NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7473 8.3544 109.7366 45.6801 0.0000 176.0606 *2 T 4.1736 8.7124 119.2119 61.9892 68.5338 170.8747 3 A 4.6977 7.7338 119.8828 50.7470 23.0177 175.8857 4 V 4.7725 8.3242 119.3904 61.1014 34.5306 174.5767 5 F 4.8778 9.1213 130.6116 57.6173 40.6350 174.2902 6 R 5.7265 8.0120 125.2149 54.4864 33.5088 173.2338 7 N 4.9271 8.3123 121.4225 52.5031 40.7582 172.5175 8 T 5.0949 8.2973 108.2225 60.0316 72.2151 173.8215 9 V 4.4722 8.4255 121.3247 60.0942 35.0221 173.7124 10 L 4.6515 8.5269 126.6809 54.5387 43.1604 175.9928 11 V 4.0108 8.9446 127.3388 62.7115 32.5231 175.4759 12 R 4.9927 8.7557 126.1684 53.8281 33.1703 176.5536 13 F 4.0324 8.9328 121.4242 61.3963 39.2862 177.5132 14 K 4.1164 8.0656 117.9349 59.5618 32.6773 177.4138 15 H 4.5587 8.3035 116.7533 57.0077 29.1800 174.6128 16 C 5.0790 7.4067 116.6645 57.8139 29.9306 172.6206 17 D 4.8537 8.2884 122.0102 51.2025 41.5942 176.2186 18 A 4.0300 8.2697 119.9991 53.9929 18.4048 178.1566 19 A 4.1476 8.2727 118.0647 52.2378 19.0254 178.4272 20 G 3.8504 8.2445 104.0619 45.4447 0.0000 172.7706 21 I 4.8232 7.3426 112.5249 58.2866 41.7833 174.1076 22 V 3.9247 8.1246 122.4077 63.1004 31.8252 175.3573 23 F 4.9194 9.3385 131.2304 57.0717 40.0644 175.7270 24 Y 4.1450 8.6364 125.2457 59.9864 37.6299 176.8330 25 P 4.3452 0.0000 0.0000 65.3060 30.8155 178.6926 26 R 3.9979 7.8857 117.2525 59.2343 29.6587 178.4826 27 Y 4.3239 7.4444 115.8970 61.2153 38.0371 178.4740 28 F 4.7562 7.7418 118.1484 60.1506 39.0167 177.4674 29 E 4.4794 7.9404 116.6582 56.4664 29.4139 178.7970 *31 L 4.6412 7.8902 122.0168 55.3877 44.1062 178.1530 32 N 4.5039 8.5904 116.5483 56.9104 38.7637 176.4229 33 D 4.5662 8.4342 120.3337 57.4102 40.8123 178.6743 34 F 4.5203 8.2642 120.6532 61.4710 39.4778 177.1202 35 I 3.8070 8.1580 119.5630 64.2927 36.9381 177.8977 36 E 2.6802 8.3044 120.3041 59.0326 29.2815 178.6049 37 D 4.3782 8.1401 118.8267 57.0885 40.8648 178.4377 38 W 2.8228 8.0750 129.0018 60.1829 30.4524 177.8898 39 F 3.3511 8.3576 117.3925 60.3264 38.1307 177.6511 40 A 3.9994 7.8529 119.0346 54.9353 18.3680 178.9128 41 Q 4.3613 8.2718 114.4629 56.5101 29.7861 176.5628 42 A 4.5447 7.7986 121.5023 52.7203 20.5708 177.2264 43 L 4.0619 7.2070 112.2629 53.6897 42.4106 175.6852 44 D 4.4301 8.0075 116.6955 54.8153 39.8291 173.7543 45 W 5.5530 8.3115 124.0895 54.6856 30.9043 172.3622 46 P 4.5917 0.0000 0.0000 62.1964 32.0070 178.4769 47 F 4.1136 8.8513 118.9055 60.6696 39.5006 176.7322 48 D 4.4607 8.3824 119.7965 56.4692 39.3996 178.5547 49 A 4.3284 7.7343 120.6613 52.7768 17.5746 178.5913 *51 H 4.8147 7.6451 116.3577 56.7736 32.6852 174.4438 52 G 3.6484 8.1269 108.2558 46.1125 0.0000 175.8935 53 A 4.0351 9.5300 124.6741 55.0969 18.9892 180.7159 54 G 3.8048 8.3729 104.0685 46.9345 0.0000 173.3851 55 Q 3.2578 7.9700 118.0687 56.8139 26.9856 172.7956 56 A 5.1620 7.4278 117.4065 50.8324 22.9564 175.0689 57 G 3.6590 8.2335 105.4021 44.9830 0.0000 173.2812 58 V 5.1544 7.4160 110.0677 58.0718 30.6672 174.4019 59 P 4.4142 0.0000 0.0000 63.1225 33.2827 177.2196 60 T 4.4945 8.3101 117.8121 63.3758 68.6958 174.5101 61 A 4.4057 9.0177 128.6982 53.7719 20.1553 177.0567 62 D 4.8382 7.7631 112.6321 52.7853 45.8625 174.7012 63 L 5.1467 8.3839 119.6602 53.2494 45.3683 175.4630 64 H 4.8653 9.3733 122.6651 54.4223 33.0594 171.4369 65 C 4.8876 8.4567 125.1941 57.3732 34.2551 172.5900 66 R 4.2925 8.4808 127.1681 54.6876 31.4769 174.8253 67 F 4.5473 8.6421 126.2791 56.7999 39.0944 175.7526 68 V 4.0719 8.8821 125.0215 64.7474 32.1241 176.0959 69 A 4.6777 7.6100 119.6692 49.9951 21.8737 173.6249 70 P 4.8048 0.0000 0.0000 62.8266 32.8718 175.5201 71 S 5.1556 8.4569 115.4264 56.9784 66.9623 173.5237 72 R 4.9913 9.0905 120.1356 53.7232 34.5694 174.7471 73 L 3.9758 8.5905 122.2691 57.3586 42.1823 177.7073 74 G 4.0326 9.0440 114.7115 45.1167 0.0000 173.4464 75 E 4.2712 8.0141 119.7976 56.5750 30.9417 175.8455 76 T 4.8901 8.3896 119.4727 62.2691 70.0265 174.1256 77 L 4.7016 9.0394 126.8084 53.5299 44.7724 175.4706 78 T 4.7189 8.2009 118.2135 62.0780 71.0126 173.5700 79 R 4.5426 8.5626 125.3251 54.1851 32.6197 174.9908 80 E 5.4426 9.0437 122.6128 54.4576 33.6540 174.4735 81 L 5.2438 9.5190 125.7409 53.3859 45.1743 175.2977 82 R 4.9852 8.8514 123.8289 54.3983 34.7747 174.2457 83 V 4.4579 8.7166 122.8027 62.2625 32.6537 176.6598 84 V 3.8335 8.9734 128.9742 65.1958 32.2361 176.0860 85 K 4.7383 7.8173 119.9434 54.9854 35.8890 174.5086 86 L 5.0854 8.6361 127.5171 53.5312 44.8380 175.4081 87 G 4.3990 8.7434 119.0550 44.9970 0.0000 172.7011 88 Q 4.2398 8.7589 116.6578 57.8231 29.7578 177.0330 89 S 4.6611 8.1250 110.9420 59.4390 65.1820 174.2269 90 S 5.2318 8.0905 113.7510 57.6929 64.2120 172.8506 91 F 5.4994 8.8193 119.1771 55.9617 41.6961 172.9966 92 T 5.1507 9.4124 118.2915 62.0079 71.3396 173.5860 93 V 4.9058 8.9216 119.2645 59.4817 35.8475 174.2618 94 Q 5.0492 9.1263 124.2740 54.3916 31.6119 174.2615 95 V 5.0599 9.1783 126.6233 61.2178 34.5796 174.1739 96 R 5.1681 9.0386 126.3760 54.6059 33.0648 175.3657 97 F 5.6976 8.4677 121.5741 55.0728 42.7802 174.8652 *99 G 3.9299 8.2055 108.2653 44.7610 0.0000 171.8071 100 P 4.2830 0.0000 0.0000 64.9616 31.4272 176.7741 101 D 4.7498 7.9830 117.5161 54.2194 40.9740 176.8554 102 S 3.9848 8.2741 113.0991 58.8458 60.8297 170.7672 103 G 3.7014 7.8435 109.8116 44.9158 0.0000 173.7342 104 L 4.0983 8.4536 126.4422 55.2248 43.1014 176.0530 105 R 4.7237 9.3267 125.1901 57.6086 32.2116 176.1671 106 L 4.6994 7.3072 116.5156 54.3685 43.9590 173.8911 107 E 5.0393 8.8086 121.3743 54.3974 32.9766 174.5222 108 V 4.8212 8.9471 126.6483 60.1666 34.6509 174.4381 109 T 5.0179 8.9411 121.8918 61.8540 70.7704 173.2777 110 Q 4.8821 9.3067 127.7293 54.2901 32.8297 173.3675 111 R 4.9040 8.8622 126.8811 54.6313 32.2795 174.7184 112 L 5.0444 8.5041 125.8875 52.7869 45.5622 175.5134 113 V 4.8069 8.3533 120.5067 61.1793 35.1121 174.0681 114 C 4.9011 9.2542 128.7685 59.5114 32.6854 172.6781 115 V 5.0231 8.9571 118.8147 59.4010 36.1519 174.5198 116 D 5.0695 9.4137 123.4360 54.7555 41.8935 177.1940 117 T 4.3274 9.2325 115.0021 62.2127 70.2046 174.6914 118 D 5.0088 7.8554 122.5170 51.8843 40.2630 179.5587 119 K 5.1864 7.3939 124.1424 50.8544 35.6957 176.7340 120 I 4.2143 8.0556 114.5169 62.9195 37.2786 175.5055 121 A 4.3828 8.2062 122.2163 50.4637 21.9475 173.8190 122 P 4.9445 0.0000 0.0000 63.2147 32.1625 175.7117 123 R 4.7850 8.6444 117.9593 54.1364 32.8890 172.9377 124 P 4.7191 0.0000 0.0000 62.1824 32.0645 176.6756 125 L 4.2605 8.7219 123.6675 54.0902 42.5352 175.6933 126 P 4.1088 0.0000 0.0000 62.6950 32.2386 177.0421 127 D 4.3138 8.8009 122.3092 57.4367 40.6881 177.7785 128 P 4.1789 0.0000 0.0000 65.2679 31.0512 178.9648 129 V 3.3195 7.2946 115.9844 65.9107 31.6507 177.5574 130 R 3.9078 7.6537 117.0862 59.4754 29.9369 178.1741 131 Q 4.1454 7.9067 116.7359 58.6210 28.8561 179.6910 132 A 4.0709 7.9829 120.4492 52.3191 18.5261 179.0776 *134 A 4.3171 8.0949 126.3309 53.9686 20.6440 180.0943 135 T 3.9445 7.7796 105.7074 64.1945 69.0841 175.3328 136 Y 4.7132 7.9351 117.9157 56.9809 38.6104 175.3155 137 V 4.0368 7.5329 121.1181 63.0055 32.0909 174.8581 138 D 4.7718 9.1343 127.7397 52.3474 40.8457 176.3284 139 E 4.0280 8.7678 127.5570 59.4719 29.6579 179.0917 140 T 4.0430 8.0146 107.8118 63.5926 68.8997 175.0719 141 L 4.2734 7.7675 120.9399 55.3578 42.4729 176.4328 142 A 4.1872 8.1567 125.6855 52.7026 18.1577 177.0620 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.35 3.75 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 0.00 0.00 0.00 *2 T 8.71 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 A 7.73 4.70 0.61 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 4 V 8.32 4.77 2.16 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 0.95 0.00 0.00 0.99 0.00 0.00 5 F 9.12 4.88 0.00 3.08 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 6 R 8.01 5.73 0.00 1.80 1.64 0.00 3.08 0.00 0.00 3.91 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 7 N 8.31 4.93 0.00 2.79 2.76 0.00 0.00 5.75 7.22 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 8 T 8.30 5.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 9 V 8.43 4.47 1.98 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 0.51 0.00 0.00 0.94 0.00 0.00 10 L 8.53 4.65 0.00 1.67 1.63 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.94 4.01 2.29 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 0.99 0.00 0.00 1.01 0.00 0.00 12 R 8.76 4.99 0.00 1.74 1.80 0.00 3.19 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 13 F 8.93 4.03 0.00 3.03 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 14 K 8.07 4.12 0.00 1.91 1.97 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.27 7.81 15 H 8.30 4.56 0.00 3.33 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.41 5.08 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.85 0.00 2.60 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 0.00 0.00 0.00 0.00 18 A 8.27 4.03 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 19 A 8.27 4.15 1.33 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 0.00 0.00 20 G 8.24 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 21 I 7.34 4.82 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.92 0.00 0.00 22 V 8.12 3.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.73 0.00 0.00 23 F 9.34 4.92 0.00 3.00 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 24 Y 8.64 4.15 0.00 3.01 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 25 P 0.00 4.35 0.00 1.70 1.89 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.03 0.00 26 R 7.89 4.00 0.00 1.73 1.99 0.00 3.39 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 27 Y 7.44 4.32 0.00 2.78 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 28 F 7.74 4.76 0.00 3.34 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 29 E 7.94 4.48 0.00 2.30 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 2.41 2.55 0.00 *31 L 7.89 4.64 0.00 2.11 2.21 1.22 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.59 4.50 0.00 3.12 2.94 0.00 0.00 7.29 8.02 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 33 D 8.43 4.57 0.00 2.87 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 34 F 8.26 4.52 0.00 3.07 3.39 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 35 I 8.16 3.81 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.94 1.45 0.00 0.00 36 E 8.30 2.68 0.00 1.55 1.89 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 1.99 1.47 0.00 37 D 8.14 4.38 0.00 3.19 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 38 W 8.07 2.82 0.00 2.40 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.36 3.35 0.00 3.30 3.39 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 40 A 7.85 4.00 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 41 Q 8.27 4.36 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 42 A 7.80 4.54 1.07 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 43 L 7.21 4.06 0.00 1.14 1.15 -1.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.01 4.43 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 W 8.31 5.55 0.00 3.12 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 46 P 0.00 4.59 0.00 2.49 2.22 0.00 3.96 0.00 0.00 3.83 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 47 F 8.85 4.11 0.00 2.84 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 48 D 8.38 4.46 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 49 A 7.73 4.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 H 7.65 4.81 0.00 3.15 3.32 0.00 5.94 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 52 G 8.13 3.65 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 0.00 0.00 0.00 53 A 9.53 4.04 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 54 G 8.37 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 55 Q 7.97 3.26 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 56 A 7.43 5.16 1.33 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 0.00 0.00 57 G 8.23 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.42 5.15 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 1.03 0.00 0.00 0.51 0.00 0.00 59 P 0.00 4.41 0.00 2.06 2.12 0.00 3.95 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 2.03 1.96 0.00 60 T 8.31 4.49 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 61 A 9.02 4.41 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 62 D 7.76 4.84 0.00 2.51 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 63 L 8.38 5.15 0.00 1.34 1.40 0.42 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 H 9.37 4.87 0.00 3.10 3.08 0.00 5.52 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 65 C 8.46 4.89 0.00 2.94 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 66 R 8.48 4.29 0.00 1.82 1.75 0.00 3.12 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 67 F 8.64 4.55 0.00 2.88 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 68 V 8.88 4.07 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 0.76 0.00 0.00 0.88 0.00 0.00 69 A 7.61 4.68 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 P 0.00 4.80 0.00 2.13 2.11 0.00 3.74 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 2.02 2.02 0.00 71 S 8.46 5.16 0.00 3.76 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 72 R 9.09 4.99 0.00 1.72 1.77 0.00 3.17 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 73 L 8.59 3.98 0.00 1.58 1.64 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.04 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 75 E 8.01 4.27 0.00 2.07 1.90 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 2.34 2.46 0.00 76 T 8.39 4.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 77 L 9.04 4.70 0.00 1.42 1.50 1.20 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.20 4.72 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 1.15 0.00 0.00 79 R 8.56 4.54 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 80 E 9.04 5.44 0.00 1.90 1.86 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 2.21 2.18 0.00 81 L 9.52 5.24 0.00 1.54 1.15 -0.12 -0.56 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 82 R 8.85 4.99 0.00 1.77 1.79 0.00 3.19 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 83 V 8.72 4.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.13 0.00 0.00 84 V 8.97 3.83 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 0.79 0.00 0.00 0.95 0.00 0.00 85 K 7.82 4.74 0.00 1.87 1.63 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.48 7.81 86 L 8.64 5.09 0.00 1.67 1.56 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.74 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 0.00 0.00 0.00 0.00 88 Q 8.76 4.24 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 89 S 8.12 4.66 0.00 3.95 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 90 S 8.09 5.23 0.00 3.98 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.82 5.50 0.00 3.23 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 92 T 9.41 5.15 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 1.25 0.00 0.00 93 V 8.92 4.91 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 0.73 0.00 0.00 0.96 0.00 0.00 94 Q 9.13 5.05 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 95 V 9.18 5.06 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 1.36 0.00 0.00 1.12 0.00 0.00 96 R 9.04 5.17 0.00 1.80 1.80 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 97 F 8.47 5.70 0.00 2.67 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 *99 G 8.21 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 0.00 100 P 0.00 4.28 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 101 D 7.98 4.75 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 3.98 0.00 4.04 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 0.00 103 G 7.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.10 0.00 1.59 1.58 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.33 4.72 0.00 1.84 1.96 0.00 3.68 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 106 L 7.31 4.70 0.00 1.10 1.15 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.81 5.04 0.00 1.94 1.68 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 2.14 2.19 0.00 108 V 8.95 4.82 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 0.73 0.00 0.00 1.02 0.00 0.00 109 T 8.94 5.02 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 1.22 0.00 0.00 110 Q 9.31 4.88 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 111 R 8.86 4.90 0.00 1.87 1.69 0.00 3.08 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 1.44 1.64 0.00 112 L 8.50 5.04 0.00 0.27 1.12 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.35 4.81 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 0.97 0.00 0.00 0.89 0.00 0.00 114 C 9.25 4.90 0.00 3.33 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 0.00 115 V 8.96 5.02 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 0.70 0.00 0.00 0.89 0.00 0.00 116 D 9.41 5.07 0.00 2.70 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 0.00 117 T 9.23 4.33 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 1.18 0.00 0.00 118 D 7.86 5.01 0.00 2.66 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 0.00 119 K 7.39 5.19 0.00 1.73 1.61 0.00 1.71 0.00 0.00 2.36 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.94 7.81 120 I 8.06 4.21 1.86 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 1.28 1.21 0.90 0.00 0.00 121 A 8.21 4.38 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 0.00 122 P 0.00 4.94 0.00 1.97 2.03 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 123 R 8.64 4.78 0.00 1.79 1.88 0.00 3.33 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 124 P 0.00 4.72 0.00 1.95 2.03 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 125 L 8.72 4.26 0.00 1.48 1.56 0.91 1.04 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 0.00 126 P 0.00 4.11 0.00 1.60 1.47 0.00 3.18 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.22 0.00 127 D 8.80 4.31 0.00 2.59 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 0.00 128 P 0.00 4.18 0.00 1.99 1.99 0.00 3.33 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 1.96 2.03 0.00 129 V 7.29 3.32 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 0.67 0.00 0.00 0.69 0.00 0.00 130 R 7.65 3.91 0.00 1.78 1.88 0.00 3.31 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 131 Q 7.91 4.15 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.40 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 132 A 7.98 4.07 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 *134 A 8.09 4.32 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.78 3.94 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 1.25 0.00 0.00 136 Y 7.94 4.71 0.00 3.36 3.13 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 0.00 137 V 7.53 4.04 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 0.76 0.00 0.00 1.07 0.00 0.00 138 D 9.13 4.77 0.00 2.69 2.58 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 0.00 139 E 8.77 4.03 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 140 T 8.01 4.04 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 0.00 141 L 7.77 4.27 0.00 1.77 1.77 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.16 4.19 1.33 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.