NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4303 8.3001 120.3523 54.5377 34.4570 174.7981 2 A 4.3775 7.4043 120.7371 50.3886 22.4049 173.5172 3 A 4.7556 9.0681 123.1422 50.4896 22.4389 174.7674 4 E 4.5505 8.2719 119.2771 53.6424 31.6527 174.2361 5 P 4.1013 0.0000 0.0000 63.2964 31.6543 175.7755 6 L 4.8669 8.1451 122.4291 52.9697 45.1700 175.7269 7 T 4.3534 8.7956 114.3608 61.2206 69.8306 174.8724 8 E 3.8879 8.7143 121.5759 59.7694 29.1711 178.4946 9 L 3.9984 7.8802 117.7144 58.0694 41.6851 179.3703 10 E 4.0096 8.1672 117.7466 59.6321 29.4673 179.1828 11 E 4.0890 8.7337 118.7908 59.1845 29.3223 179.4441 12 S 4.2853 8.2884 115.1996 60.5758 62.9575 175.5502 13 I 4.4026 7.4520 113.4648 61.5093 38.3448 176.6713 14 E 4.3743 7.8527 121.6036 58.9218 29.5082 177.8026 15 T 4.1721 7.9927 114.6021 64.4750 66.9117 176.1642 16 V 3.9965 7.8275 114.8140 62.8762 31.7351 178.3238 17 V 3.9537 8.1131 118.6438 66.1009 31.2912 178.1128 18 T 4.1066 8.1354 115.2778 67.0091 67.8190 176.5401 19 T 4.1128 7.7638 117.6881 65.8808 68.3828 176.5831 20 F 4.0702 8.0266 122.1232 61.4482 39.2748 177.3714 21 F 3.6788 8.3888 116.0155 60.1378 38.3923 177.1421 22 T 4.1381 7.8458 108.9681 63.6596 68.7405 176.9736 23 F 4.0938 7.6884 119.3059 58.8458 40.8720 176.6134 24 A 4.4562 7.9016 124.1676 49.4281 16.6495 177.4677 25 R 4.5267 7.4205 111.6909 56.1933 31.2577 176.5402 26 Q 4.2644 8.6116 118.4886 58.4464 29.2372 176.6415 27 E 4.1798 8.6529 117.0659 56.5878 30.1768 176.7075 28 G 3.8697 7.7830 104.4548 45.8106 0.0000 168.8324 29 R 3.9484 8.5366 131.3519 55.4906 30.1411 176.6109 30 K 5.1879 8.9538 120.4784 56.7287 32.6216 176.5101 31 D 5.1614 7.8115 116.5023 53.1110 40.7144 175.4121 32 S 4.8073 7.7453 113.1888 57.1313 66.1653 173.0876 33 L 4.0759 9.1662 128.1202 54.7107 42.4578 176.7805 34 S 4.9917 9.4198 125.4107 57.8327 65.4629 174.9095 35 V 3.7451 8.5022 119.7638 65.5603 31.4367 177.6508 36 N 4.3322 9.0017 118.4621 56.3784 38.8474 176.7158 37 E 4.0366 8.2004 119.5194 59.2722 29.5489 179.0317 38 F 3.7841 7.9951 120.0292 61.0256 39.5180 177.2122 39 K 4.0273 8.2943 119.3921 59.5619 31.8457 178.4131 40 E 4.0849 8.3635 118.4585 58.4273 29.7994 178.3819 41 L 3.1077 7.4923 120.7978 58.0484 41.8210 179.2795 42 V 3.6734 7.6305 112.3705 64.0613 31.4038 177.1824 43 T 5.0461 7.7261 114.2005 63.5056 68.9760 174.4610 44 Q 4.6775 7.9404 124.2150 57.0605 36.0739 174.2400 45 Q 4.3621 8.5248 117.4024 56.8786 30.0615 175.4200 46 L 4.8665 7.2779 117.1623 53.2680 42.1320 175.8065 47 P 4.5413 0.0000 0.0000 64.1222 32.6931 176.4444 48 H 4.6792 8.0917 117.5090 57.9448 31.0062 175.3706 49 L 3.9264 8.0462 119.1470 57.6122 42.0176 176.7496 50 L 4.5832 7.2104 117.9833 53.4371 41.7497 176.9796 51 K 4.0524 8.3072 122.7726 57.4159 32.3923 176.5490 52 D 4.7928 7.9185 118.5008 52.8123 41.6721 175.3902 53 V 4.4840 8.4751 118.3782 60.8524 33.0175 176.3220 54 G 3.9917 8.4206 109.5406 46.8822 0.0000 174.6716 55 S 4.6944 9.1237 116.7193 58.1780 63.6307 176.3016 56 L 3.9038 8.0467 124.4114 58.5096 41.8118 177.5177 57 D 4.4093 8.0386 118.3604 57.0440 40.6885 178.2614 58 E 3.8833 8.2527 120.1308 59.0783 29.7063 178.9500 59 K 3.8684 7.8667 118.0247 59.6743 32.1478 178.6477 60 M 3.5804 8.2749 118.6806 58.6096 31.8319 178.2336 61 K 3.9588 7.6578 118.0803 59.2640 32.4144 178.5742 62 S 4.3181 7.7675 114.5500 60.3973 62.8837 176.0119 63 L 4.4602 7.5565 121.1256 56.4017 42.4495 177.7555 64 D 4.6351 8.1675 121.4307 53.5133 39.6731 176.6990 65 V 3.6230 7.9556 116.8824 62.4958 32.2637 177.2571 66 N 4.4883 7.8239 117.0000 53.7508 38.8046 175.1477 67 Q 3.5984 7.9386 115.4325 57.3477 26.5505 173.6663 68 D 4.7619 8.3088 114.2602 52.6142 40.2673 175.9670 69 S 3.7476 8.7312 114.9891 59.7466 60.4652 170.7656 70 E 4.4412 8.3113 120.8106 54.5151 31.7278 175.1466 71 L 4.4537 8.6834 128.4573 53.8555 41.8530 177.2507 72 K 4.5087 8.4317 124.3443 54.7654 34.0117 177.2497 73 F 4.4753 8.3481 122.8062 56.7260 37.3476 172.2972 74 N 4.7555 7.5977 128.1215 53.7157 45.7800 176.1339 75 E 4.1811 8.0689 117.6773 59.3965 29.5692 178.6253 76 Y 4.2422 7.9960 120.0262 60.3084 38.9069 177.6135 77 W 3.6131 8.0272 127.7681 59.6764 30.7021 177.8138 78 R 4.0171 7.8116 118.8153 59.2158 29.3658 178.1272 79 L 3.8837 7.7740 120.4139 58.1969 42.0942 179.0578 80 I 3.4770 7.1842 119.3421 64.0980 36.6569 178.5315 81 G 3.7421 7.7604 105.8731 47.5501 0.0000 175.5578 82 E 4.1489 8.0866 121.1511 59.2082 29.5293 179.3189 83 L 4.0427 8.0828 119.3285 58.3832 40.1728 179.0908 84 A 4.0112 7.6722 121.2971 54.3081 18.5986 178.7357 85 K 4.2721 7.9172 115.2720 57.8659 33.0653 178.0942 86 E 4.2765 7.6316 119.3411 57.8867 29.5190 177.4198 87 I 4.1252 7.5587 117.5804 61.2873 38.5760 175.2693 88 R 4.3344 7.7259 117.4448 57.3522 31.7776 175.5158 89 K 4.6537 8.4004 115.8684 54.8066 34.3343 175.7546 90 K 4.4643 9.6338 116.6952 58.2259 34.9303 177.4514 91 K 4.5272 7.8440 115.2179 55.3543 34.0699 175.7638 92 D 4.8059 7.9499 118.0300 53.0263 40.5037 174.7229 93 L 4.1309 7.3145 119.3927 56.7589 42.2146 172.7792 94 K 3.9811 8.2706 117.6057 53.8060 31.3531 180.7413 95 I 2.8598 7.4064 116.6740 62.3154 38.5241 175.2473 96 R 4.1219 8.0502 117.6791 55.9900 31.0493 174.0054 97 K 4.4596 8.6731 127.2349 54.3585 33.9412 175.7537 98 K 4.1556 8.6250 126.2632 56.4989 32.1943 175.4854 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 8.30 4.43 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 A 7.40 4.38 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.07 4.76 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 4 E 8.27 4.55 0.00 1.94 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 2.23 2.37 0.00 5 P 0.00 4.10 0.00 2.04 2.04 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 6 L 8.15 4.87 0.00 1.60 1.87 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.80 4.35 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 1.33 0.00 0.00 8 E 8.71 3.89 0.00 2.08 1.95 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 2.41 2.45 0.00 9 L 7.88 4.00 0.00 1.74 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.17 4.01 0.00 2.16 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 2.41 2.42 0.00 11 E 8.73 4.09 0.00 2.18 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 2.36 2.65 0.00 12 S 8.29 4.29 0.00 4.03 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 13 I 7.45 4.40 2.09 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 1.69 0.71 1.08 0.00 0.00 14 E 7.85 4.37 0.00 2.30 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 0.00 2.41 2.53 0.00 15 T 7.99 4.17 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 16 V 7.83 4.00 1.95 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 1.02 0.00 0.00 1.07 0.00 0.00 17 V 8.11 3.95 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 1.79 0.00 0.00 1.43 0.00 0.00 18 T 8.14 4.11 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 1.26 0.00 0.00 19 T 7.76 4.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 20 F 8.03 4.07 0.00 3.00 3.20 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 21 F 8.39 3.68 0.00 3.25 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 22 T 7.85 4.14 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 1.18 0.00 0.00 23 F 7.69 4.09 0.00 3.11 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 24 A 7.90 4.46 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.42 4.53 0.00 1.82 1.85 0.00 2.99 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 26 Q 8.61 4.26 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 7.24 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 27 E 8.65 4.18 0.00 1.91 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 0.00 2.34 2.26 0.00 28 G 7.78 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 29 R 8.54 3.95 0.00 2.06 2.15 0.00 3.15 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 30 K 8.95 5.19 0.00 1.96 1.92 0.00 1.46 0.00 0.00 2.54 0.00 0.00 3.07 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.58 7.81 31 D 7.81 5.16 0.00 2.85 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 32 S 7.75 4.81 0.00 3.87 3.88 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 33 L 9.17 4.08 0.00 1.60 1.78 0.89 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.42 4.99 0.00 4.01 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 35 V 8.50 3.75 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 0.96 0.00 0.00 0.93 0.00 0.00 36 N 9.00 4.33 0.00 2.84 2.96 0.00 0.00 7.30 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 37 E 8.20 4.04 0.00 2.06 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 0.00 2.52 2.39 0.00 38 F 8.00 3.78 0.00 3.43 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 39 K 8.29 4.03 0.00 2.10 1.92 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 40 E 8.36 4.08 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 41 L 7.49 3.11 0.00 0.90 1.42 0.14 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.63 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 43 T 7.73 5.05 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 44 Q 7.94 4.68 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 45 Q 8.52 4.36 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.24 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 46 L 7.28 4.87 0.00 1.61 1.51 0.87 0.75 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 47 P 0.00 4.54 0.00 2.19 2.17 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 48 H 8.09 4.68 0.00 3.09 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.05 3.93 0.00 1.60 1.64 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.21 4.58 0.00 1.98 1.59 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.31 4.05 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.38 7.81 52 D 7.92 4.79 0.00 2.58 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 53 V 8.48 4.48 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 54 G 8.42 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 9.12 4.69 0.00 4.13 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 56 L 8.05 3.90 0.00 1.68 1.66 0.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.04 4.41 0.00 2.77 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 58 E 8.25 3.88 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 59 K 7.87 3.87 0.00 1.94 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.54 7.81 60 M 8.27 3.58 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 61 K 7.66 3.96 0.00 1.87 1.92 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 62 S 7.77 4.32 0.00 3.99 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 63 L 7.56 4.46 0.00 1.61 1.93 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.17 4.64 0.00 2.75 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 65 V 7.96 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 66 N 7.82 4.49 0.00 2.83 2.89 0.00 0.00 7.47 7.80 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 67 Q 7.94 3.60 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 68 D 8.31 4.76 0.00 2.76 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 69 S 8.73 3.75 0.00 4.04 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 70 E 8.31 4.44 0.00 1.93 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 0.00 2.22 2.35 0.00 71 L 8.68 4.45 0.00 2.09 1.90 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.43 4.51 0.00 2.00 1.87 0.00 1.85 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.58 7.81 73 F 8.35 4.48 0.00 3.04 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 74 N 7.60 4.76 0.00 2.88 2.79 0.00 0.00 7.12 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 75 E 8.07 4.18 0.00 2.20 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 2.45 2.52 0.00 76 Y 8.00 4.24 0.00 3.04 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 77 W 8.03 3.61 0.00 3.59 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 78 R 7.81 4.02 0.00 1.94 2.09 0.00 3.18 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 79 L 7.77 3.88 0.00 1.83 1.36 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.18 3.48 0.87 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 0.87 -0.12 0.28 0.00 0.00 81 G 7.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.09 4.15 0.00 2.14 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 2.58 2.45 0.00 83 L 8.08 4.04 0.00 1.85 1.86 0.81 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.67 4.01 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 85 K 7.92 4.27 0.00 2.03 2.06 0.00 1.41 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.46 7.81 86 E 7.63 4.28 0.00 2.02 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 0.00 2.33 2.43 0.00 87 I 7.56 4.13 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.99 0.00 0.00 88 R 7.73 4.33 0.00 1.75 1.88 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 89 K 8.40 4.65 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 90 K 9.63 4.46 0.00 1.72 1.83 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 91 K 7.84 4.53 0.00 1.64 1.75 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.48 7.81 92 D 7.95 4.81 0.00 2.68 2.63 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 93 L 7.31 4.13 0.00 1.70 1.59 0.91 0.53 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 94 K 8.27 3.98 0.00 1.95 1.94 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.40 7.81 95 I 7.41 2.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.91 0.00 0.00 96 R 8.05 4.12 0.00 1.73 1.83 0.00 3.35 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 97 K 8.67 4.46 0.00 1.72 1.66 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 98 K 8.63 4.16 0.00 1.73 1.64 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81