NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 H 4.8803 8.4331 117.3734 54.3865 31.3346 169.7383 -1 G 3.9910 9.1480 109.7420 43.9722 0.0000 172.6781 0 S 4.9469 9.0406 110.4475 56.4859 67.0119 170.0363 1 S 4.8077 8.5714 119.0632 56.4881 66.0066 173.6413 2 T 4.5958 8.2595 111.3228 59.3039 72.2889 175.3112 3 V 3.5622 8.2545 119.8766 66.6663 31.2026 177.4776 4 D 4.3887 8.1276 117.6109 57.5356 40.6410 178.7296 5 E 3.9783 8.0808 118.4739 59.3470 29.4246 179.4001 6 L 4.0103 8.0644 119.0423 57.9726 41.6102 179.4865 7 T 3.9163 8.2671 115.8493 66.8528 68.4332 176.4097 8 A 4.0192 8.3604 122.4412 54.9263 18.1243 179.4005 9 A 3.9542 7.9848 118.5135 55.3690 18.5859 179.2970 10 F 4.3648 8.3419 118.0063 61.5700 39.8085 176.8110 11 T 4.2326 8.5899 108.0787 61.1459 68.8679 175.3204 12 G 3.9776 8.7092 109.8941 46.7654 0.0000 175.3538 13 G 3.9169 8.5517 107.3092 45.0516 0.0000 174.8827 14 A 4.0974 7.4298 121.8797 51.5203 18.9762 177.3949 15 A 4.1579 8.4258 123.4374 52.6570 19.1033 177.2062 16 T 4.7680 8.2918 110.8786 60.3287 71.5072 174.7568 17 G 4.3119 8.6066 111.4162 45.2831 0.0000 171.9078 18 E 5.0043 8.5176 116.0498 55.9316 32.7249 175.9393 19 G 3.7405 8.7086 107.7995 45.6353 0.0000 173.8955 20 G 4.1393 8.8203 103.9991 45.7041 0.0000 173.2313 21 L 4.6638 7.5027 120.9438 54.0441 45.4123 174.7903 22 T 4.6001 9.0788 123.9543 61.6998 70.9090 173.2117 23 L 5.0994 8.5709 127.9352 53.6766 44.6561 175.2843 24 T 4.7349 9.2173 123.7825 61.7982 70.7339 173.5979 25 A 5.0940 8.3234 126.4388 49.8423 22.5082 174.0137 26 P 4.3852 0.0000 0.0000 62.2240 32.4473 176.6201 27 E 4.1308 9.0017 123.0050 59.0969 30.5192 176.3008 28 I 4.8724 7.7529 118.1243 59.2764 39.8353 174.6903 29 A 4.5700 9.0637 129.2983 50.1007 20.4205 177.0209 30 E 3.7578 9.0035 124.2941 58.4800 30.2467 175.3817 31 N 4.9144 7.9410 117.5245 51.4217 40.1012 174.4371 32 G 3.8875 9.4258 115.7022 46.8816 0.0000 173.5099 33 N 4.2452 7.9285 117.0133 54.9641 39.0766 175.9533 34 T 4.6417 7.4834 112.1752 60.6308 68.5786 170.7453 35 V 4.4265 9.0007 125.2504 59.7509 33.7157 172.5724 36 P 4.9645 0.0000 0.0000 62.7911 32.5012 175.7551 37 I 4.8989 8.7867 123.2350 59.4753 41.4146 173.8644 38 E 5.0531 9.4477 126.9357 54.4416 32.7441 174.7131 39 V 5.0139 8.6726 119.6589 59.5582 35.3250 174.8622 40 K 4.9038 8.8909 122.3961 54.9053 36.1179 175.5772 41 A 4.7660 8.8663 126.4368 48.7069 20.0885 171.7482 42 P 4.2042 0.0000 0.0000 64.5366 31.9478 177.1251 43 G 3.8945 9.6185 112.4376 44.9597 0.0000 173.5822 44 A 4.3461 7.5998 123.2271 52.3665 19.0442 178.0218 45 V 4.1976 8.8506 115.4430 63.2812 33.0779 175.9198 46 A 5.2547 7.7589 119.4294 51.2576 22.5966 175.2030 47 I 5.2115 9.2046 121.1833 59.9020 41.3077 174.0355 48 M 4.6614 9.1586 127.5203 53.8154 33.7097 174.4062 49 L 5.1859 8.5753 125.9739 53.3467 44.2093 175.5698 50 L 5.2041 9.2684 122.1286 52.8196 46.2839 175.5959 51 A 4.9867 8.9191 123.3660 50.1549 20.7316 177.0533 52 A 4.0407 8.9662 125.6789 54.5775 18.6989 178.1933 53 G 4.0099 8.9162 103.5888 45.1943 0.0000 173.7880 54 N 4.6946 7.9219 117.3341 51.6021 39.5403 173.3596 55 P 4.3775 0.0000 0.0000 65.0842 31.3909 176.5000 56 E 4.7540 7.7626 116.2525 53.7152 32.6528 174.2435 57 P 4.7329 0.0000 0.0000 64.2410 31.9705 176.7939 58 A 4.3130 7.8074 120.6340 52.1703 18.5652 175.4996 59 V 4.1333 7.5848 118.6003 62.5208 34.0653 174.9181 60 A 4.3254 7.2680 118.0361 51.3770 23.2940 174.3576 61 T 4.6960 8.0337 115.6274 61.6872 71.5492 173.7839 62 F 4.3296 9.1262 126.6025 56.5186 40.2149 174.5534 63 N 5.2640 8.5432 121.9690 51.8584 39.8939 174.5780 64 F 4.6522 8.8728 123.4107 56.2103 40.5810 176.3714 65 G 4.0986 8.5652 112.6270 43.1380 0.0000 172.2856 66 P 4.2247 0.0000 0.0000 64.9387 31.2001 177.4634 67 A 4.3459 7.8991 118.4267 51.9965 19.2231 176.9544 68 A 4.2024 8.0288 120.3963 51.6787 18.9417 178.0472 69 A 4.1341 8.7122 126.7415 54.8932 18.7767 176.4097 70 D 4.5263 7.5607 112.3493 53.0801 42.5241 174.6499 71 Q 3.2527 8.0451 115.8267 55.1207 28.2348 175.5694 72 R 5.1027 7.7236 118.5293 54.7822 32.4635 175.4561 73 A 4.7609 8.9568 125.9268 50.8392 23.0211 174.7536 74 A 4.9552 8.0245 119.6318 51.3684 22.8011 175.3401 75 T 4.4729 8.2898 113.2045 61.8187 71.6927 171.8540 76 R 5.3372 8.6242 120.4149 54.3678 33.4403 175.2154 77 I 4.7586 8.8144 115.5675 59.2609 41.6969 174.0021 78 R 5.0655 8.4885 121.3945 54.7841 31.7135 175.8841 79 L 4.9238 9.1199 123.8449 52.8883 43.7224 176.9924 80 A 4.0864 9.5561 128.2708 54.8660 18.6200 176.6111 81 Q 4.5033 7.5380 111.0649 55.1792 30.9301 173.5681 82 T 4.2259 8.3815 114.9718 64.7964 68.7854 173.6590 83 Q 4.5593 8.8210 122.3024 55.6246 32.8739 172.4541 84 D 5.1215 8.3852 119.6454 53.6256 42.5820 175.9051 85 V 4.4748 8.8333 124.5029 62.1408 33.2341 174.6328 86 I 5.0815 8.9277 128.3802 59.4517 40.3098 174.3240 87 A 5.2251 8.8485 126.8798 50.0890 22.3129 174.8598 88 L 5.1711 9.1542 122.0425 52.8609 44.9409 175.3015 89 A 5.2653 9.0450 126.2802 50.1161 21.4842 174.7626 90 K 4.9281 9.4275 125.2175 55.3822 34.2764 176.0429 91 M 4.8122 9.0020 127.3124 53.8944 33.7283 177.3351 92 A 4.0378 8.6309 122.8303 55.0067 18.6295 178.2650 93 D 4.5322 8.0026 113.2580 53.6933 39.8472 177.1343 94 G 3.9392 8.1365 109.6591 45.2388 0.0000 174.3666 95 S 4.4426 7.9770 114.4170 58.3931 64.8009 173.6357 96 V 4.9396 8.0874 119.7015 61.6740 34.7679 174.4275 97 V 4.8034 8.6669 120.9965 59.8736 34.2604 174.7169 98 K 5.1594 8.7174 123.4892 54.7428 34.7870 175.0793 99 A 4.9506 8.9330 127.6529 50.5630 23.1787 174.3485 100 Q 5.0310 8.3248 118.2605 55.4859 32.2448 173.5097 101 T 4.7116 8.8555 119.9675 60.9199 71.3908 172.3772 102 T 4.7687 8.5478 124.9882 62.7735 70.0448 174.1577 103 V 4.3287 9.1741 127.2871 60.9584 33.9690 174.8118 104 K 4.5973 8.9833 128.4310 56.0833 33.5856 176.2470 105 V 4.8232 8.1941 123.3641 60.9987 33.9435 175.4400 106 T 3.9693 8.7566 125.0795 63.6290 69.4178 173.7620 107 I 3.6160 8.4246 126.1788 63.2454 37.4351 175.4352 108 G 4.0557 9.2664 113.6022 45.1639 0.0000 174.0607 109 G 4.1062 7.6213 109.4022 42.8980 0.0000 171.8525 109 G 4.1062 7.6213 109.4022 42.8980 0.0000 171.8525 112 G 4.1319 8.5910 107.2941 45.9586 0.0000 173.6557 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 H 8.43 4.88 0.00 2.95 2.94 0.00 7.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 G 9.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 9.04 4.95 0.00 3.78 3.69 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 1 S 8.57 4.81 0.00 3.91 3.77 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 2 T 8.26 4.60 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 1.26 0.00 0.00 3 V 8.25 3.56 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 1.15 0.00 0.00 0.92 0.00 0.00 4 D 8.13 4.39 0.00 2.73 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 5 E 8.08 3.98 0.00 2.15 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 2.34 2.35 0.00 6 L 8.06 4.01 0.00 1.82 1.70 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.27 3.92 4.45 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 0.00 0.00 0.00 1.27 0.00 0.00 8 A 8.36 4.02 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 9 A 7.98 3.95 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.34 4.36 0.00 3.04 3.28 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 11 T 8.59 4.23 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 1.37 0.00 0.00 12 G 8.71 3.98 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 0.00 0.00 0.00 13 G 8.55 3.92 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 14 A 7.43 4.10 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 15 A 8.43 4.16 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 16 T 8.29 4.77 4.28 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 1.26 0.00 0.00 17 G 8.61 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 0.00 0.00 0.00 0.00 18 E 8.52 5.00 0.00 1.93 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 2.18 2.32 0.00 19 G 8.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.82 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.50 4.66 0.00 1.53 1.53 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.08 4.60 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 1.20 0.00 0.00 23 L 8.57 5.10 0.00 1.59 1.53 0.93 1.02 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 24 T 9.22 4.73 4.23 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 1.21 0.00 0.00 25 A 8.32 5.09 1.18 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 0.00 0.00 26 P 0.00 4.39 0.00 2.21 1.99 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 27 E 9.00 4.13 0.00 2.05 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 0.00 2.38 2.35 0.00 28 I 7.75 4.87 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 1.28 1.05 0.91 0.00 0.00 29 A 9.06 4.57 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 30 E 9.00 3.76 0.00 2.06 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 2.37 2.36 0.00 31 N 7.94 4.91 0.00 2.79 2.65 0.00 0.00 7.11 8.03 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 32 G 9.43 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 33 N 7.93 4.25 0.00 2.85 2.88 0.00 0.00 6.63 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.48 4.64 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 35 V 9.00 4.43 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 1.02 0.00 0.00 0.98 0.00 0.00 36 P 0.00 4.96 0.00 2.12 2.04 0.00 3.76 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 1.99 2.00 0.00 37 I 8.79 4.90 1.92 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 1.32 1.44 0.94 0.00 0.00 38 E 9.45 5.05 0.00 1.93 1.72 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 2.14 2.33 0.00 39 V 8.67 5.01 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 0.73 0.00 0.00 0.83 0.00 0.00 40 K 8.89 4.90 0.00 1.62 1.58 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.30 1.33 7.81 41 A 8.87 4.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.20 0.00 2.01 1.99 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 43 G 9.62 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 44 A 7.60 4.35 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 45 V 8.85 4.20 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 0.77 0.00 0.00 1.05 0.00 0.00 46 A 7.76 5.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 9.20 5.21 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 1.08 0.00 0.00 48 M 9.16 4.66 0.00 1.06 0.57 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 49 L 8.58 5.19 0.00 1.66 1.57 1.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.27 5.20 0.00 1.46 1.47 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.92 4.99 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 52 A 8.97 4.04 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 53 G 8.92 4.01 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 54 N 7.92 4.69 0.00 2.79 2.80 0.00 0.00 6.99 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 55 P 0.00 4.38 0.00 2.16 2.19 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 56 E 7.76 4.75 0.00 1.91 1.83 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 2.18 2.21 0.00 57 P 0.00 4.73 0.00 2.16 2.07 0.00 3.86 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 2.19 2.03 0.00 58 A 7.81 4.31 1.19 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 59 V 7.58 4.13 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 0.84 0.00 0.00 0.97 0.00 0.00 60 A 7.27 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.03 4.70 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 62 F 9.13 4.33 0.00 2.71 2.41 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 63 N 8.54 5.26 0.00 2.56 2.78 0.00 0.00 7.13 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 64 F 8.87 4.65 0.00 2.97 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 65 G 8.57 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 0.00 0.00 0.00 66 P 0.00 4.22 0.00 2.07 2.16 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 67 A 7.90 4.35 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 8.03 4.20 1.54 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 0.00 0.00 69 A 8.71 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.56 4.53 0.00 2.63 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 71 Q 8.05 3.25 0.00 1.73 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 72 R 7.72 5.10 0.00 1.68 1.89 0.00 3.36 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 73 A 8.96 4.76 0.54 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 0.00 0.00 74 A 8.02 4.96 1.18 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 0.00 0.00 75 T 8.29 4.47 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 76 R 8.62 5.34 0.00 1.70 1.78 0.00 3.21 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 77 I 8.81 4.76 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 1.38 1.35 0.94 0.00 0.00 78 R 8.49 5.07 0.00 1.70 1.88 0.00 3.14 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 79 L 9.12 4.92 0.00 1.42 1.54 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 A 9.56 4.09 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 81 Q 7.54 4.50 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 82 T 8.38 4.23 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 83 Q 8.82 4.56 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 84 D 8.39 5.12 0.00 2.70 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 85 V 8.83 4.47 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 1.00 0.00 0.00 0.94 0.00 0.00 86 I 8.93 5.08 1.86 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 1.16 0.56 0.98 0.00 0.00 87 A 8.85 5.23 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 88 L 9.15 5.17 0.00 1.48 1.81 0.98 0.73 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 89 A 9.04 5.27 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 90 K 9.43 4.93 0.00 1.46 1.68 0.00 1.35 0.00 0.00 1.07 0.00 0.00 2.19 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.22 1.27 7.81 91 M 9.00 4.81 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 92 A 8.63 4.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.00 4.53 0.00 2.79 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 94 G 8.14 3.94 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 0.00 0.00 0.00 95 S 7.98 4.44 0.00 3.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.09 4.94 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 1.27 0.00 0.00 0.88 0.00 0.00 97 V 8.67 4.80 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 0.66 0.00 0.00 1.02 0.00 0.00 98 K 8.72 5.16 0.00 1.77 1.66 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 99 A 8.93 4.95 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 0.00 100 Q 8.32 5.03 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 101 T 8.86 4.71 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 1.22 0.00 0.00 102 T 8.55 4.77 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 1.26 0.00 0.00 103 V 9.17 4.33 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 1.03 0.00 0.00 0.93 0.00 0.00 104 K 8.98 4.60 0.00 1.84 1.70 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.38 7.81 105 V 8.19 4.82 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 0.78 0.00 0.00 0.95 0.00 0.00 106 T 8.76 3.97 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 0.00 107 I 8.42 3.62 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 1.35 0.46 0.91 0.00 0.00 108 G 9.27 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 0.00 0.00 0.00 109 G 7.62 4.11 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 0.00 0.00 0.00 109 G 7.62 4.11 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 0.00 0.00 0.00 112 G 8.59 4.13 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.