NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2987 8.1749 115.2436 62.1682 68.3575 173.5029 4 R 4.1403 8.2536 123.9729 55.5824 31.0621 175.0579 5 L 4.1310 8.0144 116.0824 54.5256 45.4105 174.1822 6 E 4.2766 8.4160 128.0827 55.1442 28.1659 177.4177 7 W 4.3510 8.4076 121.9953 58.9762 28.3536 178.2107 8 A 3.4135 6.4513 120.8004 54.6552 17.7317 179.2491 9 K 3.9650 7.5485 115.4787 59.2008 32.2743 179.0884 10 A 4.3678 7.8812 120.2493 53.8759 19.5053 178.0017 11 S 4.5685 8.4975 115.4601 54.7101 62.9374 172.0235 12 P 4.4283 0.0000 0.0000 65.4371 31.0987 177.5805 13 D 4.3834 8.1714 116.8268 57.2818 40.6129 178.3767 14 A 4.0726 7.5549 118.7662 55.4166 18.5096 178.7361 15 Y 4.4786 7.8525 116.0511 61.0253 39.1969 177.8941 16 A 4.0124 8.2542 121.4641 54.6929 18.4107 179.6359 17 A 3.7652 8.0637 115.7925 53.4292 18.1973 179.0990 *19 L 4.3995 7.9743 122.5317 56.0535 43.8633 179.6235 20 G 3.7066 7.9643 105.1735 47.5080 0.0000 175.8232 21 L 4.0699 7.5806 120.7391 57.9481 41.6124 179.3722 22 E 4.2024 8.2871 118.0088 59.1905 29.5493 179.4500 23 K 4.0171 8.1040 118.6618 59.1353 31.9025 179.1959 24 A 4.0111 7.8067 120.3617 55.1438 18.5108 179.3783 25 L 4.1665 7.8343 115.8228 57.9832 40.8624 178.6165 26 A 4.0985 8.2831 122.0292 54.1645 19.5460 178.9200 27 K 4.3395 7.7347 117.8940 54.7963 29.4236 176.0440 28 A 4.8260 6.9587 121.3418 50.1023 22.3255 177.0793 29 G 3.7708 8.8589 108.3467 46.4924 0.0000 173.7597 30 L 4.2243 7.6921 122.7162 54.0564 43.0077 176.7152 31 E 3.8944 8.9915 124.4203 57.1499 30.5422 178.1515 32 R 3.8718 8.7273 123.4746 59.2511 30.1486 176.8164 33 P 4.2295 0.0000 0.0000 65.2625 31.2485 178.4325 34 L 3.9822 7.8465 118.8928 58.2089 42.1127 178.6203 35 I 3.7460 7.6450 119.5197 64.6839 36.9501 178.1541 36 E 3.9004 8.3990 119.3419 59.4702 29.2717 179.4924 37 L 4.0378 7.7935 118.8021 57.4316 41.6555 179.6549 38 V 3.5802 8.0336 118.4088 66.2172 31.5323 177.6682 39 Y 3.8950 8.4763 116.6328 60.9240 37.7018 178.4197 40 L 3.9799 8.2401 121.2880 58.2865 42.2227 178.9010 41 R 4.2034 7.9947 119.9050 59.2638 29.9108 178.6185 42 T 3.8681 7.9213 115.4589 66.8171 68.3720 176.9977 43 S 4.3284 8.1895 117.0521 61.4112 62.7374 176.8043 44 Q 3.9992 8.1408 120.9668 59.1078 28.3338 178.5902 45 I 3.7977 7.6971 119.4110 64.6523 37.1972 177.2045 46 N 4.5251 8.5095 114.7567 53.1777 38.5943 175.2423 47 G 3.7569 7.6820 105.9335 47.2657 0.0000 174.8298 48 C 4.5005 8.2083 121.8186 57.3291 31.2766 172.5257 49 A 4.1122 8.3801 130.1590 54.8896 17.9532 178.1407 50 Y 4.0443 8.0720 116.6868 61.3373 39.0218 177.9184 51 C 4.2458 8.1871 115.5636 62.5126 28.5444 175.6456 52 V 3.8348 8.3406 120.3388 66.0766 31.0822 178.4404 53 N 4.4514 8.1080 113.0328 55.0304 38.6015 175.7805 *55 H 4.6197 8.2207 117.5748 55.2823 31.1606 175.6011 56 A 3.9611 8.3740 121.6479 55.3016 18.1135 179.2081 57 N 4.2116 8.0639 114.9235 56.8136 38.6120 177.4571 58 D 4.2760 7.9744 119.3754 57.0499 40.9084 178.5423 59 A 3.9570 7.9631 121.4004 54.9999 18.4253 179.6658 60 R 3.7576 8.2062 117.4187 59.5481 30.0196 178.2960 61 K 3.8186 7.9633 117.9364 59.6971 32.1446 177.5055 62 A 4.3588 7.7425 117.4087 51.9744 18.4464 177.4250 63 G 3.7373 8.3913 106.0575 46.2744 0.0000 174.1515 64 E 4.1449 8.0409 119.5807 55.6455 30.5513 176.9797 65 T 4.1933 8.3611 120.5709 62.8770 70.4403 175.9220 66 E 3.9189 8.6754 124.7356 59.7022 29.6103 179.3074 67 Q 3.7529 7.9694 118.8417 59.4908 28.9199 178.8775 68 R 3.7574 7.5991 118.2010 58.9812 29.9862 178.7508 69 L 4.0927 7.8100 118.2441 57.8750 41.7242 179.2597 70 Q 4.1886 8.3449 116.5283 58.6705 29.0909 177.5152 71 A 4.4506 8.1876 121.7213 53.2848 18.6634 178.7213 72 L 3.9795 8.0462 119.2992 58.7077 42.1825 178.7245 73 C 4.5950 8.2646 111.6884 60.1309 29.9043 173.7540 74 V 4.5181 8.0887 116.1991 60.5994 32.5398 177.8793 75 W 4.4113 8.2302 119.1062 59.4795 28.5504 177.9591 76 Q 3.2202 6.8520 117.2192 58.0827 28.1931 177.5377 77 E 4.7029 7.4207 116.5638 55.9663 29.9264 175.7851 78 T 4.5854 7.6202 107.0109 59.4979 72.0667 171.4378 79 P 4.7208 0.0000 0.0000 63.2403 31.5875 176.1277 80 Y 4.4626 7.6169 116.3389 59.2123 38.4277 175.4659 81 F 5.1525 7.8513 118.2463 55.3407 41.9334 175.8580 82 T 4.2674 8.8710 115.0997 60.8951 70.8483 174.0530 83 P 4.2750 0.0000 0.0000 65.6525 31.2805 179.1105 84 R 3.5889 7.8000 117.0651 59.4179 30.1002 178.0522 85 E 4.0110 8.1616 118.3770 59.6101 29.4584 179.7000 86 R 3.4306 8.3966 118.0615 59.1576 29.9576 179.0358 87 A 4.0619 8.0880 120.2834 55.0316 18.2278 179.5931 88 A 3.9669 8.0346 119.0253 55.2296 18.4031 179.9126 89 L 3.6218 7.8466 117.5683 57.5196 41.4473 179.4039 90 A 4.3554 8.0764 120.9345 54.9416 18.2172 179.5887 91 W 4.1434 8.1368 126.6666 60.9717 30.7801 177.9920 92 T 3.8505 8.2594 116.1172 67.0263 67.7369 176.1664 93 E 3.9948 8.3565 118.8229 59.6083 29.7320 179.2478 94 Q 4.0922 8.0064 117.9383 59.0478 28.6078 178.9205 95 L 3.7574 7.9752 119.9764 57.3003 41.3095 179.1801 96 A 3.9840 7.9464 120.4817 54.5901 18.4658 178.9188 97 R 4.4606 7.3107 114.9543 56.1476 30.4199 178.0659 98 L 3.9674 7.4816 124.5295 58.3100 41.6799 178.6446 99 S 4.2992 7.9772 110.7759 59.9175 63.0576 174.3197 100 Q 4.4306 9.5595 119.6465 55.1050 29.3039 176.0179 101 G 3.8586 6.5418 103.8575 44.5753 0.0000 172.3813 102 A 4.2260 7.9171 122.6540 51.6153 19.1450 177.0599 103 L 4.5700 7.9801 120.2115 53.2852 42.4203 175.0390 104 P 4.3177 0.0000 0.0000 63.0052 31.8815 177.3884 105 H 4.3662 8.5510 117.8771 58.4411 29.0176 177.4080 106 G 3.8360 8.1672 105.7712 46.3213 0.0000 174.9851 107 L 4.1184 7.8669 123.1118 58.1269 42.1875 178.4974 108 L 3.7501 8.0439 119.9101 58.0522 41.9013 178.3358 109 D 4.3721 8.1146 117.7162 57.2846 41.0250 178.3001 110 E 4.1623 8.1295 119.2352 59.4266 29.5329 179.4488 111 L 4.2094 7.9005 119.5255 58.4893 39.7838 178.9472 112 R 3.9782 8.1359 120.0063 59.4805 29.6575 177.9505 113 E 4.0314 8.0240 116.9792 58.3589 29.4862 177.1196 114 H 4.5507 7.4340 115.0459 55.4958 31.0105 174.3563 115 F 5.0366 8.2509 116.7169 54.9647 42.1340 175.1106 116 D 4.7429 9.0307 124.2275 52.7326 41.8541 177.3626 117 D 4.3537 8.4960 118.8146 57.3507 40.7131 178.9609 118 K 4.0071 8.0824 119.7716 59.3900 32.1611 178.6767 119 E 4.0021 8.5319 119.1073 59.2013 29.3263 179.1472 120 I 3.3644 7.6942 119.6265 64.2625 37.2234 178.0946 121 A 4.0095 7.9204 121.3286 55.4511 18.1773 179.5886 122 E 3.9324 8.2170 116.8707 59.4108 29.4527 179.1505 123 L 3.9167 8.4871 121.1949 58.7182 42.0200 179.3228 124 T 4.0902 8.3362 115.8338 66.2896 68.3099 176.6178 125 L 3.9447 8.1428 122.2164 58.0056 42.1204 178.5877 126 A 4.2298 8.1571 120.7848 55.4841 18.2484 179.5974 127 V 3.4654 8.0835 116.6647 66.4703 31.4974 178.4780 128 S 4.0429 8.2637 114.5055 61.2954 62.5727 176.5293 129 A 3.9048 8.3491 123.8686 55.3315 18.2529 179.5942 130 I 3.5013 7.5275 117.1069 64.1050 37.9848 177.6183 131 N 4.2456 8.3903 117.5763 56.2278 38.3033 177.1832 132 A 3.8697 8.1933 122.2680 55.0526 18.5749 179.5570 133 W 4.5118 8.7272 117.8720 60.2750 29.0543 178.4692 134 N 4.5178 9.0427 116.5766 56.5392 38.0038 177.6937 135 R 3.8281 7.9091 118.9307 59.0954 29.8557 179.2016 136 F 3.7954 7.7826 116.4656 60.1970 38.9134 177.4532 137 G 4.0511 8.5566 104.4855 48.1309 0.0000 175.5657 138 V 3.9515 7.9773 120.2464 65.2509 31.6833 177.9894 139 G 3.5007 7.6819 103.1425 46.5651 0.0000 172.8832 *141 G 3.5548 7.8904 107.6648 45.1051 0.0000 173.0467 *143 Q 4.2283 8.4079 123.0952 54.9035 30.0724 173.5119 144 P 4.6716 0.0000 0.0000 63.2797 31.5145 176.2390 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 3 T 8.17 4.30 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 1.20 0.00 0.00 4 R 8.25 4.14 0.00 1.94 1.97 0.00 3.31 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 5 L 8.01 4.13 0.00 1.62 1.60 1.04 1.00 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 6 E 8.42 4.28 0.00 2.01 1.74 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 2.32 2.25 0.00 7 W 8.41 4.35 0.00 3.79 3.47 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 8 A 6.45 3.41 -0.01 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 9 K 7.55 3.97 0.00 1.78 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.31 7.81 10 A 7.88 4.37 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 11 S 8.50 4.57 0.00 3.89 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 12 P 0.00 4.43 0.00 2.23 2.14 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 13 D 8.17 4.38 0.00 2.74 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 14 A 7.55 4.07 1.60 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 15 Y 7.85 4.48 0.00 2.57 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 16 A 8.25 4.01 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 17 A 8.06 3.77 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 *19 L 7.97 4.40 0.00 1.57 1.69 0.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.96 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 21 L 7.58 4.07 0.00 1.97 1.84 0.82 0.85 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 22 E 8.29 4.20 0.00 2.32 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 2.95 2.57 0.00 23 K 8.10 4.02 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.65 7.81 24 A 7.81 4.01 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 25 L 7.83 4.17 0.00 1.86 1.87 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.28 4.10 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 27 K 7.73 4.34 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.61 7.81 28 A 6.96 4.83 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 29 G 8.86 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 0.00 0.00 0.00 30 L 7.69 4.22 0.00 1.83 1.61 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.99 3.89 0.00 2.13 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 2.44 2.50 0.00 32 R 8.73 3.87 0.00 1.90 1.91 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 33 P 0.00 4.23 0.00 2.22 2.10 0.00 3.61 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 2.12 2.14 0.00 34 L 7.85 3.98 0.00 1.82 1.91 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.64 3.75 1.94 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 1.57 0.51 0.66 0.00 0.00 36 E 8.40 3.90 0.00 2.18 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 2.47 0.00 37 L 7.79 4.04 0.00 1.80 1.66 1.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.03 3.58 2.39 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 1.10 0.00 0.00 1.00 0.00 0.00 39 Y 8.48 3.90 0.00 3.02 2.74 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 40 L 8.24 3.98 0.00 1.90 1.72 0.97 1.11 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 41 R 7.99 4.20 0.00 1.99 1.94 0.00 3.55 0.00 0.00 3.56 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 42 T 7.92 3.87 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 1.15 0.00 0.00 43 S 8.19 4.33 0.00 4.07 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 44 Q 8.14 4.00 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 45 I 7.70 3.80 2.00 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 1.33 0.65 0.91 0.00 0.00 46 N 8.51 4.53 0.00 2.79 2.86 0.00 0.00 7.09 7.23 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 47 G 7.68 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 0.00 0.00 0.00 48 C 8.21 4.50 0.00 3.06 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 49 A 8.38 4.11 1.39 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 0.00 0.00 50 Y 8.07 4.04 0.00 3.04 3.15 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 51 C 8.19 4.25 0.00 3.24 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 52 V 8.34 3.83 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 1.11 0.00 0.00 0.96 0.00 0.00 53 N 8.11 4.45 0.00 2.88 2.79 0.00 0.00 7.28 8.59 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 *55 H 8.22 4.62 0.00 3.41 3.43 0.00 5.68 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 56 A 8.37 3.96 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 N 8.06 4.21 0.00 2.73 2.84 0.00 0.00 7.13 7.77 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 58 D 7.97 4.28 0.00 2.62 2.65 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 59 A 7.96 3.96 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 60 R 8.21 3.76 0.00 1.95 2.08 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 61 K 7.96 3.82 0.00 1.97 1.94 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 A 7.74 4.36 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 63 G 8.39 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 64 E 8.04 4.14 0.00 1.97 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 2.36 2.33 0.00 65 T 8.36 4.19 4.15 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 1.09 0.00 0.00 66 E 8.68 3.92 0.00 1.92 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 2.37 2.30 0.00 67 Q 7.97 3.75 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 1.23 1.39 0.00 68 R 7.60 3.76 0.00 1.84 1.92 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.25 0.00 69 L 7.81 4.09 0.00 1.81 1.77 0.93 0.77 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 70 Q 8.34 4.19 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 71 A 8.19 4.45 1.77 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 0.00 0.00 72 L 8.05 3.98 0.00 2.02 1.87 0.59 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.26 4.60 0.00 3.23 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 74 V 8.09 4.52 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 0.81 0.00 0.00 1.06 0.00 0.00 75 W 8.23 4.41 0.00 3.08 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 76 Q 6.85 3.22 0.00 1.50 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.57 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 77 E 7.42 4.70 0.00 1.85 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 2.12 2.28 0.00 78 T 7.62 4.59 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 1.44 0.00 0.00 79 P 0.00 4.72 0.00 2.06 2.03 0.00 2.69 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.71 0.00 80 Y 7.62 4.46 0.00 2.26 2.44 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 81 F 7.85 5.15 0.00 3.16 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 82 T 8.87 4.27 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 1.24 0.00 0.00 83 P 0.00 4.27 0.00 2.21 2.20 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 84 R 7.80 3.59 0.00 1.72 1.82 0.00 2.83 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.00 85 E 8.16 4.01 0.00 2.42 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 2.42 2.43 0.00 86 R 8.40 3.43 0.00 2.06 2.19 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 87 A 8.09 4.06 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 88 A 8.03 3.97 1.41 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 89 L 7.85 3.62 0.00 0.27 0.13 -0.42 0.76 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 90 A 8.08 4.36 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 91 W 8.14 4.14 0.00 3.44 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 92 T 8.26 3.85 4.40 0.00 0.00 0.00 0.00 0.00 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 93 E 8.36 3.99 0.00 2.07 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 0.00 2.53 2.94 0.00 94 Q 8.01 4.09 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 95 L 7.98 3.76 0.00 1.41 1.43 -0.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.95 3.98 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 97 R 7.31 4.46 0.00 1.77 1.89 0.00 3.14 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 98 L 7.48 3.97 0.00 1.81 1.60 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.98 4.30 0.00 3.98 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 0.00 100 Q 9.56 4.43 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 101 G 6.54 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 0.00 102 A 7.92 4.23 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 0.00 103 L 7.98 4.57 0.00 1.71 1.59 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.32 0.00 2.23 2.00 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 105 H 8.55 4.37 0.00 3.24 3.49 0.00 5.73 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 0.00 106 G 8.17 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 0.00 0.00 0.00 107 L 7.87 4.12 0.00 1.98 2.01 1.12 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.04 3.75 0.00 1.94 1.72 0.71 1.31 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 0.00 109 D 8.11 4.37 0.00 2.90 2.74 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 0.00 110 E 8.13 4.16 0.00 2.32 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 0.00 2.39 2.56 0.00 111 L 7.90 4.21 0.00 2.02 1.94 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.14 3.98 0.00 2.19 2.04 0.00 3.34 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 113 E 8.02 4.03 0.00 2.14 1.80 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 2.29 2.31 0.00 114 H 7.43 4.55 0.00 3.13 2.78 0.00 5.59 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.25 5.04 0.00 2.82 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 0.00 116 D 9.03 4.74 0.00 2.95 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 0.00 117 D 8.50 4.35 0.00 2.78 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 0.00 118 K 8.08 4.01 0.00 1.83 1.94 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.54 7.81 119 E 8.53 4.00 0.00 2.41 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 0.00 2.46 2.50 0.00 120 I 7.69 3.36 1.88 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 1.54 0.78 0.59 0.00 0.00 121 A 7.92 4.01 1.39 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 0.00 0.00 122 E 8.22 3.93 0.00 2.15 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 2.34 2.71 0.00 123 L 8.49 3.92 0.00 1.43 1.66 0.88 -0.24 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 0.00 124 T 8.34 4.09 4.49 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 1.34 0.00 0.00 125 L 8.14 3.94 0.00 1.81 1.89 0.96 1.04 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 0.00 126 A 8.16 4.23 1.58 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 0.00 127 V 8.08 3.47 2.23 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 0.99 0.00 0.00 1.03 0.00 0.00 128 S 8.26 4.04 0.00 4.03 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 0.00 129 A 8.35 3.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.53 3.50 0.56 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 1.34 1.03 0.64 0.00 0.00 131 N 8.39 4.25 0.00 2.92 2.79 0.00 0.00 6.87 8.41 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 0.00 132 A 8.19 3.87 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 0.00 133 W 8.73 4.51 0.00 3.53 3.36 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 0.00 134 N 9.04 4.52 0.00 2.92 2.91 0.00 0.00 7.05 7.81 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 0.00 135 R 7.91 3.83 0.00 1.82 1.70 0.00 3.15 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 136 F 7.78 3.80 0.00 2.97 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.56 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 0.00 0.00 0.00 138 V 7.98 3.95 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 0.85 0.00 0.00 1.04 0.00 0.00 139 G 7.68 3.50 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 0.00 *141 G 7.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 4.23 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 144 P 0.00 4.67 0.00 2.20 2.21 0.00 3.87 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 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.