NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1152 8.4449 118.7773 56.2326 31.8701 175.7400 2 C 3.5405 7.6057 128.1862 58.9818 27.2328 171.2069 3 C 3.9935 7.9964 126.2877 57.0322 42.7470 172.5727 4 S 4.5181 9.1390 120.4189 56.1793 66.1650 175.3143 5 R 3.8581 8.2637 121.1207 59.5452 29.7309 178.1054 6 G 3.5005 7.9857 104.7379 48.1124 0.0000 174.6336 7 D 4.2886 8.2191 121.1396 57.1014 40.7261 178.5330 8 A 3.8098 8.1344 120.6246 55.6080 18.4338 179.2240 9 E 3.8376 8.1879 116.6492 59.8331 29.5050 180.1246 10 V 3.5716 7.9437 118.0239 66.0049 31.5216 177.8130 11 V 3.0110 7.9227 118.2822 66.1088 31.2078 177.8647 12 I 3.4697 8.4211 119.8798 64.6749 37.0440 178.2187 13 S 4.1560 8.1213 114.0722 61.4012 62.3887 175.9218 14 E 4.4310 9.2671 123.6282 58.4936 29.3050 179.5561 15 W 4.6046 9.4108 129.2359 60.7723 30.6036 177.4500 16 D 4.7441 8.5393 116.9402 55.7588 40.0022 177.8146 17 Q 4.1078 8.0187 121.0028 58.5153 29.2327 177.6375 18 V 3.4922 7.6015 118.2332 64.0991 32.7965 176.1306 19 F 4.7813 7.3906 116.8975 55.5985 38.7721 174.5694 20 N 4.9194 7.8005 121.7645 51.6419 40.1313 175.6181 21 A 4.5220 8.2035 116.5852 49.3564 17.5894 175.8868 22 A 4.6455 7.2568 133.3439 52.4938 20.4168 178.1266 23 M 4.1719 7.4206 114.3806 57.3969 32.8073 176.5641 24 A 4.4307 7.1238 120.1803 54.0918 18.8526 177.3371 25 G 3.8976 11.1733 109.7466 46.2710 0.0000 174.4841 26 S 4.7957 7.8698 113.6584 59.2409 70.0800 176.1722 27 S 4.8119 7.6155 114.2956 57.2555 63.3947 175.8032 28 E 4.3866 8.1193 120.7952 58.6654 29.5566 179.2892 29 S 4.1444 8.0100 114.4874 61.4750 63.2488 175.8626 30 A 3.9265 8.0755 124.9331 54.6526 18.0262 179.6913 31 V 3.6147 7.7972 116.0882 65.9119 31.6697 178.3306 32 G 3.7863 8.7084 106.2127 48.1117 0.0000 175.9789 33 V 3.8277 8.6748 115.8454 64.0026 31.6120 178.2532 34 A 4.0303 7.8213 120.5902 55.5891 18.0176 179.5940 35 I 3.5485 7.8471 117.8553 64.4894 37.1748 178.3558 36 F 3.5282 8.2307 118.2097 60.7385 38.8476 177.3073 37 D 4.5976 8.8621 118.3025 57.8419 40.7747 179.2387 38 A 4.0787 8.0389 120.7607 55.1523 18.1927 179.0225 39 F 4.1772 8.4558 120.0745 60.9772 39.3767 176.9617 40 F 4.0750 8.5238 117.2207 60.7883 38.7092 177.6741 41 A 4.0162 7.8291 118.7876 55.4345 18.2684 179.6183 42 S 4.1847 7.6530 110.8300 61.6689 63.4439 176.3826 43 S 3.5601 7.7110 118.6332 58.5199 62.5773 175.7962 44 G 3.9034 7.9401 109.4073 45.1436 0.0000 173.8312 45 V 3.5826 7.0181 119.0285 62.9782 32.3778 175.5297 46 S 4.3660 8.6117 119.6350 56.6467 63.4711 173.3034 47 P 3.9455 0.0000 0.0000 65.2125 30.8936 177.4051 48 S 4.6160 7.6799 113.6246 58.8531 61.8606 173.7652 49 M 4.6576 7.8952 116.4870 54.3801 33.9112 174.6823 50 F 4.8207 8.2498 116.5145 54.7938 41.6130 172.9399 51 P 4.3262 0.0000 0.0000 64.6870 31.2732 177.5458 52 G 3.8887 9.0354 110.3430 45.0541 0.0000 173.7519 53 G 4.4043 9.7059 107.7805 46.3094 0.0000 174.2290 54 G 2.5526 6.7252 114.2468 44.3257 0.0000 174.9915 55 D 4.2101 8.7875 117.3157 53.7662 38.5758 172.6685 56 S 4.6777 8.2448 116.6942 60.4732 63.0961 175.8656 57 N 4.8731 7.9551 117.3791 52.5808 37.6080 174.3973 58 N 4.7876 8.6878 118.6914 52.5680 40.3876 172.4877 59 P 4.2355 0.0000 0.0000 66.0793 31.3673 178.2917 60 E 3.9377 8.9779 117.3314 59.5427 29.4312 179.0401 61 F 4.5462 8.4689 121.3967 60.8710 39.3495 176.6860 62 L 3.7690 8.3775 118.6926 57.5211 41.3731 178.9223 63 A 3.9753 7.9628 120.2222 55.5418 18.3720 179.4463 64 Q 3.8692 8.2046 117.8554 59.3183 29.1174 178.4808 65 V 3.5046 7.6775 119.9103 66.0833 31.3593 177.5015 66 S 4.0707 8.3328 112.9610 61.9012 62.1786 176.6060 67 R 3.9146 8.2448 120.3447 58.8820 29.6403 179.4478 68 V 3.6060 7.6799 118.1343 66.0499 31.6270 178.1462 69 V 3.7069 8.0666 118.2217 66.0609 31.2670 177.7816 70 S 4.1484 8.5227 113.2419 61.2895 62.3025 175.9900 71 G 3.7974 8.0572 108.1461 48.0732 0.0000 174.9737 72 A 3.8512 8.0570 123.5907 54.8803 18.3456 179.2543 73 D 3.9524 8.2181 116.4430 57.3413 41.0906 178.4486 74 I 3.6486 7.8867 119.5327 64.2696 37.4378 178.0392 75 A 4.0281 7.9549 121.4101 55.1647 18.1971 179.4021 76 I 3.4173 7.6387 118.6191 64.7000 36.9960 178.1083 77 N 4.6332 7.7998 113.1329 54.5512 38.0875 175.3033 78 S 4.6852 7.7203 114.1493 57.6989 63.3578 175.5663 79 L 4.1591 8.1125 120.8443 57.7252 41.5449 178.7561 80 T 3.8128 7.9429 108.2960 63.6374 68.8740 174.0340 81 N 4.6643 7.4784 120.3831 51.6638 39.6707 174.9010 82 R 3.9666 8.5939 127.4613 59.4608 30.4097 177.7590 83 A 3.9620 7.8403 119.9148 55.7053 18.6749 179.6147 84 T 4.0468 8.4292 107.7011 64.4793 68.8911 176.5361 85 C 4.0899 8.1904 122.1491 62.4279 31.5891 174.9065 86 D 4.3723 8.2212 120.0728 57.6218 40.4282 178.4826 87 S 4.0450 7.6418 111.9084 61.5315 62.3598 175.8670 88 L 3.9381 7.9460 121.3392 58.1121 41.4349 179.8692 89 L 3.8799 8.1801 118.7853 57.7989 41.5387 179.3148 90 S 4.0454 8.3955 113.5319 61.7023 62.2290 175.6320 91 H 4.0651 8.3461 120.7329 59.3347 29.6025 177.2027 92 L 4.3584 7.6540 121.5813 57.3731 41.4263 178.4982 93 N 4.8583 8.9416 118.2853 56.1706 38.7262 176.1893 94 A 3.9663 8.4099 122.0243 55.7113 18.3572 179.5510 95 Q 3.9129 8.0029 116.0759 59.5179 28.7739 178.8698 96 H 4.2929 8.3161 116.7542 58.1995 28.6791 177.8123 97 R 3.9998 8.2909 119.7344 59.0424 29.8726 177.7647 98 A 4.7298 7.4918 117.9959 51.4509 19.3718 177.6747 99 I 4.2405 7.7738 122.5980 60.3513 38.7310 174.2134 100 S 4.2115 8.6314 119.8230 62.1478 62.0884 172.8012 101 G 3.2315 7.9583 118.2943 44.8914 0.0000 171.7322 102 V 4.2651 7.1237 121.2998 61.0398 32.1874 174.7745 103 T 4.5855 8.2828 118.0912 59.7473 70.6078 175.8410 104 G 3.6039 8.8596 111.3577 48.3498 0.0000 175.5549 105 A 4.1011 8.1727 121.6813 54.3408 18.2654 179.0366 106 A 4.6350 8.9025 120.4490 54.4390 19.2880 179.4196 107 V 3.5651 7.9528 116.6746 66.7174 31.3913 178.2948 108 T 4.4360 7.7209 110.3776 64.5049 68.4962 176.1529 109 H 4.1799 7.7356 119.5279 58.8283 28.7994 177.4936 110 L 3.9823 8.5056 122.6007 57.9918 41.6594 179.1306 111 S 4.1202 8.2866 114.6229 61.6463 63.0345 176.5513 112 Q 4.0543 8.9709 121.9065 58.0412 28.3384 178.4524 113 A 4.0248 7.9153 122.4136 54.9765 18.3512 179.5943 114 I 3.6515 7.5580 117.8763 64.7008 37.1725 178.4580 115 S 3.7164 7.7213 115.7964 61.7532 62.7697 176.6345 116 S 3.9731 7.9984 115.3015 61.6964 62.0381 176.5831 117 V 3.5153 7.8688 120.7050 65.7448 31.1188 177.9727 118 V 3.2645 7.8504 118.2704 65.9106 30.9168 177.8613 119 A 3.8673 7.8275 120.5143 55.1075 17.9358 179.5299 120 Q 3.9215 7.6516 115.4900 59.2104 28.9098 179.1440 121 V 3.8166 7.6394 117.7645 64.2308 32.5685 175.7663 122 L 4.4652 8.3208 124.0211 51.7889 41.3775 174.1223 123 P 4.3668 0.0000 0.0000 64.4631 31.6402 178.2791 124 S 4.1244 8.4706 112.6412 61.4188 62.9682 174.2559 125 A 4.1083 7.8423 122.0628 50.9001 17.9591 178.4284 126 H 4.6207 10.6465 126.9638 54.6656 26.8083 175.6871 127 I 3.8115 7.8221 118.1022 63.1023 37.6132 177.4135 128 D 4.0349 7.9129 119.5818 57.0629 41.3384 177.7729 129 A 4.0196 8.2391 120.7827 54.7440 18.3448 179.2151 130 W 4.0043 8.4336 117.5383 60.2756 29.2993 178.6274 131 E 3.8397 7.9508 117.6442 59.5885 28.3809 178.9657 132 Y 4.5398 7.8578 116.8342 61.3792 37.9155 178.1413 133 C 4.3066 8.5575 117.1569 60.0824 40.5881 176.0125 134 M 3.8755 9.0294 120.6973 57.7148 31.5523 178.7935 135 A 4.0295 8.0615 121.5441 55.1644 18.6990 178.8474 136 Y 4.2058 7.4973 117.7405 61.2002 39.0474 178.5157 137 I 3.3056 7.9072 120.4066 64.1472 37.0148 178.2723 138 A 4.0298 8.0676 121.0773 54.3953 18.1705 179.5182 139 A 4.0868 7.7763 119.6300 55.0388 18.4734 180.0323 140 G 3.5184 7.5698 103.1371 47.7693 0.0000 175.9142 141 I 3.9759 7.6150 121.8594 63.9111 37.1884 178.0773 142 G 3.9529 7.5652 105.0545 43.4870 0.0000 172.7022 143 A 4.1307 7.0324 123.1701 53.4639 18.2221 179.2437 144 G 3.9699 8.9053 111.1137 45.8992 0.0000 173.0188 145 L 4.1907 7.7549 124.5105 54.9703 41.6436 176.6286 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 E 8.44 4.12 0.00 1.95 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 2.08 2.21 0.00 2 C 7.61 3.54 0.00 2.92 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 3 C 8.00 3.99 0.00 3.26 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 4 S 9.14 4.52 0.00 3.97 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 5 R 8.26 3.86 0.00 1.90 1.94 0.00 3.19 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 6 G 7.99 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.22 4.29 0.00 2.87 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 8 A 8.13 3.81 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 9 E 8.19 3.84 0.00 2.18 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 2.32 2.52 0.00 10 V 7.94 3.57 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 1.04 0.00 0.00 0.92 0.00 0.00 11 V 7.92 3.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.36 0.00 0.00 12 I 8.42 3.47 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 1.02 0.00 0.00 13 S 8.12 4.16 0.00 4.07 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 14 E 9.27 4.43 0.00 2.56 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 2.51 2.35 0.00 15 W 9.41 4.60 0.00 3.80 3.28 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 16 D 8.54 4.74 0.00 3.12 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 17 Q 8.02 4.11 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 18 V 7.60 3.49 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 -0.10 0.00 0.00 0.72 0.00 0.00 19 F 7.39 4.78 0.00 2.83 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 20 N 7.80 4.92 0.00 2.87 3.08 0.00 0.00 6.58 7.46 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 21 A 8.20 4.52 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 22 A 7.26 4.65 1.25 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 23 M 7.42 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.73 0.00 24 A 7.12 4.43 1.39 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 0.00 0.00 25 G 11.17 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 26 S 7.87 4.80 0.00 4.14 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 27 S 7.62 4.81 0.00 3.96 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 28 E 8.12 4.39 0.00 2.07 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 2.19 2.25 0.00 29 S 8.01 4.14 0.00 4.04 4.10 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 30 A 8.08 3.93 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 31 V 7.80 3.61 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 0.92 0.00 0.00 0.87 0.00 0.00 32 G 8.71 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 33 V 8.67 3.83 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 0.92 0.00 0.00 1.07 0.00 0.00 34 A 7.82 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.85 3.55 2.01 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 1.86 0.97 0.62 0.00 0.00 36 F 8.23 3.53 0.00 3.31 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 37 D 8.86 4.60 0.00 2.79 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 38 A 8.04 4.08 1.43 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 0.00 0.00 0.00 39 F 8.46 4.18 0.00 2.73 2.72 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 40 F 8.52 4.08 0.00 3.25 2.94 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 41 A 7.83 4.02 1.39 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 0.00 0.00 42 S 7.65 4.18 0.00 4.18 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 43 S 7.71 3.56 0.00 3.70 3.41 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 44 G 7.94 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 45 V 7.02 3.58 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 1.20 0.00 0.00 1.01 0.00 0.00 46 S 8.61 4.37 0.00 4.01 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 47 P 0.00 3.95 0.00 1.53 0.49 0.00 3.42 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.43 0.00 48 S 7.68 4.62 0.00 3.78 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 49 M 7.90 4.66 0.00 2.17 2.06 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 2.41 2.18 0.00 50 F 8.25 4.82 0.00 3.23 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.33 2.10 0.00 4.01 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.20 0.00 52 G 9.04 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 53 G 9.71 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 54 G 6.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.79 4.21 0.00 2.75 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 56 S 8.24 4.68 0.00 4.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 4.87 0.00 2.81 2.96 0.00 0.00 6.83 7.92 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 58 N 8.69 4.79 0.00 2.98 2.95 0.00 0.00 7.22 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 59 P 0.00 4.24 0.00 2.21 2.13 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 60 E 8.98 3.94 0.00 2.34 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 2.39 0.00 61 F 8.47 4.55 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.77 0.00 1.85 1.62 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.96 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.20 3.87 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 65 V 7.68 3.50 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 1.06 0.00 0.00 -0.46 0.00 0.00 66 S 8.33 4.07 0.00 3.83 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 67 R 8.24 3.91 0.00 2.06 2.00 0.00 3.19 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 68 V 7.68 3.61 2.36 0.00 0.00 0.00 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 1.35 0.00 0.00 69 V 8.07 3.71 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 1.12 0.00 0.00 1.07 0.00 0.00 70 S 8.52 4.15 0.00 3.99 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 71 G 8.06 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 72 A 8.06 3.85 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 73 D 8.22 3.95 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 74 I 7.89 3.65 1.95 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 1.44 0.88 0.87 0.00 0.00 75 A 7.95 4.03 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 76 I 7.64 3.42 1.30 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.25 0.54 0.00 0.00 77 N 7.80 4.63 0.00 2.87 2.87 0.00 0.00 6.86 6.92 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 78 S 7.72 4.69 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.11 4.16 0.00 1.61 1.70 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.94 3.81 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 1.18 0.00 0.00 81 N 7.48 4.66 0.00 2.73 2.79 0.00 0.00 7.17 7.31 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 82 R 8.59 3.97 0.00 1.91 1.87 0.00 3.08 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.99 0.00 83 A 7.84 3.96 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 84 T 8.43 4.05 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 1.26 0.00 0.00 85 C 8.19 4.09 0.00 3.42 3.25 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 86 D 8.22 4.37 0.00 2.92 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 87 S 7.64 4.05 0.00 3.96 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 88 L 7.95 3.94 0.00 1.90 1.68 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.18 3.88 0.00 1.70 1.56 0.30 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.40 4.05 0.00 3.90 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 91 H 8.35 4.07 0.00 3.29 3.49 0.00 5.84 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 92 L 7.65 4.36 0.00 1.93 1.70 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.94 4.86 0.00 3.02 2.99 0.00 0.00 6.61 8.61 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 94 A 8.41 3.97 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 95 Q 8.00 3.91 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 96 H 8.32 4.29 0.00 3.36 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.29 4.00 0.00 1.92 2.01 0.00 3.15 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 98 A 7.49 4.73 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 99 I 7.77 4.24 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 0.84 0.00 0.00 100 S 8.63 4.21 0.00 3.97 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 0.00 101 G 7.96 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 0.00 0.00 0.00 102 V 7.12 4.27 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 1.05 0.00 0.00 103 T 8.28 4.59 4.29 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 1.25 0.00 0.00 104 G 8.86 3.60 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 0.00 0.00 0.00 105 A 8.17 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.90 4.63 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.57 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 1.16 0.00 0.00 0.98 0.00 0.00 108 T 7.72 4.44 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 1.26 0.00 0.00 109 H 7.74 4.18 0.00 3.77 3.62 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.51 3.98 0.00 1.31 1.67 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.29 4.12 0.00 4.20 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.97 4.05 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 113 A 7.92 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.56 3.65 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 1.18 0.00 0.00 115 S 7.72 3.72 0.00 4.07 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 0.00 116 S 8.00 3.97 0.00 3.91 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 0.00 117 V 7.87 3.52 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 0.94 0.00 0.00 0.98 0.00 0.00 118 V 7.85 3.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.70 0.00 0.00 119 A 7.83 3.87 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 0.00 120 Q 7.65 3.92 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 121 V 7.64 3.82 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 0.59 0.00 0.00 0.84 0.00 0.00 122 L 8.32 4.47 0.00 1.52 1.57 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.37 0.00 2.04 2.09 0.00 3.74 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 124 S 8.47 4.12 0.00 3.89 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 0.00 125 A 7.84 4.11 1.08 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 0.00 0.00 126 H 10.65 4.62 0.00 3.44 3.38 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 0.00 127 I 7.82 3.81 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.93 0.00 0.00 128 D 7.91 4.03 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.24 4.02 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 0.00 130 W 8.43 4.00 0.00 3.42 3.33 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 0.00 131 E 7.95 3.84 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 2.57 2.51 0.00 132 Y 7.86 4.54 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.56 4.31 0.00 2.88 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 0.00 134 M 9.03 3.88 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 3.18 0.00 135 A 8.06 4.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.50 4.21 0.00 2.80 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 0.00 137 I 7.91 3.31 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.76 0.00 0.00 138 A 8.07 4.03 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 0.00 139 A 7.78 4.09 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 0.00 140 G 7.57 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 0.00 141 I 7.62 3.98 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.69 0.00 0.00 142 G 7.57 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 0.00 0.00 0.00 143 A 7.03 4.13 1.43 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 0.00 0.00 0.00 144 G 8.91 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 0.00 145 L 7.75 4.19 0.00 1.77 1.84 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00