NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9338 8.2085 109.7443 45.6340 0.0000 175.2312 2 A 4.0330 7.4650 121.7811 50.9711 19.2720 177.9684 *4 K 4.3235 8.9460 122.2624 58.1843 35.0959 175.7115 5 N 4.3063 7.8881 116.1289 56.4167 38.1913 177.4647 6 S 4.0242 8.2171 114.3919 61.4991 62.6307 175.8705 7 F 4.1636 8.3601 122.8232 61.3528 38.9397 176.6623 8 D 4.0917 8.4894 118.7585 57.4841 40.6181 178.7466 9 R 3.7886 7.8448 118.4633 59.8414 30.0398 177.9573 10 L 3.7402 7.8461 119.4818 57.9779 41.7188 178.7228 11 I 3.2878 7.2921 118.7483 64.6208 37.4700 177.5004 12 D 4.4193 8.5801 118.8253 57.6423 40.5710 179.0967 13 G 3.5352 8.1890 105.9796 47.9245 0.0000 175.7320 14 L 3.9309 7.7794 121.3115 56.8754 41.3383 179.5476 15 A 4.6372 8.2394 122.7614 54.8722 18.1987 179.8804 16 K 3.9477 7.8395 115.0106 58.7672 32.1600 178.2075 17 D 4.7326 7.4936 115.7593 54.1868 41.6251 176.5994 18 Y 4.8041 7.1580 114.2793 56.4744 41.1913 176.1045 19 G 3.7481 8.6315 111.4365 46.0382 0.0000 173.4422 *21 P 3.7525 0.0000 0.0000 61.7814 33.7281 176.6628 22 G 3.8717 8.9022 108.3810 45.0311 0.0000 173.0093 23 F 5.0847 8.4445 119.7845 54.0260 39.0682 173.2950 24 P 4.4003 0.0000 0.0000 62.2619 32.1241 175.8358 25 E 4.2907 8.2702 118.5139 55.2239 30.2899 176.8560 26 K 4.4197 8.3872 120.0583 56.5963 30.8788 177.0694 27 K 4.0521 8.1727 125.0910 58.8428 32.7307 177.3902 28 H 4.4301 7.6526 115.8737 55.1132 29.4139 174.7918 29 E 4.1018 8.2832 121.4035 57.2115 29.9987 177.2338 30 H 4.2745 8.6886 119.3505 55.7449 27.1889 174.8678 31 E 4.1355 7.4523 119.9730 56.3708 30.0217 177.2793 32 V 4.2708 8.1212 114.6664 61.4412 35.0862 175.4800 33 Y 5.2172 7.7566 116.1944 56.6668 42.6529 174.2280 34 C 5.0372 8.4444 122.1892 58.4551 34.7411 172.8074 35 F 4.4390 9.2472 125.0465 55.3766 41.8263 173.6499 36 E 4.7784 8.7603 124.8876 54.6072 31.8826 174.7712 37 F 4.6634 9.0700 126.9974 55.3922 38.9203 176.4763 38 K 3.9781 8.5477 123.7882 59.2510 32.2831 179.3462 39 E 4.0340 8.6129 118.1391 59.2248 29.4526 178.7999 40 V 4.3227 7.9016 108.1449 60.3169 32.1180 175.5011 41 S 3.8325 7.8088 114.5483 59.7208 61.2243 171.5494 42 I 5.1840 7.5591 119.0203 59.6138 40.3850 175.1814 43 R 5.1935 9.8076 125.6550 54.4582 33.8241 174.6860 44 I 5.0217 8.8011 123.6974 60.0554 39.7438 174.5354 45 Y 5.3663 9.0603 124.6106 56.3345 41.6701 174.8090 46 Q 5.0404 8.8248 121.3816 54.2736 31.9419 174.3182 47 D 4.8865 9.6662 127.1350 54.6981 41.7668 176.0101 48 K 3.9141 7.8963 120.4344 56.9042 32.6998 177.1649 49 F 4.9040 7.7824 117.7838 57.3537 39.8474 175.6968 50 K 3.9067 8.1945 116.0810 57.9332 29.0454 175.2034 51 W 5.1623 8.0257 117.7657 54.7943 33.2876 176.4481 52 V 4.9355 8.5464 123.3644 60.5107 33.6116 174.4114 53 Y 5.4234 9.3844 120.2019 56.3637 42.3739 174.4980 54 F 5.5152 9.5259 120.7353 55.8532 42.3760 173.7562 55 L 5.2702 9.7734 126.7529 53.2460 44.6518 174.9032 56 S 5.1961 9.0806 120.6282 56.5969 65.6542 172.2876 57 D 5.2128 8.6539 126.7861 52.7927 41.1816 176.6154 58 I 3.6909 8.1707 126.2659 62.3067 37.6425 176.7149 59 G 3.9994 8.2319 107.0753 44.3887 0.0000 173.0876 60 V 4.7126 8.2698 123.2751 60.9145 34.3437 174.9376 61 I 4.4115 8.1514 124.0077 59.8815 38.6215 175.0445 62 D 4.6765 8.7523 124.2997 53.7623 41.1386 175.9822 63 N 4.6577 7.7045 115.4916 52.4054 37.7993 174.1896 64 L 4.4541 8.2591 125.1964 53.3630 40.8205 175.6451 65 D 5.0391 8.0639 122.5056 51.4490 44.7846 176.0236 66 S 4.1958 8.7739 119.6953 62.1520 62.5710 176.6100 67 N 4.2721 8.3083 119.5696 55.8307 38.0388 177.1115 68 A 4.0299 7.8885 120.4521 55.7527 18.9575 178.2348 69 C 3.8723 8.8717 117.2535 63.3918 31.3771 175.5338 70 Q 3.8913 8.8161 118.1978 59.7746 28.4024 179.8387 71 S 4.1918 7.9953 116.6879 62.3940 63.2308 176.4893 72 L 3.9614 8.7127 123.6513 57.5194 41.7022 177.9574 73 L 4.2450 7.6431 118.0713 56.4144 41.9185 177.8021 74 R 4.3832 8.1369 117.4677 57.5861 30.2221 177.3119 75 L 4.2145 8.4730 117.8685 57.1330 41.9040 177.1186 76 N 5.1017 8.0819 115.3946 52.8350 38.6542 174.8953 77 E 4.1510 7.6536 116.2697 56.3797 29.9687 176.9521 78 F 4.1860 8.7744 123.2729 58.3537 40.1945 173.7654 79 N 3.9323 5.9206 120.2996 52.5961 39.0400 173.9046 80 L 4.2878 8.0714 117.9122 54.5827 41.9166 177.3142 81 R 4.4135 7.8395 117.6088 54.7293 31.5523 177.4337 82 T 3.8065 8.5207 111.9966 61.9601 69.2491 173.6010 83 P 3.7179 0.0000 0.0000 63.9955 27.5175 173.0785 84 F 4.0927 7.9841 126.4944 57.2354 40.3028 174.7396 85 F 4.7245 7.6282 126.7875 56.3922 39.8902 175.4812 86 T 4.2855 8.6016 122.1467 63.0608 69.7377 174.0691 87 V 4.6237 8.2974 126.9031 61.5121 32.6772 175.0319 88 G 4.2496 9.0298 114.6248 45.1978 0.0000 170.3215 89 L 5.1376 8.3475 118.8592 52.3996 44.2544 176.2647 90 N 4.3686 9.0385 122.4432 53.9048 39.1421 174.5162 91 E 4.5326 8.5761 116.2048 56.6145 29.3858 178.1221 92 K 4.5601 7.7306 118.9614 56.2653 33.4270 175.8328 93 K 3.8565 8.0371 111.8448 57.9198 30.2600 174.9808 94 D 5.0737 7.7570 116.4198 51.9284 44.2073 176.9285 95 G 4.1902 8.4249 110.0842 47.3154 0.0000 172.6944 96 V 4.8681 8.1997 121.5479 60.3830 35.5368 173.4932 97 V 4.9891 9.1214 124.2968 61.6973 34.8725 173.6532 98 H 6.1005 8.9703 122.1992 54.1110 32.9295 171.7243 99 T 5.0656 8.5538 113.2649 62.9573 73.0236 172.9353 100 R 5.1811 8.4253 117.9900 55.3813 32.8792 174.5734 101 I 4.4522 8.5331 120.3707 59.3616 42.0784 172.9253 102 P 3.4370 0.0000 0.0000 62.2217 31.8961 176.2332 103 L 4.0185 8.1855 121.8851 56.9247 42.4178 176.6130 104 L 3.9716 7.7400 120.3040 56.2620 41.9825 175.6723 105 N 4.1130 8.8625 124.7436 54.6415 37.2313 173.2664 106 L 4.5681 7.7173 117.9509 52.6123 43.7776 175.4648 107 D 4.8925 8.6870 125.1993 52.7010 42.1317 176.5970 108 N 4.4706 8.5942 120.0492 55.7106 37.9332 176.6984 109 V 3.6994 8.0799 118.6786 65.8808 31.8760 178.1745 110 E 4.1359 7.6938 119.7908 56.2564 29.1180 178.8873 *112 R 4.2135 8.2218 116.9180 56.1082 32.3068 178.0735 113 R 3.8978 7.8861 116.5766 59.5065 30.0056 178.9804 114 V 3.6957 8.0517 118.0329 66.3960 31.3546 177.2926 115 F 3.5029 7.8603 119.4427 61.1126 39.1480 176.3150 116 E 3.9386 9.2073 117.8014 59.6595 29.4908 179.2820 117 A 3.8638 8.7699 121.5229 55.3364 18.3971 179.3848 118 L 2.8185 7.8153 118.8098 57.9707 41.9693 178.8355 119 L 3.6787 7.5046 118.8458 57.7211 41.4742 178.8668 120 N 4.1407 8.0255 115.9645 56.6143 38.5650 177.1238 121 L 3.7586 7.6574 121.1919 58.3371 41.9925 179.2260 122 S 4.1051 7.9591 115.1235 61.7394 62.6115 176.2701 123 G 3.6063 8.1839 108.7284 47.4142 0.0000 175.0944 124 E 3.9422 8.3905 122.1849 59.0747 29.9626 179.9126 125 V 3.8441 8.0386 117.9991 65.5866 31.5273 178.0671 126 K 4.1415 8.3226 119.9008 59.1391 32.6824 178.2511 127 K 4.3621 8.0131 117.7830 55.6848 30.9532 176.6782 128 T 4.7352 7.5784 115.2318 64.7904 76.4400 175.5099 129 F 4.5064 8.1294 117.4837 56.4931 40.5204 176.1790 130 G 4.0224 7.9781 114.0759 45.7360 0.0000 173.6650 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 1 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 2 A 7.46 4.03 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 *4 K 8.95 4.32 0.00 1.95 2.04 0.00 1.79 0.00 0.00 1.99 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.62 7.81 5 N 7.89 4.31 0.00 2.76 2.89 0.00 0.00 6.78 7.66 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 6 S 8.22 4.02 0.00 4.18 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.36 4.16 0.00 3.18 3.22 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 8 D 8.49 4.09 0.00 2.88 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 9 R 7.84 3.79 0.00 1.97 1.94 0.00 3.37 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 10 L 7.85 3.74 0.00 1.65 1.39 0.79 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.29 3.29 1.46 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.36 0.46 0.00 0.00 12 D 8.58 4.42 0.00 2.68 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 13 G 8.19 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 14 L 7.78 3.93 0.00 1.29 0.61 0.43 -1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.24 4.64 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.84 3.95 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.67 7.81 17 D 7.49 4.73 0.00 2.44 2.14 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 18 Y 7.16 4.80 0.00 3.15 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 19 G 8.63 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 *21 P 0.00 3.75 0.00 1.24 0.49 0.00 3.57 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 1.75 1.51 0.00 22 G 8.90 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 23 F 8.44 5.08 0.00 2.76 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 24 P 0.00 4.40 0.00 2.01 2.01 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 25 E 8.27 4.29 0.00 1.95 1.87 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 2.29 2.33 0.00 26 K 8.39 4.42 0.00 1.71 1.80 0.00 1.69 0.00 0.00 2.26 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 27 K 8.17 4.05 0.00 1.64 1.66 0.00 1.32 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.31 7.81 28 H 7.65 4.43 0.00 2.99 3.04 0.00 5.75 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 29 E 8.28 4.10 0.00 1.89 1.65 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 1.78 2.13 0.00 30 H 8.69 4.27 0.00 3.35 3.24 0.00 5.67 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 31 E 7.45 4.14 0.00 2.06 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 2.37 2.45 0.00 32 V 8.12 4.27 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 0.65 0.00 0.00 -0.10 0.00 0.00 33 Y 7.76 5.22 0.00 3.06 3.08 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 34 C 8.44 5.04 0.00 3.09 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 35 F 9.25 4.44 0.00 3.08 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 36 E 8.76 4.78 0.00 1.83 1.69 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 2.15 2.24 0.00 37 F 9.07 4.66 0.00 3.14 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 38 K 8.55 3.98 0.00 1.84 1.90 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.48 7.81 39 E 8.61 4.03 0.00 2.25 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 0.00 2.50 2.49 0.00 40 V 7.90 4.32 2.01 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 0.86 0.00 0.00 0.94 0.00 0.00 41 S 7.81 3.83 0.00 4.04 3.91 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 42 I 7.56 5.18 1.91 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.86 1.07 0.00 0.00 43 R 9.81 5.19 0.00 1.68 1.49 0.00 3.01 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 44 I 8.80 5.02 2.18 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 1.06 0.00 0.00 45 Y 9.06 5.37 0.00 2.86 2.76 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 46 Q 8.82 5.04 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 47 D 9.67 4.89 0.00 3.38 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.90 3.91 0.00 1.68 0.80 0.00 1.63 0.00 0.00 1.26 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.00 1.15 7.81 49 F 7.78 4.90 0.00 3.42 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 50 K 8.19 3.91 0.00 2.04 1.90 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 51 W 8.03 5.16 0.00 3.28 2.76 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 52 V 8.55 4.94 2.14 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 0.87 0.00 0.00 0.91 0.00 0.00 53 Y 9.38 5.42 0.00 3.05 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 54 F 9.53 5.52 0.00 3.22 3.07 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 55 L 9.77 5.27 0.00 2.01 1.81 1.02 0.96 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 56 S 9.08 5.20 0.00 3.85 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 57 D 8.65 5.21 0.00 2.61 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 58 I 8.17 3.69 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.44 0.90 0.00 0.00 59 G 8.23 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 0.00 0.00 0.00 60 V 8.27 4.71 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 0.95 0.00 0.00 0.98 0.00 0.00 61 I 8.15 4.41 1.90 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 1.34 0.80 1.08 0.00 0.00 62 D 8.75 4.68 0.00 2.64 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 63 N 7.70 4.66 0.00 2.83 2.79 0.00 0.00 6.13 7.79 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 64 L 8.26 4.45 0.00 1.68 1.71 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.06 5.04 0.00 2.66 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 66 S 8.77 4.20 0.00 4.06 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 67 N 8.31 4.27 0.00 2.76 2.93 0.00 0.00 6.95 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 68 A 7.89 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.87 3.87 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.82 3.89 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.43 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 71 S 8.00 4.19 0.00 4.13 4.12 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 72 L 8.71 3.96 0.00 1.96 1.82 -0.39 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.64 4.25 0.00 1.70 1.82 0.95 0.90 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 74 R 8.14 4.38 0.00 2.11 2.10 0.00 3.24 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 75 L 8.47 4.21 0.00 1.69 1.66 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.08 5.10 0.00 2.80 3.03 0.00 0.00 6.95 7.66 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 77 E 7.65 4.15 0.00 2.21 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 2.51 2.37 0.00 78 F 8.77 4.19 0.00 2.98 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 79 N 5.92 3.93 0.00 2.67 2.64 0.00 0.00 6.06 7.79 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 80 L 8.07 4.29 0.00 1.60 1.67 0.96 1.07 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 81 R 7.84 4.41 0.00 1.93 1.85 0.00 3.34 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 82 T 8.52 3.81 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 1.19 0.00 0.00 83 P 0.00 3.72 0.00 1.97 2.15 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 84 F 7.98 4.09 0.00 2.85 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 85 F 7.63 4.72 0.00 2.73 2.84 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 86 T 8.60 4.29 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 1.29 0.00 0.00 87 V 8.30 4.62 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 0.61 0.00 0.00 0.83 0.00 0.00 88 G 9.03 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 89 L 8.35 5.14 0.00 1.59 1.57 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.04 4.37 0.00 2.81 2.92 0.00 0.00 6.85 8.14 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 91 E 8.58 4.53 0.00 2.00 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 0.00 2.31 2.33 0.00 92 K 7.73 4.56 0.00 1.83 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 K 8.04 3.86 0.00 1.83 1.85 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 94 D 7.76 5.07 0.00 2.58 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 G 8.42 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 0.00 0.00 0.00 0.00 96 V 8.20 4.87 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 0.75 0.00 0.00 0.97 0.00 0.00 97 V 9.12 4.99 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 1.00 0.00 0.00 0.87 0.00 0.00 98 H 8.97 6.10 0.00 3.53 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.55 5.07 4.43 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 0.00 0.00 0.00 1.07 0.00 0.00 100 R 8.43 5.18 0.00 1.73 1.60 0.00 3.06 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 101 I 8.53 4.45 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.78 0.00 0.00 102 P 0.00 3.44 0.00 1.62 0.64 0.00 3.20 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 1.53 1.35 0.00 103 L 8.19 4.02 0.00 1.92 1.66 0.97 0.33 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 0.00 104 L 7.74 3.97 0.00 1.57 1.50 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.86 4.11 0.00 2.86 2.82 0.00 0.00 6.93 7.78 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 0.00 106 L 7.72 4.57 0.00 1.56 1.68 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.69 4.89 0.00 2.80 2.51 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 0.00 0.00 0.00 0.00 108 N 8.59 4.47 0.00 2.86 3.13 0.00 0.00 6.00 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 0.00 109 V 8.08 3.70 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 0.94 0.00 0.00 0.97 0.00 0.00 110 E 7.69 4.14 0.00 2.09 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 2.31 2.28 0.00 *112 R 8.22 4.21 0.00 2.15 1.98 0.00 3.33 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 113 R 7.89 3.90 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 114 V 8.05 3.70 1.84 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 0.81 0.00 0.00 0.97 0.00 0.00 115 F 7.86 3.50 0.00 2.96 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 0.00 116 E 9.21 3.94 0.00 2.14 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 2.60 2.57 0.00 117 A 8.77 3.86 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 0.00 118 L 7.82 2.82 0.00 1.66 1.49 0.65 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.50 3.68 0.00 1.63 1.55 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.03 4.14 0.00 2.75 2.80 0.00 0.00 6.78 6.33 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 0.00 121 L 7.66 3.76 0.00 1.32 1.29 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.96 4.11 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.18 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 0.00 0.00 0.00 124 E 8.39 3.94 0.00 1.90 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 2.33 2.52 0.00 125 V 8.04 3.84 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 0.79 0.00 0.00 0.89 0.00 0.00 126 K 8.32 4.14 0.00 2.08 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 127 K 8.01 4.36 0.00 1.78 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 128 T 7.58 4.74 4.64 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 129 F 8.13 4.51 0.00 2.86 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 0.00 130 G 7.98 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 * Residues marked with a * may have inaccurate shift predictions.