NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4652 8.3049 120.3293 55.4549 33.3933 174.0609 2 S 4.6820 8.3220 114.6636 55.7929 65.1470 170.9231 3 E 4.0981 8.9231 121.2195 59.3569 31.2011 174.3458 4 D 5.0478 7.0307 116.4195 51.6823 42.5745 175.1094 5 T 4.9663 7.9541 121.8973 61.9162 72.7230 173.0656 6 I 4.4885 8.5958 125.7082 59.6380 39.8784 174.5413 7 I 4.7087 8.3990 127.8699 60.0756 38.8184 175.1077 8 G 4.0894 8.8249 112.2640 45.4057 0.0000 171.5425 9 F 6.0625 8.3733 118.8600 55.6996 41.1940 175.3314 10 L 4.5368 8.4796 119.3611 54.0682 43.1907 177.1836 11 G 3.9451 9.7949 110.8139 46.4597 0.0000 173.2953 12 Q 4.6838 7.6947 116.9337 53.0143 33.5956 173.1076 13 P 5.1763 0.0000 0.0000 62.6645 32.7785 175.5641 14 V 4.3587 7.6934 117.5712 62.4581 34.8499 172.0321 15 T 5.0070 8.2019 122.2129 61.8541 71.5751 173.2470 16 L 4.3422 8.5676 127.7263 53.2406 42.9745 174.8099 17 P 4.5058 0.0000 0.0000 62.6615 32.4340 176.6782 18 C 4.9119 8.1987 118.0517 56.6370 46.6605 171.6767 19 H 5.7961 8.2133 122.8111 54.3838 31.8184 172.7150 20 Y 5.1006 8.0781 113.6153 57.7661 39.9494 174.0305 21 L 4.2355 8.4464 119.5151 56.2219 40.8202 178.2085 22 S 4.3739 7.0444 112.4052 57.6796 62.5110 173.7559 23 W 4.7597 7.8934 129.3985 58.3338 31.1305 175.5291 24 S 4.6710 8.0045 117.7239 56.8827 65.3057 175.0005 25 Q 4.1575 9.3466 124.5187 58.3847 28.5833 177.9740 26 S 4.3580 7.9142 109.6534 59.9009 63.2593 174.6062 27 R 4.4868 7.3105 115.2674 55.4865 33.3114 174.4986 28 N 4.8508 8.3341 116.3273 51.3515 41.4407 173.9894 29 S 4.8776 7.5771 114.3550 57.7912 67.4754 171.9667 30 M 5.1664 8.3848 116.2732 55.1270 36.0132 170.7542 31 C 5.4767 8.7795 117.3948 53.8477 43.5566 172.6599 32 W 5.4523 9.0327 120.3408 55.3434 32.1274 174.9771 33 G 4.8152 8.9916 108.7118 44.8216 0.0000 171.4049 34 K 4.1694 8.2713 121.9517 56.5114 32.9963 177.5068 35 G 3.9572 9.0501 112.8842 44.7876 0.0000 173.2495 36 S 4.4942 8.1041 114.5547 58.3467 63.3640 175.4264 37 C 4.3949 9.1433 121.2420 56.5219 40.3555 173.2640 38 P 4.4609 0.0000 0.0000 62.1751 32.2443 175.0856 39 N 4.6058 8.6120 116.1578 55.6108 39.2967 175.8319 40 S 4.4282 7.4889 111.6914 57.3260 65.9517 175.0645 41 K 3.5459 8.3549 122.9710 57.4513 32.8233 174.3721 42 C 4.8081 8.4018 113.6714 56.0076 36.2826 172.8626 43 N 4.9041 8.4395 119.1122 52.5009 40.9157 174.5406 44 A 4.1041 8.5079 121.4523 52.4525 16.2923 177.1457 45 E 4.3769 8.1024 120.0392 57.6707 30.5681 176.0095 46 L 4.4267 8.9516 124.6532 54.7704 44.7903 175.8983 47 L 4.8824 7.6507 119.1400 54.0174 45.7898 174.2397 48 R 5.3125 8.8417 123.0377 55.0685 34.8366 174.4991 49 T 5.6068 9.0095 113.6496 59.0089 71.8994 173.7041 50 D 4.7887 8.7274 117.2579 53.3441 40.0071 175.5426 51 G 4.5724 9.4348 110.6266 46.1034 0.0000 175.8491 52 T 4.5384 7.7235 105.6287 61.1431 70.5381 173.1493 53 R 4.4109 8.3584 117.5469 55.1442 32.3927 173.7800 54 I 4.2997 8.3733 119.8625 61.6164 37.3887 176.1084 55 I 4.6174 9.1208 118.9130 61.2193 39.8199 175.2956 56 S 4.7639 7.7070 115.6745 57.4068 66.6760 172.6497 57 R 4.7529 8.0441 117.8381 55.5385 31.9754 174.4093 58 K 4.2980 8.8620 126.0434 58.7042 33.0183 176.6586 59 S 4.7049 7.7298 113.1643 58.2501 64.4369 177.1573 60 T 4.4235 8.5166 107.7944 62.1696 68.1947 175.1883 61 K 4.0660 8.2693 126.2901 58.0786 33.7417 175.4051 62 Y 5.1021 7.4873 116.4998 56.6119 40.1980 175.0727 63 T 4.5667 8.4271 115.6303 61.2585 71.7649 171.9628 64 L 4.8487 8.4321 125.5341 53.2506 42.7215 176.5619 65 L 4.2404 8.7394 124.5892 56.3863 42.6503 178.0167 66 G 3.8596 7.7535 106.8527 44.8052 0.0000 171.8393 67 K 4.3977 8.3650 119.8820 54.3646 33.2951 177.4029 68 V 3.1528 8.2537 124.9118 65.4485 31.5337 176.6749 69 Q 4.2689 7.4570 115.1592 57.0765 28.8297 176.1021 70 F 5.0116 7.4713 117.9700 57.2854 39.7683 176.7684 71 G 3.7569 7.3234 107.4478 46.0382 0.0000 174.1784 72 E 4.7649 7.2622 120.1772 55.0732 28.4289 176.7321 73 V 4.5349 7.8597 120.8823 60.0584 30.7461 176.0681 74 S 5.0136 7.8983 116.1169 57.4282 64.4081 176.0759 75 L 3.8160 8.4210 127.5658 55.2581 43.3830 175.9576 76 T 4.8854 8.3391 120.9986 61.9583 72.0038 172.7532 77 I 4.3067 8.1556 128.2793 60.2148 38.5164 176.9532 78 S 4.0627 8.9487 125.0019 60.7440 62.6142 173.5627 79 N 5.0826 7.8627 117.5869 51.8243 40.9443 173.0485 80 T 4.8572 8.1847 115.7225 59.9177 71.7810 172.8420 81 N 4.9791 8.6588 119.8581 50.9273 40.3793 175.5801 82 R 3.4332 9.0203 119.2597 59.4212 30.4379 179.1306 83 G 3.6741 7.9096 105.6789 48.2378 0.0000 174.1647 84 D 4.7273 8.7574 118.6139 54.7861 40.9150 176.4338 85 S 4.9379 6.8222 115.2271 57.8361 63.6506 172.4394 86 G 3.7599 8.7664 105.8760 44.4120 0.0000 171.6208 87 V 4.6848 8.1884 117.9240 62.1559 32.9617 175.2694 88 Y 5.1970 9.9601 126.1733 56.4200 41.8242 173.6344 89 C 5.3467 9.6552 121.6160 55.0949 45.2295 171.6471 90 C 4.0279 9.0697 127.3367 54.5753 41.6315 172.2095 91 R 4.7981 8.3530 127.3483 54.6118 32.3257 174.4271 92 I 4.1988 8.1414 128.9563 60.0004 38.2161 175.3278 93 E 4.4017 8.7117 128.3433 55.2602 30.2085 175.9861 94 V 4.2964 7.7794 125.4403 60.1793 33.2916 174.1085 95 P 4.1838 0.0000 0.0000 62.8757 32.2422 175.8983 96 G 3.8591 8.4121 104.5494 43.8539 0.0000 172.3878 97 W 4.2672 8.3731 117.9529 56.0480 31.9152 175.7230 98 F 4.1609 8.5598 120.3159 57.6430 35.8194 174.9429 99 N 4.7428 7.7883 116.6682 52.9622 38.2261 174.9828 100 D 4.4695 7.8306 119.4784 55.0946 42.6195 175.9620 101 V 4.4029 8.2576 121.1384 61.4730 32.8240 174.2217 102 K 4.9333 8.4271 127.3604 54.7590 33.9417 176.2963 103 K 4.5084 8.9696 125.5632 54.8204 35.3435 174.5758 104 N 5.3035 8.9006 125.1880 52.5408 39.9883 174.7682 105 V 4.5009 9.2972 123.1726 61.1302 34.8136 174.6548 106 R 4.6806 8.5611 128.6030 55.9650 32.1948 175.1497 107 L 5.0971 9.0126 125.8478 53.6994 45.2066 174.7207 108 E 4.8450 9.1844 127.0127 55.1851 31.6023 175.5508 109 L 5.2861 8.5035 122.6376 53.2617 44.9454 176.0514 110 R 4.7569 9.7345 123.1580 54.6175 33.9173 174.8459 111 R 4.7351 8.4489 117.9704 54.7132 32.8779 176.0965 112 A 4.6649 7.7016 123.2140 51.4598 20.8495 177.8205 113 L 4.2923 8.2247 109.5937 55.7417 38.9690 177.4334 114 V 3.8925 7.2978 122.9240 63.5819 31.5911 174.9080 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 4.47 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 S 8.32 4.68 0.00 3.93 3.78 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 3 E 8.92 4.10 0.00 2.28 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 0.00 2.29 2.33 0.00 4 D 7.03 5.05 0.00 2.90 2.81 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 5 T 7.95 4.97 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 1.24 0.00 0.00 6 I 8.60 4.49 1.83 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 1.23 1.00 0.90 0.00 0.00 7 I 8.40 4.71 1.83 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 1.27 0.80 0.92 0.00 0.00 8 G 8.82 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 0.00 0.00 0.00 9 F 8.37 6.06 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 10 L 8.48 4.54 0.00 1.51 1.58 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.79 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 12 Q 7.69 4.68 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 13 P 0.00 5.18 0.00 1.88 1.94 0.00 3.75 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 14 V 7.69 4.36 1.94 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 0.75 0.00 0.00 0.87 0.00 0.00 15 T 8.20 5.01 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 1.21 0.00 0.00 16 L 8.57 4.34 0.00 0.94 1.59 -0.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.51 0.00 1.98 2.03 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 18 C 8.20 4.91 0.00 3.05 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 19 H 8.21 5.80 0.00 3.22 3.51 0.00 5.26 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.08 5.10 0.00 3.21 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 21 L 8.45 4.24 0.00 1.78 1.76 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.04 4.37 0.00 3.31 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 23 W 7.89 4.76 0.00 3.97 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 24 S 8.00 4.67 0.00 4.00 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 25 Q 9.35 4.16 0.00 2.10 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.07 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 26 S 7.91 4.36 0.00 3.95 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 27 R 7.31 4.49 0.00 1.68 1.80 0.00 3.09 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 28 N 8.33 4.85 0.00 1.44 1.42 0.00 0.00 6.32 6.18 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 29 S 7.58 4.88 0.00 3.82 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 30 M 8.38 5.17 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 31 C 8.78 5.48 0.00 3.11 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 32 W 9.03 5.45 0.00 3.28 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 33 G 8.99 4.82 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 34 K 8.27 4.17 0.00 1.57 1.57 0.00 0.85 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.00 7.81 35 G 9.05 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 0.00 0.00 0.00 36 S 8.10 4.49 0.00 3.88 3.83 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 C 9.14 4.39 0.00 2.91 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 P 0.00 4.46 0.00 2.31 2.02 0.00 3.80 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 2.15 2.05 0.00 39 N 8.61 4.61 0.00 2.68 2.86 0.00 0.00 6.61 7.63 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 40 S 7.49 4.43 0.00 3.88 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 41 K 8.35 3.55 0.00 1.96 1.87 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.40 7.81 42 C 8.40 4.81 0.00 2.97 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 43 N 8.44 4.90 0.00 2.71 2.68 0.00 0.00 7.04 8.08 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 44 A 8.51 4.10 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 45 E 8.10 4.38 0.00 1.93 1.88 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 2.29 2.50 0.00 46 L 8.95 4.43 0.00 1.20 0.21 0.71 -0.34 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 47 L 7.65 4.88 0.00 1.73 1.67 1.03 1.04 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 48 R 8.84 5.31 0.00 1.72 1.77 0.00 3.29 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.12 0.00 49 T 9.01 5.61 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 1.26 0.00 0.00 50 D 8.73 4.79 0.00 2.76 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 51 G 9.43 4.57 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 0.00 0.00 0.00 52 T 7.72 4.54 4.24 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 1.27 0.00 0.00 53 R 8.36 4.41 0.00 1.93 2.03 0.00 2.78 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 54 I 8.37 4.30 1.89 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 1.50 0.45 0.97 0.00 0.00 55 I 9.12 4.62 1.89 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 1.40 0.68 0.97 0.00 0.00 56 S 7.71 4.76 0.00 3.88 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 57 R 8.04 4.75 0.00 1.84 1.84 0.00 3.65 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 58 K 8.86 4.30 0.00 1.91 1.83 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.51 7.81 59 S 7.73 4.70 0.00 4.06 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 60 T 8.52 4.42 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 1.22 0.00 0.00 61 K 8.27 4.07 0.00 1.57 1.02 0.00 1.39 0.00 0.00 0.94 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.61 1.08 7.81 62 Y 7.49 5.10 0.00 3.00 2.82 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 63 T 8.43 4.57 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 1.23 0.00 0.00 64 L 8.43 4.85 0.00 1.55 1.58 1.11 1.04 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 65 L 8.74 4.24 0.00 1.62 1.71 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.75 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 0.00 0.00 0.00 67 K 8.37 4.40 0.00 2.01 1.77 0.00 2.14 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.47 7.81 68 V 8.25 3.15 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 0.63 0.00 0.00 0.83 0.00 0.00 69 Q 7.46 4.27 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.19 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.00 70 F 7.47 5.01 0.00 3.05 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 71 G 7.32 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 0.00 0.00 0.00 72 E 7.26 4.76 0.00 2.25 1.94 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 2.34 2.43 0.00 73 V 7.86 4.53 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 0.33 0.00 0.00 0.95 0.00 0.00 74 S 7.90 5.01 0.00 3.81 4.07 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 75 L 8.42 3.82 0.00 0.27 0.13 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.34 4.89 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 1.18 0.00 0.00 77 I 8.16 4.31 1.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.69 0.00 0.00 78 S 8.95 4.06 0.00 3.56 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 79 N 7.86 5.08 0.00 2.63 2.61 0.00 0.00 6.79 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 80 T 8.18 4.86 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 1.19 0.00 0.00 81 N 8.66 4.98 0.00 2.82 2.89 0.00 0.00 6.87 7.32 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 82 R 9.02 3.43 0.00 1.90 2.09 0.00 3.13 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 83 G 7.91 3.67 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 0.00 0.00 0.00 84 D 8.76 4.73 0.00 2.82 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 85 S 6.82 4.94 0.00 3.93 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 86 G 8.77 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 0.00 0.00 0.00 87 V 8.19 4.68 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 1.05 0.00 0.00 0.97 0.00 0.00 88 Y 9.96 5.20 0.00 3.01 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 89 C 9.66 5.35 0.00 3.11 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 90 C 9.07 4.03 0.00 1.52 2.41 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 91 R 8.35 4.80 0.00 1.78 1.62 0.00 3.04 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 92 I 8.14 4.20 1.55 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 1.24 0.33 0.24 0.00 0.00 93 E 8.71 4.40 0.00 1.79 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 2.17 2.08 0.00 94 V 7.78 4.30 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 0.71 0.00 0.00 0.74 0.00 0.00 95 P 0.00 4.18 0.00 1.98 1.83 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 96 G 8.41 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 0.00 0.00 0.00 97 W 8.37 4.27 0.00 3.17 2.37 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 98 F 8.56 4.16 0.00 3.33 3.35 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 99 N 7.79 4.74 0.00 2.81 2.97 0.00 0.00 6.13 8.06 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 0.00 100 D 7.83 4.47 0.00 2.60 2.53 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 0.00 101 V 8.26 4.40 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 1.00 0.00 0.00 0.92 0.00 0.00 102 K 8.43 4.93 0.00 1.63 1.67 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.41 7.81 103 K 8.97 4.51 0.00 1.71 1.50 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.41 7.81 104 N 8.90 5.30 0.00 2.69 2.79 0.00 0.00 6.85 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 0.00 105 V 9.30 4.50 2.38 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 1.03 0.00 0.00 1.11 0.00 0.00 106 R 8.56 4.68 0.00 2.15 1.82 0.00 3.19 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 107 L 9.01 5.10 0.00 1.72 1.65 0.94 0.96 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 0.00 108 E 9.18 4.85 0.00 1.98 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 2.31 2.31 0.00 109 L 8.50 5.29 0.00 1.52 1.60 0.99 0.94 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 0.00 110 R 9.73 4.76 0.00 1.92 1.91 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 111 R 8.45 4.74 0.00 1.60 1.72 0.00 3.25 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 112 A 7.70 4.66 0.69 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 0.00 0.00 0.00 113 L 8.22 4.29 0.00 1.73 1.69 0.90 0.40 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 0.00 114 V 7.30 3.89 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 0.76 0.00 0.00 0.85 0.00 0.00