NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4437 0.0000 0.0000 62.4034 33.0047 175.6866 6 T 4.1404 8.6084 122.8773 62.8551 69.6504 172.3938 7 K 4.6821 10.4863 128.6846 56.2740 33.7374 176.1685 8 V 4.5534 8.5834 127.6489 59.9817 35.1996 173.6168 *10 V 4.2759 8.1437 118.5294 62.8934 32.7410 174.8016 11 A 4.7474 8.6947 130.8062 51.1768 19.1863 176.7420 12 V 4.4492 8.6474 116.6148 59.6815 35.4089 174.8083 13 N 5.0929 8.3892 119.7553 51.3016 41.3882 172.9605 14 A 4.7848 8.4153 120.4888 50.9897 20.1621 177.2532 15 S 4.4861 8.6530 114.8770 58.2139 63.1098 174.5353 16 T 4.3843 9.0284 116.3397 62.3126 69.6767 175.5960 17 I 4.2142 7.6433 121.4354 62.5534 38.7994 176.5090 18 K 4.0778 8.0388 119.2252 55.5866 32.7840 176.4725 19 D 4.0007 8.5232 122.1069 54.6499 41.5671 175.6702 20 Y 4.7433 6.5868 122.8119 56.2118 39.0247 172.8035 21 P 4.9131 0.0000 0.0000 62.8931 32.4247 175.9561 22 N 4.2079 7.8739 116.5795 53.5265 39.0815 173.6142 23 P 4.7883 0.0000 0.0000 62.0233 32.5029 176.3250 24 S 4.2789 8.7828 114.6553 58.5155 63.5767 175.6568 25 I 3.7311 8.4335 123.1824 64.5322 36.7491 178.9627 26 S 4.1323 8.3792 115.4028 61.7024 62.9776 176.3901 27 C 4.1887 8.4089 118.6604 60.2581 29.3886 175.7886 28 K 4.2300 8.1304 122.2835 59.5519 31.9021 178.4945 29 R 4.0112 8.3409 118.9431 59.5331 29.9675 178.0781 30 A 4.0578 8.3763 120.5314 55.2668 18.4436 179.3051 31 F 4.2041 8.9137 119.3883 61.7616 39.4775 177.2339 32 E 4.0193 9.0749 118.6550 59.0381 29.2626 179.1743 33 W 4.0180 8.9286 128.9477 60.6885 30.7632 178.1308 34 T 3.8429 8.3841 115.7122 66.7154 67.9100 176.5910 35 L 3.7036 7.5836 120.7097 57.5673 41.3350 179.5055 36 E 3.7418 7.9988 117.6955 59.2321 29.5611 178.9049 37 K 3.8871 7.4991 116.2290 57.2578 32.6039 178.2418 38 I 3.9267 6.7230 117.9513 63.2027 38.4382 177.7650 39 V 2.8615 7.3837 118.8371 65.5539 31.6223 176.2777 40 R 3.5624 7.9448 118.2578 57.6626 28.9548 177.5683 41 S 4.3825 8.5947 117.2348 60.3841 64.4502 174.9749 42 N 4.7612 7.9241 122.2470 52.6145 36.7065 175.9613 43 T 4.1870 7.6425 108.4471 63.7006 69.8835 176.6205 44 S 4.4484 7.9723 116.6515 59.6725 63.5773 174.3007 45 D 4.4914 8.0466 119.5551 54.7893 41.0908 175.6987 46 F 5.3848 7.7288 116.5492 55.5521 43.5506 173.9785 47 K 4.7916 9.3142 122.2202 54.9546 35.5071 174.8793 48 I 4.7384 8.8496 128.7347 60.2868 38.9521 174.7106 49 L 5.1531 9.3457 128.6570 53.2375 43.2937 176.0134 50 L 4.4610 9.3339 126.2601 53.1493 43.3456 175.6354 51 L 4.1597 8.2313 126.5962 53.0145 44.7802 174.2827 52 H 5.2376 8.3555 125.9738 53.5025 32.4146 172.6721 53 V 4.4822 8.0457 125.5589 61.4785 32.7321 174.5061 54 Q 4.4115 8.8036 130.0224 55.0515 30.3102 176.2891 55 V 3.8568 8.3791 124.0800 64.1070 32.2181 176.3516 *66 S 4.1300 7.6206 114.0568 58.7242 62.8308 171.3384 67 I 4.4751 7.4071 122.7111 59.1841 39.3849 174.7916 68 Y 4.2678 8.6954 121.9177 56.2108 39.6831 175.2915 69 A 4.7484 9.0246 127.1838 51.8128 20.9003 175.7508 70 S 4.7407 7.6703 108.5677 56.3865 65.6883 174.0069 71 P 4.5617 0.0000 0.0000 66.0517 31.6222 178.5279 72 E 4.0517 8.4708 117.3605 59.7813 29.0342 179.0317 73 D 4.3583 7.8485 117.6525 57.0361 40.8339 178.2930 74 F 4.5064 8.0287 117.5675 59.7796 38.8362 177.9610 75 R 4.2073 8.0959 117.5666 59.3332 29.7349 178.7751 76 D 4.3448 7.6425 114.2236 55.6120 41.3020 177.6837 *78 R 4.2511 7.8822 119.5661 55.6760 31.7116 175.0605 79 Q 4.3173 7.7209 114.4445 54.5208 31.2411 174.8865 *85 G 3.9941 8.6609 112.2721 45.5221 0.0000 174.2278 86 L 4.0336 7.8840 119.9449 57.9358 41.8034 179.2437 87 H 4.2874 8.4702 118.0247 59.0805 28.1668 178.4864 88 L 4.1086 7.8879 124.0393 59.4231 40.8569 182.7749 89 L 4.3480 7.9144 120.3668 57.7736 41.6036 179.2975 90 E 3.9252 8.5727 119.3949 59.0845 29.6087 178.4223 91 F 3.9255 8.0970 120.2955 61.5699 39.3378 177.2652 92 F 3.6030 7.9310 115.8812 60.0437 38.6057 178.0819 93 V 3.6817 8.1439 118.2727 66.0349 31.2409 177.8927 94 N 4.2940 8.2478 116.3349 56.1588 38.1542 177.4756 95 K 3.8543 7.5794 119.4709 59.6700 32.1393 179.2354 96 C 4.3471 8.4708 117.0529 63.1200 27.9733 175.5969 97 H 4.1582 8.6311 120.1918 59.2434 29.1731 177.1315 98 E 4.0205 8.3387 120.0891 58.7390 29.4395 178.4101 99 I 4.3082 7.3185 108.3751 60.1930 38.1823 176.2081 100 G 3.7907 7.6005 108.4969 46.0745 0.0000 173.2795 101 V 4.0573 7.7153 119.7157 61.2697 32.3933 176.3121 102 G 4.0299 8.7725 115.3484 46.9759 0.0000 171.8416 103 C 5.5411 8.5062 116.7217 56.9721 33.1197 172.8732 104 E 5.0209 9.4639 118.6349 54.6854 33.1073 174.8129 105 A 5.4447 8.7582 124.2306 50.3233 22.5903 174.7960 106 W 5.0337 8.5429 116.8664 56.0336 32.2300 172.9920 107 I 4.9969 8.5879 120.1773 59.5275 39.4100 175.4001 108 K 4.8771 8.6846 123.8116 55.0470 36.4268 175.1192 109 T 4.8508 8.8198 117.6522 62.8386 71.0090 174.0365 110 G 3.6293 7.8132 109.4548 44.4556 0.0000 173.0168 111 D 4.3519 8.7112 120.6950 53.2870 41.9875 175.5618 112 P 4.1556 0.0000 0.0000 65.8160 31.2726 178.6033 113 K 3.9402 7.7398 116.7200 59.9360 32.3760 178.5251 114 D 4.3360 7.4518 119.0410 56.9556 41.1956 178.4178 115 V 3.9872 8.1143 120.4730 65.5706 31.5009 177.7722 116 I 3.7036 8.0913 120.0248 64.8913 37.0968 178.1932 117 C 4.2323 7.9619 117.2101 62.8925 27.8470 176.0676 118 Q 4.0701 8.4907 120.0144 59.2483 28.3316 178.9904 119 E 4.1233 8.9042 119.8227 59.1530 29.3874 179.4798 120 V 3.6496 8.1256 118.6077 66.2020 31.4192 178.3513 121 K 3.9833 7.8216 116.3167 59.0757 31.8553 179.0169 122 R 4.1111 7.6100 117.8422 58.9671 30.3496 177.9913 123 V 3.8667 8.2723 116.2286 62.2857 33.1854 175.6707 124 R 3.8647 8.0626 116.8234 56.5869 27.5844 173.8483 125 P 4.6133 0.0000 0.0000 62.4104 32.8649 177.0993 126 D 4.8061 8.8392 120.2538 57.3839 41.3628 176.4636 127 F 5.2186 8.0000 111.1564 55.7220 42.0242 172.7423 128 L 4.6812 9.2605 121.6643 53.2221 44.7073 174.9055 129 V 4.7413 8.2918 125.5997 61.3738 33.7101 174.5734 130 V 4.6840 8.3115 120.2686 59.3908 35.6587 175.8229 131 G 4.5455 8.6084 111.2398 46.7383 0.0000 172.4882 132 S 4.7330 8.1025 112.4485 57.4330 65.2148 175.3267 133 R 4.0393 8.9837 125.5952 56.6692 30.4960 176.3050 134 G 3.8040 7.5847 105.8755 46.7462 0.0000 173.8888 135 L 4.3327 7.8900 115.3103 53.6931 41.0669 176.9643 136 G 3.7231 7.1194 114.8620 46.4268 0.0000 175.5044 *145 T 4.2384 6.9810 108.8797 60.7904 71.1996 176.6078 146 V 3.5732 8.2399 119.3250 65.4824 32.5474 177.5827 147 S 4.1854 8.0684 113.3615 61.3856 63.0755 176.0358 148 A 4.0504 8.0095 123.9540 54.5992 18.1662 179.2338 149 F 3.9802 8.2119 118.9768 61.5659 39.5412 177.1156 150 C 4.1867 8.3835 116.3361 63.0047 27.7847 176.1370 151 V 3.6200 7.4874 118.2698 66.0112 31.0673 177.6997 152 K 3.9454 7.7117 117.9570 59.1308 32.1336 177.1168 153 H 4.5960 7.7321 113.6360 56.0469 30.8305 174.9374 154 A 4.1323 8.0632 121.9643 52.9031 18.5544 176.9272 155 E 4.6567 8.5222 120.6772 55.9346 30.2703 175.7163 156 C 4.8399 7.7935 110.8182 56.2201 32.7689 171.7674 157 P 4.2913 0.0000 0.0000 63.9123 32.0106 175.7085 158 V 5.4061 8.2160 122.8242 60.6705 34.8443 173.6290 *160 T 4.3113 8.4191 108.5626 61.9730 69.9185 173.3123 161 I 4.2035 8.4327 126.9901 59.2400 39.6820 175.2900 162 K 4.9749 8.2515 125.9002 54.0815 33.9725 176.8537 163 R 4.1914 8.3389 120.7674 55.7066 31.0996 176.7328 164 N 4.4782 9.1518 118.0049 53.1556 39.2603 176.4741 165 A 4.0494 8.6642 124.0852 55.3195 18.6151 179.4010 166 D 4.5283 8.0831 113.5323 54.8359 39.8826 176.5434 167 E 4.5560 7.8221 115.9152 56.0906 30.2570 175.8112 168 T 4.1915 7.5536 117.9438 62.4913 68.9737 173.1627 169 P 4.5169 0.0000 0.0000 61.8937 32.1521 176.5625 170 S 4.0805 8.6862 115.2900 60.8091 63.0578 173.8714 171 D 4.7115 7.8274 120.9252 51.6049 41.1237 174.7963 172 P 4.2840 0.0000 0.0000 65.2857 31.6044 178.0426 173 A 4.1202 8.2985 120.8498 54.7077 18.4975 177.8412 174 D 4.5623 7.7683 115.8363 54.3347 41.6889 176.0164 175 D 4.3323 8.4709 120.8534 54.5230 41.5883 174.8701 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 5 P 0.00 4.44 0.00 1.94 2.02 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 6 T 8.61 4.14 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 1.66 0.00 0.00 7 K 10.49 4.68 0.00 1.69 1.80 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.42 7.81 8 V 8.58 4.55 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 0.39 0.00 0.00 0.93 0.00 0.00 *10 V 8.14 4.28 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 0.94 0.00 0.00 0.97 0.00 0.00 11 A 8.69 4.75 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 12 V 8.65 4.45 1.51 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 -0.20 0.00 0.00 0.60 0.00 0.00 13 N 8.39 5.09 0.00 2.72 2.88 0.00 0.00 6.07 7.24 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 14 A 8.42 4.78 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 15 S 8.65 4.49 0.00 3.99 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 16 T 9.03 4.38 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 17 I 7.64 4.21 1.85 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 1.41 0.77 0.89 0.00 0.00 18 K 8.04 4.08 0.00 1.67 1.66 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.33 7.81 19 D 8.52 4.00 0.00 2.48 2.41 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 20 Y 6.59 4.74 0.00 3.12 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 21 P 0.00 4.91 0.00 2.25 2.25 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 22 N 7.87 4.21 0.00 2.81 2.62 0.00 0.00 6.83 7.49 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 23 P 0.00 4.79 0.00 2.22 2.01 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.64 0.00 24 S 8.78 4.28 0.00 4.13 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 0.00 25 I 8.43 3.73 1.88 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 1.68 0.58 1.01 0.00 0.00 26 S 8.38 4.13 0.00 4.16 4.17 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 27 C 8.41 4.19 0.00 3.29 3.23 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 0.00 28 K 8.13 4.23 0.00 2.05 2.13 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.56 7.81 29 R 8.34 4.01 0.00 2.17 2.19 0.00 3.32 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 30 A 8.38 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.91 4.20 0.00 3.27 3.61 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 32 E 9.07 4.02 0.00 2.28 2.26 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 2.63 2.89 0.00 33 W 8.93 4.02 0.00 3.51 3.46 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 34 T 8.38 3.84 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 35 L 7.58 3.70 0.00 1.59 1.50 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.00 3.74 0.00 1.74 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 2.26 2.41 0.00 37 K 7.50 3.89 0.00 0.79 1.19 0.00 1.47 0.00 0.00 1.40 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.35 0.61 7.81 38 I 6.72 3.93 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.63 0.00 0.00 39 V 7.38 2.86 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 1.01 0.00 0.00 0.53 0.00 0.00 40 R 7.94 3.56 0.00 1.93 1.67 0.00 3.23 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 41 S 8.59 4.38 0.00 3.97 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 42 N 7.92 4.76 0.00 3.10 3.06 0.00 0.00 6.67 7.04 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 43 T 7.64 4.19 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 1.33 0.00 0.00 44 S 7.97 4.45 0.00 3.89 3.95 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 45 D 8.05 4.49 0.00 2.82 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 0.00 0.00 0.00 0.00 46 F 7.73 5.38 0.00 2.87 2.92 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 47 K 9.31 4.79 0.00 1.81 1.66 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 48 I 8.85 4.74 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 1.08 0.00 0.00 49 L 9.35 5.15 0.00 1.57 2.02 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.33 4.46 0.00 1.48 1.37 1.03 0.09 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 51 L 8.23 4.16 0.00 0.87 1.09 0.44 0.52 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 52 H 8.36 5.24 0.00 3.23 3.03 0.00 5.86 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.05 4.48 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 0.84 0.00 0.00 0.84 0.00 0.00 54 Q 8.80 4.41 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 55 V 8.38 3.86 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 0.84 0.00 0.00 0.89 0.00 0.00 *66 S 7.62 4.13 0.00 4.11 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 67 I 7.41 4.48 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.90 0.00 0.00 68 Y 8.70 4.27 0.00 2.85 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.02 4.75 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 70 S 7.67 4.74 0.00 4.01 3.95 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 71 P 0.00 4.56 0.00 2.27 2.23 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 72 E 8.47 4.05 0.00 2.03 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 2.43 2.45 0.00 73 D 7.85 4.36 0.00 2.71 2.46 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 74 F 8.03 4.51 0.00 3.28 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 75 R 8.10 4.21 0.00 2.14 2.02 0.00 3.20 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 76 D 7.64 4.34 0.00 2.85 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 *78 R 7.88 4.25 0.00 1.99 2.11 0.00 3.21 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 79 Q 7.72 4.32 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.31 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 *85 G 8.66 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 86 L 7.88 4.03 0.00 1.81 1.80 0.97 1.18 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 87 H 8.47 4.29 0.00 3.18 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.89 4.11 0.00 1.65 1.67 0.92 0.57 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 89 L 7.91 4.35 0.00 2.02 1.82 0.92 0.89 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 90 E 8.57 3.93 0.00 2.03 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 2.29 2.32 0.00 91 F 8.10 3.93 0.00 3.03 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 92 F 7.93 3.60 0.00 3.23 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 93 V 8.14 3.68 2.12 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 1.17 0.00 0.00 1.06 0.00 0.00 94 N 8.25 4.29 0.00 2.89 2.72 0.00 0.00 7.01 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 95 K 7.58 3.85 0.00 1.95 2.10 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.50 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.60 1.03 7.81 96 C 8.47 4.35 0.00 3.24 3.32 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 97 H 8.63 4.16 0.00 3.36 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.34 4.02 0.00 2.22 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 2.34 2.36 0.00 99 I 7.32 4.31 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.59 0.90 0.00 0.00 100 G 7.60 3.79 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 0.00 0.00 0.00 101 V 7.72 4.06 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 0.92 0.00 0.00 0.93 0.00 0.00 102 G 8.77 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 0.00 103 C 8.51 5.54 0.00 3.15 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 0.00 104 E 9.46 5.02 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 105 A 8.76 5.44 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 0.00 106 W 8.54 5.03 0.00 3.43 3.30 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 0.00 107 I 8.59 5.00 1.94 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 1.41 0.72 0.98 0.00 0.00 108 K 8.68 4.88 0.00 1.71 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.71 2.09 7.81 109 T 8.82 4.85 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 0.00 110 G 7.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.71 4.35 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.16 0.00 2.11 2.04 0.00 3.56 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 113 K 7.74 3.94 0.00 1.61 1.82 0.00 0.81 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 0.21 7.81 114 D 7.45 4.34 0.00 2.64 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 0.00 115 V 8.11 3.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.12 0.00 0.00 116 I 8.09 3.70 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.93 0.00 0.00 117 C 7.96 4.23 0.00 3.27 3.09 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 0.00 118 Q 8.49 4.07 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 119 E 8.90 4.12 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 120 V 8.13 3.65 2.32 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 1.16 0.00 0.00 1.06 0.00 0.00 121 K 7.82 3.98 0.00 2.04 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.74 7.81 122 R 7.61 4.11 0.00 2.03 2.09 0.00 3.23 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 123 V 8.27 3.87 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 124 R 8.06 3.86 0.00 1.98 1.96 0.00 3.41 0.00 0.00 3.46 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 125 P 0.00 4.61 0.00 2.37 2.11 0.00 3.95 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 2.05 2.05 0.00 126 D 8.84 4.81 0.00 2.96 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 0.00 127 F 8.00 5.22 0.00 3.29 3.06 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 0.00 128 L 9.26 4.68 0.00 1.78 1.60 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.29 4.74 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 1.12 0.00 0.00 1.02 0.00 0.00 130 V 8.31 4.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 131 G 8.61 4.55 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 0.00 132 S 8.10 4.73 0.00 3.85 3.62 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 0.00 133 R 8.98 4.04 0.00 1.84 2.10 0.00 3.54 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 134 G 7.58 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 0.00 0.00 0.00 135 L 7.89 4.33 0.00 1.65 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.12 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 T 6.98 4.24 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 1.21 0.00 0.00 146 V 8.24 3.57 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 1.09 0.00 0.00 0.89 0.00 0.00 147 S 8.07 4.19 0.00 4.10 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 0.00 148 A 8.01 4.05 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 0.00 149 F 8.21 3.98 0.00 3.38 3.30 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 0.00 150 C 8.38 4.19 0.00 3.26 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 0.00 151 V 7.49 3.62 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 0.77 0.00 0.00 0.98 0.00 0.00 152 K 7.71 3.95 0.00 1.85 1.43 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 1.30 7.81 153 H 7.73 4.60 0.00 2.80 3.08 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.06 4.13 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 0.00 155 E 8.52 4.66 0.00 2.00 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 2.28 2.31 0.00 156 C 7.79 4.84 0.00 3.02 2.92 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 0.00 157 P 0.00 4.29 0.00 2.21 2.05 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 158 V 8.22 5.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.08 0.00 0.00 *160 T 8.42 4.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 161 I 8.43 4.20 1.75 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 0.37 0.93 0.59 0.00 0.00 162 K 8.25 4.97 0.00 1.56 1.68 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.23 7.81 163 R 8.34 4.19 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 164 N 9.15 4.48 0.00 2.98 2.89 0.00 0.00 7.12 8.39 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 0.00 165 A 8.66 4.05 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 0.00 166 D 8.08 4.53 0.00 2.79 2.82 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 0.00 167 E 7.82 4.56 0.00 2.08 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 2.37 2.25 0.00 168 T 7.55 4.19 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 1.21 0.00 0.00 169 P 0.00 4.52 0.00 2.22 1.97 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 170 S 8.69 4.08 0.00 3.97 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 0.00 171 D 7.83 4.71 0.00 2.68 2.73 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 0.00 0.00 0.00 172 P 0.00 4.28 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 173 A 8.30 4.12 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 0.00 174 D 7.77 4.56 0.00 2.83 2.61 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 0.00 175 D 8.47 4.33 0.00 2.72 2.41 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 * Residues marked with a * may have inaccurate shift predictions.