NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4768 8.2893 120.3289 54.6892 33.4405 175.1249 2 E 3.9760 8.5348 119.8034 55.2818 30.3502 175.1252 3 H 5.0068 7.8636 115.7069 54.6959 29.6585 175.1898 4 V 3.7673 8.0449 118.5742 62.3537 32.5724 175.1294 5 A 4.8574 8.5988 124.2899 49.7397 22.4137 175.2054 6 F 2.9906 8.2835 121.5678 59.6131 39.4483 175.5825 7 G 3.6229 7.6150 115.9267 44.8189 0.0000 173.6015 8 S 4.0404 7.5770 116.9731 58.6520 63.2331 175.6061 9 E 4.0425 8.7913 122.8271 58.4016 29.7446 177.0997 10 D 4.9323 7.7007 118.9899 52.4331 40.2299 177.5976 11 I 3.4647 7.5740 122.3839 65.2800 37.8300 176.9558 12 E 4.0763 8.1193 117.6683 59.3002 29.2251 178.8751 13 N 4.3624 7.9718 116.9383 56.4551 38.9583 177.1220 14 T 3.9917 7.7663 116.5557 66.8109 68.7651 176.6372 15 L 4.0343 8.0751 120.2992 57.3354 41.2978 179.2999 16 A 4.2818 7.9705 119.9819 54.1747 18.2617 178.7316 17 K 4.4463 7.6993 114.6183 55.6736 32.9371 175.8497 18 M 4.5872 7.2011 118.8994 53.7961 34.0951 176.1297 19 D 4.8295 8.1365 121.8995 52.1671 42.9933 177.1234 20 D 4.5113 8.6005 118.4388 57.5804 40.4701 179.1467 21 G 3.6626 8.1224 104.6704 48.0161 0.0000 175.2717 22 Q 4.1368 8.4561 120.3401 58.6193 28.7959 178.6057 23 L 3.9367 7.9979 120.0660 57.9911 41.5115 179.1354 24 D 4.6205 8.2784 117.0193 56.0013 40.8871 177.8592 25 G 3.8239 7.5864 104.8425 44.0099 0.0000 174.1583 26 L 3.8815 6.8721 120.7487 54.3066 42.0494 177.4835 27 A 4.0905 8.3415 124.8894 54.0246 18.7797 177.5233 28 F 5.0422 7.0892 110.2860 54.7634 40.4192 176.3630 29 G 4.1818 9.1944 107.9764 46.3436 0.0000 172.4382 30 A 5.5013 8.7598 124.3219 50.4743 22.7552 174.8998 31 I 4.9665 9.0877 123.5495 59.4979 41.2830 174.3087 32 Q 4.7420 8.9113 127.4087 54.1939 31.3177 174.1962 33 L 5.3680 9.0291 126.1702 52.8870 45.5112 176.3863 34 D 5.5301 8.3107 121.4697 51.6595 40.8544 177.4696 35 G 3.6265 9.1985 107.9026 48.0536 0.0000 174.2238 36 D 4.7005 8.5391 117.8751 54.3689 41.5172 177.2067 37 G 4.1299 8.9382 108.8477 45.4304 0.0000 173.1712 38 N 4.9172 8.6548 117.9295 52.7584 39.3417 174.3178 39 I 4.3095 8.7330 124.0831 61.4945 37.6395 176.4754 40 L 4.3344 9.1858 127.6714 56.2894 42.9986 177.1209 41 Q 4.7129 7.7163 115.2058 54.8069 33.7795 174.1208 42 Y 4.9434 8.4128 122.4196 57.0829 41.3066 173.9566 43 N 4.9879 8.9437 125.4545 51.8325 39.5559 176.2867 44 A 4.0229 9.0092 120.4865 55.2556 18.3238 179.7354 45 A 3.9403 7.9301 118.8051 55.2463 18.5545 179.3103 46 E 3.9761 8.6353 117.9528 59.4422 29.6851 179.3194 47 G 3.9510 8.1934 105.6647 47.9158 0.0000 175.4700 48 D 4.4239 8.4078 121.2097 57.3057 40.6431 178.6495 49 I 3.8682 7.7643 119.5435 64.1454 37.2252 177.6257 50 T 4.5644 7.9775 107.1298 60.2629 69.5827 174.5736 51 G 3.9673 7.8775 107.9761 46.1060 0.0000 172.6614 52 Q 4.4497 7.9508 114.6324 55.0598 32.1654 172.8334 53 D 4.6816 8.3921 117.5127 52.6385 42.1547 174.7245 54 P 4.1676 0.0000 0.0000 65.9536 29.8499 178.5964 55 K 4.0362 8.8980 117.6296 59.9745 32.1605 179.1556 56 Q 4.1208 8.0145 118.2836 57.7808 28.9318 177.6795 57 V 4.0669 7.4581 111.9656 60.2783 32.9053 175.9538 58 I 3.8880 6.3660 117.9990 62.9577 37.3622 176.2000 59 G 4.0094 8.9775 113.6104 45.4158 0.0000 174.1491 60 K 4.1713 7.7097 118.9250 55.7285 33.0229 175.3763 61 N 4.9800 8.3386 119.3058 52.4517 39.7906 175.3650 62 F 3.8327 9.1732 129.1857 61.3495 39.4749 177.2049 63 F 3.8721 7.7367 118.1684 59.2820 39.2449 177.5528 64 K 3.9029 7.8948 120.7878 58.2491 32.3111 177.0287 65 D 4.6554 7.8380 115.5460 54.4850 43.2756 177.5589 66 V 3.7763 7.5554 117.0912 64.3442 32.6937 175.9639 67 A 4.3287 7.3497 121.0573 49.9192 18.5532 175.1773 68 P 4.2447 0.0000 0.0000 64.3712 32.0445 179.1234 69 C 4.2198 7.8062 113.2341 60.7035 29.8124 174.3046 70 T 4.1959 7.7632 109.5183 61.4297 68.7123 174.1551 71 D 5.0010 7.7570 123.3931 53.1241 39.6843 174.8832 72 S 4.7758 8.0454 117.2552 56.0242 65.9111 174.5270 73 P 4.2312 0.0000 0.0000 65.9143 31.1800 178.6513 74 E 4.0087 8.2315 115.8034 57.8880 29.3306 175.7517 75 F 4.4872 7.2479 117.5460 58.2188 42.6113 175.7220 76 Y 3.8994 8.7677 120.2733 60.8165 38.9566 179.1018 77 G 3.4371 8.3276 106.3459 47.8999 0.0000 175.8360 78 K 4.1364 7.8180 121.4899 58.7155 31.8764 179.1316 79 F 4.1296 8.6931 121.4315 61.5112 39.3757 177.4125 80 K 3.5832 8.1247 117.9684 59.2200 31.7363 179.2401 81 E 3.9395 8.1315 119.0933 59.4136 29.5061 179.6931 82 G 3.5529 7.9644 105.6805 46.3650 0.0000 176.0457 83 V 3.0666 7.2452 119.8559 65.6695 31.5157 177.6985 84 A 4.0575 7.6447 119.4005 54.9250 18.1882 179.1534 85 S 4.3504 8.2152 111.4258 58.4836 63.3174 176.0199 86 G 4.1218 7.8703 109.9501 45.9897 0.0000 173.4436 87 N 5.0074 7.8109 114.5030 51.7962 38.3242 173.8081 88 L 3.8180 8.0655 121.0664 57.1156 42.8867 175.5802 89 N 5.4067 8.3748 119.3263 53.3707 40.3118 172.3200 90 T 4.8763 9.1446 117.2442 59.9830 71.7268 171.6638 91 M 5.4125 8.6400 126.6758 53.9997 35.4760 173.9536 92 F 4.9513 8.3763 118.6730 56.2480 41.8399 172.7118 93 E 4.9246 8.9387 118.9865 56.2477 30.6680 175.1178 94 Y 4.8591 8.8748 122.2368 57.0101 43.2322 173.2010 95 T 4.8254 7.9889 119.3769 61.8305 71.0904 173.6513 96 F 5.4194 9.3358 126.4693 56.2604 40.4889 176.3730 97 D 4.9686 8.8388 120.0421 53.0963 40.8541 174.2271 98 Y 4.3549 8.1498 122.5807 58.3896 39.1332 175.0324 99 Q 3.4075 8.3361 126.3708 56.0885 26.6040 173.1792 100 M 4.7399 7.2170 111.8503 53.9724 34.2461 174.4933 101 T 3.8977 8.4146 117.2885 63.2107 69.0718 172.4587 102 P 4.6348 0.0000 0.0000 63.7507 32.0937 175.7658 103 T 4.6543 8.9645 120.7365 61.5373 72.0888 173.4521 104 K 4.6455 8.6611 126.2294 56.3737 33.5868 176.5361 105 V 4.5796 8.8174 117.0831 59.5517 36.7906 173.9172 106 K 4.7906 8.6978 123.4997 54.8228 34.3344 175.0850 107 V 4.9916 8.6249 126.7206 61.2986 34.9275 173.6757 108 H 5.2455 9.3995 126.5494 54.8608 32.8222 171.6142 109 M 5.0770 9.1626 126.5024 53.9235 34.1660 175.3542 110 K 5.1264 9.0610 123.9302 54.4124 36.3310 175.1414 111 K 4.4299 8.9389 128.5695 57.0611 32.6328 176.2086 112 A 4.6933 8.0987 128.5560 51.1366 19.4938 177.7410 113 L 4.0434 8.6906 119.3835 57.6318 42.0592 178.7415 114 S 4.1001 7.9726 112.5070 57.7462 62.7945 173.8757 115 G 3.6247 8.5987 116.1604 47.2300 0.0000 172.2388 116 D 4.4190 8.6321 119.8009 54.4758 39.9910 172.7589 117 S 4.8029 6.6245 109.9806 57.0940 67.2187 173.1004 118 Y 4.9001 8.4548 118.3056 56.4623 42.5017 174.2294 119 W 5.0044 9.3892 124.3026 55.6605 31.4021 175.5318 120 V 4.5547 8.7739 123.4372 61.2422 33.5888 174.1832 121 F 5.7921 9.2226 127.0664 56.0092 42.1274 175.0336 122 V 5.3013 9.3142 121.4462 61.3972 35.1369 174.1207 123 K 4.9881 8.8026 125.3348 54.9494 36.3506 175.8209 124 R 4.3280 8.4796 120.1122 56.5198 31.0042 177.1766 125 V 4.0300 7.8560 114.7688 61.6359 32.2884 175.4639 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 M 8.29 4.48 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 E 8.53 3.98 0.00 2.09 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 0.00 2.26 2.41 0.00 3 H 7.86 5.01 0.00 3.18 3.32 0.00 5.72 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 4 V 8.04 3.77 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 0.74 0.00 0.00 0.79 0.00 0.00 5 A 8.60 4.86 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 6 F 8.28 2.99 0.00 2.62 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 7 G 7.61 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 0.00 0.00 0.00 8 S 7.58 4.04 0.00 3.70 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.79 4.04 0.00 2.04 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 2.23 2.26 0.00 10 D 7.70 4.93 0.00 2.77 2.83 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 0.00 0.00 0.00 0.00 11 I 7.57 3.46 1.61 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.89 0.75 0.00 0.00 12 E 8.12 4.08 0.00 2.46 2.39 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 2.44 2.44 0.00 13 N 7.97 4.36 0.00 2.87 2.92 0.00 0.00 7.04 7.69 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 14 T 7.77 3.99 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 1.15 0.00 0.00 15 L 8.08 4.03 0.00 1.55 1.49 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.97 4.28 1.47 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 0.00 0.00 17 K 7.70 4.45 0.00 1.86 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 18 M 7.20 4.59 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 19 D 8.14 4.83 0.00 2.96 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 20 D 8.60 4.51 0.00 2.82 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 21 G 8.12 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 22 Q 8.46 4.14 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 23 L 8.00 3.94 0.00 1.90 1.78 1.18 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.28 4.62 0.00 2.79 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 25 G 7.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 6.87 3.88 0.00 1.18 0.35 0.48 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.34 4.09 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 28 F 7.09 5.04 0.00 3.41 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.19 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 0.00 0.00 0.00 30 A 8.76 5.50 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 31 I 9.09 4.97 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.45 0.86 0.00 0.00 32 Q 8.91 4.74 0.00 1.39 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 1.80 1.18 0.00 33 L 9.03 5.37 0.00 1.78 1.59 0.23 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.31 5.53 0.00 3.19 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 35 G 9.20 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 36 D 8.54 4.70 0.00 2.93 2.83 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 0.00 0.00 0.00 0.00 37 G 8.94 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 0.00 0.00 0.00 0.00 38 N 8.65 4.92 0.00 3.08 2.76 0.00 0.00 7.03 8.07 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 39 I 8.73 4.31 2.01 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 0.81 1.03 0.00 0.00 40 L 9.19 4.33 0.00 1.46 1.65 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.72 4.71 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 42 Y 8.41 4.94 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.94 4.99 0.00 3.02 2.98 0.00 0.00 6.46 7.40 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 44 A 9.01 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.93 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.64 3.98 0.00 1.93 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 1.47 2.04 0.00 47 G 8.19 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 48 D 8.41 4.42 0.00 2.90 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 49 I 7.76 3.87 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.66 1.10 0.00 0.00 50 T 7.98 4.56 4.35 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 1.45 0.00 0.00 51 G 7.88 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 52 Q 7.95 4.45 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 53 D 8.39 4.68 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 54 P 0.00 4.17 0.00 2.29 2.64 0.00 3.72 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 55 K 8.90 4.04 0.00 1.93 2.08 0.00 1.30 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.87 1.47 7.81 56 Q 8.01 4.12 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 57 V 7.46 4.07 1.74 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 0.67 0.00 0.00 -0.05 0.00 0.00 58 I 6.37 3.89 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.96 0.00 0.00 59 G 8.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.71 4.17 0.00 1.90 1.67 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.31 7.81 61 N 8.34 4.98 0.00 2.79 2.63 0.00 0.00 6.51 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.17 3.83 0.00 2.73 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.74 3.87 0.00 2.64 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 0.00 0.00 0.00 0.00 64 K 7.89 3.90 0.00 1.65 1.71 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.31 7.81 65 D 7.84 4.66 0.00 2.56 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 66 V 7.56 3.78 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 0.67 0.00 0.00 0.81 0.00 0.00 67 A 7.35 4.33 -0.27 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 68 P 0.00 4.24 0.00 1.86 1.86 0.00 3.38 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 69 C 7.81 4.22 0.00 3.25 3.27 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 70 T 7.76 4.20 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 0.72 0.00 0.00 71 D 7.76 5.00 0.00 2.62 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 72 S 8.05 4.78 0.00 4.32 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 2.22 2.16 0.00 3.67 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 2.14 2.14 0.00 74 E 8.23 4.01 0.00 2.15 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 0.00 2.37 2.37 0.00 75 F 7.25 4.49 0.00 2.81 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 76 Y 8.77 3.90 0.00 2.82 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 77 G 8.33 3.44 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 0.00 78 K 7.82 4.14 0.00 1.83 1.85 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.53 7.81 79 F 8.69 4.13 0.00 3.40 3.26 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 80 K 8.12 3.58 0.00 1.51 1.60 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.34 1.17 7.81 81 E 8.13 3.94 0.00 2.12 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 0.00 2.25 2.45 0.00 82 G 7.96 3.55 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 83 V 7.25 3.07 1.62 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 0.49 0.00 0.00 -0.85 0.00 0.00 84 A 7.64 4.06 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 85 S 8.22 4.35 0.00 4.06 4.14 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 86 G 7.87 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 0.00 0.00 0.00 87 N 7.81 5.01 0.00 2.80 2.84 0.00 0.00 6.07 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 88 L 8.07 3.82 0.00 1.67 1.83 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.37 5.41 0.00 2.76 2.70 0.00 0.00 6.88 7.70 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 90 T 9.14 4.88 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 1.41 0.00 0.00 91 M 8.64 5.41 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 92 F 8.38 4.95 0.00 3.19 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 93 E 8.94 4.92 0.00 1.97 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 2.29 2.35 0.00 94 Y 8.87 4.86 0.00 3.37 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 95 T 7.99 4.83 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 1.26 0.00 0.00 96 F 9.34 5.42 0.00 3.02 2.95 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 97 D 8.84 4.97 0.00 2.77 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 98 Y 8.15 4.35 0.00 2.94 2.83 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 0.00 0.00 0.00 0.00 99 Q 8.34 3.41 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.50 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 100 M 7.22 4.74 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.74 0.00 101 T 8.41 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 P 0.00 4.63 0.00 1.96 2.06 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 T 8.96 4.65 4.36 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 0.00 0.00 0.00 1.24 0.00 0.00 104 K 8.66 4.65 0.00 1.68 1.69 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.46 7.81 105 V 8.82 4.58 1.91 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 0.42 0.00 0.00 0.09 0.00 0.00 106 K 8.70 4.79 0.00 1.60 1.22 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.35 7.81 107 V 8.62 4.99 0.67 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 0.61 0.00 0.00 0.92 0.00 0.00 108 H 9.40 5.25 0.00 2.75 2.80 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.16 5.08 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 110 K 9.06 5.13 0.00 1.72 1.80 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.68 7.81 111 K 8.94 4.43 0.00 1.95 1.78 0.00 1.97 0.00 0.00 1.81 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.26 7.81 112 A 8.10 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.69 4.04 0.00 1.71 1.77 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.97 4.10 0.00 3.78 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 0.00 115 G 8.60 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 0.00 0.00 0.00 116 D 8.63 4.42 0.00 2.90 2.64 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 0.00 117 S 6.62 4.80 0.00 3.47 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 0.00 118 Y 8.45 4.90 0.00 3.29 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 0.00 119 W 9.39 5.00 0.00 2.93 1.74 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 0.00 120 V 8.77 4.55 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 1.21 0.00 0.00 0.84 0.00 0.00 121 F 9.22 5.79 0.00 2.90 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 0.00 122 V 9.31 5.30 2.50 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 1.18 0.00 0.00 1.38 0.00 0.00 123 K 8.80 4.99 0.00 1.62 1.56 0.00 1.03 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.89 7.81 124 R 8.48 4.33 0.00 1.67 1.87 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 125 V 7.86 4.03 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 0.53 0.00 0.00 0.91 0.00 0.00