NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4771 8.3349 115.4150 57.3671 64.4138 173.1799 3 N 4.7680 7.6544 115.7969 52.8511 42.5575 173.2655 4 T 4.1556 9.0939 118.6215 63.9135 70.0806 174.1059 5 L 5.0421 8.0507 119.3220 54.1671 44.2405 176.5231 6 F 4.7890 7.9009 118.2082 57.6074 42.5491 171.9127 7 D 5.5707 7.0248 123.0307 52.8912 44.3204 173.5632 8 D 4.4371 7.8725 124.4842 54.5607 44.6627 174.5541 9 I 5.8591 7.3626 120.5590 58.8194 40.6780 175.1008 10 F 5.3328 9.1726 123.5723 55.7633 43.5605 173.4939 11 Q 5.5775 8.8407 119.7414 53.2264 32.1314 173.2739 12 V 3.8215 8.8168 126.7318 63.7909 31.9228 176.2141 13 S 4.1661 9.5041 124.3442 61.0265 62.8039 173.6705 14 E 4.7798 7.8690 117.7845 55.2189 32.9841 173.3567 15 V 4.7329 8.3631 123.3353 61.0467 34.2796 174.1015 16 D 4.8588 9.3934 127.3985 51.4302 44.0988 173.8093 17 P 4.9092 0.0000 0.0000 61.3005 30.5081 176.6281 18 G 3.5834 7.8593 107.9785 47.2293 0.0000 171.9187 19 R 3.8001 8.2737 129.3930 57.1616 27.6595 178.5495 20 Y 5.2041 7.2578 114.2445 55.7579 39.4539 175.7829 21 N 4.3411 8.6972 121.2795 55.8793 39.4341 175.8059 22 K 4.7311 7.9944 113.4189 55.5918 35.2975 175.8109 23 V 4.8393 7.9675 119.1478 61.4287 34.8811 174.2178 24 C 5.1639 8.9982 123.7486 57.9909 32.2247 172.9545 25 R 4.7479 9.2088 124.2318 55.5563 31.3617 174.9424 26 I 5.1484 9.1007 125.8134 59.4436 42.1274 173.8090 27 E 5.7694 9.0279 124.0062 54.5606 33.8328 174.3898 28 A 5.5034 8.9045 123.8833 49.6707 23.5123 174.3429 29 A 4.9777 8.5232 120.0928 50.0835 22.2780 176.2728 30 S 4.0422 8.2927 114.3682 57.6948 63.1696 174.7356 31 T 4.5488 7.6773 123.7120 62.8432 69.9157 174.6552 32 T 4.1729 7.4951 125.0175 63.6309 76.4400 177.2854 33 Q 4.0563 9.0345 129.3193 57.3245 29.5428 176.1320 34 D 4.8946 8.5615 122.9466 55.1958 41.5771 177.2551 35 Q 4.4977 8.0214 119.1721 57.1658 32.1318 175.5644 36 C 4.9954 7.9833 118.6190 59.2773 31.5185 173.1291 37 K 5.0596 8.5643 125.5259 55.0397 34.9275 175.1884 38 L 4.8938 8.3998 122.6780 54.1810 46.1429 174.7243 39 T 5.1317 8.8833 121.5878 61.8209 72.6209 172.7343 40 L 5.0033 9.2091 127.4365 53.9906 46.0448 174.0885 41 D 5.1878 8.7009 126.2650 54.2164 42.1150 176.0372 42 I 4.7619 8.6810 121.9366 59.8010 42.1708 174.4601 43 N 5.0942 9.4300 125.4558 52.8644 38.1994 175.0006 44 V 4.5421 8.0169 122.0941 62.6064 31.1640 175.7926 45 E 4.4582 8.7881 121.7377 56.4057 31.1425 176.5770 46 L 4.5057 7.8191 115.9878 53.2051 41.7806 176.4921 47 F 5.4209 7.3701 127.0519 57.5778 40.5240 171.2961 48 P 4.3470 0.0000 0.0000 62.2824 31.8945 177.0437 49 V 3.8886 7.7954 119.8536 62.1259 33.2681 173.1887 50 A 4.6268 8.2373 130.1458 49.7995 20.8993 176.0657 51 A 3.9660 8.3498 123.4173 53.9901 18.8380 175.7604 52 Q 3.5873 9.2899 122.4938 55.9533 25.8464 172.6216 53 D 4.8808 7.8591 119.7299 52.7493 46.2856 174.3727 54 S 5.1858 8.7632 116.2752 57.2054 63.6494 172.8657 55 L 5.0647 8.7408 126.0355 53.4132 44.8920 175.8434 56 T 5.0605 8.5648 119.5111 62.3521 70.2555 173.9664 57 V 4.8909 9.0494 127.4417 61.5791 33.8685 174.9755 58 T 6.0077 7.9213 120.8366 62.5564 73.0693 173.0764 59 I 4.7298 8.5933 125.4808 59.8926 40.7052 178.3501 60 A 4.2724 9.6521 130.2137 54.0364 18.3248 179.0127 61 S 4.9287 8.7669 114.4542 55.5508 62.4298 172.7053 62 S 4.4682 6.6126 112.0450 59.8798 66.9672 176.7042 63 L 4.4897 7.2550 119.7275 54.4741 42.7528 176.6701 64 N 4.4505 7.5903 113.7192 54.2873 38.8230 174.7872 *76 T 4.2363 7.4472 107.3621 60.4118 70.2663 171.9765 77 R 4.2837 8.2627 116.7103 56.6864 34.7618 172.2564 78 S 4.1057 8.7620 110.7821 58.9244 62.5126 175.1332 79 W 4.4643 8.8899 135.0000 57.3378 31.2913 175.0681 80 R 4.4100 6.9914 121.7602 53.2698 32.9183 175.9747 81 P 3.8868 0.0000 0.0000 61.2986 32.5082 173.6096 82 P 4.0286 0.0000 0.0000 62.4918 30.6908 178.2468 83 Q 3.4073 8.9293 121.5370 56.8230 30.0250 173.9508 84 A 4.4347 8.9729 119.0664 52.3426 18.1041 178.1926 85 G 4.0418 7.5511 109.5424 49.3319 0.0000 173.8904 86 D 4.6452 7.6562 118.4476 51.8330 41.4288 173.8914 87 R 4.6176 7.8043 122.0598 54.1154 34.5732 175.0172 88 S 4.2696 8.3566 115.3763 59.3794 63.3205 175.1785 89 L 4.3052 7.7342 116.7842 55.4031 40.7881 174.8928 90 A 4.3257 8.5102 126.3557 53.6136 17.7860 178.9777 91 D 4.6246 8.7698 115.5944 55.7346 39.0588 178.3818 92 D 4.8208 7.8626 121.3226 54.1896 39.6444 174.8695 93 Y 4.7137 9.0556 117.3429 57.4280 42.0165 175.2793 94 D 4.9085 8.7706 120.4459 53.6913 41.9167 175.3884 95 Y 4.8043 7.1619 121.9974 57.4289 42.0775 171.8022 96 V 5.3760 8.4838 126.3650 60.6761 34.3247 174.4860 97 M 4.6619 8.4418 127.1126 54.0219 35.3002 174.1191 98 Y 5.2816 8.3235 119.9404 56.7489 41.6444 174.4236 99 G 3.9156 8.5669 112.2019 46.2916 0.0000 171.9052 100 T 5.3267 9.0434 116.4702 60.7051 73.5112 172.9680 101 A 4.1145 7.8627 122.9012 51.0104 19.4093 176.1588 102 Y 4.6044 8.3044 121.0912 57.9900 39.8351 176.3019 103 K 4.7437 7.3686 120.4303 54.1052 35.8671 174.8749 104 F 4.6753 8.8279 124.9093 55.4731 38.3523 174.4390 105 E 4.1290 8.7910 123.2834 56.1926 31.3546 175.3321 106 E 4.7850 8.5467 125.1245 53.5362 29.8925 178.1117 107 V 3.7481 8.1286 132.0091 63.1015 30.8355 176.6696 108 S 3.3522 8.9059 112.9453 59.1301 65.2604 174.0853 109 K 3.9693 9.6619 124.4502 57.1703 30.4348 176.7281 110 D 4.4682 9.0475 109.3925 53.0835 40.4918 175.9397 111 L 4.9673 8.0978 121.8652 53.5546 42.8425 175.4395 112 I 4.6682 8.0456 124.3466 59.5221 40.6422 174.0241 113 A 5.4879 8.5861 128.2194 49.1933 22.3945 175.3704 114 V 4.0096 7.8354 114.3330 59.3522 35.3402 174.1019 115 Y 5.0609 7.8908 121.4196 56.3389 40.6680 174.4274 116 Y 5.0091 8.8638 121.0249 56.0385 42.2534 174.3463 117 S 4.8868 9.3705 117.9802 56.5723 65.6037 173.2926 118 F 4.8602 9.9377 127.8965 56.2595 38.1190 175.9366 119 G 4.2782 8.9748 114.6090 46.4818 0.0000 170.6677 120 G 3.8696 7.5493 110.4810 45.7127 0.0000 174.9944 121 L 4.2364 8.0715 122.7224 54.3283 42.7819 177.2602 122 L 4.9937 9.7204 125.7741 54.2492 44.6086 174.9317 123 M 4.9320 8.2105 115.3264 55.2419 36.3126 173.4739 124 R 4.8838 8.9827 125.1844 54.4702 33.7068 173.6284 125 L 5.2155 8.3753 126.9063 53.4688 46.2249 174.5189 126 E 5.8123 8.5643 121.2573 52.9234 35.1581 175.1377 127 G 4.0373 9.2022 109.7899 44.5531 0.0000 174.0038 128 N 4.2569 6.0159 127.8160 53.1452 38.7741 173.0879 129 Y 4.8463 6.1155 116.2781 56.6439 40.6450 176.2027 130 R 4.3365 7.7446 120.6010 56.4921 30.4042 178.2199 131 N 4.4818 8.2743 116.8614 55.7019 39.0044 176.4642 132 L 4.8213 7.9474 115.3232 54.2933 42.1770 175.7540 133 N 4.9675 7.2486 112.7968 54.8103 41.8913 175.6717 134 N 4.8880 7.9637 119.7922 53.5653 36.6625 175.0438 135 L 4.2554 7.9167 121.5331 54.7148 42.7216 178.2580 136 K 4.2201 8.2839 119.0500 56.8073 31.6107 177.5960 137 Q 4.2153 7.4999 117.9839 55.9761 29.1663 177.4481 138 E 3.9544 8.8757 119.6845 59.1720 29.9318 176.6867 139 N 4.5285 8.1563 115.2600 53.8217 39.5070 171.7271 140 A 3.9682 8.6231 121.5312 51.8042 18.0348 174.5929 141 Y 4.6572 9.0529 120.5794 57.4029 39.8609 174.2868 142 L 4.5788 8.6656 126.4023 53.6674 44.2999 175.1345 143 L 5.0455 7.8869 123.3199 53.0482 46.3161 175.3792 144 I 5.6853 8.6139 121.9392 58.9727 41.6513 174.4487 145 R 4.9825 8.9454 122.0749 55.3076 33.3011 175.4946 146 R 4.2552 8.7229 119.6862 56.6974 31.8568 175.4105 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 4.48 0.00 3.99 4.02 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 3 N 7.65 4.77 0.00 2.83 2.72 0.00 0.00 7.01 6.17 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 4 T 9.09 4.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 5 L 8.05 5.04 0.00 1.71 1.78 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.90 4.79 0.00 3.21 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 7 D 7.02 5.57 0.00 2.66 2.35 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 8 D 7.87 4.44 0.00 2.42 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 9 I 7.36 5.86 1.87 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 1.43 1.21 1.02 0.00 0.00 10 F 9.17 5.33 0.00 2.93 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.84 5.58 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 12 V 8.82 3.82 2.22 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 0.96 0.00 0.00 0.97 0.00 0.00 13 S 9.50 4.17 0.00 3.93 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.87 4.78 0.00 2.06 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 0.00 2.29 2.30 0.00 15 V 8.36 4.73 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 0.89 0.00 0.00 0.99 0.00 0.00 16 D 9.39 4.86 0.00 2.78 2.59 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 0.00 0.00 0.00 0.00 17 P 0.00 4.91 0.00 2.25 2.09 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 18 G 7.86 3.58 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 0.00 19 R 8.27 3.80 0.00 1.66 1.84 0.00 3.28 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 20 Y 7.26 5.20 0.00 2.98 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 21 N 8.70 4.34 0.00 2.74 2.96 0.00 0.00 6.98 7.61 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 22 K 7.99 4.73 0.00 1.62 1.72 0.00 1.60 0.00 0.00 2.03 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 23 V 7.97 4.84 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 0.75 0.00 0.00 0.82 0.00 0.00 24 C 9.00 5.16 0.00 2.91 2.79 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 0.00 0.00 0.00 0.00 25 R 9.21 4.75 0.00 2.06 1.85 0.00 3.09 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 26 I 9.10 5.15 1.89 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 1.24 0.98 0.93 0.00 0.00 27 E 9.03 5.77 0.00 1.95 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 2.42 2.12 0.00 28 A 8.90 5.50 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 29 A 8.52 4.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.29 4.04 0.00 3.47 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 31 T 7.68 4.55 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 1.18 0.00 0.00 32 T 7.50 4.17 4.04 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 1.05 0.00 0.00 33 Q 9.03 4.06 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.14 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00 34 D 8.56 4.89 0.00 2.67 2.69 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 35 Q 8.02 4.50 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.21 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 36 C 7.98 5.00 0.00 3.35 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 37 K 8.56 5.06 0.00 1.78 1.75 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.71 7.81 38 L 8.40 4.89 0.00 1.41 1.39 0.75 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.88 5.13 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 1.27 0.00 0.00 40 L 9.21 5.00 0.00 1.59 1.36 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.70 5.19 0.00 2.74 2.62 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 42 I 8.68 4.76 1.96 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 0.90 0.84 1.35 0.00 0.00 43 N 9.43 5.09 0.00 2.79 2.64 0.00 0.00 6.72 6.99 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 44 V 8.02 4.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 45 E 8.79 4.46 0.00 1.92 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 2.21 2.23 0.00 46 L 7.82 4.51 0.00 1.45 1.55 0.81 1.13 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 47 F 7.37 5.42 0.00 3.15 3.20 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 48 P 0.00 4.35 0.00 1.92 1.87 0.00 3.58 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 49 V 7.80 3.89 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 0.69 0.00 0.00 0.57 0.00 0.00 50 A 8.24 4.63 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.35 3.97 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 52 Q 9.29 3.59 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 53 D 7.86 4.88 0.00 2.58 2.55 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 54 S 8.76 5.19 0.00 3.90 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 55 L 8.74 5.06 0.00 1.73 1.68 1.06 0.94 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 56 T 8.56 5.06 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 1.40 0.00 0.00 57 V 9.05 4.89 2.54 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 1.21 0.00 0.00 0.65 0.00 0.00 58 T 7.92 6.01 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 1.37 0.00 0.00 59 I 8.59 4.73 1.98 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.35 0.93 0.00 0.00 60 A 9.65 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.77 4.93 0.00 4.08 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 62 S 6.61 4.47 0.00 3.89 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 63 L 7.26 4.49 0.00 1.47 1.40 0.69 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.59 4.45 0.00 2.86 2.80 0.00 0.00 6.79 7.59 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 *76 T 7.45 4.24 4.44 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 1.43 0.00 0.00 77 R 8.26 4.28 0.00 1.92 2.00 0.00 3.31 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 78 S 8.76 4.11 0.00 3.93 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 79 W 8.89 4.46 0.00 3.30 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 80 R 6.99 4.41 0.00 1.41 1.48 0.00 3.16 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 81 P 0.00 3.89 0.00 1.89 1.96 0.00 3.45 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 82 P 0.00 4.03 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 83 Q 8.93 3.41 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.18 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 84 A 8.97 4.43 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 85 G 7.55 4.04 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 0.00 86 D 7.66 4.65 0.00 2.57 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 87 R 7.80 4.62 0.00 1.84 1.74 0.00 3.29 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 1.50 1.61 0.00 88 S 8.36 4.27 0.00 3.82 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 89 L 7.73 4.31 0.00 2.02 1.75 1.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.51 4.33 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 91 D 8.77 4.62 0.00 2.85 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 92 D 7.86 4.82 0.00 2.53 2.49 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 93 Y 9.06 4.71 0.00 2.63 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 94 D 8.77 4.91 0.00 2.44 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 95 Y 7.16 4.80 0.00 2.47 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 0.00 0.00 0.00 96 V 8.48 5.38 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 1.11 0.00 0.00 0.89 0.00 0.00 97 M 8.44 4.66 0.00 1.50 1.16 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.61 0.00 98 Y 8.32 5.28 0.00 2.43 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 99 G 8.57 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 0.00 100 T 9.04 5.33 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 101 A 7.86 4.11 0.62 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 0.00 102 Y 8.30 4.60 0.00 2.90 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 0.00 103 K 7.37 4.74 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.54 7.81 104 F 8.83 4.68 0.00 2.85 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 0.00 105 E 8.79 4.13 0.00 2.29 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 0.00 2.33 2.36 0.00 106 E 8.55 4.79 0.00 1.88 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 2.22 2.29 0.00 107 V 8.13 3.75 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 0.77 0.00 0.00 0.94 0.00 0.00 108 S 8.91 3.35 0.00 4.14 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 0.00 109 K 9.66 3.97 0.00 1.91 1.65 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.42 7.81 110 D 9.05 4.47 0.00 2.93 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 0.00 111 L 8.10 4.97 0.00 1.90 1.63 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.05 4.67 1.82 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 1.29 1.25 0.80 0.00 0.00 113 A 8.59 5.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.84 4.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.75 0.00 0.00 115 Y 7.89 5.06 0.00 1.96 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 0.00 116 Y 8.86 5.01 0.00 2.68 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 0.00 0.00 0.00 0.00 117 S 9.37 4.89 0.00 3.85 3.59 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 0.00 0.00 0.00 0.00 118 F 9.94 4.86 0.00 3.14 3.05 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 0.00 119 G 8.97 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 0.00 120 G 7.55 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 0.00 121 L 8.07 4.24 0.00 1.92 1.79 1.01 0.39 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 0.00 122 L 9.72 4.99 0.00 1.71 1.75 0.98 -0.41 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 0.00 123 M 8.21 4.93 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 124 R 8.98 4.88 0.00 1.96 1.70 0.00 3.22 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.00 125 L 8.38 5.22 0.00 1.56 1.21 0.74 -0.05 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 0.00 126 E 8.56 5.81 0.00 1.99 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 0.00 2.11 2.01 0.00 127 G 9.20 4.04 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 0.00 128 N 6.02 4.26 0.00 2.70 2.74 0.00 0.00 6.59 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 0.00 129 Y 6.12 4.85 0.00 3.24 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 0.00 130 R 7.74 4.34 0.00 2.05 2.24 0.00 3.76 0.00 0.00 3.64 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 131 N 8.27 4.48 0.00 2.76 2.91 0.00 0.00 6.97 7.85 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 0.00 132 L 7.95 4.82 0.00 1.63 1.65 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.25 4.97 0.00 2.78 3.01 0.00 0.00 6.88 9.11 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 0.00 134 N 7.96 4.89 0.00 2.85 2.98 0.00 0.00 6.90 7.85 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 0.00 135 L 7.92 4.26 0.00 1.82 1.67 0.98 0.94 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 0.00 136 K 8.28 4.22 0.00 1.40 1.37 0.00 1.24 0.00 0.00 1.41 0.00 0.00 2.69 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.40 0.21 7.81 137 Q 7.50 4.22 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 138 E 8.88 3.95 0.00 2.00 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 2.30 2.20 0.00 139 N 8.16 4.53 0.00 3.01 2.98 0.00 0.00 6.98 7.96 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 0.00 140 A 8.62 3.97 1.61 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 0.00 0.00 141 Y 9.05 4.66 0.00 2.86 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 0.00 142 L 8.67 4.58 0.00 1.44 0.95 0.75 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.89 5.05 0.00 0.33 0.13 0.74 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.61 5.69 1.43 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.78 0.86 0.00 0.00 145 R 8.95 4.98 0.00 1.79 1.99 0.00 2.68 0.00 0.00 2.67 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 146 R 8.72 4.26 0.00 1.95 2.56 0.00 3.44 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.