NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 C 4.5353 8.1914 120.8193 59.1859 32.6683 174.3773 24 G 2.6877 7.6752 114.0073 46.5551 0.0000 173.7822 25 G 4.0873 7.8095 108.4156 47.6430 0.0000 172.9668 26 C 4.4237 8.0196 113.8739 56.7977 30.6128 173.9714 27 Q 3.9352 8.0512 117.1755 56.2793 25.8915 172.9858 28 Q 4.7078 7.2270 111.7544 53.4907 31.8880 175.5785 29 N 4.1598 8.7150 117.9809 53.9396 38.9651 174.7863 30 I 3.9842 8.1674 124.2856 60.7882 37.7044 175.6870 31 G 3.7833 8.7247 114.6816 47.3873 0.0000 173.9245 32 D 4.4388 8.1400 119.6459 54.6806 41.1107 178.0035 33 R 4.0150 8.7247 122.0402 57.9873 30.2636 176.1290 34 Y 4.7606 7.7632 114.8831 56.0303 40.7164 174.3746 35 F 5.2542 8.5936 118.5526 55.5190 41.9299 173.2568 36 L 4.9079 9.2739 117.9850 52.7636 45.3954 175.9893 37 K 5.2431 8.6184 121.2164 54.8723 34.8007 175.3116 38 A 4.6130 9.4408 129.7959 52.0225 22.3697 175.6512 39 I 3.4524 8.9490 120.9522 62.8265 34.8352 173.3564 40 D 4.3021 8.2097 113.2563 55.3826 38.6136 173.8119 41 Q 4.3118 7.7019 114.4147 54.3835 33.8193 174.1806 42 Y 5.2362 7.9250 118.4543 56.4597 40.5616 174.8367 43 W 5.4952 9.6916 122.1521 55.2838 34.4522 174.7407 44 H 5.0892 9.0249 118.5498 54.9792 29.3444 176.6540 45 E 4.1337 8.9560 120.1148 59.0493 29.3029 177.9228 46 D 4.8964 8.1111 115.3378 54.3205 42.0402 176.5390 47 C 4.4713 7.9858 116.1655 60.9869 29.0531 173.9757 48 L 4.0432 7.7578 123.1356 53.2321 40.6391 175.0145 49 S 5.2416 7.8498 117.2463 55.5105 66.5690 173.6077 50 C 4.3834 8.6699 122.4107 59.5384 31.6103 174.4722 51 D 4.4418 9.1839 127.2429 56.9515 40.7930 177.6642 52 L 4.3670 7.9483 118.0427 55.9829 42.3398 177.0406 53 C 4.6136 8.1354 110.3280 57.1367 31.4934 174.9456 54 G 3.9292 8.4424 108.0105 45.2019 0.0000 173.1243 55 C 4.4226 7.6969 114.3755 57.6897 31.4139 173.0215 56 R 4.4287 8.4637 120.1489 56.1569 30.0971 176.0156 57 L 4.3772 8.1568 124.6849 53.6186 42.9323 176.9830 *62 R 4.0653 8.3643 120.6148 55.7139 31.2670 175.6993 63 R 3.8410 8.4547 120.1425 56.1571 30.4851 175.8194 64 L 4.7806 8.0489 124.5533 53.3893 44.6071 174.7490 65 Y 4.4098 9.2504 124.2809 56.2567 40.7368 174.2345 66 Y 5.0566 8.5164 124.2687 55.7905 41.4495 174.0302 67 K 4.3901 8.1505 127.2644 55.5937 35.3944 175.9221 68 L 3.6523 9.3536 123.1270 55.8296 39.2434 175.6433 69 G 3.8946 7.8352 103.4134 45.6844 0.0000 173.8929 70 R 4.7985 7.4720 119.3490 54.0377 32.9269 175.4734 71 K 4.8059 9.0731 123.3423 56.0552 33.3708 176.1147 72 L 5.2913 9.4908 124.9748 52.8736 46.3314 176.2806 73 C 4.7467 8.5610 115.8986 57.2510 31.4218 174.5994 74 R 3.6619 8.8782 119.8750 59.6714 29.4394 178.1932 75 R 2.6037 7.7456 117.5717 59.4439 29.8943 178.0811 76 D 4.2263 7.8473 117.9507 57.2018 40.8593 177.9383 77 Y 4.1808 8.1967 120.3140 60.8733 38.8765 178.1574 78 L 3.8796 8.2457 120.1541 57.8562 41.4792 179.8891 79 R 3.8453 7.8242 117.2691 58.5937 29.9660 178.4121 80 L 3.9104 7.0897 117.6884 55.8253 42.2991 177.4934 81 F 4.6406 7.7611 113.3272 56.4633 40.5886 175.8180 82 G 3.6445 7.4281 109.9985 45.5146 0.0000 172.5978 83 Q 4.5848 8.3344 122.1034 54.3896 30.1719 175.1626 84 D 4.8525 8.7185 126.3345 52.9015 41.6396 174.7094 85 G 4.2623 8.8111 105.4536 44.5143 0.0000 170.7594 86 L 5.0455 8.1439 120.9641 52.8044 44.4232 175.5780 87 C 4.3622 8.7774 127.3801 59.2935 31.9634 174.4049 88 A 3.9079 8.3499 129.6530 54.2425 17.9247 177.7811 89 S 4.5553 7.5897 109.6362 59.9710 63.6992 174.5291 90 C 4.2827 7.9148 113.2731 57.9056 30.2779 173.8226 91 D 4.3911 7.8148 118.0414 55.0615 40.1662 172.8321 92 K 4.6797 7.2638 115.2650 54.4103 34.5849 176.3921 93 R 4.5586 8.5277 120.8617 56.5375 31.3752 176.6432 94 I 4.6406 8.5528 122.6041 58.4491 39.4010 175.7315 95 R 4.2142 8.8029 126.3498 55.9483 30.6356 177.9368 96 A 4.0420 8.7019 124.0022 55.4833 18.2946 177.9721 97 Y 4.6320 7.8441 113.4007 57.9206 39.0503 175.2913 98 E 4.1232 8.1091 119.8091 56.9583 30.4572 175.8319 99 M 4.4894 8.4211 122.3940 55.7775 32.9747 175.5366 100 T 5.0849 8.4649 119.1993 61.9544 73.0966 173.4329 101 M 4.3878 8.9494 123.5315 53.7650 34.1979 175.1121 102 R 4.8826 8.4045 123.4236 55.0200 32.0468 176.8996 103 V 4.3248 8.6245 123.1012 61.9018 34.5449 175.6135 104 K 3.7410 8.4454 129.7595 57.7502 31.1476 178.1274 105 D 4.4924 8.9106 126.7051 56.7740 39.7678 176.7519 106 K 4.4048 7.9473 119.1469 56.0523 33.7022 176.6737 107 V 4.9832 7.8315 120.8216 60.4018 34.8564 173.6638 108 Y 4.9917 8.8760 120.9791 56.0364 41.9631 175.0753 109 H 4.5134 8.8755 119.6367 55.6417 29.9295 176.0901 110 L 3.9702 8.5575 125.4652 58.4562 41.9056 179.1383 111 E 4.1759 8.2178 116.7686 58.6327 29.7358 176.8637 112 C 4.4564 8.2354 115.1988 60.9895 28.7683 174.4026 113 F 4.1354 7.8328 123.3172 56.4147 37.1148 174.0936 114 K 4.5167 7.1893 121.7648 54.1281 36.0266 176.4988 115 C 4.2592 8.5570 121.2809 59.1812 31.8889 174.6703 116 A 3.9184 8.7256 130.7218 55.1104 17.6227 178.0993 117 A 4.3484 7.2660 118.7006 54.5020 18.8609 177.7481 118 C 4.2316 8.1869 108.2932 57.9061 30.5852 175.0570 119 Q 3.9696 7.9991 118.1280 56.5041 26.7270 173.4197 120 K 3.9396 7.1277 119.6713 56.5076 32.7337 176.0244 121 H 4.6070 8.2416 122.2297 54.7550 30.0911 174.8585 122 F 4.8532 8.5046 120.6782 56.5806 40.9618 174.8038 123 C 4.9904 8.9931 118.4215 57.4441 31.1278 174.3461 124 V 3.7989 8.3191 121.8283 64.9556 31.2773 176.5235 125 G 4.0411 8.9643 115.4640 45.2824 0.0000 173.3818 126 D 4.6425 7.8160 119.0101 54.5026 41.6680 175.5436 127 R 4.8916 8.5532 120.2209 54.7418 32.6008 174.8036 128 Y 5.1928 8.1978 120.3849 55.2046 41.9170 173.8137 129 L 4.4452 8.9865 121.9204 53.0669 45.0105 174.8090 130 L 4.8978 8.3566 127.9553 53.7708 43.3307 175.6671 131 I 4.4073 8.3004 128.8104 60.2787 39.3737 176.2593 132 N 4.2176 8.4526 125.5182 54.9000 37.0417 175.3982 133 S 4.8522 9.0142 120.6588 59.0422 63.3622 172.8574 134 D 4.8341 8.4435 121.8079 53.7930 42.7790 175.3645 135 I 4.6555 7.9816 122.7238 59.5401 39.7132 174.6584 136 V 4.5113 8.2850 127.1325 60.5808 34.4433 174.9670 137 C 4.7852 8.8617 122.8041 58.0449 30.4534 173.8640 138 E 3.9237 8.9554 122.8123 60.1816 28.8792 179.7125 139 Q 4.0580 8.1566 115.5381 58.5933 29.1576 177.5419 140 D 4.7958 7.9904 117.3372 54.4923 41.3584 178.2911 141 I 3.8143 7.5721 122.1908 64.9311 37.1152 177.1722 142 Y 4.2439 8.1230 119.8748 60.3884 38.2986 177.1013 143 E 3.7684 8.3105 118.7299 59.3963 29.6777 179.3575 144 W 4.0580 8.3390 127.8575 60.8003 30.5705 178.0955 145 T 3.8559 7.8134 113.9590 66.6251 67.9861 176.1266 146 K 3.7962 7.4629 119.1555 59.7638 32.0678 178.9608 147 I 3.6510 6.7579 117.6721 63.8308 37.3671 175.7982 148 N 3.9264 7.4743 120.8851 53.1438 38.8502 174.4329 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 23 C 8.19 4.54 0.00 2.98 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 24 G 7.68 2.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.81 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.02 4.42 0.00 3.14 3.23 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 27 Q 8.05 3.94 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 28 Q 7.23 4.71 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 29 N 8.71 4.16 0.00 2.67 2.72 0.00 0.00 7.00 7.45 0.00 0.00 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 I 8.17 3.98 1.46 0.00 0.00 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 1.03 -0.02 0.76 0.00 0.00 31 G 8.72 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 32 D 8.14 4.44 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.72 4.02 0.00 1.66 1.51 0.00 3.19 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 34 Y 7.76 4.76 0.00 3.00 2.87 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 0.00 0.00 0.00 35 F 8.59 5.25 0.00 3.20 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 36 L 9.27 4.91 0.00 1.78 1.64 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.62 5.24 0.00 1.82 1.67 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 0.99 7.81 38 A 9.44 4.61 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.95 3.45 1.82 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 1.39 0.66 0.29 0.00 0.00 40 D 8.21 4.30 0.00 2.71 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 41 Q 7.70 4.31 0.00 2.14 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.79 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 42 Y 7.92 5.24 0.00 2.88 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 43 W 9.69 5.50 0.00 3.25 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 44 H 9.02 5.09 0.00 3.39 3.34 0.00 5.82 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 45 E 8.96 4.13 0.00 2.04 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 0.00 2.42 2.49 0.00 46 D 8.11 4.90 0.00 2.69 2.72 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 47 C 7.99 4.47 0.00 3.44 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 48 L 7.76 4.04 0.00 1.49 1.41 -0.53 0.41 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 49 S 7.85 5.24 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.67 4.38 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 9.18 4.44 0.00 2.70 2.75 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 0.00 0.00 0.00 52 L 7.95 4.37 0.00 1.64 1.70 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.14 4.61 0.00 3.02 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 54 G 8.44 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 55 C 7.70 4.42 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.46 4.43 0.00 1.73 1.93 0.00 3.21 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 57 L 8.16 4.38 0.00 1.44 1.51 0.82 0.79 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 *62 R 8.36 4.07 0.00 1.93 1.88 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 63 R 8.45 3.84 0.00 1.86 1.85 0.00 3.26 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 64 L 8.05 4.78 0.00 1.45 1.33 0.71 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 9.25 4.41 0.00 2.86 2.26 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 66 Y 8.52 5.06 0.00 2.97 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 67 K 8.15 4.39 0.00 1.62 1.05 0.00 1.50 0.00 0.00 1.30 0.00 0.00 2.87 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.88 7.81 68 L 9.35 3.65 0.00 1.80 1.70 1.13 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.84 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 0.00 0.00 0.00 70 R 7.47 4.80 0.00 1.74 1.82 0.00 3.44 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 71 K 9.07 4.81 0.00 1.68 1.67 0.00 1.07 0.00 0.00 1.17 0.00 0.00 3.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.54 1.63 7.81 72 L 9.49 5.29 0.00 1.70 1.64 1.19 0.98 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 73 C 8.56 4.75 0.00 3.14 3.08 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 74 R 8.88 3.66 0.00 2.15 2.11 0.00 3.37 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 75 R 7.75 2.60 0.00 1.38 1.64 0.00 3.16 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.00 76 D 7.85 4.23 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 77 Y 8.20 4.18 0.00 2.97 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 78 L 8.25 3.88 0.00 1.81 1.67 0.99 1.19 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 79 R 7.82 3.85 0.00 1.82 1.85 0.00 3.07 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 80 L 7.09 3.91 0.00 1.48 0.35 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.76 4.64 0.00 2.07 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 82 G 7.43 3.64 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 0.00 83 Q 8.33 4.58 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 84 D 8.72 4.85 0.00 2.85 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 85 G 8.81 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 0.00 0.00 0.00 0.00 86 L 8.14 5.05 0.00 1.57 1.48 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.78 4.36 0.00 2.90 2.87 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 0.00 0.00 0.00 88 A 8.35 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.59 4.56 0.00 4.17 4.05 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 90 C 7.91 4.28 0.00 3.18 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 91 D 7.81 4.39 0.00 2.84 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 92 K 7.26 4.68 0.00 1.92 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.61 7.81 93 R 8.53 4.56 0.00 1.70 1.86 0.00 3.14 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 94 I 8.55 4.64 1.80 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 0.68 1.32 0.86 0.00 0.00 95 R 8.80 4.21 0.00 2.01 1.89 0.00 3.39 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 96 A 8.70 4.04 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 97 Y 7.84 4.63 0.00 2.76 2.98 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 0.00 0.00 0.00 98 E 8.11 4.12 0.00 2.32 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 2.35 2.31 0.00 99 M 8.42 4.49 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 100 T 8.46 5.08 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 0.00 101 M 8.95 4.39 0.00 1.02 1.77 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.34 0.00 102 R 8.40 4.88 0.00 1.67 1.87 0.00 3.15 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 103 V 8.62 4.32 2.42 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 1.27 0.00 0.00 1.11 0.00 0.00 104 K 8.45 3.74 0.00 1.97 1.05 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 105 D 8.91 4.49 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.40 0.00 1.97 1.56 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.66 7.81 107 V 7.83 4.98 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 0.69 0.00 0.00 0.91 0.00 0.00 108 Y 8.88 4.99 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.88 4.51 0.00 3.35 3.27 0.00 5.84 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 0.00 110 L 8.56 3.97 0.00 1.89 1.71 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.22 4.18 0.00 1.98 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 2.30 2.44 0.00 112 C 8.24 4.46 0.00 3.38 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 0.00 113 F 7.83 4.14 0.00 2.95 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 0.00 114 K 7.19 4.52 0.00 1.61 1.24 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.29 7.81 115 C 8.56 4.26 0.00 2.73 2.60 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 0.00 116 A 8.73 3.92 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 0.00 117 A 7.27 4.35 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 0.00 118 C 8.19 4.23 0.00 2.89 3.27 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 0.00 119 Q 8.00 3.97 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 120 K 7.13 3.94 0.00 1.51 1.42 0.00 1.38 0.00 0.00 1.03 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.85 1.14 7.81 121 H 8.24 4.61 0.00 3.13 3.20 0.00 5.74 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 0.00 122 F 8.50 4.85 0.00 3.17 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 0.00 123 C 8.99 4.99 0.00 3.15 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 0.00 124 V 8.32 3.80 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 0.78 0.00 0.00 0.92 0.00 0.00 125 G 8.96 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 0.00 126 D 7.82 4.64 0.00 3.05 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 0.00 127 R 8.55 4.89 0.00 1.88 1.79 0.00 3.25 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 128 Y 8.20 5.19 0.00 2.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.99 4.45 0.00 1.62 1.55 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.36 4.90 0.00 1.75 1.56 1.19 1.10 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 0.00 131 I 8.30 4.41 1.96 0.00 0.00 0.45 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 0.33 1.08 0.00 0.00 132 N 8.45 4.22 0.00 2.97 2.08 0.00 0.00 7.03 7.57 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 0.00 133 S 9.01 4.85 0.00 4.09 3.96 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 0.00 134 D 8.44 4.83 0.00 2.59 2.37 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 0.00 135 I 7.98 4.66 1.60 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.23 0.17 0.00 0.00 136 V 8.28 4.51 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.56 0.00 0.00 137 C 8.86 4.79 0.00 3.34 3.17 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 0.00 138 E 8.96 3.92 0.00 2.34 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 2.35 2.41 0.00 139 Q 8.16 4.06 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 140 D 7.99 4.80 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 0.00 141 I 7.57 3.81 1.96 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 1.40 1.25 1.00 0.00 0.00 142 Y 8.12 4.24 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.31 3.77 0.00 2.13 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 0.00 2.41 2.46 0.00 144 W 8.34 4.06 0.00 3.48 3.27 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 0.00 145 T 7.81 3.86 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 146 K 7.46 3.80 0.00 1.77 1.71 0.00 0.77 0.00 0.00 1.41 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 0.93 7.81 147 I 6.76 3.65 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.33 0.67 0.00 0.00 148 N 7.47 3.93 0.00 2.55 2.84 0.00 0.00 7.02 7.17 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 * Residues marked with a * may have inaccurate shift predictions.