NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4915 8.1844 120.6266 54.3074 43.0993 176.1400 1 V 3.7247 8.2700 123.5270 62.5953 32.1484 174.2206 2 K 4.5355 8.9060 123.7808 55.9224 36.8026 174.7988 3 K 4.7016 8.1413 121.5088 54.6528 34.1294 175.0142 4 V 4.9163 8.8120 128.0964 60.9524 34.7301 173.7342 5 L 5.1421 8.8717 129.8296 53.2190 44.3787 174.6913 6 L 4.9847 9.3099 129.6328 54.6581 43.6131 175.2482 7 I 5.2363 9.0994 127.1575 59.6413 40.5983 174.1409 8 N 5.4854 9.3159 124.0395 51.7294 41.4999 175.2351 9 G 4.2804 8.6596 114.0450 44.0677 0.0000 171.6182 10 P 4.4189 0.0000 0.0000 64.0780 31.9100 177.6087 11 N 4.4780 9.6897 116.2787 54.1306 38.1556 176.6969 12 L 4.0849 7.6897 118.2298 57.1774 41.8685 179.0632 13 N 4.3496 8.0686 115.2667 55.5181 37.5188 175.7335 14 L 4.2713 8.0030 117.6832 54.9457 42.2347 176.5941 15 L 4.4462 7.7792 120.9565 55.3402 41.0682 176.5357 16 G 4.2587 8.3234 110.3152 44.0938 0.0000 172.2157 17 T 4.2645 8.6221 115.2083 61.6278 69.9510 176.1872 18 R 4.1514 7.9168 121.4345 58.2954 31.1481 176.2524 *23 Y 4.5458 7.7553 115.0030 56.6410 40.1508 173.8948 24 G 4.0899 7.4677 106.4893 43.3538 0.0000 174.2276 25 T 3.8397 8.3856 106.6853 62.7942 68.3187 174.2240 26 T 4.1389 8.7147 121.1054 63.7399 67.6736 175.2775 27 S 5.2577 8.4446 123.8634 56.2245 66.0786 174.9976 28 L 3.8510 8.1369 122.2732 58.3418 41.8812 178.1710 29 S 4.2142 8.1349 112.6280 61.8704 62.1265 175.7679 30 D 4.3581 8.0570 121.1700 57.4721 40.6208 179.0395 31 I 3.6082 7.2079 119.0168 64.3668 37.0653 178.2496 32 E 3.8999 8.0653 119.3839 59.5588 29.2286 179.5515 33 Q 3.9488 8.0760 117.7852 58.8841 28.7124 178.6701 34 A 3.9835 7.9651 121.5519 54.9723 18.4380 179.6373 35 A 3.9293 7.9337 119.2127 55.3117 18.0316 179.8050 36 I 3.6737 7.8503 118.4782 64.7075 37.0907 178.5907 37 E 3.9877 8.3941 119.3641 59.2069 28.7986 178.7870 38 Q 3.9382 8.2924 119.6325 59.5426 28.5549 178.8334 39 A 4.0664 7.8991 120.8769 54.7637 18.2501 179.9319 40 K 3.7648 7.6765 116.5840 59.7182 32.0873 179.1668 41 L 3.6006 8.4252 119.6572 58.2730 40.5330 178.7446 42 K 4.0744 7.7889 116.9416 56.5659 32.4333 176.0627 43 N 4.3386 8.7819 118.4019 53.8922 37.7312 174.0169 44 N 4.8532 7.5980 107.8497 52.3166 38.4898 174.2588 45 D 4.3224 8.2036 113.5589 56.7282 37.9661 173.1675 46 S 4.9935 7.5140 113.7481 57.4360 66.0400 175.2262 47 E 4.6722 9.0712 121.7482 55.0144 33.3884 173.7867 48 V 4.7818 8.4688 126.4701 61.3107 33.3961 174.5976 49 L 4.7362 8.9893 128.6422 53.6770 43.7624 176.0971 50 V 5.0346 8.2876 114.5038 59.8210 34.7638 174.8541 51 F 4.9336 9.1238 125.2489 57.0142 43.2261 172.7734 52 Q 5.3710 7.3072 124.3297 53.9362 32.1006 173.5591 53 S 4.5982 8.3406 117.7392 57.6613 65.0572 173.6796 54 N 4.5504 8.8567 120.7115 54.5674 39.4065 176.0748 55 T 4.2577 7.6556 116.2858 62.0703 69.7347 174.2468 56 E 3.8782 8.9569 127.2585 59.6645 29.5250 179.0844 57 G 3.6569 7.9087 104.7747 47.9710 0.0000 175.3471 58 F 4.5183 8.1433 119.5201 60.4743 39.0203 177.6568 59 I 3.8607 8.0733 119.5896 64.4123 36.9225 178.3036 60 I 3.5661 8.0272 120.6764 64.5545 36.9758 177.9386 61 D 4.2809 8.6436 119.9340 57.7632 40.7057 179.6837 62 R 3.6110 7.9290 118.9674 59.2453 29.6930 178.6001 63 I 3.6927 7.4787 118.9728 64.3017 37.4620 177.7905 64 H 4.3545 8.1984 117.2697 58.9376 28.5896 177.3874 65 E 3.8987 8.1718 120.8411 59.0717 29.4643 178.3987 66 A 3.9638 8.0703 120.9833 55.3755 18.2887 179.6203 67 K 3.9533 7.9895 117.3663 59.5962 32.0102 179.2536 68 R 3.9589 7.9325 117.2138 59.2272 30.1534 177.7188 69 Q 4.0402 7.9096 115.4321 56.9570 28.9542 177.0969 70 G 3.8699 7.8533 105.6445 45.2502 0.0000 173.5675 71 V 3.6350 7.5752 119.7704 63.0909 31.5294 176.0818 72 G 4.1363 8.8029 114.2682 46.5639 0.0000 172.9915 73 F 4.8186 7.7220 120.7600 57.2071 43.0401 172.5391 74 V 4.9629 8.2359 123.8185 61.1160 34.9677 174.1591 75 V 4.9674 8.7183 127.3957 61.2620 33.8093 174.0352 76 I 5.1177 8.9096 127.9955 59.3091 41.3855 173.2124 77 N 5.2237 9.3370 128.2531 51.1796 40.3039 174.6533 78 A 4.3634 8.8576 129.0922 51.7372 20.3820 178.2657 79 G 3.6859 8.4229 106.4764 45.7882 0.0000 176.1094 80 A 4.0237 8.5775 121.7970 55.6097 18.0297 178.9607 81 Y 4.5179 7.5724 114.1332 61.2782 37.8037 178.9043 82 T 3.9443 8.1672 117.0829 66.4487 68.3030 175.1221 83 H 5.0019 8.4332 116.1518 56.2929 29.4272 175.6319 84 T 4.6912 7.9015 107.6555 60.6604 69.8718 173.8019 85 S 4.4357 8.3936 118.1788 56.8962 61.6895 174.1738 86 V 3.4606 7.6894 128.0327 64.9341 31.3765 177.7585 87 G 3.5079 7.7412 105.4215 47.6105 0.0000 175.6259 88 I 3.6531 7.8333 122.2728 63.9736 37.0087 178.3612 89 R 3.7925 7.4307 118.3887 59.7549 29.9098 178.4589 90 D 4.4446 8.2008 118.0168 56.8278 40.7103 178.7112 91 A 3.9725 7.8874 121.8138 55.0262 18.2594 179.6822 92 L 3.8381 7.8547 117.4655 57.9002 41.8091 179.7683 93 L 4.1534 8.3952 119.5011 57.8104 41.3566 179.7702 94 G 3.6811 8.5618 105.2888 47.4082 0.0000 174.8314 95 T 4.2628 7.8306 108.8001 60.2418 69.9337 174.2140 96 A 3.7190 7.5575 123.3367 53.4118 16.6589 177.2654 97 I 4.3557 7.3259 121.3096 59.7486 38.9533 174.8958 98 P 4.4365 0.0000 0.0000 62.9962 32.5076 175.1099 99 F 5.5533 7.3271 114.2145 55.6218 41.7836 172.6450 100 I 4.7756 8.5215 120.2221 59.5391 39.7650 174.1348 101 E 4.9089 9.0487 128.4374 55.4699 30.6850 174.9790 102 V 4.6392 8.6492 126.6475 61.2941 34.7048 173.7151 103 H 5.0808 8.7183 124.1636 54.0552 31.3906 174.1526 104 I 3.9546 8.7629 125.0993 64.2698 37.7739 176.2562 105 T 4.7124 7.7296 108.6927 59.4143 71.1665 173.9202 106 N 4.5598 8.3493 120.9283 52.4653 37.9967 175.6288 107 V 3.5197 8.1365 126.5071 64.6724 31.5652 178.2130 108 H 4.0821 7.9008 115.9336 57.6855 28.5302 175.6739 109 Q 4.3871 7.9339 117.3780 55.9851 29.4439 175.6443 110 R 4.8386 7.3704 118.2381 54.4987 32.5846 175.2455 111 E 3.8893 8.1974 118.0732 56.6613 30.2063 176.0192 112 P 3.6815 0.0000 0.0000 65.8047 30.9143 178.8749 113 F 4.3227 7.7021 112.4701 59.4027 37.6607 176.7223 114 R 3.8101 6.9267 116.7213 57.2319 30.0785 177.5676 115 H 4.4147 7.6176 116.4181 57.2700 29.2077 175.8103 116 Q 4.2368 7.1132 118.4425 55.4954 29.3022 175.4156 117 S 4.8580 8.0780 114.9658 57.1358 65.4795 173.1684 118 Y 4.5630 9.3369 123.9512 58.4553 38.2412 176.0389 119 L 4.7181 7.8679 120.7850 56.2364 43.8534 178.5472 120 S 4.3261 8.9391 115.0811 60.8928 62.8185 176.1738 121 D 4.5833 8.0994 116.3286 54.5057 39.7070 176.7373 122 K 4.3341 8.0828 117.9951 56.0798 32.6867 176.3327 123 A 2.9116 7.3141 122.3049 51.1272 19.1946 178.2806 124 V 3.7477 8.2797 120.5155 65.5999 31.9780 176.0704 125 A 4.6631 7.5734 119.6968 50.1975 23.2527 174.8121 126 V 4.6434 8.2438 118.4067 61.3544 33.9080 174.7441 127 I 4.5537 8.5720 130.2141 59.7901 38.8788 174.8307 128 C 5.0506 8.6549 121.2822 57.9814 32.4198 174.2272 129 G 3.9394 9.2497 110.5842 45.6047 0.0000 173.4877 130 L 4.3916 7.8168 118.7678 54.0512 42.9133 178.0883 131 G 3.9216 7.9273 106.4066 46.0098 0.0000 174.4501 132 V 3.9101 8.4665 116.4410 66.2326 31.4944 178.2427 133 Y 4.4118 8.5030 119.1769 60.6379 38.4070 178.2331 134 G 3.7071 8.0957 106.7552 48.2215 0.0000 174.9495 135 Y 4.1743 7.8332 119.3616 60.9994 37.8747 179.0391 136 T 4.0617 8.0690 116.9711 66.1624 68.6641 176.2681 137 A 3.7652 7.4730 122.3768 55.1211 18.2895 179.5619 138 A 3.9949 7.7621 118.9525 55.2218 18.3758 179.9521 139 I 3.7768 7.9110 118.5487 64.2275 36.9228 178.5058 140 E 3.9054 8.1096 119.0003 59.5325 29.7248 178.2596 141 Y 4.0210 8.0518 119.3223 60.4982 38.7954 178.0532 142 A 2.7771 7.7281 121.4787 54.8572 18.3289 179.4467 143 L 4.0904 7.7738 114.7804 56.4459 41.7307 178.1663 144 N 4.6756 7.3119 115.0767 52.1597 39.5347 174.1057 145 Y 4.1415 7.1626 122.7800 56.7661 39.9840 175.4057 146 Q 4.0738 7.3096 122.4608 56.1322 28.9333 175.9085 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 0 L 8.18 4.49 0.00 1.64 1.66 0.95 0.64 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 1 V 8.27 3.72 2.34 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 0.85 0.00 0.00 1.31 0.00 0.00 2 K 8.91 4.54 0.00 1.69 1.96 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.35 7.81 3 K 8.14 4.70 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 4 V 8.81 4.92 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 1.07 0.00 0.00 0.97 0.00 0.00 5 L 8.87 5.14 0.00 1.82 1.54 0.99 0.47 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 6 L 9.31 4.98 0.00 1.85 1.69 1.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.10 5.24 1.97 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 1.35 0.65 1.10 0.00 0.00 8 N 9.32 5.49 0.00 2.68 2.71 0.00 0.00 6.58 8.09 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 9 G 8.66 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 0.00 0.00 0.00 0.00 10 P 0.00 4.42 0.00 1.95 2.01 0.00 3.66 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 11 N 9.69 4.48 0.00 2.85 3.00 0.00 0.00 7.11 6.78 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 12 L 7.69 4.08 0.00 1.92 1.74 1.06 0.57 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 13 N 8.07 4.35 0.00 2.79 3.08 0.00 0.00 6.09 7.79 0.00 0.00 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 L 8.00 4.27 0.00 1.78 1.73 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.78 4.45 0.00 1.80 1.81 0.98 1.05 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 16 G 8.32 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 17 T 8.62 4.26 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 1.19 0.00 0.00 18 R 7.92 4.15 0.00 1.81 2.03 0.00 3.30 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 *23 Y 7.76 4.55 0.00 3.03 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 24 G 7.47 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.39 3.84 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 1.14 0.00 0.00 26 T 8.71 4.14 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 1.22 0.00 0.00 27 S 8.44 5.26 0.00 4.05 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 28 L 8.14 3.85 0.00 1.90 1.65 0.84 0.71 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 29 S 8.13 4.21 0.00 3.89 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 30 D 8.06 4.36 0.00 2.92 2.68 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 31 I 7.21 3.61 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.10 0.00 0.00 32 E 8.07 3.90 0.00 2.08 1.96 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 2.24 2.49 0.00 33 Q 8.08 3.95 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 34 A 7.97 3.98 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 35 A 7.93 3.93 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 36 I 7.85 3.67 1.98 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 1.71 1.17 0.92 0.00 0.00 37 E 8.39 3.99 0.00 1.99 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 2.64 2.46 0.00 38 Q 8.29 3.94 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 39 A 7.90 4.07 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 40 K 7.68 3.76 0.00 2.03 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.72 7.81 41 L 8.43 3.60 0.00 1.84 1.91 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.79 4.07 0.00 1.77 1.83 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.67 1.58 7.81 43 N 8.78 4.34 0.00 2.72 2.80 0.00 0.00 6.93 6.83 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 44 N 7.60 4.85 0.00 2.84 2.80 0.00 0.00 6.84 7.94 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 45 D 8.20 4.32 0.00 2.84 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 46 S 7.51 4.99 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.07 4.67 0.00 2.00 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 2.22 2.27 0.00 48 V 8.47 4.78 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 0.91 0.00 0.00 0.96 0.00 0.00 49 L 8.99 4.74 0.00 1.65 1.60 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.29 5.03 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 0.70 0.00 0.00 0.95 0.00 0.00 51 F 9.12 4.93 0.00 3.12 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 52 Q 7.31 5.37 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.06 0.00 53 S 8.34 4.60 0.00 3.94 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 54 N 8.86 4.55 0.00 2.73 2.81 0.00 0.00 6.95 7.54 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 55 T 7.66 4.26 3.48 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 0.62 0.00 0.00 56 E 8.96 3.88 0.00 1.23 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 2.10 1.76 0.00 57 G 7.91 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 0.00 0.00 0.00 58 F 8.14 4.52 0.00 3.31 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.07 3.86 2.11 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.43 1.01 0.00 0.00 60 I 8.03 3.57 1.96 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 1.57 0.69 0.75 0.00 0.00 61 D 8.64 4.28 0.00 2.79 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 62 R 7.93 3.61 0.00 0.95 1.61 0.00 2.65 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 63 I 7.48 3.69 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.87 0.00 0.00 64 H 8.20 4.35 0.00 3.27 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.17 3.90 0.00 2.02 1.99 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 2.24 2.32 0.00 66 A 8.07 3.96 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 67 K 7.99 3.95 0.00 1.87 1.80 0.00 1.65 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 68 R 7.93 3.96 0.00 2.00 1.97 0.00 3.24 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 1.63 1.65 0.00 69 Q 7.91 4.04 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 70 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 71 V 7.58 3.63 2.27 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 0.86 0.00 0.00 0.99 0.00 0.00 72 G 8.80 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 73 F 7.72 4.82 0.00 3.09 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.24 4.96 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 0.98 0.00 0.00 0.94 0.00 0.00 75 V 8.72 4.97 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 1.10 0.00 0.00 1.14 0.00 0.00 76 I 8.91 5.12 1.88 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 1.13 1.59 0.97 0.00 0.00 77 N 9.34 5.22 0.00 2.77 2.83 0.00 0.00 6.95 8.45 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 78 A 8.86 4.36 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 79 G 8.42 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 0.00 0.00 0.00 80 A 8.58 4.02 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 81 Y 7.57 4.52 0.00 3.10 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 82 T 8.17 3.94 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 1.37 0.00 0.00 83 H 8.43 5.00 0.00 3.27 3.49 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.90 4.69 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 1.33 0.00 0.00 85 S 8.39 4.44 0.00 3.61 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 86 V 7.69 3.46 1.76 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 0.79 0.00 0.00 -0.13 0.00 0.00 87 G 7.74 3.51 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 0.00 88 I 7.83 3.65 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.81 0.00 0.00 89 R 7.43 3.79 0.00 2.09 2.12 0.00 3.13 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 90 D 8.20 4.44 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 91 A 7.89 3.97 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 92 L 7.85 3.84 0.00 1.62 1.55 -0.22 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.40 4.15 0.00 1.67 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.56 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 95 T 7.83 4.26 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 1.25 0.00 0.00 96 A 7.56 3.72 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 97 I 7.33 4.36 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.87 0.00 0.00 98 P 0.00 4.44 0.00 1.14 1.94 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 99 F 7.33 5.55 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 4.78 2.06 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 1.18 1.07 0.91 0.00 0.00 101 E 9.05 4.91 0.00 2.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 102 V 8.65 4.64 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 0.24 0.00 0.00 0.75 0.00 0.00 103 H 8.72 5.08 0.00 3.11 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.76 3.95 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 1.00 0.00 0.00 105 T 7.73 4.71 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 1.24 0.00 0.00 106 N 8.35 4.56 0.00 2.78 2.77 0.00 0.00 6.62 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 0.00 107 V 8.14 3.52 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.82 0.00 0.00 108 H 7.90 4.08 0.00 3.13 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.93 4.39 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 110 R 7.37 4.84 0.00 1.85 1.68 0.00 3.14 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 111 E 8.20 3.89 0.00 1.16 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 2.38 2.29 0.00 112 P 0.00 3.68 0.00 2.09 2.05 0.00 3.48 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 113 F 7.70 4.32 0.00 3.23 3.31 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 0.00 114 R 6.93 3.81 0.00 1.54 1.73 0.00 2.98 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.68 0.00 115 H 7.62 4.41 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.11 4.24 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 117 S 8.08 4.86 0.00 3.87 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 0.00 118 Y 9.34 4.56 0.00 3.02 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 0.00 119 L 7.87 4.72 0.00 2.03 2.02 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.94 4.33 0.00 3.88 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 0.00 121 D 8.10 4.58 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 0.00 122 K 8.08 4.33 0.00 2.03 2.00 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.62 7.81 123 A 7.31 2.91 1.12 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 0.00 0.00 124 V 8.28 3.75 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 0.92 0.00 0.00 0.74 0.00 0.00 125 A 7.57 4.66 0.96 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 0.00 0.00 126 V 8.24 4.64 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 0.96 0.00 0.00 0.92 0.00 0.00 127 I 8.57 4.55 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.85 0.00 0.00 128 C 8.65 5.05 0.00 3.08 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 0.00 129 G 9.25 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 0.00 130 L 7.82 4.39 0.00 1.62 1.72 0.99 1.23 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 0.00 131 G 7.93 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 0.00 132 V 8.47 3.91 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 1.14 0.00 0.00 1.06 0.00 0.00 133 Y 8.50 4.41 0.00 3.11 3.26 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 0.00 134 G 8.10 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 0.00 135 Y 7.83 4.17 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.07 4.06 3.90 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 0.00 0.00 1.21 0.00 0.00 137 A 7.47 3.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 3.99 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 0.00 139 I 7.91 3.78 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.91 0.00 0.00 140 E 8.11 3.91 0.00 2.08 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 2.47 0.00 141 Y 8.05 4.02 0.00 3.01 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 0.00 142 A 7.73 2.78 0.94 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 0.00 143 L 7.77 4.09 0.00 1.57 1.70 0.91 1.05 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 0.00 144 N 7.31 4.68 0.00 2.50 2.68 0.00 0.00 6.88 7.18 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 0.00 145 Y 7.16 4.14 0.00 2.83 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 0.00 146 Q 7.31 4.07 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.