NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.1701 8.3449 118.8092 55.1731 30.6283 174.6276 7 F 4.6616 7.8922 117.5314 54.8048 41.8223 169.1216 8 V 4.1061 9.3339 126.6267 61.9808 32.8191 174.1750 9 C 4.8311 8.4625 124.7716 58.0273 30.3810 173.2128 10 E 4.4987 8.3756 121.2441 54.2779 34.0149 174.2029 11 L 4.4862 8.4093 124.3845 54.4721 43.2459 176.0309 12 K 4.6158 9.0480 125.2085 54.6813 36.5953 175.3583 13 E 4.7167 8.7310 123.6385 54.8486 30.2902 175.4777 14 L 4.2967 8.9097 126.4179 54.2063 43.0687 176.0804 15 A 4.8038 8.4531 125.8434 49.8720 20.3523 174.7871 16 P 4.5185 0.0000 0.0000 62.5473 32.7679 175.8500 17 V 4.6328 8.3901 114.3687 58.6025 36.4534 173.2524 18 P 4.9073 0.0000 0.0000 63.4428 32.4767 175.4018 19 A 5.1968 9.0881 122.9301 50.8536 23.6347 174.8550 20 L 5.0847 8.8681 119.6375 53.1577 44.2692 176.0475 21 L 5.1866 9.2709 122.6965 53.0981 47.1858 175.2416 22 I 4.6046 7.9492 119.9261 59.5825 40.4139 175.0043 23 R 4.9738 8.5795 125.9917 54.8775 32.3675 174.8899 24 T 4.6475 8.8531 118.2098 61.2721 71.5814 171.6305 25 Q 5.0354 8.4858 120.0804 54.5516 31.7883 175.0643 26 T 4.5575 8.4541 116.8875 60.1465 72.1367 174.9020 27 T 4.9147 8.1760 113.5232 61.9562 70.4444 178.6809 *29 S 4.4242 9.0520 114.6797 57.6060 64.7079 174.4019 30 E 4.3652 7.8561 119.3979 56.5124 29.8984 177.4987 31 L 3.6517 7.8937 121.0411 58.0370 41.9872 178.7901 32 G 3.6821 7.9768 104.7283 48.2776 0.0000 175.7008 33 S 4.2115 7.9503 117.6615 60.5908 62.7457 176.5122 34 L 3.8740 7.7356 123.2684 58.1725 41.7921 179.0464 35 F 4.0351 7.8559 117.7204 60.3700 38.6124 177.0253 36 E 4.0320 8.3577 118.7396 59.5898 29.3905 178.9222 37 A 4.2625 8.1652 120.6738 55.0335 18.5075 179.9041 38 G 3.7036 8.6561 104.6779 48.3805 0.0000 175.6724 39 Y 4.5093 8.5227 119.7324 60.9477 37.8017 178.1888 40 H 4.2452 8.2506 118.0735 59.1686 29.9200 176.4766 41 D 4.3802 8.4369 120.0114 57.7238 41.0443 178.3125 42 I 3.7227 7.9249 119.8342 64.5901 37.1182 178.4640 43 L 3.8681 8.1403 119.7968 57.7765 41.3852 179.6474 44 Q 3.9227 8.4780 118.0973 58.9444 28.0506 178.2453 45 L 3.9261 8.1972 122.6403 57.9063 42.0983 179.0112 46 L 3.9630 7.9814 118.6549 57.7405 41.5083 179.1932 47 A 4.0666 8.2956 121.1895 55.2954 18.0839 179.9449 48 G 3.6007 8.3154 103.2375 47.3142 0.0000 174.8375 49 Q 4.5269 7.3827 116.7948 54.8582 28.9695 175.8927 50 G 3.8645 8.1587 107.9277 46.3434 0.0000 173.4909 51 K 4.6927 8.2508 118.7859 54.1955 35.5348 174.9909 52 S 4.5675 7.9770 112.8447 56.1505 65.8372 171.8967 53 P 4.4301 0.0000 0.0000 62.9469 31.1397 176.5764 54 S 4.7493 8.9330 113.5230 58.2310 64.3163 173.2816 55 G 4.2583 7.7500 106.4408 44.7556 0.0000 171.2274 56 P 4.9093 0.0000 0.0000 61.7148 32.2052 174.7538 57 P 4.3708 0.0000 0.0000 63.2110 32.7448 174.7570 58 F 5.3733 8.3857 115.1269 56.0152 42.1633 172.6429 59 A 5.1858 9.2869 119.6122 50.6591 22.9847 175.2612 60 R 5.1326 9.3786 120.6222 54.6462 33.0447 174.6829 61 Y 5.4895 9.3736 121.4984 56.3359 41.5201 174.8436 62 F 4.9598 9.9207 125.7087 59.6889 42.8726 172.1695 63 G 4.2004 10.1071 115.7727 45.4852 0.0000 174.3980 *65 S 3.9969 9.1775 118.3129 57.8217 65.5991 175.9927 66 A 4.2469 8.1662 122.8223 54.0202 19.2773 177.7360 67 G 4.2682 7.7445 104.0749 46.7221 0.0000 174.0392 68 T 4.7850 8.7264 123.1315 62.1062 69.5732 174.0162 69 F 5.1726 8.3453 121.5784 54.5880 41.9392 173.9791 70 E 4.8079 9.5286 122.2356 56.2941 31.0522 175.9707 71 V 5.1552 9.0372 125.6864 60.3585 35.2117 173.7546 72 E 5.4153 9.4520 124.8078 54.4505 32.7200 174.9487 73 F 4.8711 9.3134 119.0598 54.7800 42.0933 175.1133 74 G 4.3617 6.1620 104.2669 45.8445 0.0000 171.1995 75 F 5.4270 7.8816 117.8858 55.0689 43.2763 173.2244 76 P 5.1569 0.0000 0.0000 62.9197 32.2980 175.6588 77 V 5.0688 9.1268 115.0509 58.2788 35.9012 176.7001 78 E 3.9374 8.9301 119.9814 57.8868 29.5467 177.5740 79 G 3.8271 7.5341 106.2349 45.9533 0.0000 174.4147 80 G 3.8181 8.5739 105.9102 45.2274 0.0000 173.8969 81 V 4.1371 6.9541 118.6935 61.6431 32.7547 174.7718 82 E 4.6639 8.4984 124.2691 54.3822 31.5257 176.5995 83 G 3.9260 8.3287 111.3308 45.3015 0.0000 172.6595 84 S 4.4894 8.9930 110.2579 58.4073 66.7495 174.9670 85 G 3.7711 8.3613 115.9257 47.1764 0.0000 176.7254 86 R 4.0078 8.7407 125.3636 57.4103 30.4405 175.7015 87 V 4.1649 7.7144 119.3430 62.6700 32.6822 175.3403 88 V 4.9297 8.9219 121.0010 59.4959 35.6484 174.9856 89 T 4.5611 8.4338 112.5720 61.9871 70.0944 175.0097 90 G 4.1403 8.2713 108.4694 46.4442 0.0000 171.9604 91 L 5.5483 8.5929 119.8875 52.9111 45.7136 176.7367 92 T 4.1294 8.4363 112.1432 60.1793 69.9133 172.5282 93 P 4.3437 0.0000 0.0000 63.1790 31.6532 175.5137 94 S 5.0326 7.9188 114.5418 56.2591 66.6184 172.8834 95 G 3.7184 8.6587 105.5250 44.0877 0.0000 172.4939 96 K 4.8578 8.1404 117.0415 56.0605 33.2743 176.6128 97 A 4.6666 8.5172 122.8342 50.8882 23.3696 174.9775 98 A 4.4269 8.5484 122.3545 50.5273 20.5892 176.4773 99 S 4.9783 8.8730 117.5183 56.7008 66.1779 172.7223 100 S 4.8394 8.8711 118.8204 56.7277 66.3999 172.2329 101 L 4.7235 8.4445 126.7897 53.7781 43.1873 174.6210 102 Y 4.8754 9.0299 128.7858 56.2022 40.8068 174.1558 103 I 4.6249 8.6115 126.4167 58.7760 40.1487 175.4076 104 G 4.0283 8.3343 113.6351 41.9481 0.0000 170.9689 105 P 4.4251 0.0000 0.0000 62.8572 31.7755 176.6748 106 Y 4.2965 9.1687 122.8015 60.7970 38.8949 178.4685 107 G 3.6989 8.3324 107.4129 48.1886 0.0000 173.5701 108 E 4.4441 8.0887 117.7440 56.2910 29.8504 177.7140 109 I 2.4831 7.2788 121.1530 62.8981 37.7285 177.2363 110 E 3.9310 8.0480 119.5444 59.2663 29.3145 178.2780 111 A 4.0339 7.6063 121.3993 55.2105 18.4260 179.9963 112 V 2.3854 7.0224 116.9571 64.3865 31.1470 178.3000 113 Y 3.7362 7.3723 116.4351 60.8548 37.8437 177.2933 114 D 4.4665 8.0424 117.8392 57.1485 41.5558 177.8883 115 A 4.2849 7.7142 120.9326 54.9441 18.3250 180.5145 116 L 4.2423 7.9529 115.7136 55.1794 41.5258 179.2321 *118 K 4.2251 8.0258 122.1087 56.2939 34.0856 177.5214 119 W 4.0657 8.5601 128.1785 60.4240 30.6231 178.0486 120 V 3.7977 8.4434 118.3513 66.2118 30.5531 177.7071 121 D 4.3667 8.0962 118.0199 57.5978 40.6093 178.2486 122 D 4.4516 7.8967 117.0111 55.8843 40.7596 177.3738 123 N 4.6287 7.0653 115.7754 51.7965 39.0853 174.5450 124 G 3.7500 7.3489 106.5619 46.5917 0.0000 174.0030 125 F 5.0036 7.6869 116.2873 55.4190 41.9105 174.6851 126 D 5.1240 8.6703 119.4769 52.3818 43.9549 175.0491 127 L 4.6075 8.6588 125.8510 54.7502 41.9065 177.5464 128 S 3.8613 8.7028 117.4953 59.3666 63.6001 175.1267 129 G 4.1563 8.3565 108.5639 44.8080 0.0000 172.8343 130 E 4.1756 6.9210 119.9198 54.7062 30.8312 175.1706 131 A 5.0956 8.9780 127.9734 50.3236 22.4612 174.6069 132 Y 5.3621 9.3959 122.3420 56.0029 41.8779 173.9709 133 E 4.8813 9.4007 126.5184 54.4431 33.0477 175.0140 134 I 4.2776 8.1742 125.0461 59.7993 39.6132 174.6440 135 Y 4.7452 8.2472 126.6550 56.6687 36.4521 175.4659 136 L 4.2025 8.5184 124.3994 56.8639 42.4836 176.9818 137 D 5.0632 7.7054 115.6670 52.3196 44.0928 175.7152 138 N 4.6696 8.4822 120.0702 51.3688 39.7645 174.1725 139 P 4.3512 0.0000 0.0000 64.9940 31.5104 177.3117 140 A 4.1613 8.2359 122.4046 54.2644 18.3930 177.9012 141 E 4.7631 8.1532 112.0160 55.8065 30.0957 175.5720 142 T 4.5605 7.7549 107.8498 59.9761 71.7512 173.3658 143 A 4.1274 8.5886 128.2070 51.4901 19.4908 176.0778 144 P 4.2290 0.0000 0.0000 65.9934 31.4825 178.4608 145 D 4.4051 8.1596 115.3534 56.5912 40.7548 177.1959 146 Q 4.4279 8.2213 116.0486 55.0924 29.8097 175.0407 147 L 4.1643 8.0058 122.6085 55.1426 43.2443 175.7607 148 R 5.0284 9.3040 126.6052 55.3387 32.4435 175.9508 149 T 4.6889 9.1258 119.6458 61.9455 72.9415 172.9789 150 R 4.5120 8.8289 128.3315 55.6622 31.2332 174.9992 151 V 4.6082 8.4959 127.3721 61.2757 34.0690 174.7008 152 S 4.8958 8.8118 122.7654 57.2514 67.2011 173.1993 153 L 4.5796 8.5124 126.7209 53.8587 44.5543 175.3905 *155 L 4.4839 8.3746 120.6961 56.3467 42.9576 177.6659 156 H 4.9133 9.0818 119.2359 55.6770 31.1000 175.2040 157 E 4.9105 8.3709 116.1427 55.3483 30.4287 175.1168 158 S 4.1880 8.0104 117.7957 59.0204 62.2553 173.9421 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 6 Q 8.34 4.17 0.00 1.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.07 1.77 0.00 7 F 7.89 4.66 0.00 3.13 2.88 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 8 V 9.33 4.11 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 0.80 0.00 0.00 0.94 0.00 0.00 9 C 8.46 4.83 0.00 2.47 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 0.00 0.00 0.00 10 E 8.38 4.50 0.00 1.64 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 2.16 2.11 0.00 11 L 8.41 4.49 0.00 2.13 1.77 0.70 0.82 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 12 K 9.05 4.62 0.00 1.53 1.56 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.44 7.81 13 E 8.73 4.72 0.00 1.83 1.91 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 2.24 2.28 0.00 14 L 8.91 4.30 0.00 1.49 1.59 0.92 0.48 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 15 A 8.45 4.80 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 16 P 0.00 4.52 0.00 2.04 2.03 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 17 V 8.39 4.63 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 0.70 0.00 0.00 0.93 0.00 0.00 18 P 0.00 4.91 0.00 2.31 1.99 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 19 A 9.09 5.20 1.40 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 0.00 0.00 0.00 20 L 8.87 5.08 0.00 1.69 1.60 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 L 9.27 5.19 0.00 1.41 1.45 0.99 0.86 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 22 I 7.95 4.60 0.56 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 1.00 0.30 0.83 0.00 0.00 23 R 8.58 4.97 0.00 1.64 1.85 0.00 3.20 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 24 T 8.85 4.65 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 1.28 0.00 0.00 25 Q 8.49 5.04 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 26 T 8.45 4.56 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 0.57 0.00 0.00 27 T 8.18 4.91 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 1.13 0.00 0.00 *29 S 9.05 4.42 0.00 4.01 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 30 E 7.86 4.37 0.00 1.93 1.93 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 2.20 2.23 0.00 31 L 7.89 3.65 0.00 1.72 1.62 0.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.98 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 33 S 7.95 4.21 0.00 3.84 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 0.00 34 L 7.74 3.87 0.00 1.69 1.54 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.86 4.04 0.00 3.14 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 36 E 8.36 4.03 0.00 2.23 2.16 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 2.36 2.40 0.00 37 A 8.17 4.26 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 38 G 8.66 3.70 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 0.00 0.00 0.00 39 Y 8.52 4.51 0.00 3.27 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 40 H 8.25 4.25 0.00 3.43 3.58 0.00 5.61 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 41 D 8.44 4.38 0.00 2.96 2.91 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 0.00 42 I 7.92 3.72 2.32 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 1.13 0.00 0.00 43 L 8.14 3.87 0.00 1.82 1.61 0.98 0.04 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 44 Q 8.48 3.92 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 45 L 8.20 3.93 0.00 1.86 1.90 0.92 0.94 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 46 L 7.98 3.96 0.00 1.83 1.70 0.82 0.75 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 47 A 8.30 4.07 1.34 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 0.00 0.00 0.00 48 G 8.32 3.60 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 0.00 49 Q 7.38 4.53 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 50 G 8.16 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 51 K 8.25 4.69 0.00 1.63 1.70 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.36 7.81 52 S 7.98 4.57 0.00 3.82 3.72 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 53 P 0.00 4.43 0.00 1.92 1.92 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.46 0.00 54 S 8.93 4.75 0.00 3.88 4.07 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 55 G 7.75 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 56 P 0.00 4.91 0.00 2.13 2.12 0.00 3.85 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 2.04 1.99 0.00 57 P 0.00 4.37 0.00 1.31 0.93 0.00 3.86 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.77 0.00 58 F 8.39 5.37 0.00 3.37 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 59 A 9.29 5.19 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 60 R 9.38 5.13 0.00 1.80 2.07 0.00 3.03 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 61 Y 9.37 5.49 0.00 2.88 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 62 F 9.92 4.96 0.00 3.18 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 63 G 10.11 4.20 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 0.00 *65 S 9.18 4.00 0.00 3.77 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 66 A 8.17 4.25 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 67 G 7.74 4.27 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 0.00 68 T 8.73 4.78 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 1.11 0.00 0.00 69 F 8.35 5.17 0.00 3.37 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 70 E 9.53 4.81 0.00 2.33 2.25 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 2.47 2.47 0.00 71 V 9.04 5.16 2.38 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 0.79 0.00 0.00 0.99 0.00 0.00 72 E 9.45 5.42 0.00 2.02 1.93 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 2.30 2.34 0.00 73 F 9.31 4.87 0.00 2.92 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 74 G 6.16 4.36 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 0.00 75 F 7.88 5.43 0.00 2.95 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 76 P 0.00 5.16 0.00 2.21 2.06 0.00 3.95 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 77 V 9.13 5.07 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 1.03 0.00 0.00 1.05 0.00 0.00 78 E 8.93 3.94 0.00 2.08 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 0.00 2.28 2.31 0.00 79 G 7.53 3.83 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 0.00 0.00 0.00 80 G 8.57 3.82 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 0.00 0.00 0.00 81 V 6.95 4.14 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 0.84 0.00 0.00 0.97 0.00 0.00 82 E 8.50 4.66 0.00 2.01 1.82 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 2.24 2.22 0.00 83 G 8.33 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 84 S 8.99 4.49 0.00 3.82 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 85 G 8.36 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 86 R 8.74 4.01 0.00 1.77 1.93 0.00 3.23 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 87 V 7.71 4.16 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 0.85 0.00 0.00 0.95 0.00 0.00 88 V 8.92 4.93 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 0.67 0.00 0.00 0.97 0.00 0.00 89 T 8.43 4.56 4.25 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 1.25 0.00 0.00 90 G 8.27 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 91 L 8.59 5.55 0.00 1.46 1.49 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.44 4.13 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 1.04 0.00 0.00 93 P 0.00 4.34 0.00 1.61 1.58 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.44 0.00 94 S 7.92 5.03 0.00 3.79 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 95 G 8.66 3.72 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 0.00 0.00 0.00 96 K 8.14 4.86 0.00 1.57 1.53 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.56 7.81 97 A 8.52 4.67 1.13 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 98 A 8.55 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.87 4.98 0.00 3.66 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 0.00 100 S 8.87 4.84 0.00 3.66 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 0.00 101 L 8.44 4.72 0.00 1.65 1.55 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 9.03 4.88 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 0.00 103 I 8.61 4.62 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.81 0.00 0.00 104 G 8.33 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 0.00 105 P 0.00 4.43 0.00 2.33 2.28 0.00 3.78 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 2.21 2.03 0.00 106 Y 9.17 4.30 0.00 3.16 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 0.00 107 G 8.33 3.70 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 0.00 0.00 0.00 108 E 8.09 4.44 0.00 2.22 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 2.32 2.45 0.00 109 I 7.28 2.48 1.37 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 0.92 0.05 0.51 0.00 0.00 110 E 8.05 3.93 0.00 1.90 1.86 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 2.28 2.25 0.00 111 A 7.61 4.03 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 0.00 112 V 7.02 2.39 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 0.39 0.00 0.00 0.39 0.00 0.00 113 Y 7.37 3.74 0.00 3.02 2.95 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 0.00 114 D 8.04 4.47 0.00 2.88 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 0.00 115 A 7.71 4.28 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.95 4.24 0.00 1.75 1.63 0.56 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *118 K 8.03 4.23 0.00 1.95 2.15 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.48 7.81 119 W 8.56 4.07 0.00 3.57 3.41 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 0.00 120 V 8.44 3.80 2.25 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 1.18 0.00 0.00 1.31 0.00 0.00 121 D 8.10 4.37 0.00 2.87 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 0.00 122 D 7.90 4.45 0.00 2.46 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 0.00 123 N 7.07 4.63 0.00 1.76 2.35 0.00 0.00 6.91 9.00 0.00 0.00 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 G 7.35 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 0.00 0.00 0.00 125 F 7.69 5.00 0.00 3.03 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 0.00 126 D 8.67 5.12 0.00 2.86 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 0.00 127 L 8.66 4.61 0.00 1.64 1.62 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.70 3.86 0.00 3.84 3.81 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 0.00 129 G 8.36 4.16 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 0.00 0.00 0.00 130 E 6.92 4.18 0.00 1.16 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 2.09 2.19 0.00 131 A 8.98 5.10 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 0.00 132 Y 9.40 5.36 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 0.00 133 E 9.40 4.88 0.00 1.82 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 2.36 2.63 0.00 134 I 8.17 4.28 1.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.32 0.81 0.00 0.00 135 Y 8.25 4.75 0.00 2.73 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 0.00 136 L 8.52 4.20 0.00 1.53 1.73 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 137 D 7.71 5.06 0.00 2.65 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 0.00 138 N 8.48 4.67 0.00 2.69 2.67 0.00 0.00 6.78 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 0.00 139 P 0.00 4.35 0.00 2.19 2.16 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 140 A 8.24 4.16 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 0.00 141 E 8.15 4.76 0.00 2.07 1.98 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 2.18 2.19 0.00 142 T 7.75 4.56 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 0.00 143 A 8.59 4.13 1.32 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 0.00 0.00 144 P 0.00 4.23 0.00 2.20 2.18 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 145 D 8.16 4.41 0.00 2.65 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 0.00 146 Q 8.22 4.43 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 147 L 8.01 4.16 0.00 1.81 1.86 1.02 0.98 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 0.00 148 R 9.30 5.03 0.00 1.89 1.81 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 149 T 9.13 4.69 4.57 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 1.38 0.00 0.00 150 R 8.83 4.51 0.00 1.81 1.60 0.00 2.95 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.00 151 V 8.50 4.61 1.67 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 0.18 0.00 0.00 0.68 0.00 0.00 152 S 8.81 4.90 0.00 3.82 3.66 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 L 8.51 4.58 0.00 1.57 1.57 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *155 L 8.37 4.48 0.00 1.40 1.60 0.22 1.14 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 0.00 156 H 9.08 4.91 0.00 3.35 3.31 0.00 5.64 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 0.00 157 E 8.37 4.91 0.00 1.97 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 2.36 2.40 0.00 158 S 8.01 4.19 0.00 3.79 3.66 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 * Residues marked with a * may have inaccurate shift predictions.