NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2405 8.3044 120.3383 55.4274 33.3670 173.2062 2 E 4.1407 8.4615 119.8986 54.9883 30.3614 175.5740 3 H 4.7856 8.4075 126.1821 53.3344 28.7951 173.5666 4 V 3.5076 7.7044 119.3402 63.2334 32.4151 175.1164 5 A 4.5316 8.4030 129.3175 50.6520 19.8154 176.3654 6 F 3.1579 8.5562 124.3816 59.5726 39.6252 175.3459 7 G 3.5659 7.6593 114.8515 45.6080 0.0000 173.0792 8 S 4.0682 7.6058 115.4541 57.8019 62.7935 174.6613 9 E 3.9413 8.8801 128.0464 59.3935 29.5646 178.7051 10 D 5.0454 7.6810 117.8027 52.7380 40.8376 178.2354 11 I 3.4603 7.8588 122.9133 65.2781 37.9585 176.3110 12 E 3.7669 8.1037 117.7519 59.5804 29.0138 178.6444 13 N 4.3055 8.0389 115.7593 56.2688 38.9551 176.9432 14 T 3.9706 7.6684 116.6456 66.8417 68.6732 176.7449 15 L 3.9095 7.9998 120.5687 57.5811 41.2326 179.4724 16 A 4.2251 8.0078 122.7297 55.4220 18.4539 179.6217 17 K 4.2633 7.6454 118.7305 56.5447 32.5366 179.4061 18 M 4.9875 7.0242 117.2242 56.2543 32.6097 175.5648 19 D 4.9312 8.3902 120.9302 52.1099 43.7212 174.9480 20 D 4.3548 8.3082 118.5815 55.6784 41.8462 176.5481 21 G 4.1961 9.1074 114.8117 46.3646 0.0000 175.4305 22 Q 3.9939 8.2607 118.9825 58.8947 28.6615 178.5352 23 L 3.9335 7.9220 120.6796 58.3115 41.9981 178.1065 24 D 4.6640 7.5431 114.2140 55.4540 40.6946 177.7426 25 G 3.7814 7.9719 106.8431 44.9708 0.0000 174.6350 26 L 3.7940 7.0819 120.7459 54.7688 41.9395 177.2114 27 A 4.2208 8.1517 123.9556 53.0564 18.9663 176.6878 28 F 5.1597 6.7265 109.6890 54.1270 41.5358 175.2071 29 G 4.1273 10.0580 107.0210 45.9160 0.0000 172.7510 30 A 5.4560 8.7436 124.1107 50.2838 22.8181 174.8862 31 I 4.8809 8.8517 122.9794 59.4781 41.2393 174.1372 32 Q 4.0928 8.5182 128.3808 54.0133 30.8965 174.2728 33 L 5.2240 8.9679 126.2733 53.1239 46.2968 176.4467 34 D 4.9210 8.5571 120.8306 52.0539 41.9275 176.9753 35 G 3.8364 8.9933 106.8434 49.1451 0.0000 174.1236 36 D 4.7337 8.4795 116.7307 54.4727 41.6080 177.0607 37 G 4.0699 8.7281 108.6044 45.4350 0.0000 172.7480 38 N 4.8945 8.8137 118.0944 52.3919 39.3220 174.5472 39 I 4.2337 8.7283 124.9025 61.6838 37.4763 176.4814 40 L 4.3800 9.3192 128.3865 55.7923 43.4257 177.1640 41 Q 4.6758 7.5913 115.5716 54.5296 33.6210 173.9818 42 Y 5.0059 8.4694 123.4158 56.6737 41.6456 174.0838 43 N 5.0936 8.7548 124.7903 51.6811 39.6959 176.1447 44 A 4.0241 9.3795 121.3348 55.2671 18.1762 179.6966 45 A 3.9382 7.9930 118.6507 55.4826 18.3339 179.2961 46 E 3.9877 8.7741 118.0322 59.4487 29.6040 179.2576 47 G 3.9076 8.2467 105.7315 48.0040 0.0000 175.3390 48 D 4.5506 8.1668 120.2248 56.8374 40.8630 178.3981 49 I 4.0829 7.3961 120.3638 63.7347 37.4538 177.5168 50 T 4.3766 8.3929 109.0296 61.6345 69.4675 176.0757 51 G 4.0018 8.5977 110.0349 45.2225 0.0000 174.1068 52 R 3.9962 7.4140 117.9783 55.8560 30.8105 176.1821 53 D 4.5911 8.3066 120.0203 52.9623 42.0690 175.5407 54 P 4.1133 0.0000 0.0000 65.6419 31.7851 178.4639 55 K 4.1208 8.5485 117.6279 59.3399 31.7509 179.2261 56 Q 4.0232 7.9928 118.6109 59.0407 29.4314 177.9627 57 V 3.6626 7.4312 112.1701 61.9236 31.5708 176.3605 58 I 3.8959 6.5301 119.2991 62.7754 37.2767 176.2023 59 G 4.0066 9.0186 114.4589 45.3054 0.0000 174.0949 60 K 4.1743 7.7272 118.9720 55.7753 33.0137 175.3959 61 N 4.9784 9.0793 120.6940 52.4987 39.9241 175.7602 62 F 3.8645 9.3609 128.8710 61.3479 39.8585 177.2603 63 F 3.5718 7.7779 118.5188 59.2411 39.0037 177.3064 64 K 4.1144 8.1558 118.5620 56.9281 32.3530 175.8953 65 D 4.5918 7.2573 116.3926 55.7843 43.0906 178.0034 66 V 3.4300 7.5677 120.0450 65.6662 32.6122 177.0472 67 A 4.3136 7.4134 122.1783 49.4794 18.1737 175.1092 68 P 4.5832 0.0000 0.0000 64.4199 31.9357 178.9483 69 C 4.5039 8.1450 111.4532 59.3173 29.8974 173.8760 70 T 4.4654 7.7181 110.3542 61.0859 68.9646 174.4440 71 D 5.2396 7.8547 123.8591 53.0665 39.4602 174.5822 72 S 4.7987 7.8521 117.3732 55.8902 66.4467 174.4646 73 P 4.4681 0.0000 0.0000 65.5994 31.2092 179.0583 74 E 3.8821 8.3361 116.6820 58.1933 29.1524 175.6634 75 F 4.4814 7.2838 117.7925 58.7305 42.8186 175.9483 76 Y 4.0582 8.9974 120.4827 60.7693 38.9449 179.0907 77 G 3.6965 8.6326 108.0703 47.2650 0.0000 175.7800 78 K 3.9777 8.0133 120.9544 58.8062 31.9951 178.9052 79 F 4.1372 8.4637 121.0310 61.4408 39.3219 177.1490 80 K 3.5207 8.1342 118.0892 59.3360 31.9262 178.9451 81 E 3.8841 7.9704 119.2833 59.3265 29.5097 179.2501 82 G 3.9177 8.1510 105.8915 46.6407 0.0000 175.9204 83 V 3.2687 7.2702 120.0057 65.6294 31.5751 177.7118 84 A 4.1441 8.0861 119.3548 53.5929 18.5296 178.4755 85 S 4.5939 7.7677 111.2609 57.1742 63.5704 175.7924 86 G 4.0371 7.9178 110.0429 46.0847 0.0000 173.3013 87 N 4.9426 7.8940 117.4808 51.1008 41.1422 173.3093 88 L 4.5869 8.2351 125.1295 54.3985 45.3423 174.2466 89 N 5.1541 8.6590 122.5347 53.5603 40.4089 172.8766 90 T 4.9354 9.1470 119.3358 60.4602 71.8562 171.9378 91 M 5.5265 8.6273 124.4564 53.7150 35.7761 174.5555 92 F 4.9988 8.2816 116.6144 55.9514 41.8083 173.2073 93 E 4.8605 8.8561 119.2464 56.2739 30.7554 174.8848 94 Y 4.7708 8.9539 121.6900 57.0611 43.1345 173.3840 95 T 4.9066 7.7276 120.1679 61.8361 70.5871 173.9313 96 F 5.3111 9.4198 127.1274 57.3174 40.4166 175.2901 97 D 4.6216 8.6436 121.2082 54.4526 41.0423 173.2731 98 Q 4.1051 9.2068 123.0110 57.3304 28.3759 176.0928 99 Q 4.6008 7.3657 112.5929 55.0007 29.2443 174.6136 100 M 4.3192 7.3412 113.9976 54.6908 33.1226 174.0498 101 T 4.0386 8.6063 116.6427 63.0938 68.9110 172.4560 102 P 4.6240 0.0000 0.0000 63.9207 32.1171 175.8544 103 T 4.7218 9.5062 120.9503 61.7961 73.1758 173.3262 104 K 4.7088 8.7236 125.8234 56.2551 33.6379 176.4332 105 V 4.8343 9.0093 117.1314 59.6798 36.9292 173.7611 106 K 4.6723 8.9946 123.6637 54.7480 34.2407 174.9951 107 V 4.8274 8.4912 127.3663 61.2741 34.7266 173.7132 108 H 5.2712 9.4489 126.5964 54.9205 32.8052 171.6333 109 M 5.2306 8.9125 125.9458 53.8224 34.5121 175.2584 110 K 5.6929 8.7223 122.5528 55.6209 36.3340 174.8901 111 K 4.5217 8.9225 128.1776 56.3559 32.9168 176.2179 112 A 4.1411 8.3165 128.2438 51.6559 18.8434 176.3945 113 L 3.6738 9.0257 119.0671 57.3535 42.4295 178.7266 114 S 4.6965 7.6226 115.4572 57.1786 66.6352 174.1782 115 G 3.8269 8.4970 108.7995 45.2620 0.0000 173.8330 116 D 4.7659 8.5164 121.7681 52.9410 39.8934 175.7151 117 S 4.8662 7.4857 114.3448 57.9717 66.0528 171.9648 118 Y 5.0269 9.0949 116.7152 56.1550 42.4535 174.5540 119 W 4.9565 9.2723 122.3092 54.8908 32.4063 175.2866 120 V 4.4844 8.5868 123.4128 61.2666 33.7557 173.9791 121 F 5.7875 9.1414 127.7277 56.0255 41.2062 175.3024 122 V 5.3335 9.2607 123.0872 61.2986 35.3490 174.2052 123 K 4.9831 8.5067 124.1517 55.4694 36.0313 175.5965 124 R 4.4841 8.6635 121.4695 56.4027 31.1026 177.1654 125 V 3.9321 8.0229 114.2963 61.6297 32.1854 175.7403 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 4.24 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 2 E 8.46 4.14 0.00 1.97 1.76 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 2.16 2.34 0.00 3 H 8.41 4.79 0.00 3.15 3.23 0.00 5.97 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.70 3.51 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 0.72 0.00 0.00 0.85 0.00 0.00 5 A 8.40 4.53 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 6 F 8.56 3.16 0.00 2.24 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 7 G 7.66 3.57 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 8 S 7.61 4.07 0.00 3.87 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 9 E 8.88 3.94 0.00 1.96 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 2.31 2.27 0.00 10 D 7.68 5.05 0.00 2.81 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 11 I 7.86 3.46 1.64 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.20 0.68 0.00 0.00 12 E 8.10 3.77 0.00 2.32 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 2.39 2.47 0.00 13 N 8.04 4.31 0.00 2.84 2.92 0.00 0.00 6.91 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 14 T 7.67 3.97 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 1.18 0.00 0.00 15 L 8.00 3.91 0.00 1.26 1.33 -0.21 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.01 4.23 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 17 K 7.65 4.26 0.00 1.86 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.34 7.81 18 M 7.02 4.99 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 19 D 8.39 4.93 0.00 2.68 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 20 D 8.31 4.35 0.00 2.65 2.60 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 21 G 9.11 4.20 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 0.00 0.00 0.00 22 Q 8.26 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 23 L 7.92 3.93 0.00 1.83 1.73 0.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.54 4.66 0.00 2.96 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 25 G 7.97 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 0.00 0.00 0.00 26 L 7.08 3.79 0.00 1.21 0.49 0.69 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.15 4.22 1.33 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 0.00 0.00 28 F 6.73 5.16 0.00 3.40 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 29 G 10.06 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 30 A 8.74 5.46 1.48 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 31 I 8.85 4.88 1.50 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 0.59 0.44 0.70 0.00 0.00 32 Q 8.52 4.09 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 33 L 8.97 5.22 0.00 1.68 1.52 0.29 -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 0.00 0.00 0.00 0.00 34 D 8.56 4.92 0.00 3.00 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 8.99 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 0.00 0.00 0.00 36 D 8.48 4.73 0.00 2.79 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 37 G 8.73 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 0.00 0.00 0.00 38 N 8.81 4.89 0.00 3.13 2.75 0.00 0.00 7.05 8.35 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 39 I 8.73 4.23 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.99 0.00 0.00 40 L 9.32 4.38 0.00 1.25 1.61 0.85 0.87 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 41 Q 7.59 4.68 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 42 Y 8.47 5.01 0.00 2.90 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 43 N 8.75 5.09 0.00 2.98 2.99 0.00 0.00 6.41 7.72 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 44 A 9.38 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 7.99 3.94 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 46 E 8.77 3.99 0.00 1.90 1.52 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 1.47 2.05 0.00 47 G 8.25 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 0.00 0.00 0.00 48 D 8.17 4.55 0.00 2.88 2.78 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 49 I 7.40 4.08 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 1.10 0.00 0.00 50 T 8.39 4.38 4.28 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 1.34 0.00 0.00 51 G 8.60 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 52 R 7.41 4.00 0.00 1.87 1.62 0.00 3.15 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 53 D 8.31 4.59 0.00 2.66 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 0.00 0.00 0.00 54 P 0.00 4.11 0.00 2.14 2.57 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 55 K 8.55 4.12 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 56 Q 7.99 4.02 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 57 V 7.43 3.66 1.76 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 0.44 0.00 0.00 0.11 0.00 0.00 58 I 6.53 3.90 1.94 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 1.22 0.62 0.89 0.00 0.00 59 G 9.02 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 7.73 4.17 0.00 1.83 1.65 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 61 N 9.08 4.98 0.00 2.79 2.72 0.00 0.00 7.08 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 62 F 9.36 3.86 0.00 2.71 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 0.00 0.00 0.00 0.00 63 F 7.78 3.57 0.00 2.57 2.18 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 64 K 8.16 4.11 0.00 1.68 1.79 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.51 7.81 65 D 7.26 4.59 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.43 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 0.64 0.00 0.00 0.79 0.00 0.00 67 A 7.41 4.31 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.58 0.00 2.15 2.21 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 69 C 8.15 4.50 0.00 3.34 3.31 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 0.00 0.00 0.00 0.00 70 T 7.72 4.47 2.99 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 0.72 0.00 0.00 71 D 7.85 5.24 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 72 S 7.85 4.80 0.00 4.27 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 73 P 0.00 4.47 0.00 2.22 2.14 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 74 E 8.34 3.88 0.00 2.22 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 0.00 2.37 2.37 0.00 75 F 7.28 4.48 0.00 3.07 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 76 Y 9.00 4.06 0.00 3.02 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 8.63 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.01 3.98 0.00 1.95 1.88 0.00 1.22 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.60 7.81 79 F 8.46 4.14 0.00 3.44 3.24 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 80 K 8.13 3.52 0.00 1.48 1.59 0.00 1.32 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.19 0.79 7.81 81 E 7.97 3.88 0.00 2.09 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 2.25 2.26 0.00 82 G 8.15 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 0.00 0.00 0.00 83 V 7.27 3.27 1.72 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 0.62 0.00 0.00 -0.85 0.00 0.00 84 A 8.09 4.14 1.21 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 0.00 0.00 0.00 85 S 7.77 4.59 0.00 4.06 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 86 G 7.92 4.04 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 0.00 0.00 0.00 87 N 7.89 4.94 0.00 2.71 2.72 0.00 0.00 6.33 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 88 L 8.24 4.59 0.00 1.77 1.66 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.66 5.15 0.00 2.79 2.73 0.00 0.00 6.92 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 9.15 4.94 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 1.44 0.00 0.00 91 M 8.63 5.53 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 92 F 8.28 5.00 0.00 3.14 3.13 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 93 E 8.86 4.86 0.00 1.94 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 2.25 2.32 0.00 94 Y 8.95 4.77 0.00 3.28 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 95 T 7.73 4.91 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 1.24 0.00 0.00 96 F 9.42 5.31 0.00 3.05 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 97 D 8.64 4.62 0.00 2.77 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 98 Q 9.21 4.11 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 99 Q 7.37 4.60 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 100 M 7.34 4.32 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 101 T 8.61 4.04 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 1.24 0.00 0.00 102 P 0.00 4.62 0.00 1.96 2.08 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 103 T 9.51 4.72 4.42 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 1.28 0.00 0.00 104 K 8.72 4.71 0.00 1.70 1.70 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.46 7.81 105 V 9.01 4.83 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 0.76 0.00 0.00 0.29 0.00 0.00 106 K 8.99 4.67 0.00 1.60 1.35 0.00 1.43 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.28 7.81 107 V 8.49 4.83 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 0.69 0.00 0.00 0.86 0.00 0.00 108 H 9.45 5.27 0.00 3.03 3.03 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 8.91 5.23 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 110 K 8.72 5.69 0.00 1.81 1.76 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.43 7.81 111 K 8.92 4.52 0.00 1.96 1.75 0.00 1.84 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.04 7.81 112 A 8.32 4.14 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 0.00 113 L 9.03 3.67 0.00 1.64 1.67 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.62 4.70 0.00 3.87 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 0.00 115 G 8.50 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 0.00 0.00 0.00 116 D 8.52 4.77 0.00 2.77 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 0.00 117 S 7.49 4.87 0.00 3.78 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 0.00 118 Y 9.09 5.03 0.00 3.21 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 0.00 119 W 9.27 4.96 0.00 3.11 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 0.00 0.00 0.00 0.00 120 V 8.59 4.48 1.77 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 1.09 0.00 0.00 0.84 0.00 0.00 121 F 9.14 5.79 0.00 2.85 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 0.00 122 V 9.26 5.33 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 1.27 0.00 0.00 1.24 0.00 0.00 123 K 8.51 4.98 0.00 1.69 1.78 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.44 1.00 7.81 124 R 8.66 4.48 0.00 1.72 1.91 0.00 3.20 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 125 V 8.02 3.93 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 0.62 0.00 0.00 0.93 0.00 0.00