4105 62.1175 71.9325 173.0188 31 S 4.4919 8.6986 118.0112 57.0457 66.4924 172.3435 32 E 4.8503 8.5376 122.8418 54.6467 31.2129 176.0641 33 V 4.6743 7.9368 115.3091 59.1753 34.6048 175.2621 34 E 4.4649 9.3176 124.6758 57.1548 30.0260 177.5188 35 C 4.8760 8.9608 114.6158 58.0686 31.8594 175.9824 36 G 3.7211 8.5887 109.7850 48.3694 0.0000 176.0005 37 G 3.5974 7.6355 107.2345 47.5523 0.0000 175.3750 38 A 3.9824 8.0691 123.9749 54.5477 18.4263 179.5563 39 R 3.1819 7.8533 116.9520 59.4533 29.9915 178.1188 40 Q 3.8773 7.9126 119.0636 59.6465 28.8616 178.7852 41 R 3.8800 8.5413 118.7938 59.2057 30.0012 179.0637 42 A 4.0362 8.3647 121.0530 54.7863 18.3583 179.5474 43 K 3.8288 8.1405 117.9109 59.8053 32.1640 178.8233 44 A 4.0503 8.1318 119.6544 54.3879 18.2242 178.4236 45 A 4.6208 7.4915 116.4552 50.8668 19.4892 176.7074 46 G 3.9317 7.7020 105.6037 47.1816 0.0000 174.3873 47 Q 4.6137 8.0871 118.1562 53.8229 30.7302 175.5124 48 S 4.5385 9.7095 115.1410 58.1882 63.2398 174.9120 49 F 4.5991 9.2993 129.8745 61.1653 39.2703 176.6081 50 F 2.9557 8.4864 120.0922 61.4124 39.0395 177.3108 51 L 3.5596 7.5955 116.5658 57.4497 41.3365 179.2000 52 H 4.3311 8.2270 116.3058 59.2243 28.8493 177.2396 53 Y 4.1873 7.3064 118.8352 59.6149 37.8580 177.6201 54 L 3.7080 7.2110 122.5566 57.9853 42.0576 178.3638 55 Y 3.3248 7.9009 119.2126 60.3455 38.6953 177.4272 56 A 3.2010 7.6946 121.6884 54.9192 18.3857 179.8575 57 V 3.1795 7.4708 116.4628 66.0081 31.6973 178.1114 58 L 3.7191 7.4298 120.1001 57.7921 41.8487 178.9231 59 R 3.3503 7.5471 118.8119 59.0739 29.5413 178.1251 60 A 3.6629 7.4947 120.3831 55.2071 17.9851 179.5054 61 A 3.8690 7.5258 117.8057 55.2748 18.4786 179.3214 62 N 4.2199 7.5821 114.1441 56.3645 38.6218 177.1703 63 E 4.3677 7.9831 118.0940 56.8205 29.9021 176.6970 64 I 4.4907 7.1000 119.3103 58.6948 38.5219 174.4672 65 P 4.3438 0.0000 0.0000 65.4653 31.6871 178.8446 66 E 4.3439 8.5549 117.4211 59.5899 29.4346 178.2761 67 F 4.3263 8.3870 114.8149 58.1430 38.9515 175.7926 68 R 4.6445 8.1795 118.8482 55.8694 32.0962 174.8485 69 Y 4.4554 7.4285 117.5181 57.5449 38.5315 175.2005 70 R 4.9008 9.0741 121.8837 54.6750 35.5015 174.0888 71 I 4.9668 8.5892 121.6527 59.7373 38.5654 175.8674 72 D 4.8459 9.6243 128.2420 51.9653 40.2868 175.4740 73 P 4.3510 0.0000 0.0000 65.7263 31.2260 177.2466 74 D 4.6331 8.2975 115.4535 54.1522 40.7540 177.1013 75 G 4.0340 8.4583 107.5052 45.4271 0.0000 173.7995 76 R 4.4629 8.7281 119.5494 54.6855 32.0651 176.1592 77 V 4.0968 8.2474 123.3270 63.1668 32.7446 174.9724 78 V 4.6501 9.2245 121.2932 59.3062 35.4131 174.2064 79 L 4.4854 8.2506 126.6086 53.3864 43.8098 174.6816 80 Y 4.3342 8.3516 124.9125 56.9603 38.2041 175.4996 81 D 4.4333 8.9276 123.8899 57.1817 41.6391 176.3504 82 T 4.9297 7.5364 112.2544 61.9158 72.6248 172.9828 83 I 4.7497 8.3161 123.6764 59.9371 41.9024 174.8754 84 D 4.9407 8.3128 124.7402 54.3281 43.0274 177.1459 *86 L 4.7515 8.4135 125.8813 56.0421 43.5511 175.2789 87 S 5.2339 8.8185 116.2246 56.8545 66.4158 171.4050 88 P 4.9500 0.0000 0.0000 63.0926 31.4363 176.2897 89 I 4.3188 9.3655 125.1893 61.5076 38.3589 175.0741 *97 F 4.9387 7.7672 118.7830 57.3179 40.2496 174.2027 98 F 4.8585 8.7632 122.5902 55.8619 40.9596 175.2507 99 T 4.6410 8.8809 121.4533 64.1442 68.7990 173.7519 100 T 4.6229 9.0165 122.2304 59.9647 70.4920 172.8723 101 R 4.5320 8.3487 128.2470 55.8509 31.2263 175.3738 102 F 4.8057 8.7821 124.6806 54.7162 41.2894 173.3751 103 P 4.6334 0.0000 0.0000 62.6295 31.8501 175.6529 104 Y 4.6789 8.7506 122.9919 57.8320 39.3590 174.5368 105 H 4.6598 8.3015 122.2245 53.4909 32.5247 174.1148 106 N 4.2010 8.5600 121.3840 55.8050 39.2692 174.1889 107 D 4.8330 7.4303 118.8156 52.4092 42.6422 176.2107 108 F 3.3505 9.0142 128.6987 61.5235 39.3879 176.7199 109 D 3.8870 8.0171 117.7495 57.5494 40.5996 178.8913 110 T 3.7123 8.1597 116.0627 66.4799 68.4507 176.3611 111 F 4.0475 7.9964 122.4266 61.3588 39.3395 176.2172 112 Y 3.5454 8.1757 119.4579 60.7494 38.6113 178.0053 113 Q 3.9943 8.0795 118.7268 59.2396 28.8183 178.9863 114 E 3.8279 8.0124 119.7549 58.9098 29.5494 178.5976 115 A 3.9657 7.6021 120.8349 55.2254 18.4160 179.6224 116 R 3.7524 7.6388 116.5655 59.4561 29.9144 179.2448 117 L 3.9230 7.3983 116.7362 57.9231 41.7103 179.2823 118 I 3.7132 7.6325 118.6050 64.5322 37.0582 178.3112 119 I 3.9539 7.7751 119.6998 64.0758 36.9570 177.3981 120 D 4.7767 7.7832 118.0540 52.5894 41.4453 176.6938 121 A 4.4803 8.0716 122.6817 52.9306 23.2009 178.5403 *139 G 3.3461 8.9560 105.7431 44.0115 0.0000 173.6903 140 D 4.4532 8.1034 120.1872 53.7464 40.7062 174.5429 141 Y 4.9420 8.0993 123.4438 57.9424 38.9648 177.7329 142 G 3.0126 7.3749 108.8774 44.6202 0.0000 173.3417 143 L 5.1255 6.9581 116.9688 53.3521 46.3214 176.7760 144 I 4.7891 8.3234 114.4606 59.0205 41.1503 174.3159 145 L 5.0780 8.7644 124.3689 53.2515 44.7448 174.6431 146 L 5.2053 8.9952 128.1047 53.3080 44.9995 174.6159 147 S 5.0805 9.2762 121.2678 56.6024 64.4705 172.2177 148 A 5.2883 8.8638 129.4853 50.8610 20.6448 177.0090 149 T 4.8035 9.1228 113.0519 58.8976 68.4293 172.9318 150 P 4.4351 0.0000 0.0000 65.7104 31.9947 178.2231 151 D 4.8743 8.1695 117.4475 53.7837 41.2395 175.4717 152 L 4.6178 8.1089 123.3293 53.2968 42.5585 174.7187 153 Y 4.7631 8.5397 128.0290 56.9426 39.6186 174.4071 154 F 4.6915 7.3082 120.2774 55.6442 40.8389 174.1128 155 T 4.3117 8.1049 110.2514 61.7125 69.9453 174.4501 156 S 4.6365 7.7670 115.2355 57.4555 65.3112 173.3736 157 I 4.4065 8.1405 128.2149 59.5109 40.2444 174.6925 158 T 4.4805 8.3659 115.0839 59.6201 70.6223 174.5560 159 G 3.8300 7.8950 113.5935 44.4572 0.0000 172.8966 160 T 4.1706 7.9159 110.1594 60.8544 69.9394 173.7910 161 Q 4.4177 8.0530 121.5220 54.5153 31.0347 173.8593 162 E 3.9977 9.2853 127.4857 58.4710 29.9524 176.4690 163 K 4.7107 7.4645 115.3657 54.2327 36.0473 176.5298 164 R 3.8336 8.7646 119.0961 59.6314 29.7100 177.3627 165 S 4.2169 7.9230 109.1457 58.6846 63.4340 172.9821 166 G 3.7247 7.8671 107.0070 44.2606 0.0000 173.0003 167 N 4.4218 9.1669 116.8111 52.9408 38.9399 175.7353 168 N 4.0266 8.0374 117.6531 56.0519 38.6980 174.8074 169 Y 4.9662 6.4202 113.1130 54.5187 41.6523 173.1801 170 P 4.6312 0.0000 0.0000 62.7444 32.4556 175.1714 171 L 5.2187 8.5433 123.6812 53.1035 43.6208 175.7555 172 L 5.2133 9.3872 122.7369 53.0818 46.3243 175.2054 173 N 5.6069 9.1248 116.9938 51.7386 42.7955 173.3328 174 A 5.2218 9.4587 125.7151 50.4708 21.8980 175.9634 175 G 4.0407 8.0220 109.4780 44.0725 0.0000 172.3240 176 K 4.7898 8.6380 121.5310 55.6873 32.8006 177.7054 177 A 4.4578 8.6640 129.5262 52.1991 19.1150 176.7236 178 I 4.5234 8.9662 122.7871 59.5172 42.0631 174.3825 179 I 4.5424 8.1789 126.2159 60.4440 38.5222 175.5922 180 R 4.3252 8.9887 126.0503 55.0619 32.5205 175.5940 181 E 3.8535 9.8330 124.8873 57.4841 26.8222 176.0498 182 G 3.9520 8.3118 104.7583 45.3980 0.0000 173.4151 183 R 4.5197 7.3867 119.1312 53.7740 32.4034 174.8902 184 L 4.4703 8.3583 124.8349 55.5561 43.3427 175.8154 185 V 5.4034 9.0515 121.2246 58.0501 36.0746 172.2287 *187 P 4.5918 0.0000 0.0000 63.5253 33.1429 175.5862 188 I 5.1603 8.9120 122.8058 59.8704 40.7760 175.0675 189 A 5.9400 9.1837 129.6205 50.0040 22.3448 175.1434 *191 T 4.7097 8.1405 113.6515 63.7809 70.0536 173.8929 192 I 4.6709 8.6892 119.0209 59.2613 42.2164 173.6683 193 H 4.6559 8.5702 121.9528 55.0000 30.0220 175.4455 194 H 4.1351 8.1909 127.0297 57.9436 29.8111 177.3971 195 G 3.3746 7.9668 107.4128 47.7614 0.0000 174.0388 196 F 4.9516 7.8454 117.1626 57.8897 40.2121 176.2526 197 I 4.3712 7.3388 120.7745 58.8373 40.4014 174.5735 198 D 4.8850 8.7050 124.4799 52.0327 44.5614 177.4188 199 G 3.8318 8.5686 106.5387 48.5971 0.0000 174.7654 200 H 4.0489 8.3865 120.1548 59.8095 29.6291 176.7728 201 H 4.4566 8.1387 116.9131 58.6545 28.6227 177.7494 202 L 4.3414 8.2425 121.2250 57.8348 41.5106 179.3452 203 S 4.2558 8.6189 113.5644 61.3844 62.3871 175.9739 204 L 3.9696 7.9512 122.9622 57.9774 41.8253 178.4562 205 F 3.7740 8.5938 120.9211 61.7502 39.2319 176.8667 206 Y 3.9654 8.2660 116.0935 60.5568 37.5873 178.2193 207 K 3.9036 8.2369 120.7220 59.5979 32.2727 178.9609 208 K 3.8840 7.9065 118.5663 59.2672 31.7767 179.4337 209 V 3.3009 7.2430 118.4143 65.9163 31.3302 177.6810 210 E 3.9538 8.2357 118.9072 59.5058 29.3005 178.1407 211 D 4.2495 8.2161 118.0758 57.7917 40.9646 178.6634 212 F 4.2466 7.9858 119.4900 60.2840 39.7176 176.4717 213 L 4.3610 7.7584 117.4720 54.2885 42.4342 176.7496 214 K 4.1540 8.8389 124.1488 56.4504 32.7223 175.9382 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 S 8.33 4.48 0.00 3.85 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 -1 N 8.51 4.70 0.00 2.79 2.81 0.00 0.00 7.11 6.46 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 A 7.29 4.72 1.17 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 0.00 0.00 0 K 7.34 4.72 0.00 1.72 1.12 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.33 7.81 3 Q 8.38 4.38 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 4 I 8.25 4.14 1.77 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 1.23 0.84 0.82 0.00 0.00 5 I 8.13 3.55 1.23 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.22 -0.18 0.00 0.00 6 D 8.49 4.55 0.00 2.72 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 7 I 8.26 4.02 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.23 0.00 0.00 8 E 8.40 4.07 0.00 2.01 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 0.00 2.38 2.33 0.00 9 N 7.96 4.93 0.00 2.92 2.87 0.00 0.00 6.95 8.64 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 10 W 8.07 4.83 0.00 3.57 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 11 E 9.10 3.98 0.00 2.07 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 2.34 2.13 0.00 12 R 6.04 3.91 0.00 0.67 0.96 0.00 2.97 0.00 0.00 2.92 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.00 13 K 7.58 3.94 0.00 2.22 1.85 0.00 1.88 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.62 7.81 14 E 8.00 3.98 0.00 2.16 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 0.00 2.28 2.28 0.00 15 N 7.94 4.21 0.00 2.71 2.90 0.00 0.00 6.79 8.13 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 16 F 8.57 4.12 0.00 2.99 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 17 N 8.39 4.33 0.00 2.88 2.89 0.00 0.00 7.04 8.04 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 18 F 7.79 3.93 0.00 2.86 2.68 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 19 F 7.33 2.73 0.00 2.77 2.54 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 20 R 7.11 3.51 0.00 1.42 0.97 0.00 3.08 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 21 H 7.86 4.65 0.00 3.26 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.94 4.30 0.00 2.92 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 23 Q 8.78 3.98 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 24 N 7.83 4.78 0.00 2.63 2.69 0.00 0.00 6.96 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 25 P 0.00 4.70 0.00 1.50 2.23 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 26 Q 8.14 5.00 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 27 L 8.72 4.88 0.00 1.65 1.62 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.65 5.13 0.00 3.73 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 29 I 8.22 4.79 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 1.13 0.00 0.00 30 T 8.50 5.32 4.31 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 1.47 0.00 0.00 31 S 8.70 4.49 0.00 2.97 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 32 E 8.54 4.85 0.00 1.97 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 2.25 2.30 0.00 33 V 7.94 4.67 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 1.28 0.00 0.00 0.98 0.00 0.00 34 E 9.32 4.46 0.00 1.92 1.88 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 2.34 2.40 0.00 35 C 8.96 4.88 0.00 3.42 3.21 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 36 G 8.59 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 37 G 7.64 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.98 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 0.00 0.00 39 R 7.85 3.18 0.00 1.33 1.84 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 40 Q 7.91 3.88 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 41 R 8.54 3.88 0.00 1.79 1.97 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 42 A 8.36 4.04 1.46 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 0.00 0.00 43 K 8.14 3.83 0.00 2.00 1.94 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 44 A 8.13 4.05 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 45 A 7.49 4.62 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 46 G 7.70 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 47 Q 8.09 4.61 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 1.78 2.33 0.00 48 S 9.71 4.54 0.00 4.03 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 0.00 49 F 9.30 4.60 0.00 3.21 3.24 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 50 F 8.49 2.96 0.00 3.11 3.06 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 51 L 7.60 3.56 0.00 2.14 1.79 0.38 0.75 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 H 8.23 4.33 0.00 3.46 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.31 4.19 0.00 3.07 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 54 L 7.21 3.71 0.00 0.87 1.37 0.69 -0.08 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 55 Y 7.90 3.32 0.00 3.04 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 56 A 7.69 3.20 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 57 V 7.47 3.18 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 1.05 0.00 0.00 0.99 0.00 0.00 58 L 7.43 3.72 0.00 1.67 1.30 0.81 1.07 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 59 R 7.55 3.35 0.00 0.70 1.20 0.00 2.86 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 60 A 7.49 3.66 0.64 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 0.00 0.00 61 A 7.53 3.87 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 62 N 7.58 4.22 0.00 2.12 2.46 0.00 0.00 7.10 6.94 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 63 E 7.98 4.37 0.00 1.98 1.98 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *139 G 8.96 3.35 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 0.00 140 D 8.10 4.45 0.00 2.61 2.61 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 0.00 0.00 0.00 0.00 141 Y 8.10 4.94 0.00 3.10 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 0.00 142 G 7.37 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 0.00 0.00 0.00 143 L 6.96 5.13 0.00 0.51 0.85 0.70 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.32 4.79 1.92 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 1.06 0.67 0.95 0.00 0.00 145 L 8.76 5.08 0.00 2.02 1.73 1.09 0.67 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 0.00 146 L 9.00 5.21 0.00 1.82 1.58 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 147 S 9.28 5.08 0.00 3.91 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 0.00 148 A 8.86 5.29 1.62 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 0.00 0.00 149 T 9.12 4.80 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 1.27 0.00 0.00 150 P 0.00 4.44 0.00 2.40 2.59 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 151 D 8.17 4.87 0.00 2.76 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 0.00 152 L 8.11 4.62 0.00 1.82 1.97 1.04 1.08 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 0.00 153 Y 8.54 4.76 0.00 2.86 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 0.00 154 F 7.31 4.69 0.00 2.92 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 0.00 155 T 8.10 4.31 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 1.07 0.00 0.00 156 S 7.77 4.64 0.00 3.82 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 0.00 157 I 8.14 4.41 1.33 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.27 0.69 0.00 0.00 158 T 8.37 4.48 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 1.18 0.00 0.00 159 G 7.90 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 0.00 0.00 0.00 160 T 7.92 4.17 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 1.17 0.00 0.00 161 Q 8.05 4.42 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 162 E 9.29 4.00 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 163 K 7.46 4.71 0.00 1.92 1.86 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.41 7.81 164 R 8.76 3.83 0.00 1.79 2.03 0.00 3.24 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 165 S 7.92 4.22 0.00 4.11 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 0.00 166 G 7.87 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 0.00 167 N 9.17 4.42 0.00 2.55 2.50 0.00 0.00 7.06 7.46 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 0.00 168 N 8.04 4.03 0.00 1.92 1.42 0.00 0.00 6.72 7.46 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 0.00 169 Y 6.42 4.97 0.00 3.03 2.89 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 0.00 170 P 0.00 4.63 0.00 2.18 2.10 0.00 4.01 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 171 L 8.54 5.22 0.00 1.49 1.58 0.84 0.93 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 0.00 172 L 9.39 5.21 0.00 1.63 1.66 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 173 N 9.12 5.61 0.00 2.58 2.65 0.00 0.00 7.05 7.49 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 0.00 174 A 9.46 5.22 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 0.00 175 G 8.02 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 0.00 0.00 0.00 176 K 8.64 4.79 0.00 1.99 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 177 A 8.66 4.46 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 0.00 178 I 8.97 4.52 1.38 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.38 0.44 0.00 0.00 179 I 8.18 4.54 1.80 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 1.29 0.31 0.86 0.00 0.00 180 R 8.99 4.33 0.00 1.72 1.78 0.00 3.28 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 181 E 9.83 3.85 0.00 2.07 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 2.21 2.27 0.00 182 G 8.31 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 0.00 183 R 7.39 4.52 0.00 1.84 1.80 0.00 3.27 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 184 L 8.36 4.47 0.00 1.71 1.50 0.86 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 0.00 185 V 9.05 5.40 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 0.87 0.00 0.00 0.98 0.00 0.00 *187 P 0.00 4.59 0.00 1.57 2.05 0.00 3.45 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.62 0.00 188 I 8.91 5.16 2.24 0.00 0.00 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 1.21 1.08 1.12 0.00 0.00 189 A 9.18 5.94 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 *191 T 8.14 4.71 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 1.17 0.00 0.00 192 I 8.69 4.67 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.88 0.00 0.00 193 H 8.57 4.66 0.00 3.18 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 H 8.19 4.14 0.00 2.66 1.55 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 G 7.97 3.37 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 0.00 196 F 7.85 4.95 0.00 3.12 3.10 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 0.00 197 I 7.34 4.37 1.63 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.95 0.65 0.00 0.00 198 D 8.70 4.88 0.00 2.76 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 0.00 199 G 8.57 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 0.00 0.00 0.00 200 H 8.39 4.05 0.00 3.23 3.23 0.00 5.87 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 0.00 201 H 8.14 4.46 0.00 3.45 3.60 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 L 8.24 4.34 0.00 2.04 2.02 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.62 4.26 0.00 3.99 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 0.00 204 L 7.95 3.97 0.00 1.98 1.94 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.59 3.77 0.00 2.70 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 0.00 206 Y 8.27 3.97 0.00 3.25 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 0.00 207 K 8.24 3.90 0.00 2.07 1.95 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 208 K 7.91 3.88 0.00 1.70 1.63 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.50 7.81 209 V 7.24 3.30 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 0.90 0.00 0.00 0.03 0.00 0.00 210 E 8.24 3.95 0.00 2.11 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 2.32 2.52 0.00 211 D 8.22 4.25 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 F 7.99 4.25 0.00 2.89 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 0.00 213 L 7.76 4.36 0.00 1.88 1.80 1.02 1.21 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 0.00 214 K 8.84 4.15 0.00 1.80 2.11 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.28 7.81 * Residues marked with a * may have inaccurate shift predictions.