NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9685 8.3544 109.7465 45.6968 0.0000 174.2637 2 H 3.9434 8.2761 122.4617 54.1382 29.7727 173.3942 *4 S 4.3690 7.7428 112.9775 57.8297 66.5200 173.1192 5 R 3.9296 8.3901 119.2760 59.2464 29.0654 178.5660 6 N 4.3114 8.1059 117.8532 56.5503 39.0271 176.4693 7 L 4.0564 7.7772 121.7599 58.0280 42.1845 178.8264 8 L 4.0424 8.3468 119.1230 57.7697 41.3228 179.4093 9 A 4.0388 7.8293 119.7582 55.2143 18.4111 179.4185 10 I 3.8144 7.7496 117.4751 64.0263 37.5377 177.9493 11 V 4.0532 8.2226 117.4773 63.1929 31.6147 176.7907 12 H 4.0085 7.9810 118.4514 60.0576 29.6281 174.6438 13 P 4.2489 0.0000 0.0000 65.8708 30.9629 178.5916 14 I 3.7071 7.8617 118.3613 64.3166 36.8089 178.4825 15 L 3.9435 7.7085 118.0258 57.7805 41.6163 179.2260 16 R 4.0096 7.5764 116.7642 59.2502 30.3422 178.3094 17 N 4.4728 8.5337 117.1071 56.4409 38.8651 177.6248 18 L 4.0877 7.9528 119.9273 55.7316 40.8574 178.3385 *20 E 4.2835 8.1808 118.5450 55.9991 31.5189 178.1856 21 E 4.1614 8.7388 117.8738 59.3114 29.5943 178.5748 22 S 4.3356 8.4171 112.7428 59.1277 63.5159 175.4725 23 G 4.0198 7.8873 107.5939 45.4375 0.0000 172.4004 24 E 4.8944 7.7636 118.0906 54.0267 34.3836 175.2982 25 T 4.2676 8.4750 117.8824 64.0736 69.8578 173.3743 26 V 4.7775 9.1372 125.9820 61.5323 34.0934 174.1258 27 N 4.9932 8.5493 124.8019 52.1312 42.7272 172.9920 *29 A 4.5431 8.4944 121.1312 53.0722 20.6790 176.6199 30 V 4.8240 8.5322 112.4183 59.3337 35.9175 174.4117 31 L 4.2485 7.8516 123.9895 53.7350 42.6450 175.4436 32 D 4.2791 9.1133 127.2485 54.2551 41.3438 176.4726 33 Q 3.9780 8.9802 125.5559 59.2166 30.0110 179.1323 34 S 3.9726 8.4297 110.1326 61.3397 61.8898 176.1163 35 D 4.3946 8.9474 133.7408 54.4133 40.0515 174.3786 36 H 4.0353 8.3680 123.6779 56.0600 29.2122 173.7653 37 E 4.8434 7.9073 122.7881 55.2448 34.2054 174.2480 38 A 4.8916 8.3621 123.4890 51.3296 20.7953 176.5212 39 I 4.9844 8.9001 121.9184 59.2544 40.9939 175.1746 40 I 4.2501 8.5152 128.3563 61.4725 37.4340 176.5304 41 I 4.4453 8.5415 118.7191 60.9677 39.6771 174.4676 42 D 4.8048 7.8045 120.1235 53.4637 44.5259 173.7874 43 Q 4.7753 8.1434 119.6909 55.1770 32.2280 173.2217 44 V 4.3976 8.8524 126.0059 61.1530 34.1403 174.6226 45 Q 4.6285 8.7452 127.4114 55.5427 29.7461 176.0664 46 C 4.4223 8.3139 117.7716 58.0264 30.9118 173.2815 47 T 4.2680 8.0430 112.2315 62.3590 67.3132 174.3573 48 H 4.3575 7.8889 117.7622 56.5149 29.1737 176.1386 49 L 4.0879 8.5501 121.5751 55.5369 42.8442 178.0332 *51 R 4.0901 8.0311 117.5486 56.0016 29.9045 178.3097 *53 S 4.0207 9.0599 114.4350 57.9483 62.2227 171.3785 54 A 4.6637 8.0834 129.5382 49.5808 20.9966 174.8370 55 P 4.6242 0.0000 0.0000 61.7430 32.6931 175.8498 56 I 4.0364 7.9991 121.0055 62.7605 37.5537 176.3208 57 G 4.0322 9.0268 113.8504 45.0478 0.0000 174.3048 58 G 3.8574 7.8773 107.1562 46.7868 0.0000 172.7161 59 K 5.2104 8.5796 121.6360 54.3938 34.8444 175.5811 60 L 4.7802 8.8290 123.8715 52.0496 44.3667 176.5641 61 P 4.7016 0.0000 0.0000 62.6074 31.1521 176.7251 *63 H 4.7258 8.6715 111.4227 55.4405 30.1736 173.4282 64 A 4.5507 7.7452 120.2240 51.3566 20.3786 175.1783 65 S 4.7622 7.5597 111.1944 56.1610 66.1936 175.6735 66 G 3.5290 8.5994 107.2141 48.0044 0.0000 175.8963 67 A 4.0255 8.0304 123.3543 54.4925 18.3175 179.7623 68 G 3.7516 8.1234 105.5567 47.6143 0.0000 176.1923 69 K 4.0954 8.1919 120.9087 58.2264 31.7614 179.4830 70 A 3.9841 7.5821 120.6265 54.9180 18.5704 179.3754 71 F 4.3268 7.9234 115.8559 60.7864 39.1203 177.3131 72 L 3.9719 8.4828 120.0067 58.5739 41.6072 178.6751 73 A 4.2665 8.0361 118.0811 53.8875 18.4404 178.5066 74 Q 4.3323 8.5611 115.6539 55.7628 29.3305 175.7870 75 L 4.5839 7.0520 120.0446 53.1418 43.6113 176.8277 76 S 4.4963 8.1701 115.0890 57.9927 65.2883 174.9631 77 E 4.0028 8.6583 121.7728 59.7122 29.2652 179.5779 78 E 4.0120 8.0944 118.2124 59.4618 29.6348 179.1741 79 Q 4.0630 8.0084 117.8656 58.4389 28.6532 178.8900 80 V 3.5405 7.7707 119.5957 66.4760 31.6874 178.2092 81 T 3.9351 7.8809 115.4083 66.5230 68.2036 176.8541 82 K 3.9833 7.9595 119.9948 59.3620 32.0527 179.2898 83 L 3.9684 7.8920 119.2383 57.8524 41.5799 179.4931 84 L 3.9635 8.2894 119.2326 58.0657 41.3306 178.9725 85 H 4.0594 7.9184 116.9241 59.5103 29.8864 177.0511 86 R 4.1461 7.8514 117.8501 57.8538 30.1898 178.1027 87 K 4.3462 8.4685 117.4646 55.8493 33.4412 177.0268 88 G 3.8644 8.5480 103.8376 44.8374 0.0000 172.9693 89 L 4.2997 7.5614 114.2753 52.4844 41.8763 176.6062 90 H 3.8355 8.0235 117.4780 56.7225 30.5381 175.0824 91 A 4.3171 7.8577 129.7580 50.9444 17.2140 176.2483 92 Y 4.0793 8.1394 119.6249 61.0913 38.6111 176.3436 93 T 4.6860 8.6028 108.7620 60.0332 72.0166 174.1158 94 H 4.1027 8.7144 116.5437 57.9872 28.2760 175.9777 95 A 4.4313 7.4206 121.1452 52.4650 19.5322 177.5294 96 T 3.8320 7.5282 112.8739 63.7628 68.9074 174.4578 97 L 4.2498 8.3982 125.2395 54.7846 40.6504 177.0700 98 V 4.0902 8.1901 116.6791 61.3848 32.9151 176.7999 99 S 4.6050 7.7845 115.3897 56.3641 64.0173 172.7262 100 P 4.3252 0.0000 0.0000 65.0024 31.1323 179.0167 101 V 3.5547 7.6001 117.2948 66.2868 31.6119 177.5802 102 H 4.2453 7.9459 115.7839 58.7300 28.4644 177.4047 103 L 3.9792 8.0839 122.1706 58.3619 41.8789 179.3206 104 K 3.9885 7.9884 117.8660 59.3921 31.8292 179.0234 105 E 4.0103 8.1819 119.5853 58.9185 29.6058 178.4250 106 D 4.3283 8.1878 118.4759 57.2107 41.2899 178.2288 107 L 4.0392 8.2951 119.5405 57.6072 41.6368 179.4185 108 A 4.0289 8.0797 121.0210 55.2031 18.3591 179.6752 109 Q 4.0256 7.9610 116.2998 58.8278 28.7327 179.0378 110 T 3.9331 7.5332 118.3022 65.9903 68.2662 176.9052 111 R 3.9347 7.5129 118.5365 59.1761 30.1790 178.9440 112 K 4.0963 7.6931 116.9726 59.3147 32.2203 179.0778 113 R 4.2178 7.8425 113.9214 56.7355 29.9233 177.4489 114 G 4.0580 9.5696 107.9052 45.0563 0.0000 172.0870 115 Y 5.0536 6.8283 116.4064 56.0183 41.7437 173.8089 116 S 4.8353 9.3467 115.4073 57.1965 66.1357 173.2388 117 F 5.3813 8.4996 122.3189 57.1913 41.9019 173.2377 118 D 4.3314 9.3591 128.3788 53.1853 42.0072 174.8547 119 D 4.6229 8.1471 128.5895 52.7661 39.4263 175.3880 120 E 4.0504 8.5753 118.4148 56.8494 27.8956 175.7329 121 E 4.1390 8.7203 120.1927 58.1447 29.9957 177.1775 122 H 4.3921 8.1473 116.8995 57.2652 31.1910 174.6976 123 A 4.6074 7.2816 119.5180 50.4037 21.8544 175.3554 124 L 4.1369 8.3458 121.8942 56.2098 42.3353 178.3470 125 G 3.9209 9.7204 110.2682 45.3193 0.0000 172.4006 126 L 5.0206 7.6538 122.6832 53.3059 44.2248 175.3108 127 R 5.2072 8.9584 125.0085 54.7822 33.7359 174.4188 128 C 5.1947 8.9154 121.1482 58.0600 35.6924 172.5991 129 L 5.5325 9.4732 124.9881 53.1247 45.1805 175.4317 130 A 5.2303 8.9055 122.7196 50.6927 23.4308 174.6193 131 A 4.8338 8.8152 119.9238 50.5723 22.9346 175.9526 132 C 4.2121 8.4811 118.3882 59.4259 29.5318 173.0192 133 I 4.3274 7.6623 122.2196 59.4647 39.3499 174.7153 134 F 5.6613 8.8679 124.9266 55.9188 42.0817 175.4243 135 D 4.6431 9.1012 122.6748 51.8754 41.3013 176.7077 136 E 4.1730 8.9788 116.0928 59.1322 29.4511 176.9699 137 H 4.8385 8.4075 115.8576 55.4181 29.0339 174.4772 138 R 3.8969 7.7971 115.8937 57.0925 28.4333 175.8123 139 E 4.7190 8.7104 116.6651 54.1562 30.9811 174.2683 140 P 5.1059 0.0000 0.0000 62.1345 30.5489 175.4263 141 F 4.9435 8.3288 117.5498 56.4141 38.8573 174.6547 142 A 4.7371 7.1877 119.8270 51.9912 22.3611 175.0454 143 A 4.5546 8.8064 120.2657 50.5697 22.4002 175.8212 144 I 4.7578 8.5096 121.5903 59.3116 41.4893 174.4412 145 S 5.2044 8.9611 121.6571 57.2618 67.4682 172.4130 146 I 5.1086 8.9058 120.1009 59.6731 40.5152 175.0901 147 S 5.0346 8.6693 122.6370 56.8938 66.1843 173.5573 148 G 4.1872 8.9076 109.8829 45.4517 0.0000 170.6863 149 P 5.1688 0.0000 0.0000 62.4141 32.2927 177.4477 150 I 4.0126 8.5101 115.3525 62.9505 37.3293 177.3922 151 S 4.2883 8.2271 117.3168 60.4049 63.2916 175.0085 152 R 4.4636 7.8612 118.0353 56.8251 32.3787 176.7129 153 I 4.1082 7.5085 120.7169 59.9869 35.6190 175.5212 154 T 4.2547 7.5029 113.4338 60.9464 70.2584 176.1015 155 D 4.4573 9.0002 122.9475 57.9883 40.5939 179.1255 156 D 4.4381 8.1425 117.0137 55.5392 39.7757 177.4885 157 R 4.3480 8.1180 118.6843 56.2257 30.7112 178.1457 158 V 3.5387 7.4557 119.4991 66.3146 31.3907 177.7629 159 T 3.8099 7.8460 108.7666 64.9832 68.2127 175.6542 160 E 3.7741 7.9189 120.5631 58.8305 29.7565 178.3223 161 F 4.2811 7.9449 117.3209 60.2447 39.2188 177.5452 162 G 2.5721 7.9643 105.5792 47.0832 0.0000 176.4696 163 A 4.1161 7.7125 122.5457 52.1878 18.7592 179.6033 *165 V 4.0095 7.8425 122.5249 63.3592 33.8157 177.8562 166 I 3.7017 8.2884 121.8097 64.0730 36.9196 178.2253 167 K 3.9087 8.0751 120.1543 59.4031 32.0979 178.4924 168 A 3.9674 8.0235 120.2924 55.3563 18.2639 179.3144 169 A 3.9204 8.4495 119.5378 55.0235 18.3670 179.8454 170 K 3.9543 8.2192 118.2322 59.8178 32.2929 178.9697 171 E 4.0695 8.3043 118.8807 59.2956 29.2579 179.6733 172 V 3.6286 7.8198 118.2904 66.1755 31.6771 178.0479 173 T 4.0397 8.2655 115.9122 66.9557 68.3736 176.4436 174 L 4.0809 8.6831 120.7125 57.8360 41.4065 179.5119 175 A 4.0485 8.0556 119.9222 55.2690 18.3714 178.7639 176 Y 4.2692 8.3141 117.5856 60.8413 39.0082 178.1835 177 G 3.8466 8.3238 105.8423 47.3643 0.0000 175.7747 178 G 3.5827 7.8202 107.4030 47.6499 0.0000 173.7329 *180 R 4.2360 7.7896 123.9052 55.8163 30.5712 175.5387 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 G 8.35 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 2 H 8.28 3.94 0.00 3.19 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 7.74 4.37 0.00 4.16 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 5 R 8.39 3.93 0.00 2.08 2.26 0.00 2.98 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 6 N 8.11 4.31 0.00 2.83 2.88 0.00 0.00 6.88 6.66 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 7 L 7.78 4.06 0.00 1.87 1.89 1.04 1.40 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 8 L 8.35 4.04 0.00 1.93 1.89 0.96 1.22 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 9 A 7.83 4.04 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 10 I 7.75 3.81 2.08 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 1.43 0.84 0.95 0.00 0.00 11 V 8.22 4.05 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 1.03 0.00 0.00 1.00 0.00 0.00 12 H 7.98 4.01 0.00 3.52 3.40 0.00 5.86 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 13 P 0.00 4.25 0.00 2.20 2.12 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 14 I 7.86 3.71 2.02 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 1.66 0.72 0.91 0.00 0.00 15 L 7.71 3.94 0.00 1.65 1.67 0.94 0.89 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 16 R 7.58 4.01 0.00 1.87 1.96 0.00 3.32 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 1.49 1.74 0.00 17 N 8.53 4.47 0.00 2.85 2.94 0.00 0.00 6.90 6.56 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 18 L 7.95 4.09 0.00 1.85 1.77 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.18 4.28 0.00 2.20 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 2.29 2.33 0.00 21 E 8.74 4.16 0.00 1.99 1.97 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 2.31 2.23 0.00 22 S 8.42 4.34 0.00 4.35 4.18 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 23 G 7.89 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 24 E 7.76 4.89 0.00 1.80 1.97 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 2.43 2.20 0.00 25 T 8.48 4.27 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 1.24 0.00 0.00 26 V 9.14 4.78 2.06 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 0.96 0.00 0.00 0.92 0.00 0.00 27 N 8.55 4.99 0.00 2.70 2.62 0.00 0.00 6.63 6.82 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 *29 A 8.49 4.54 1.33 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 0.00 0.00 30 V 8.53 4.82 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 0.77 0.00 0.00 0.94 0.00 0.00 31 L 7.85 4.25 0.00 0.27 0.97 0.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.11 4.28 0.00 2.73 2.77 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 33 Q 8.98 3.98 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 34 S 8.43 3.97 0.00 3.84 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 35 D 8.95 4.39 0.00 2.90 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 36 H 8.37 4.04 0.00 3.10 3.27 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 37 E 7.91 4.84 0.00 2.08 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 2.54 2.29 0.00 38 A 8.36 4.89 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 39 I 8.90 4.98 1.86 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 1.22 0.71 1.00 0.00 0.00 40 I 8.52 4.25 1.88 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 1.47 0.85 0.94 0.00 0.00 41 I 8.54 4.45 1.90 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 1.25 0.69 0.93 0.00 0.00 42 D 7.80 4.80 0.00 2.68 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 43 Q 8.14 4.78 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 44 V 8.85 4.40 2.06 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 0.92 0.00 0.00 0.90 0.00 0.00 45 Q 8.75 4.63 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 46 C 8.31 4.42 0.00 3.19 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 47 T 8.04 4.27 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 1.11 0.00 0.00 48 H 7.89 4.36 0.00 3.19 3.20 0.00 5.77 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 49 L 8.55 4.09 0.00 1.63 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 8.03 4.09 0.00 1.95 1.42 0.00 3.14 0.00 0.00 3.40 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 *53 S 9.06 4.02 0.00 4.06 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 54 A 8.08 4.66 1.22 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 0.00 0.00 55 P 0.00 4.62 0.00 2.23 2.18 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 56 I 8.00 4.04 1.88 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 1.36 0.54 0.92 0.00 0.00 57 G 9.03 4.03 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 0.00 0.00 0.00 58 G 7.88 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 59 K 8.58 5.21 0.00 1.64 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.31 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.55 7.81 60 L 8.83 4.78 0.00 1.50 1.46 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.70 0.00 2.15 2.21 0.00 3.39 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 9.47 5.53 0.00 1.52 1.43 0.83 0.50 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 0.00 130 A 8.91 5.23 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 0.00 131 A 8.82 4.83 1.20 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 0.00 0.00 132 C 8.48 4.21 0.00 2.46 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 0.00 0.00 0.00 133 I 7.66 4.33 1.19 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.45 0.53 0.00 0.00 134 F 8.87 5.66 0.00 2.94 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 0.00 135 D 9.10 4.64 0.00 2.76 2.14 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 0.00 136 E 8.98 4.17 0.00 2.09 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 0.00 2.01 2.22 0.00 137 H 8.41 4.84 0.00 3.39 3.40 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.80 3.90 0.00 1.94 1.91 0.00 3.11 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 139 E 8.71 4.72 0.00 2.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 140 P 0.00 5.11 0.00 2.31 1.87 0.00 3.54 0.00 0.00 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 141 F 8.33 4.94 0.00 3.04 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 0.00 142 A 7.19 4.74 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 0.00 143 A 8.81 4.55 0.41 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 0.00 144 I 8.51 4.76 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.91 0.83 0.00 0.00 145 S 8.96 5.20 0.00 3.93 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 0.00 146 I 8.91 5.11 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 0.75 0.00 0.00 147 S 8.67 5.03 0.00 3.66 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 0.00 148 G 8.91 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 0.00 0.00 0.00 0.00 149 P 0.00 5.17 0.00 2.09 2.15 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 150 I 8.51 4.01 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 1.44 0.59 0.94 0.00 0.00 151 S 8.23 4.29 0.00 3.99 4.03 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 0.00 152 R 7.86 4.46 0.00 1.86 2.00 0.00 3.03 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 153 I 7.51 4.11 1.75 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.39 0.57 0.00 0.00 154 T 7.50 4.25 4.32 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 1.25 0.00 0.00 155 D 9.00 4.46 0.00 2.82 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 0.00 156 D 8.14 4.44 0.00 2.83 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 0.00 157 R 8.12 4.35 0.00 2.25 2.03 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 158 V 7.46 3.54 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 0.51 0.00 0.00 0.65 0.00 0.00 159 T 7.85 3.81 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 1.25 0.00 0.00 160 E 7.92 3.77 0.00 1.83 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 2.05 2.24 0.00 161 F 7.94 4.28 0.00 3.06 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 0.00 162 G 7.96 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 0.00 0.00 0.00 163 A 7.71 4.12 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 *165 V 7.84 4.01 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 0.92 0.00 0.00 0.95 0.00 0.00 166 I 8.29 3.70 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.10 0.96 0.00 0.00 167 K 8.08 3.91 0.00 1.90 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.46 7.81 168 A 8.02 3.97 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 0.00 169 A 8.45 3.92 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 0.00 170 K 8.22 3.95 0.00 1.98 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 171 E 8.30 4.07 0.00 2.24 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 2.35 2.44 0.00 172 V 7.82 3.63 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 1.11 0.00 0.00 0.95 0.00 0.00 173 T 8.27 4.04 4.53 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 1.46 0.00 0.00 174 L 8.68 4.08 0.00 1.84 1.77 0.95 0.76 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 0.00 175 A 8.06 4.05 1.44 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 0.00 176 Y 8.31 4.27 0.00 3.19 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 0.00 177 G 8.32 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 0.00 178 G 7.82 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 *180 R 7.79 4.24 0.00 1.78 1.90 0.00 3.05 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.