NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-13 H 4.7091 8.4449 117.3726 54.5838 29.6985 172.4283 -12 M 4.5109 7.9505 122.9282 52.6636 34.3775 173.2841 -11 G 4.0213 7.6044 107.9385 44.9549 0.0000 173.1664 -10 T 4.3186 8.3681 109.8496 61.2183 69.8934 174.0071 -9 L 4.7718 7.9599 121.5101 54.2395 45.1994 176.5808 -8 E 3.8961 9.6678 119.0121 57.6520 27.1185 174.4227 -7 A 3.8054 8.2550 115.0912 53.1506 16.5736 177.6390 -6 Q 4.5908 7.9096 118.8870 55.3886 32.2403 174.8389 -5 T 4.2652 8.4444 113.9879 62.3302 69.2800 173.4003 -4 Q 4.5238 9.2158 120.9936 56.2094 30.1180 175.9825 -3 G 4.0702 8.4447 103.6243 43.8162 0.0000 172.1956 -2 P 4.3642 0.0000 0.0000 63.7349 31.5876 176.7381 -1 G 4.1270 9.0287 111.6064 45.7160 0.0000 174.7525 0 S 4.2894 8.4621 114.2253 59.9522 63.5373 173.5830 1 M 4.7495 7.8215 120.3332 53.5837 34.6207 173.9856 2 S 4.7433 8.3166 118.7768 56.0789 66.6277 173.6433 3 K 3.9844 8.8267 121.7355 58.8889 31.9612 176.5776 4 L 5.0544 7.7294 116.8670 53.1508 44.0797 176.1890 5 T 4.6368 8.5988 119.6356 61.5068 71.5305 173.5861 6 V 4.0619 8.4895 126.8546 62.8017 32.3929 175.0860 7 V 4.1997 8.5937 128.5213 61.8726 32.5149 175.6764 8 A 4.6562 8.4579 128.9453 50.3247 20.4003 173.7599 9 S 4.5560 9.9529 116.3019 57.0267 63.3965 173.3745 10 P 4.5422 0.0000 0.0000 63.9588 31.5490 176.7956 11 L 3.8621 7.5356 118.6879 55.9144 42.1176 176.9607 12 A 4.6383 7.0992 119.3046 50.0644 19.7634 175.1957 13 P 4.3140 0.0000 0.0000 62.4541 31.9162 176.5064 14 E 3.7962 8.6614 122.6449 56.3480 29.9658 176.6758 15 A 4.0132 8.2284 128.8098 50.1662 17.7850 175.8415 16 V 4.0521 7.8980 121.0798 63.5235 33.7060 174.7185 17 G 4.0257 8.5457 112.7713 44.7796 0.0000 173.7690 18 A 4.3500 8.5459 124.3948 51.9748 18.5657 176.3532 19 Y 4.9356 7.7158 116.2263 57.5489 41.2512 173.7743 20 S 4.7039 8.3462 115.8663 56.4525 66.0083 174.3307 21 Q 4.4372 8.6601 121.5653 59.4870 29.4853 176.5547 22 A 5.0516 7.7239 117.2614 51.1904 22.9997 175.0775 23 I 4.9982 8.7987 119.6544 59.6654 41.0646 174.9027 24 I 4.9455 8.9315 127.6718 60.3258 39.3176 174.5549 25 C 5.0134 9.3543 127.0061 58.4290 35.0333 173.6493 26 N 4.3316 10.1124 124.4299 54.5038 36.0555 175.2128 27 G 3.9884 8.5077 103.5751 45.5845 0.0000 173.0488 28 M 5.0997 8.0069 118.8622 53.1812 35.8805 174.8197 29 V 4.7060 8.6242 122.1632 61.5510 34.1031 174.0324 30 Y 4.7717 9.2966 127.2632 56.8765 39.4317 174.5233 31 C 5.0628 8.9051 123.2514 58.1647 30.2786 174.2875 32 S 4.5371 9.1298 119.7504 58.2034 63.5803 174.4423 33 G 3.8702 8.4722 109.0618 46.3075 0.0000 173.2307 34 Q 4.5757 9.2765 127.1295 55.3593 30.1757 175.8983 35 I 4.7562 8.3631 116.6378 58.4628 41.0573 174.6777 36 G 4.2482 8.5739 107.0899 46.6778 0.0000 173.8035 37 L 4.6458 7.8888 119.2750 54.0460 43.2534 176.7760 38 D 4.7004 8.9455 123.2698 52.7121 40.6826 177.0158 39 R 3.8789 8.9614 126.9122 59.4917 30.2915 178.5294 40 K 4.3058 8.3799 116.6327 58.5991 32.1258 177.7055 41 T 4.3057 7.2602 105.2416 60.4085 70.3031 175.5604 42 G 3.8229 8.3816 109.0357 45.7798 0.0000 172.5209 43 D 4.8936 7.8099 119.4707 51.5652 43.7655 175.6691 44 F 4.5766 8.4195 118.5561 57.4843 39.3786 176.0481 45 A 4.1067 9.1614 127.4168 55.0729 18.3310 177.6304 46 G 3.9822 7.5508 104.4794 46.0760 0.0000 173.9578 47 K 4.1145 8.7908 119.8628 55.8317 32.3579 175.5034 48 T 4.5606 7.6783 108.0254 60.9466 71.7549 175.4151 49 I 3.6717 8.2016 121.7642 64.3683 37.9276 177.9993 50 E 3.9754 8.1149 118.7821 59.6444 29.4496 179.0824 51 E 4.0281 8.0633 118.1044 59.5300 29.4944 179.5306 52 Q 4.1419 8.3159 118.1584 58.8615 28.8092 178.7252 53 S 4.3278 8.4931 116.6038 61.6131 62.9175 176.8929 54 K 3.9386 8.0998 121.1468 59.5200 31.8090 179.2445 55 Q 3.9460 8.1124 119.8248 59.0236 28.9397 178.1722 56 V 3.6402 8.3196 119.7629 66.5779 31.5440 178.0278 57 M 3.9866 8.1189 118.2097 58.4687 31.7060 178.9513 58 T 3.4883 7.8961 115.9891 66.4666 68.6029 176.3728 59 N 4.3824 8.4080 118.7332 56.3968 38.5613 177.4339 60 L 4.0138 8.0057 120.3116 57.6700 41.6344 179.4251 61 K 3.8423 7.7782 119.5239 59.6779 32.0624 178.4053 62 Y 4.3508 7.6757 117.0055 61.1154 37.8230 178.8048 63 V 3.6732 8.0161 119.1102 65.9943 31.6040 178.0727 64 L 4.0103 8.3472 119.1485 58.0048 41.6079 179.4736 65 E 4.2211 8.4680 120.0569 58.7326 29.1468 178.8674 66 E 3.9466 8.1919 118.4795 59.3432 29.7670 178.5801 67 A 4.2089 7.7703 119.5175 53.4120 18.4790 178.3444 68 G 3.9625 7.8659 104.7284 45.3686 0.0000 173.6966 69 S 4.8790 7.9139 116.3577 58.0194 64.4326 172.5389 70 S 4.6456 8.0291 110.7854 57.9447 65.2415 175.8730 71 M 4.1178 8.5069 120.4542 58.7900 31.6968 178.8819 72 D 4.2285 7.5673 116.8107 56.3348 41.2117 177.1702 73 K 4.3740 7.7790 117.6561 55.7479 32.4316 176.0855 74 V 3.9928 7.6578 120.5511 63.0515 32.1725 175.7866 75 V 4.0477 8.9762 127.6012 64.8460 33.0501 175.7205 76 K 5.1715 7.7701 120.3434 55.3561 35.7464 174.7790 77 T 5.2944 9.1866 117.0200 60.2534 72.7782 172.7488 78 T 5.1448 8.7577 118.0295 62.0330 72.4115 172.8683 79 C 4.9050 9.2171 124.3292 58.0467 30.8958 172.7588 80 L 4.4670 8.6620 124.9086 52.6252 43.7877 175.8381 81 L 5.0166 8.1603 122.6491 52.6964 44.5544 177.5745 82 A 4.0780 8.6720 124.1485 54.3046 19.3700 177.7245 83 D 4.5274 7.7520 114.8888 51.6003 44.0979 175.6806 84 I 3.7444 8.6731 129.0934 64.6021 37.7055 178.2981 85 K 4.1133 8.4115 123.8907 59.3147 31.7086 181.9500 86 D 4.8653 8.2675 116.1485 55.3103 40.8269 177.8640 87 F 4.4662 8.4806 123.1776 61.4784 39.3742 177.0631 88 G 3.5542 8.2389 104.5961 47.8737 0.0000 175.6423 89 V 3.5797 7.7222 120.4882 65.4304 31.6046 177.5388 90 F 4.1388 8.3793 120.5508 61.4771 39.1890 176.5224 91 N 3.9128 8.3361 116.9284 56.4652 38.6204 176.9627 92 G 3.5445 7.7541 106.6380 47.8826 0.0000 175.8196 93 I 3.6926 7.3408 122.2330 63.9460 37.0816 177.8435 94 Y 3.7368 7.8231 120.5355 60.5248 38.3561 177.9996 95 A 4.0289 8.1265 120.6539 55.3263 18.6788 178.9086 96 E 3.9463 8.2553 117.5197 59.3199 29.4340 178.9107 97 A 3.8042 7.5986 120.0976 54.6872 18.7373 178.8462 98 F 4.2831 8.0342 114.5311 57.0411 39.4818 177.1146 99 G 3.7085 7.9001 107.6720 47.3397 0.0000 174.5755 100 N 4.7330 8.8118 122.3253 52.9979 38.7278 174.1171 101 H 4.5347 8.1004 119.3700 55.6868 30.4820 175.5070 102 K 4.2709 7.7113 125.1900 53.3357 32.5258 174.0396 103 P 4.4027 0.0000 0.0000 61.7059 32.4885 175.6842 104 A 4.2952 8.5884 123.1898 52.5800 19.5977 176.5660 105 R 5.2001 8.2092 117.5957 55.1958 33.4097 174.0119 106 A 4.9495 8.9011 125.1972 50.4912 22.7282 174.8490 107 C 5.4475 8.6272 117.3596 58.3203 32.3835 173.2839 108 F 4.8559 8.4696 115.5205 55.9440 41.4149 172.5381 109 A 4.8032 8.5522 121.7675 50.9171 19.4548 177.3728 110 A 4.4937 8.4522 124.8931 51.2527 19.1849 177.6144 111 A 3.9933 8.7756 121.8632 55.2216 18.7003 177.7684 112 A 4.4453 7.1937 114.5645 51.7749 21.8351 174.9031 113 L 4.9061 7.7849 118.2782 51.7639 45.7014 174.8129 114 P 4.2735 0.0000 0.0000 64.2678 31.6806 176.9248 115 K 3.8645 9.5282 119.1502 57.2837 29.5685 176.0136 116 G 3.8620 8.1187 104.3043 46.1154 0.0000 174.5702 117 A 3.7381 7.9492 121.7312 52.4951 18.8343 178.7494 118 L 4.3758 8.8800 120.7905 56.2842 42.9793 177.1831 119 V 4.6463 7.1993 115.6052 60.6512 33.8361 172.3867 120 E 4.9661 8.9270 124.3672 54.5642 33.5247 174.1443 121 V 4.8226 8.8413 125.7097 61.2991 35.0169 174.1232 122 E 5.3769 8.8227 125.8058 55.2172 33.0374 174.1258 123 C 5.1027 8.1895 112.8903 57.7175 33.6918 172.2738 124 I 4.8622 8.7630 119.6310 59.1806 40.5324 174.0254 125 A 5.2092 8.8895 129.5511 50.5293 23.0291 174.4238 126 T 4.7641 8.3238 113.6550 60.2015 69.4902 174.6409 127 L 4.2766 8.3307 125.4702 55.0966 41.2637 177.0132 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 *-13 H 8.44 4.71 0.00 2.95 2.93 0.00 7.14 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -12 M 7.95 4.51 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 -11 G 7.60 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 0.00 0.00 0.00 -10 T 8.37 4.32 4.34 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 1.26 0.00 0.00 -9 L 7.96 4.77 0.00 1.65 1.54 0.97 1.47 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 -8 E 9.67 3.90 0.00 2.06 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 2.23 2.28 0.00 -7 A 8.25 3.81 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 -6 Q 7.91 4.59 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 -5 T 8.44 4.27 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 1.21 0.00 0.00 -4 Q 9.22 4.52 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 -3 G 8.44 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 0.00 0.00 0.00 -2 P 0.00 4.36 0.00 2.05 2.02 0.00 3.65 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 2.03 2.09 0.00 -1 G 9.03 4.13 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 0.00 0 S 8.46 4.29 0.00 4.09 4.13 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 1 M 7.82 4.75 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 S 8.32 4.74 0.00 3.95 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 3 K 8.83 3.98 0.00 1.74 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 L 7.73 5.05 0.00 1.55 1.56 0.90 0.77 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 5 T 8.60 4.64 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 1.23 0.00 0.00 6 V 8.49 4.06 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 0.73 0.00 0.00 0.93 0.00 0.00 7 V 8.59 4.20 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 0.87 0.00 0.00 0.98 0.00 0.00 8 A 8.46 4.66 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.95 4.56 0.00 3.85 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 10 P 0.00 4.54 0.00 2.14 2.10 0.00 3.75 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 1.90 1.93 0.00 11 L 7.54 3.86 0.00 0.79 0.14 0.61 0.57 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 12 A 7.10 4.64 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 13 P 0.00 4.31 0.00 2.10 2.01 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 14 E 8.66 3.80 0.00 1.90 1.83 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 2.23 2.27 0.00 15 A 8.23 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.90 4.05 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 0.82 0.00 0.00 0.90 0.00 0.00 17 G 8.55 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 18 A 8.55 4.35 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 19 Y 7.72 4.94 0.00 3.23 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 20 S 8.35 4.70 0.00 3.90 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 0.00 21 Q 8.66 4.44 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 22 A 7.72 5.05 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 23 I 8.80 5.00 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.94 0.00 0.00 24 I 8.93 4.95 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.99 0.00 0.00 25 C 9.35 5.01 0.00 2.95 2.87 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 26 N 10.11 4.33 0.00 2.96 2.91 0.00 0.00 7.25 7.65 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 27 G 8.51 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.01 5.10 0.00 1.55 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 29 V 8.62 4.71 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 1.10 0.00 0.00 0.93 0.00 0.00 30 Y 9.30 4.77 0.00 2.93 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 31 C 8.91 5.06 0.00 3.07 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 32 S 9.13 4.54 0.00 3.94 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 33 G 8.47 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 34 Q 9.28 4.58 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 35 I 8.36 4.76 2.12 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 1.30 0.62 1.02 0.00 0.00 36 G 8.57 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 0.00 0.00 0.00 0.00 37 L 7.89 4.65 0.00 1.46 1.46 0.75 0.05 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 38 D 8.95 4.70 0.00 2.72 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 39 R 8.96 3.88 0.00 1.97 1.95 0.00 3.26 0.00 0.00 3.59 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 40 K 8.38 4.31 0.00 1.97 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.36 7.81 41 T 7.26 4.31 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 42 G 8.38 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 43 D 7.81 4.89 0.00 2.70 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 44 F 8.42 4.58 0.00 3.11 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 45 A 9.16 4.11 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 46 G 7.55 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.79 4.11 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 0.99 7.81 48 T 7.68 4.56 4.41 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 1.24 0.00 0.00 49 I 8.20 3.67 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.94 0.00 0.00 50 E 8.11 3.98 0.00 2.10 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 2.40 2.48 0.00 51 E 8.06 4.03 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 52 Q 8.32 4.14 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 53 S 8.49 4.33 0.00 3.99 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 54 K 8.10 3.94 0.00 1.97 1.84 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.56 7.81 55 Q 8.11 3.95 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 56 V 8.32 3.64 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 1.13 0.00 0.00 1.18 0.00 0.00 57 M 8.12 3.99 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.97 0.00 58 T 7.90 3.49 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 0.65 0.00 0.00 59 N 8.41 4.38 0.00 2.86 3.10 0.00 0.00 7.07 6.69 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 60 L 8.01 4.01 0.00 1.76 1.70 1.02 0.79 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 61 K 7.78 3.84 0.00 1.60 1.66 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.33 1.39 7.81 62 Y 7.68 4.35 0.00 3.24 2.90 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 63 V 8.02 3.67 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 1.10 0.00 0.00 1.14 0.00 0.00 64 L 8.35 4.01 0.00 1.83 1.80 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.47 4.22 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 66 E 8.19 3.95 0.00 2.05 2.28 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 2.34 2.40 0.00 67 A 7.77 4.21 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 68 G 7.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.91 4.88 0.00 3.84 3.88 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 70 S 8.03 4.65 0.00 3.96 3.89 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 71 M 8.51 4.12 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 72 D 7.57 4.23 0.00 2.49 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 73 K 7.78 4.37 0.00 1.95 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.32 7.81 74 V 7.66 3.99 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 0.80 0.00 0.00 1.18 0.00 0.00 75 V 8.98 4.05 2.17 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 0.84 0.00 0.00 0.91 0.00 0.00 76 K 7.77 5.17 0.00 1.88 1.58 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.54 7.81 77 T 9.19 5.29 4.50 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 1.45 0.00 0.00 78 T 8.76 5.14 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 79 C 9.22 4.90 0.00 2.75 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.66 4.47 0.00 1.38 1.11 0.88 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.16 5.02 0.00 1.41 1.52 1.01 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.67 4.08 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 83 D 7.75 4.53 0.00 2.60 2.60 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 84 I 8.67 3.74 1.83 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 1.38 0.94 0.89 0.00 0.00 85 K 8.41 4.11 0.00 1.89 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.36 7.81 86 D 8.27 4.87 0.00 2.88 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 87 F 8.48 4.47 0.00 3.18 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 88 G 8.24 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 89 V 7.72 3.58 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 1.05 0.00 0.00 0.95 0.00 0.00 90 F 8.38 4.14 0.00 3.22 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 91 N 8.34 3.91 0.00 2.36 2.59 0.00 0.00 7.17 8.43 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 92 G 7.75 3.54 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 0.00 93 I 7.34 3.69 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 1.36 0.53 0.84 0.00 0.00 94 Y 7.82 3.74 0.00 2.13 2.71 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 95 A 8.13 4.03 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 96 E 8.26 3.95 0.00 2.10 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 2.24 2.28 0.00 97 A 7.60 3.80 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.03 4.28 0.00 3.01 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 99 G 7.90 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 0.00 100 N 8.81 4.73 0.00 2.73 2.86 0.00 0.00 6.71 8.16 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 0.00 101 H 8.10 4.53 0.00 3.26 3.47 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.71 4.27 0.00 1.63 1.61 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.53 7.81 103 P 0.00 4.40 0.00 1.73 1.81 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.54 0.00 104 A 8.59 4.30 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 0.00 105 R 8.21 5.20 0.00 1.80 1.76 0.00 2.71 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 106 A 8.90 4.95 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 0.00 107 C 8.63 5.45 0.00 2.87 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 0.00 108 F 8.47 4.86 0.00 3.07 3.01 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 0.00 109 A 8.55 4.80 1.24 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 0.00 0.00 110 A 8.45 4.49 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 0.00 111 A 8.78 3.99 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 0.00 112 A 7.19 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.78 4.91 0.00 1.84 1.52 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.27 0.00 2.18 1.98 0.00 3.82 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 2.09 2.11 0.00 115 K 9.53 3.86 0.00 2.09 2.04 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.46 7.81 116 G 8.12 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 0.00 117 A 7.95 3.74 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.88 4.38 0.00 1.61 1.64 0.86 0.87 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 0.00 119 V 7.20 4.65 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 0.63 0.00 0.00 0.69 0.00 0.00 120 E 8.93 4.97 0.00 1.99 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 0.00 2.18 2.35 0.00 121 V 8.84 4.82 2.24 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 1.37 0.00 0.00 1.18 0.00 0.00 122 E 8.82 5.38 0.00 2.29 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 2.37 2.30 0.00 123 C 8.19 5.10 0.00 3.38 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 0.00 124 I 8.76 4.86 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.99 0.87 0.00 0.00 125 A 8.89 5.21 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 0.00 126 T 8.32 4.76 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 1.24 0.00 0.00 127 L 8.33 4.28 0.00 1.59 1.57 0.94 0.74 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 * Residues marked with a * may have inaccurate shift predictions.