NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2796 7.9133 120.4615 61.5647 33.5651 173.9231 3 K 5.1644 8.5595 120.7347 54.4579 36.3506 173.4161 4 A 5.3727 9.0958 124.2918 50.9141 23.8766 174.8002 5 V 5.2305 8.8917 117.6116 61.0574 35.4623 173.3116 6 C 5.0216 9.1275 115.6068 56.9705 33.4911 172.7206 7 V 4.7253 8.4316 121.1654 61.4723 33.4300 174.1255 8 L 4.9391 9.1317 128.5343 53.7338 43.3755 175.6736 9 A 4.8953 8.9938 124.0305 51.2431 23.2114 175.8403 10 G 4.3766 8.3676 105.8380 45.2732 0.0000 173.0406 11 S 4.5949 8.7699 115.0325 58.3390 64.3332 174.5378 12 G 4.2583 7.6281 110.9628 45.9454 0.0000 173.5603 13 D 4.7301 8.6903 125.7772 54.1203 41.2199 176.0128 14 V 4.3759 7.5597 120.4318 62.3855 32.3360 175.2268 15 K 4.7462 8.2939 125.5981 56.0492 36.6958 175.0979 16 G 4.0067 7.8333 106.1345 46.5917 0.0000 171.7651 17 V 5.0187 7.8421 118.3167 61.1074 35.3928 174.7673 18 V 4.6791 8.6812 126.3616 61.3882 34.7384 173.6346 19 H 5.4416 9.0712 124.7647 54.0948 31.5445 173.4681 20 F 5.3700 9.3815 120.6514 55.7960 42.8125 173.7601 21 E 5.2141 9.3141 122.3987 54.8406 33.5426 173.7775 22 Q 4.8125 9.0555 126.0819 54.7700 32.5631 173.8210 23 Q 4.6971 8.8238 124.7062 55.3941 31.9579 175.1332 24 D 4.0996 8.4272 121.7006 56.2318 39.8034 175.0181 25 E 4.6969 8.6913 119.3324 56.8716 30.1807 175.8125 25A G 3.9554 7.8537 108.9017 44.1968 0.0000 173.6946 26 A 4.2948 8.3449 120.4921 52.2334 19.3067 177.6058 27 V 4.2952 8.7643 121.3375 62.1830 33.4060 175.0657 28 S 5.1282 8.9818 124.3428 57.5808 64.7557 173.2245 29 V 4.6281 9.1063 124.5775 60.9867 34.3127 173.7481 30 E 4.7283 9.0120 128.9256 54.3385 32.7912 174.6194 31 G 3.9321 7.4329 112.4928 44.7576 0.0000 171.1766 32 K 5.0742 8.6157 120.4157 54.7381 35.7326 174.8508 33 I 5.0581 9.0264 127.9989 59.6326 40.6925 174.4624 34 E 4.8970 9.5796 126.4505 55.2007 32.7131 176.7723 35 G 3.6761 8.9401 109.2093 45.8675 0.0000 173.1910 36 L 4.6389 7.6519 119.2479 52.4520 43.5519 176.5789 37 T 4.3045 8.1702 111.4637 61.3316 69.5162 174.1699 38 D 4.5663 8.3914 123.4150 55.7886 41.8733 175.4593 39 G 3.8157 8.4182 107.1173 43.9301 0.0000 172.4483 40 L 4.8276 8.1846 118.8192 54.8040 42.8793 176.5196 41 H 4.9871 9.1512 119.3002 53.6717 32.9864 173.3524 42 G 3.9595 9.0050 110.7557 46.5508 0.0000 172.3740 43 F 5.3085 9.2482 124.9937 56.7528 42.3956 173.1606 44 H 5.2719 8.6613 122.3330 54.2185 33.9749 172.6040 45 I 4.6727 8.4318 120.8682 60.3644 38.6583 175.1737 46 H 5.1004 9.1973 125.6208 54.5560 30.2928 177.1431 47 V 3.3830 8.5158 121.7709 64.5918 31.4755 176.5594 48 F 4.8983 7.9683 118.8394 54.8753 40.7613 176.4538 49 G 4.2713 8.3803 109.0273 44.5897 0.0000 174.2607 50 D 4.7757 8.0830 119.1461 52.6824 42.1650 174.5705 51 N 5.3824 8.7125 124.1445 52.3564 39.2862 176.5840 52 T 3.9884 8.5813 112.3386 63.8800 69.2605 174.2419 53 N 4.9259 8.3666 121.5248 52.7895 39.9839 174.2739 54 G 3.8748 7.8796 108.3898 46.7068 0.0000 176.2380 55 C 4.4339 8.5893 116.2714 59.3417 40.5836 175.1722 56 M 4.0765 7.6907 119.0811 56.8561 31.5024 177.3724 57 S 4.6012 7.8355 113.3361 58.4915 63.7920 175.0537 58 A 4.3209 7.9519 124.8027 53.9856 18.3082 178.7006 59 G 4.2523 7.7936 106.6283 44.4460 0.0000 172.3741 60 S 4.5899 8.0024 113.2724 57.4827 65.9153 173.0477 61 H 4.6023 8.3555 116.4173 55.7620 29.4356 175.5659 62 F 4.3037 9.0059 125.2529 58.0905 40.1933 175.3580 63 N 4.9091 7.9301 126.5339 51.7052 38.8546 173.3403 64 P 4.2111 0.0000 0.0000 65.2689 31.9892 177.5099 65 E 4.2143 7.8755 116.2461 55.6517 29.9655 175.2539 66 N 4.1035 7.7870 115.3855 54.3538 36.3134 174.0414 67 K 4.4297 8.0898 116.9380 54.9154 34.5160 176.1130 68 N 4.7765 8.5153 117.1436 52.8041 40.1421 174.7410 69 H 4.0852 8.6720 121.5756 56.7644 30.6069 174.9526 70 G 4.1107 7.8638 109.9401 44.9904 0.0000 172.1610 71 A 4.4497 8.8868 122.6510 50.7671 19.2653 177.2876 72 P 4.2583 0.0000 0.0000 65.3755 31.4358 178.1109 73 G 3.8480 7.9345 104.3517 46.0145 0.0000 173.3514 74 D 4.7100 7.6957 120.3465 53.5703 41.8168 176.9169 75 T 3.9737 8.3478 112.0410 63.8994 69.2669 174.4264 76 D 4.6167 7.7826 121.9318 52.4622 39.8720 174.8617 77 R 4.9476 7.4921 118.8774 53.8475 32.9339 175.1799 78 H 4.5170 9.0242 116.5378 55.3073 29.4927 176.7805 79 V 3.4739 8.3116 122.3319 66.0760 31.7824 176.9209 80 G 3.9049 8.2869 105.7271 46.8044 0.0000 173.5885 81 D 5.0214 8.0962 121.9146 53.1887 39.8108 175.9161 82 L 4.3853 8.3649 120.5899 53.4004 42.3420 178.8465 83 G 3.8836 8.3084 107.6526 46.6605 0.0000 172.8826 84 N 5.5287 8.6435 120.5679 51.5044 41.7125 174.2949 85 V 4.2633 8.4545 114.6405 59.9284 34.8839 174.7396 86 T 4.9818 8.2637 118.9894 61.9030 71.0983 173.0711 87 A 4.9975 9.0592 128.9067 50.6541 21.4771 175.6823 88 E 4.6818 9.1456 120.9728 54.1826 34.0045 176.8222 *90 G 3.5211 8.7080 113.0532 45.2835 0.0000 173.8524 91 G 4.3045 8.0530 106.6450 43.4699 0.0000 173.8896 92 V 4.9477 7.7106 119.4460 60.8671 35.0155 173.9614 93 A 5.1660 9.0285 129.2757 49.5167 21.1230 175.0323 94 Q 4.9981 8.8044 123.8790 54.5031 31.5908 174.4594 95 F 5.0534 8.4675 120.4568 55.3201 42.1934 173.7524 96 K 4.9724 8.6657 120.7781 55.1695 34.5501 174.9239 97 I 4.9735 9.2312 121.2131 59.2781 41.4998 174.1970 98 T 5.2642 8.4726 111.7153 60.1488 71.6860 172.7380 99 D 4.8642 9.0248 121.6392 53.2000 44.8507 175.8195 100 S 4.6947 8.9703 119.3766 58.6442 63.9654 174.7161 101 L 4.4125 8.1152 120.0721 56.2033 42.6135 177.2302 102 I 4.0476 7.9963 110.5347 61.0612 38.3098 174.5498 103 S 4.6411 8.1920 113.9768 57.4951 65.2823 173.9338 104 L 4.5101 8.9252 122.2481 54.1374 41.7405 176.5323 105 K 4.5066 7.7606 117.2916 56.5924 35.8326 177.1622 106 G 3.8838 8.6076 108.4330 44.1740 0.0000 171.9956 107 P 4.2820 0.0000 0.0000 65.6931 31.2919 177.0548 108 N 5.0162 8.0626 112.7724 53.0484 38.5426 174.9299 109 S 4.2649 8.0121 114.3134 58.8269 62.9232 174.0648 110 I 3.9132 8.1019 119.5613 60.3674 37.9097 175.5272 111 I 3.5823 7.0605 122.9883 62.8087 37.3798 176.5410 112 G 3.7810 9.0792 113.1056 45.4326 0.0000 172.8916 113 R 4.9342 7.3790 119.1614 54.6014 33.6800 174.4821 114 T 5.0486 8.1799 115.2832 62.0857 71.5844 173.6658 115 A 4.6077 8.6211 128.4331 51.0675 20.6964 176.2077 116 V 4.8548 8.5998 122.2037 60.8518 35.1776 174.4292 117 V 5.0145 8.5299 127.0281 60.5188 33.4115 174.7358 118 H 5.2911 8.9487 122.5120 54.3142 30.1752 174.9954 119 E 4.1853 9.1928 122.7498 59.1186 30.0754 176.8199 120 K 4.7152 8.1369 116.9627 53.7661 36.2907 175.6264 121 A 4.4193 8.2734 123.5699 52.2413 18.8695 176.2626 122 D 4.6224 9.3119 122.6092 53.7541 41.3489 176.1477 123 D 4.5423 9.1517 125.7668 53.3038 39.5431 176.8572 124 L 3.4732 9.7115 119.7349 56.0798 39.5400 176.1125 125 G 4.0540 8.5234 105.3363 45.7924 0.0000 174.8187 126 K 4.4820 7.8880 117.4734 56.0394 32.2017 177.6749 127 G 3.6635 7.5988 108.9349 46.0949 0.0000 175.4084 128 G 3.8866 9.7787 107.6032 45.3283 0.0000 172.2486 129 N 4.9589 7.5464 114.6915 50.1105 40.2587 174.6387 130 D 4.4638 8.6930 118.1272 57.5138 40.6581 178.6865 131 E 3.9498 8.1337 119.3329 59.0742 29.7641 178.6040 132 S 4.1175 8.3246 113.5246 61.2008 62.4416 175.4955 133 L 4.3222 7.7504 119.5558 55.6657 41.1715 178.0642 134 K 4.3121 7.6920 117.1179 57.5681 34.1381 176.8521 135 T 4.1278 7.7873 105.9585 60.1233 70.0532 175.2139 136 G 3.8632 8.1601 110.3043 45.5651 0.0000 173.7499 137 N 4.2965 7.8342 114.7266 54.1070 36.7176 175.7488 138 A 4.0541 7.0240 118.6603 51.8449 19.3574 180.0570 139 G 3.9730 7.4036 104.5840 44.7498 0.0000 173.3031 140 G 3.8786 8.7657 108.1247 46.7380 0.0000 173.0782 141 R 4.7098 8.3193 118.8041 54.4711 30.6265 176.4560 142 L 4.3121 8.8064 125.9617 57.4571 43.0287 177.2464 143 A 4.9217 7.7796 117.8660 51.3692 22.7724 174.0710 144 C 5.5970 8.5619 113.4630 55.8318 42.9103 172.8598 145 G 4.7685 8.1278 103.8524 46.1265 0.0000 172.5618 146 V 4.4267 8.3404 122.0817 62.3153 32.6883 175.4100 147 I 4.2857 8.5530 129.2544 60.7806 38.2514 175.2871 148 G 4.4198 8.8640 113.4449 43.9305 0.0000 171.2511 149 Y 4.8971 8.3682 117.6748 58.1737 38.4373 176.0712 150 S 4.9620 8.8900 116.8006 55.5037 66.7359 172.3085 151 P 4.4385 0.0000 0.0000 63.2475 31.0811 176.1758 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 V 7.91 4.28 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 0.82 0.00 0.00 1.13 0.00 0.00 3 K 8.56 5.16 0.00 2.01 1.78 0.00 1.86 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.57 7.81 4 A 9.10 5.37 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 5 V 8.89 5.23 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 0.71 0.00 0.00 0.88 0.00 0.00 6 C 9.13 5.02 0.00 3.10 3.14 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 7 V 8.43 4.73 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 1.00 0.00 0.00 0.94 0.00 0.00 8 L 9.13 4.94 0.00 1.83 1.62 1.09 0.93 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 9 A 8.99 4.90 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 10 G 8.37 4.38 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 0.00 11 S 8.77 4.59 0.00 3.99 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 12 G 7.63 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 13 D 8.69 4.73 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 14 V 7.56 4.38 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 0.96 0.00 0.00 15 K 8.29 4.75 0.00 1.86 1.85 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 16 G 7.83 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.84 5.02 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 0.81 0.00 0.00 0.92 0.00 0.00 18 V 8.68 4.68 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 0.58 0.00 0.00 1.08 0.00 0.00 19 H 9.07 5.44 0.00 2.92 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.38 5.37 0.00 2.97 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 21 E 9.31 5.21 0.00 2.04 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 2.24 2.29 0.00 22 Q 9.06 4.81 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.37 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 23 Q 8.82 4.70 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.61 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 24 D 8.43 4.10 0.00 2.80 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 25 E 8.69 4.70 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 25A G 7.85 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 26 A 8.34 4.29 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 27 V 8.76 4.30 2.21 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 1.22 0.00 0.00 1.03 0.00 0.00 28 S 8.98 5.13 0.00 3.85 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 29 V 9.11 4.63 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 0.99 0.00 0.00 1.15 0.00 0.00 30 E 9.01 4.73 0.00 1.87 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 2.00 1.99 0.00 31 G 7.43 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 32 K 8.62 5.07 0.00 1.68 1.52 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.36 7.81 33 I 9.03 5.06 1.92 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 1.31 0.81 0.98 0.00 0.00 34 E 9.58 4.90 0.00 1.85 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 2.22 2.22 0.00 35 G 8.94 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 36 L 7.65 4.64 0.00 1.68 1.42 0.84 0.51 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 37 T 8.17 4.30 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 1.24 0.00 0.00 38 D 8.39 4.57 0.00 2.70 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 39 G 8.42 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 40 L 8.18 4.83 0.00 1.50 1.57 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.15 4.99 0.00 3.01 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.00 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 43 F 9.25 5.31 0.00 2.88 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 44 H 8.66 5.27 0.00 3.09 2.96 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.43 4.67 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.04 0.81 0.00 0.00 46 H 9.20 5.10 0.00 3.03 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.52 3.38 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 -0.12 0.00 0.00 0.61 0.00 0.00 48 F 7.97 4.90 0.00 3.07 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 49 G 8.38 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 50 D 8.08 4.78 0.00 2.57 2.77 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 51 N 8.71 5.38 0.00 2.72 2.77 0.00 0.00 7.30 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 52 T 8.58 3.99 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 1.24 0.00 0.00 53 N 8.37 4.93 0.00 2.77 2.75 0.00 0.00 6.98 8.94 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 54 G 7.88 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 55 C 8.59 4.43 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 7.69 4.08 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 57 S 7.84 4.60 0.00 4.04 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 58 A 7.95 4.32 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 59 G 7.79 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 60 S 8.00 4.59 0.00 3.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.36 4.60 0.00 2.82 3.13 0.00 5.73 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 62 F 9.01 4.30 0.00 2.92 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 63 N 7.93 4.91 0.00 2.64 2.46 0.00 0.00 6.92 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 64 P 0.00 4.21 0.00 2.06 1.99 0.00 3.08 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.30 0.00 65 E 7.88 4.21 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 66 N 7.79 4.10 0.00 2.87 2.89 0.00 0.00 6.86 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.09 4.43 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 68 N 8.52 4.78 0.00 2.93 2.69 0.00 0.00 7.10 8.26 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 69 H 8.67 4.09 0.00 3.23 3.26 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.86 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 0.00 0.00 0.00 71 A 8.89 4.45 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 72 P 0.00 4.26 0.00 2.07 2.16 0.00 3.67 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 2.05 2.07 0.00 73 G 7.93 3.85 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 0.00 0.00 0.00 74 D 7.70 4.71 0.00 2.79 2.57 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 0.00 75 T 8.35 3.97 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 1.20 0.00 0.00 76 D 7.78 4.62 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 77 R 7.49 4.95 0.00 1.80 1.86 0.00 2.92 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 78 H 9.02 4.52 0.00 3.45 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.31 3.47 1.71 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 0.79 0.00 0.00 0.69 0.00 0.00 80 G 8.29 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 0.00 0.00 0.00 0.00 81 D 8.10 5.02 0.00 2.64 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 82 L 8.36 4.39 0.00 2.06 1.89 1.15 0.98 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 83 G 8.31 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 0.00 0.00 0.00 84 N 8.64 5.53 0.00 2.57 2.68 0.00 0.00 6.61 7.68 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 85 V 8.45 4.26 1.59 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 -0.73 0.00 0.00 0.69 0.00 0.00 86 T 8.26 4.98 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 87 A 9.06 5.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 4.68 0.00 1.86 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 2.22 2.25 0.00 *90 G 8.71 3.52 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 0.00 0.00 0.00 91 G 8.05 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 4.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 93 A 9.03 5.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 5.00 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 95 F 8.47 5.05 0.00 2.98 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 96 K 8.67 4.97 0.00 1.66 1.68 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.39 7.81 97 I 9.23 4.97 1.95 0.00 0.00 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 1.49 1.01 0.99 0.00 0.00 98 T 8.47 5.26 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 1.24 0.00 0.00 99 D 9.02 4.86 0.00 2.87 2.57 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 0.00 100 S 8.97 4.69 0.00 3.91 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 0.00 101 L 8.12 4.41 0.00 1.78 1.69 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.00 4.05 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 1.49 0.62 1.04 0.00 0.00 103 S 8.19 4.64 0.00 3.86 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 0.00 104 L 8.93 4.51 0.00 1.79 1.67 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.76 4.51 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.42 7.81 106 G 8.61 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 0.00 0.00 0.00 107 P 0.00 4.28 0.00 2.08 2.17 0.00 3.70 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 2.05 2.14 0.00 108 N 8.06 5.02 0.00 2.76 2.92 0.00 0.00 6.83 7.57 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 0.00 109 S 8.01 4.26 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.10 3.91 1.60 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.09 0.88 0.00 0.00 111 I 7.06 3.58 1.62 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.38 0.26 0.00 0.00 112 G 9.08 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 0.00 0.00 0.00 113 R 7.38 4.93 0.00 1.60 1.83 0.00 2.21 0.00 0.00 2.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.00 114 T 8.18 5.05 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 1.27 0.00 0.00 115 A 8.62 4.61 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 0.00 116 V 8.60 4.85 1.92 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 0.67 0.00 0.00 0.73 0.00 0.00 117 V 8.53 5.01 2.31 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 0.80 0.00 0.00 1.00 0.00 0.00 118 H 8.95 5.29 0.00 3.17 3.49 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.19 4.19 0.00 2.02 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 0.00 2.36 2.34 0.00 120 K 8.14 4.72 0.00 1.82 1.68 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.37 7.81 121 A 8.27 4.42 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 0.00 122 D 9.31 4.62 0.00 2.69 2.80 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 0.00 123 D 9.15 4.54 0.00 2.92 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 0.00 124 L 9.71 3.47 0.00 1.86 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.52 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.89 4.48 0.00 1.86 1.81 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.49 7.81 127 G 7.60 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 0.00 128 G 9.78 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 0.00 0.00 0.00 129 N 7.55 4.96 0.00 2.76 2.76 0.00 0.00 6.23 8.06 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 0.00 130 D 8.69 4.46 0.00 2.78 2.75 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 0.00 131 E 8.13 3.95 0.00 2.06 2.06 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 2.36 2.39 0.00 132 S 8.32 4.12 0.00 4.15 4.01 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 0.00 133 L 7.75 4.32 0.00 1.81 1.68 0.91 1.36 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 0.00 134 K 7.69 4.31 0.00 1.78 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.60 7.81 135 T 7.79 4.13 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 1.20 0.00 0.00 136 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 0.00 137 N 7.83 4.30 0.00 3.06 2.88 0.00 0.00 6.91 8.82 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 0.00 138 A 7.02 4.05 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 0.00 139 G 7.40 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.77 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 0.00 0.00 0.00 141 R 8.32 4.71 0.00 1.66 1.81 0.00 3.25 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 142 L 8.81 4.31 0.00 1.74 1.71 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.78 4.92 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 0.00 144 C 8.56 5.60 0.00 3.02 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 0.00 145 G 8.13 4.77 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 0.00 146 V 8.34 4.43 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 0.82 0.00 0.00 0.97 0.00 0.00 147 I 8.55 4.29 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.46 0.00 0.00 148 G 8.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.37 4.90 0.00 2.91 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 0.00 150 S 8.89 4.96 0.00 3.89 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 0.00 151 P 0.00 4.44 0.00 2.22 2.10 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.