NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3042 8.3344 116.7801 58.5078 64.1400 173.7894 3 S 4.2633 8.1666 117.7940 55.2925 60.8065 172.3365 4 Q 4.5415 8.6651 130.6773 56.0069 29.6647 176.0942 5 T 4.4831 7.6750 111.1204 64.1288 70.1110 175.1499 6 E 4.0537 8.0915 123.6273 57.0043 30.7760 175.8855 7 R 5.0799 8.4221 123.7869 54.8749 33.9595 174.4161 8 T 4.6749 8.8176 118.0365 60.3788 71.1537 172.2585 9 F 5.4500 8.6081 126.9662 56.6898 41.4721 174.3119 10 I 4.5060 8.5512 127.0410 59.3728 40.0011 174.2780 11 A 4.8138 8.1936 129.4943 49.6875 21.9339 175.3949 12 V 4.1528 8.7414 122.6163 61.7532 32.5843 175.9331 13 K 4.0726 8.4976 127.8375 56.1261 33.1857 176.4772 14 P 4.6004 0.0000 0.0000 63.9377 31.9212 178.7300 15 D 4.5320 8.6063 119.3808 56.7789 39.3431 178.6127 16 G 3.9809 7.9811 107.7404 47.0117 0.0000 175.5737 17 V 3.5439 7.6516 121.1992 65.6541 31.4611 178.2690 18 Q 4.0962 8.0495 116.0517 58.4168 28.5897 178.1033 19 R 4.3483 7.8622 117.1607 56.2017 30.4708 177.2741 20 G 3.8697 7.8493 107.1481 46.0237 0.0000 174.4091 21 L 4.1927 7.7720 117.9647 54.3655 41.5012 178.5568 22 V 3.5449 7.4960 119.8216 66.4751 31.5089 178.1722 23 S 4.1354 7.9087 114.2164 61.3179 62.5726 176.0138 24 Q 3.9844 8.0479 121.0401 59.5546 29.0877 178.4316 25 I 3.9365 7.9765 120.6225 64.5299 37.2419 178.4837 26 L 4.2493 8.2583 119.7717 57.7674 41.3430 179.6543 27 S 4.2101 8.2268 115.4416 62.0304 62.3418 177.1369 28 R 4.0067 7.9813 119.9808 58.7993 29.4925 179.3053 29 F 3.4746 8.0015 117.3059 60.1082 38.9964 176.8058 30 E 4.2871 8.0971 119.1645 59.7830 29.1900 179.3035 31 K 4.0947 8.3248 117.2831 59.3900 32.8489 178.6412 32 K 3.8437 7.2769 119.3171 57.6788 32.0173 177.1659 33 G 4.0603 7.5546 105.2412 45.2037 0.0000 173.3553 34 Y 4.9618 7.9237 118.1410 57.6511 39.9485 174.3973 35 K 4.9305 8.9691 122.2850 54.5948 34.3452 175.0198 36 L 3.4236 8.9476 130.2767 54.9845 42.3342 176.5315 37 V 4.6272 8.0491 122.3215 62.8076 34.3862 174.3593 38 A 4.4965 7.1960 119.0284 51.6377 22.2434 174.9046 39 I 4.8322 8.2878 116.0068 60.3121 41.0004 173.4350 40 K 4.7432 9.1245 127.3214 55.7574 36.4850 174.0928 41 L 5.2606 8.4237 123.2830 53.5474 43.7977 175.9099 42 V 4.5487 8.5416 124.7476 60.1785 35.2267 173.3846 43 K 4.5729 8.6508 125.4673 55.2219 32.8189 176.2724 44 A 4.0304 8.6227 130.7985 52.1099 19.3274 176.0587 45 D 4.6451 8.1622 120.8451 53.1705 42.8901 176.8112 46 D 4.3985 8.8370 125.4078 58.3078 40.6664 179.0654 47 K 4.0207 8.1572 118.5211 58.3594 31.8819 178.9451 48 L 3.5726 7.4399 121.5492 58.2627 42.6101 179.3658 49 L 4.1438 7.9796 118.7198 57.7415 41.6810 178.7904 50 E 4.2231 7.9372 116.5478 58.1865 29.5703 177.3631 51 Q 4.3519 7.5356 117.9739 58.7888 29.7996 176.0709 52 H 4.2116 8.0973 119.2788 58.7273 31.3118 175.6725 53 Y 4.6739 7.7171 119.5942 57.1884 36.2234 177.7110 54 A 4.2276 7.6789 123.4711 51.5619 18.2480 178.8100 *62 F 4.8090 8.0833 114.9177 56.6888 39.9339 174.8688 63 P 3.9177 0.0000 0.0000 65.9624 31.0800 177.6153 64 K 4.1442 7.8574 115.5422 58.8898 32.6169 178.4923 65 M 4.2452 8.5199 119.2125 58.6001 32.1458 177.4978 66 V 3.5675 7.6417 118.2732 66.4484 31.3443 177.3269 67 S 4.3666 7.7009 113.7558 59.7578 63.5044 175.6783 68 F 4.4588 7.8570 124.3321 62.0603 39.0874 176.9905 69 M 3.6573 7.7201 116.3727 57.8326 32.1154 178.4758 70 K 4.1803 7.9245 118.3576 58.5006 32.2804 178.4747 71 S 4.5934 7.7518 112.7300 59.0555 63.1061 173.4133 72 G 4.0756 7.0995 109.4379 43.8797 0.0000 170.4790 73 P 4.7882 0.0000 0.0000 62.2381 33.6605 175.0163 74 I 4.5775 8.6230 120.7154 59.3966 40.7266 174.9275 75 L 4.6501 8.3950 129.6634 54.1907 42.6774 174.9884 76 A 4.5770 8.6501 129.9308 51.2633 19.8973 176.1553 77 T 5.1849 8.5647 112.3583 59.9235 73.1143 173.0557 78 V 4.8759 8.3837 121.8667 60.9287 35.0557 174.2108 79 W 5.3375 9.0795 126.6754 55.0050 32.6805 174.0356 80 E 4.9992 10.5872 126.0724 54.2936 31.3963 174.8088 81 G 4.4776 7.9588 113.3270 43.1632 0.0000 172.7408 82 K 3.9485 8.2789 123.0123 57.5534 32.6876 175.9984 83 D 4.6129 8.9602 123.8956 54.7736 40.1604 175.8844 84 V 3.8916 7.7137 120.2545 63.7863 31.2923 177.1943 85 V 3.5878 7.9922 118.6846 66.0274 31.4743 178.0509 86 R 3.9635 7.5802 115.7880 59.5697 29.9553 178.5979 87 Q 4.1707 8.6394 118.2441 58.4707 28.5459 178.8014 88 G 3.7118 8.5811 107.4433 48.1094 0.0000 175.7782 89 R 3.9895 8.1718 121.3844 59.1291 29.8320 179.3439 90 T 3.8150 7.7107 114.4064 66.8459 68.8016 176.3547 91 I 3.7040 8.0635 121.9719 64.5463 36.9538 178.5615 92 L 4.0874 8.3799 120.2503 54.9198 41.4092 178.6189 93 G 4.2320 7.7045 101.9717 44.6554 0.0000 172.3274 94 A 3.9336 8.2256 120.5494 52.0880 18.9324 178.2029 95 T 3.9222 8.5761 112.5363 64.4974 69.3537 174.2419 96 N 4.5000 8.0775 122.1883 52.1368 38.7383 172.9190 97 P 4.7486 0.0000 0.0000 65.1830 31.5172 178.3294 98 L 4.2275 8.0773 114.1895 55.9635 41.1912 177.9145 99 G 4.1675 8.2135 105.3305 45.4281 0.0000 173.0373 100 S 4.5166 7.9958 114.9377 56.8239 64.6016 173.5735 101 A 4.5682 8.1023 124.4321 50.5637 19.6393 175.5614 102 P 4.4545 0.0000 0.0000 63.7733 31.9575 176.6579 103 G 3.9858 9.4052 110.3325 45.5077 0.0000 174.6091 104 T 4.5919 7.3060 109.7138 60.1350 72.2134 175.8301 105 I 3.8915 8.3334 123.1175 64.8245 37.1404 179.1928 106 R 4.1661 8.5121 119.4070 59.0810 29.6792 179.1760 107 G 3.6758 7.8531 104.0974 47.1377 0.0000 175.2368 108 D 4.2391 8.0018 120.6123 55.9183 41.0053 177.1446 109 F 4.9670 7.9311 114.6187 56.7573 41.1121 175.3304 110 G 4.3763 7.9762 108.8860 43.8205 0.0000 173.1042 111 I 4.3531 8.2646 118.2790 61.6981 40.3579 175.5875 112 D 4.8147 7.7980 119.5486 52.0193 42.6351 176.1166 113 L 3.8902 8.9259 129.1060 58.4032 42.0916 178.6270 114 G 3.6504 7.8884 105.6885 47.5123 0.0000 173.8823 115 R 4.5775 7.8584 119.3665 53.9339 29.8041 175.1740 116 N 4.9504 8.0915 119.3992 52.3043 38.8811 177.3312 117 V 3.9081 8.9396 125.6160 64.7449 31.9051 170.8000 118 C 5.3937 7.5712 109.8990 57.3943 33.0390 172.0578 119 H 5.0273 9.5641 118.3946 54.3855 32.7742 172.2653 120 G 4.6449 8.3421 110.1988 44.6657 0.0000 171.9687 121 S 4.8864 8.2186 115.1570 58.0972 63.6132 174.6106 122 D 4.8812 8.7747 119.3571 53.5288 40.7046 176.5831 123 S 4.6444 7.6489 113.1651 55.6273 66.7256 173.9079 124 V 3.5668 8.5369 126.5736 66.7059 31.0409 177.9740 125 D 4.4031 8.2092 117.5949 57.7603 40.5534 178.8298 126 S 4.1674 8.0740 114.6339 61.4332 62.8759 175.9961 127 A 4.0836 8.6070 123.5451 55.6167 18.2753 179.3101 128 E 3.8471 8.3520 117.3501 59.4218 29.6039 179.0088 129 R 3.9012 7.7690 118.8389 59.3665 30.1542 178.2830 130 E 3.9733 8.3277 118.5377 59.4594 29.4896 179.2521 131 I 3.7655 8.3266 120.0707 64.7381 37.0840 178.2948 132 N 4.8683 7.8087 115.8048 54.8337 38.3010 177.0344 133 L 4.0568 7.4268 121.8865 57.9184 42.4935 178.6042 134 W 3.9043 8.0495 117.3542 58.0103 29.5867 176.4268 135 F 5.0843 8.5416 116.5648 55.4721 42.3921 174.4099 136 K 4.5617 9.0304 122.7252 55.4784 32.6709 178.6545 137 K 4.0490 8.5615 119.9509 59.6371 32.3551 179.5307 138 E 4.0244 8.3486 117.4992 59.4979 29.4577 178.2875 139 E 4.1080 7.8104 116.6597 58.7625 29.7248 177.1141 140 L 4.4440 7.3647 118.6061 54.0289 42.3653 176.7383 141 V 4.4097 8.7095 125.0351 61.6081 32.8863 174.7084 142 D 5.3823 8.7606 126.2848 51.4556 41.8427 174.8082 143 W 5.2486 8.5193 117.4757 54.9132 31.5512 173.2887 144 E 4.2177 8.5728 119.3879 54.3988 30.2883 175.3060 145 S 4.0652 7.9236 120.8848 57.6675 63.1557 173.8364 146 N 4.3257 9.2899 126.6591 57.2777 38.7911 176.3619 147 Q 4.3119 8.2531 115.4539 57.5202 28.7664 177.7962 148 A 4.0378 8.1015 123.6549 55.3523 18.1997 179.7312 149 K 3.8913 8.1335 114.4456 58.8516 32.5074 177.1882 150 W 4.7293 8.1066 117.7416 56.5538 30.5243 176.2728 151 I 4.1309 7.6460 118.5679 62.0664 37.5087 175.6852 152 Y 5.0497 7.4653 115.8441 55.8609 41.5877 174.9356 153 E 4.1696 8.9887 121.5859 56.8177 29.5681 176.8823 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 4.30 0.00 3.74 3.75 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 3 S 8.17 4.26 0.00 3.86 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 4 Q 8.67 4.54 0.00 1.65 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.87 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 5 T 7.67 4.48 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 1.17 0.00 0.00 6 E 8.09 4.05 0.00 2.01 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 0.00 2.37 2.36 0.00 7 R 8.42 5.08 0.00 1.67 1.77 0.00 3.19 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.81 0.00 8 T 8.82 4.67 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 1.36 0.00 0.00 9 F 8.61 5.45 0.00 3.09 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 10 I 8.55 4.51 1.72 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 1.04 0.22 0.52 0.00 0.00 11 A 8.19 4.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.74 4.15 2.03 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 0.98 0.00 0.00 0.88 0.00 0.00 13 K 8.50 4.07 0.00 2.14 1.82 0.00 2.03 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.41 7.81 14 P 0.00 4.60 0.00 2.01 2.02 0.00 3.35 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 15 D 8.61 4.53 0.00 2.98 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 16 G 7.98 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 17 V 7.65 3.54 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 1.01 0.00 0.00 1.00 0.00 0.00 18 Q 8.05 4.10 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 19 R 7.86 4.35 0.00 1.95 1.96 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 20 G 7.85 3.87 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 0.00 0.00 0.00 21 L 7.77 4.19 0.00 1.64 1.28 0.63 0.38 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 22 V 7.50 3.54 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 1.15 0.00 0.00 0.91 0.00 0.00 23 S 7.91 4.14 0.00 3.91 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 24 Q 8.05 3.98 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 1.97 2.48 0.00 25 I 7.98 3.94 2.08 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 1.57 0.95 0.94 0.00 0.00 26 L 8.26 4.25 0.00 1.95 2.03 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.23 4.21 0.00 4.15 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 28 R 7.98 4.01 0.00 1.69 1.81 0.00 3.28 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 29 F 8.00 3.47 0.00 1.67 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 30 E 8.10 4.29 0.00 2.36 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 2.43 2.54 0.00 31 K 8.32 4.09 0.00 1.88 1.92 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.36 7.81 32 K 7.28 3.84 0.00 1.50 1.52 0.00 1.36 0.00 0.00 1.36 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.40 0.82 7.81 33 G 7.55 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 34 Y 7.92 4.96 0.00 3.12 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 35 K 8.97 4.93 0.00 1.89 1.78 0.00 0.65 0.00 0.00 1.26 0.00 0.00 2.74 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.00 0.59 7.81 36 L 8.95 3.42 0.00 0.95 1.37 -0.31 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.05 4.63 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 0.83 0.00 0.00 1.03 0.00 0.00 38 A 7.20 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.29 4.83 1.74 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 1.41 0.62 0.84 0.00 0.00 40 K 9.12 4.74 0.00 1.88 1.93 0.00 1.30 0.00 0.00 1.73 0.00 0.00 2.46 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.39 1.37 7.81 41 L 8.42 5.26 0.00 1.66 1.60 0.93 0.87 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 42 V 8.54 4.55 2.11 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 0.96 0.00 0.00 0.91 0.00 0.00 43 K 8.65 4.57 0.00 1.78 1.73 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 44 A 8.62 4.03 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 45 D 8.16 4.65 0.00 2.59 2.50 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 46 D 8.84 4.40 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.02 0.00 1.68 1.71 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.38 7.81 48 L 7.44 3.57 0.00 1.32 1.46 -0.26 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.98 4.14 0.00 1.99 1.77 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.94 4.22 0.00 2.26 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 2.45 2.41 0.00 51 Q 7.54 4.35 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 52 H 8.10 4.21 0.00 3.24 3.39 0.00 6.00 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.72 4.67 0.00 3.22 3.03 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 54 A 7.68 4.23 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 *62 F 8.08 4.81 0.00 3.21 3.19 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 63 P 0.00 3.92 0.00 2.03 2.17 0.00 3.81 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 64 K 7.86 4.14 0.00 1.71 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 65 M 8.52 4.25 0.00 2.00 2.08 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 2.63 2.67 0.00 66 V 7.64 3.57 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 0.94 0.00 0.00 0.48 0.00 0.00 67 S 7.70 4.37 0.00 4.07 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 68 F 7.86 4.46 0.00 3.16 3.33 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 69 M 7.72 3.66 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.03 0.00 70 K 7.92 4.18 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.65 7.81 71 S 7.75 4.59 0.00 4.07 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 0.00 72 G 7.10 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 0.00 0.00 0.00 73 P 0.00 4.79 0.00 2.13 2.19 0.00 3.62 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 1.99 0.00 74 I 8.62 4.58 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.85 0.00 0.00 75 L 8.40 4.65 0.00 1.73 1.54 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.65 4.58 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 77 T 8.56 5.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 78 V 8.38 4.88 1.73 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 0.96 0.00 0.00 0.43 0.00 0.00 79 W 9.08 5.34 0.00 3.30 3.12 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 0.00 0.00 0.00 80 E 10.59 5.00 0.00 2.02 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 2.23 2.29 0.00 81 G 7.96 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 0.00 0.00 0.00 0.00 82 K 8.28 3.95 0.00 1.63 1.97 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.39 7.81 83 D 8.96 4.61 0.00 2.88 2.73 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 84 V 7.71 3.89 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 1.26 0.00 0.00 0.65 0.00 0.00 85 V 7.99 3.59 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 1.00 0.00 0.00 1.02 0.00 0.00 86 R 7.58 3.96 0.00 1.90 2.09 0.00 3.33 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 87 Q 8.64 4.17 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 88 G 8.58 3.71 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 0.00 89 R 8.17 3.99 0.00 2.00 2.05 0.00 3.34 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 90 T 7.71 3.82 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 1.16 0.00 0.00 91 I 8.06 3.70 1.69 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.64 0.00 0.00 92 L 8.38 4.09 0.00 1.72 1.77 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.70 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 0.00 0.00 0.00 0.00 94 A 8.23 3.93 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 95 T 8.58 3.92 4.30 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 1.28 0.00 0.00 96 N 8.08 4.50 0.00 2.84 2.78 0.00 0.00 7.17 7.71 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 97 P 0.00 4.75 0.00 2.31 2.17 0.00 4.02 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 2.30 2.14 0.00 98 L 8.08 4.23 0.00 1.78 1.71 0.92 0.84 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 99 G 8.21 4.17 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 0.00 100 S 8.00 4.52 0.00 4.03 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 0.00 101 A 8.10 4.57 1.25 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 0.00 0.00 102 P 0.00 4.45 0.00 2.00 1.93 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 103 G 9.41 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 0.00 104 T 7.31 4.59 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 1.27 0.00 0.00 105 I 8.33 3.89 1.98 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 1.75 1.25 1.07 0.00 0.00 106 R 8.51 4.17 0.00 1.86 2.02 0.00 3.34 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 107 G 7.85 3.68 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 0.00 0.00 0.00 108 D 8.00 4.24 0.00 1.96 1.63 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 0.00 109 F 7.93 4.97 0.00 3.23 3.04 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 0.00 110 G 7.98 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 0.00 0.00 0.00 0.00 111 I 8.26 4.35 1.88 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 1.31 0.74 0.91 0.00 0.00 112 D 7.80 4.81 0.00 2.64 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 0.00 113 L 8.93 3.89 0.00 1.64 1.72 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.89 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.86 4.58 0.00 1.73 2.05 0.00 3.12 0.00 0.00 2.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 116 N 8.09 4.95 0.00 2.86 3.17 0.00 0.00 6.33 7.68 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 0.00 117 V 8.94 3.91 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 0.97 0.00 0.00 1.08 0.00 0.00 118 C 7.57 5.39 0.00 3.08 2.86 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 0.00 119 H 9.56 5.03 0.00 3.28 3.11 0.00 5.72 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 0.00 120 G 8.34 4.64 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 0.00 121 S 8.22 4.89 0.00 3.94 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 0.00 122 D 8.77 4.88 0.00 2.81 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 0.00 123 S 7.65 4.64 0.00 3.89 3.76 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 0.00 124 V 8.54 3.57 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 1.02 0.00 0.00 0.95 0.00 0.00 125 D 8.21 4.40 0.00 2.74 2.73 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 0.00 126 S 8.07 4.17 0.00 4.19 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 0.00 127 A 8.61 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.35 3.85 0.00 2.19 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 2.32 2.33 0.00 129 R 7.77 3.90 0.00 1.98 2.01 0.00 3.30 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 130 E 8.33 3.97 0.00 2.27 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 0.00 2.28 2.43 0.00 131 I 8.33 3.77 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 1.62 1.01 0.93 0.00 0.00 132 N 7.81 4.87 0.00 2.89 2.90 0.00 0.00 6.91 7.34 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 0.00 133 L 7.43 4.06 0.00 1.65 1.92 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.05 3.90 0.00 3.16 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 0.00 135 F 8.54 5.08 0.00 2.94 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 0.00 136 K 9.03 4.56 0.00 1.91 1.75 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 137 K 8.56 4.05 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 138 E 8.35 4.02 0.00 1.98 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 0.00 2.33 2.36 0.00 139 E 7.81 4.11 0.00 2.34 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 2.44 2.36 0.00 140 L 7.36 4.44 0.00 1.53 1.53 0.89 0.54 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 0.00 141 V 8.71 4.41 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 0.78 0.00 0.00 0.88 0.00 0.00 142 D 8.76 5.38 0.00 2.70 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 0.00 143 W 8.52 5.25 0.00 3.52 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 0.00 144 E 8.57 4.22 0.00 1.94 1.90 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 2.19 2.22 0.00 145 S 7.92 4.07 0.00 3.28 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 0.00 146 N 9.29 4.33 0.00 2.83 3.00 0.00 0.00 7.20 7.08 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 0.00 147 Q 8.25 4.31 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 148 A 8.10 4.04 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 0.00 149 K 8.13 3.89 0.00 1.44 1.79 0.00 1.30 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.39 1.60 7.81 150 W 8.11 4.73 0.00 3.41 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 0.00 151 I 7.65 4.13 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 -0.34 0.00 0.00 152 Y 7.47 5.05 0.00 3.00 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 0.00 153 E 8.99 4.17 0.00 2.00 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 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.