NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4377 8.3349 115.4129 57.7733 64.6511 173.8388 2 K 4.0875 8.0814 119.6068 57.2287 32.6231 175.2880 3 T 4.3079 8.3929 117.0245 64.8787 71.4129 175.2326 4 N 4.4128 7.9469 120.3478 52.9876 39.8107 173.7579 5 P 4.3278 0.0000 0.0000 65.3224 31.4392 179.0574 6 R 3.8480 8.7168 117.7177 59.2400 30.1148 178.5447 7 L 3.9538 8.1158 119.6004 58.1834 41.9840 178.8097 8 S 4.0488 8.0729 112.9337 61.6009 62.4213 176.3824 9 S 4.0911 8.0309 117.8197 61.3855 62.5707 176.2418 10 L 3.8895 8.2679 123.4653 58.4488 41.6343 179.2009 11 I 3.7444 7.8081 119.2960 64.3186 36.9946 178.3536 12 A 4.0177 7.9262 121.6505 55.0625 18.1809 179.4611 13 D 4.2422 8.5767 117.8306 57.5819 41.0587 178.7588 14 L 3.8596 8.3250 119.7556 57.8198 41.5254 180.0173 15 K 3.9821 7.7885 118.0479 59.6876 32.1712 179.2045 16 S 4.0716 8.2021 113.1292 61.5616 61.9646 176.1721 17 A 4.0989 8.1461 123.1519 54.8746 18.0514 179.4565 18 A 4.2342 7.8626 118.1518 54.9572 18.4708 179.9616 19 R 4.0887 7.9964 116.2424 60.1784 30.4895 178.6527 20 S 4.1985 7.9369 114.0033 60.8849 63.3342 175.9571 21 S 4.4207 8.0515 116.6910 58.3542 63.5815 175.5093 22 G 3.8454 8.5748 108.7878 46.0747 0.0000 174.3195 23 G 3.8494 7.2950 107.8610 45.4502 0.0000 173.3701 24 A 4.5153 8.0784 121.2443 52.3970 21.7441 179.0464 25 V 3.4569 7.5133 108.8509 64.3503 31.4492 178.3467 26 W 5.0083 7.6918 118.2577 60.2698 28.9086 178.7243 27 G 3.6370 8.2145 104.9294 47.5524 0.0000 175.2275 28 D 4.2784 8.1052 120.3656 57.3674 41.3386 178.5297 29 V 3.6454 8.7889 119.6991 65.8924 31.6040 177.8104 30 A 4.0235 8.4400 120.9513 55.2481 18.0051 179.5179 31 E 4.1345 8.0292 116.2269 59.4857 29.6752 179.2428 32 R 4.0561 8.0011 118.6384 59.2316 29.9170 178.5273 33 L 3.7554 7.8983 118.0989 57.3871 41.6443 178.9039 34 E 4.1675 7.8568 117.6494 57.9361 29.5776 177.6220 35 K 4.2902 6.9807 117.7446 54.8083 33.0949 174.8465 36 P 4.1832 0.0000 0.0000 63.2287 31.9162 177.6615 37 R 3.5375 8.8291 121.5840 59.3598 30.1151 178.9737 38 R 3.9657 7.9312 112.7885 58.5448 29.4444 177.2555 39 T 4.2936 7.9283 107.7206 62.3248 69.5866 174.9566 40 H 4.3709 7.8565 119.4207 55.6338 29.4597 174.8256 41 A 4.2756 8.1113 123.5935 52.2574 19.7415 177.0254 42 E 4.8259 8.6397 119.3268 54.7272 31.6108 174.4451 43 V 4.4503 8.7034 124.3525 61.0567 34.4263 174.4838 44 N 5.7071 8.3732 123.2667 51.1046 41.0339 176.0268 45 L 4.1121 8.5053 120.0416 58.0636 41.3522 180.0241 46 G 3.7445 8.1762 104.3891 47.9478 0.0000 175.0678 47 R 4.1002 7.8728 120.4318 59.0642 30.2807 178.5048 48 I 3.7630 7.7206 119.1741 64.5271 36.9939 177.8341 49 E 3.9490 8.2846 119.0407 59.1728 29.4344 178.4119 50 R 3.9420 7.4684 117.3829 57.9201 30.1591 176.2843 51 Y 4.7676 7.5890 112.2061 57.3200 39.3751 174.9076 52 A 4.7209 7.8246 123.4487 50.9625 20.3990 176.8505 53 Q 4.6223 8.0424 115.7449 54.2271 31.6145 174.5506 54 E 3.9474 8.6506 119.7030 58.1355 30.0120 176.6592 55 D 4.4371 8.8694 119.3960 54.8166 38.3635 173.2255 56 E 4.7182 7.7655 118.6706 54.4348 32.0818 175.5353 57 T 4.2702 8.5912 125.3292 63.6490 69.7566 174.0683 58 V 4.2906 8.9377 127.9839 62.5556 33.1585 174.7318 59 V 4.7890 9.1286 128.4722 61.2858 33.8937 174.3059 60 V 4.8643 9.0990 129.7658 59.1769 32.7982 174.6909 61 P 4.7108 0.0000 0.0000 60.4284 30.2529 175.3417 62 G 4.2212 7.0976 118.4578 47.4243 0.0000 175.9821 63 K 4.9510 9.1145 127.4684 54.1636 35.6960 173.5437 64 V 4.7845 8.2372 126.5264 61.5769 33.5289 174.5031 65 L 5.0501 9.6582 127.5907 52.3791 45.1945 177.2204 66 G 4.1538 8.6342 107.4012 47.1281 0.0000 173.6293 67 S 4.4730 8.3614 116.7221 58.8602 64.4633 175.4599 68 G 4.1929 8.9028 110.2811 44.9009 0.0000 172.2944 69 V 4.3668 7.9512 117.0333 60.6045 33.7749 174.3676 70 L 4.8601 8.4759 127.6817 53.4768 44.0293 175.4842 71 Q 4.5050 10.1332 125.6605 56.7256 30.8977 176.8742 72 K 3.9805 8.2416 116.0683 57.0607 32.7439 176.9129 73 D 5.4673 8.5109 123.2857 52.4781 39.8905 175.0238 74 V 4.5446 7.7512 115.3975 59.3482 36.1385 174.3924 75 T 4.9811 8.3382 118.6747 62.2010 70.5852 173.7122 76 V 4.9100 8.8695 126.9091 61.0230 34.3077 174.0493 77 A 5.9400 9.8628 129.1173 49.4895 21.5431 174.9678 78 A 5.0400 8.3863 122.6218 49.4402 22.9328 176.8004 79 V 3.5311 8.4822 119.0267 66.1744 32.0860 175.7326 80 D 4.5323 7.0177 116.2025 53.5661 44.2671 174.6370 81 F 5.4513 8.9480 121.1490 55.3521 42.7515 175.1573 82 S 4.3752 8.8883 116.5916 57.9733 63.7746 175.5745 83 G 3.6569 8.8155 107.1099 48.2801 0.0000 176.1677 84 T 3.9174 7.8899 117.3288 66.3741 68.5166 176.1142 85 A 4.0101 8.1501 122.6532 55.5848 18.3058 179.1901 86 E 3.6218 8.3962 116.9888 59.4999 29.3273 179.5742 87 T 3.9257 7.2601 114.6036 66.3761 68.8245 176.7467 88 K 4.4144 8.1478 121.9118 58.9524 32.0511 179.5363 89 I 3.7100 7.9680 120.2136 64.5151 36.9126 178.0559 90 D 4.8296 7.4623 118.6924 55.9004 40.5390 178.1816 91 Q 4.1983 7.8596 119.1288 57.6886 28.8551 177.4751 92 V 4.5213 7.6953 110.2198 60.8307 34.7349 174.4826 93 G 4.0291 8.4519 111.3349 44.6347 0.0000 173.2867 94 E 4.9943 9.5314 125.4670 54.4745 33.3202 173.5445 95 A 4.6223 9.1565 129.5611 50.5982 20.2651 176.5540 96 V 4.5939 9.0944 122.5838 60.7960 35.5313 175.2878 97 S 4.8165 8.6517 120.7488 57.7344 64.0959 175.0381 98 L 3.9272 8.1663 123.6797 57.9993 41.7476 179.3563 99 E 3.9041 8.0078 118.3484 59.2383 29.4524 178.8835 100 Q 3.9959 7.9940 118.0357 58.5476 28.8254 177.9925 101 A 4.0069 8.0202 121.8619 55.6537 18.2324 179.5712 102 I 3.1004 6.9633 116.5361 64.2339 37.0849 177.9782 103 E 4.1215 7.2625 118.3242 59.1272 29.8640 177.9193 104 N 4.6711 8.3530 113.6868 54.1540 40.2638 175.3701 105 N 4.9793 7.9958 116.9119 52.4963 40.9726 173.0114 106 P 4.7251 0.0000 0.0000 64.9442 31.9607 178.1145 107 E 4.1204 8.5657 117.9936 56.4031 30.4542 175.7249 108 G 3.6540 8.0069 107.6394 46.3424 0.0000 172.7626 109 S 4.5988 8.1503 111.2518 57.4943 66.5648 174.2300 110 H 4.0088 8.3798 116.0738 57.4779 25.9839 174.5396 111 V 4.9234 7.3728 116.0479 59.8218 34.9075 176.2417 112 R 4.5134 8.9013 122.9304 54.5064 32.8218 174.3018 113 V 4.4730 8.4437 126.9853 62.6931 32.4556 175.1091 114 I 4.7875 8.7784 128.1842 59.3896 41.0012 175.9583 115 R 4.1818 8.4374 121.8785 56.3978 29.5267 174.8538 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 S 8.33 4.44 0.00 3.99 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 2 K 8.08 4.09 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.39 4.31 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 1.21 0.00 0.00 4 N 7.95 4.41 0.00 2.75 2.71 0.00 0.00 7.23 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 5 P 0.00 4.33 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.72 3.85 0.00 1.90 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 7 L 8.12 3.95 0.00 1.75 1.83 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.07 4.05 0.00 4.04 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 9 S 8.03 4.09 0.00 4.03 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 10 L 8.27 3.89 0.00 1.68 1.82 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.81 3.74 2.04 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 1.45 1.34 0.91 0.00 0.00 12 A 7.93 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 13 D 8.58 4.24 0.00 2.72 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 14 L 8.32 3.86 0.00 1.80 1.96 0.91 0.50 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 15 K 7.79 3.98 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 16 S 8.20 4.07 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 17 A 8.15 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 18 A 7.86 4.23 1.49 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 0.00 0.00 19 R 8.00 4.09 0.00 1.83 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 20 S 7.94 4.20 0.00 3.97 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 21 S 8.05 4.42 0.00 4.24 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 22 G 8.57 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 0.00 0.00 0.00 23 G 7.29 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 0.00 0.00 0.00 24 A 8.08 4.52 1.18 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 25 V 7.51 3.46 1.60 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 0.63 0.00 0.00 -0.41 0.00 0.00 26 W 7.69 5.01 0.00 3.35 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 27 G 8.21 3.64 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 0.00 0.00 0.00 28 D 8.11 4.28 0.00 3.03 2.74 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 29 V 8.79 3.65 2.43 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 1.02 0.00 0.00 1.16 0.00 0.00 30 A 8.44 4.02 1.44 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 31 E 8.03 4.13 0.00 2.12 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 2.47 0.00 32 R 8.00 4.06 0.00 1.95 2.04 0.00 3.32 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.90 3.76 0.00 1.64 1.68 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.86 4.17 0.00 2.17 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 2.35 2.52 0.00 35 K 6.98 4.29 0.00 1.94 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.18 0.00 2.16 1.99 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 2.12 2.14 0.00 37 R 8.83 3.54 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.93 3.97 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.93 4.29 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 40 H 7.86 4.37 0.00 3.25 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.11 4.28 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 42 E 8.64 4.83 0.00 1.80 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 0.00 2.20 2.29 0.00 43 V 8.70 4.45 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 1.02 0.00 0.00 0.93 0.00 0.00 44 N 8.37 5.71 0.00 2.70 2.96 0.00 0.00 7.62 6.74 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 45 L 8.51 4.11 0.00 1.85 1.74 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.18 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 47 R 7.87 4.10 0.00 1.91 2.00 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 48 I 7.72 3.76 2.03 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 1.59 1.06 0.97 0.00 0.00 49 E 8.28 3.95 0.00 1.94 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 2.42 2.31 0.00 50 R 7.47 3.94 0.00 1.67 1.42 0.00 2.33 0.00 0.00 2.88 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.29 0.00 51 Y 7.59 4.77 0.00 2.98 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 52 A 7.82 4.72 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 53 Q 8.04 4.62 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 54 E 8.65 3.95 0.00 1.99 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 2.51 2.35 0.00 55 D 8.87 4.44 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 56 E 7.77 4.72 0.00 1.99 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 2.23 2.39 0.00 57 T 8.59 4.27 4.32 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 0.00 0.00 0.00 1.36 0.00 0.00 58 V 8.94 4.29 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.13 4.79 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 1.07 0.00 0.00 1.13 0.00 0.00 60 V 9.10 4.86 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 1.05 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.71 0.00 2.13 2.23 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 7.10 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 0.00 0.00 0.00 0.00 63 K 9.11 4.95 0.00 1.71 1.55 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.38 7.81 64 V 8.24 4.78 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 1.08 0.00 0.00 0.80 0.00 0.00 65 L 9.66 5.05 0.00 1.66 1.51 0.93 0.77 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 66 G 8.63 4.15 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 0.00 67 S 8.36 4.47 0.00 4.03 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 68 G 8.90 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 0.00 0.00 0.00 0.00 69 V 7.95 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.48 4.86 0.00 1.59 1.51 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.13 4.51 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.24 3.98 0.00 1.75 1.76 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.51 5.47 0.00 2.85 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 74 V 7.75 4.54 2.12 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 0.85 0.00 0.00 0.96 0.00 0.00 75 T 8.34 4.98 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 1.26 0.00 0.00 76 V 8.87 4.91 2.28 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 1.01 0.00 0.00 1.02 0.00 0.00 77 A 9.86 5.94 1.35 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 0.00 0.00 78 A 8.39 5.04 0.53 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 79 V 8.48 3.53 2.15 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 0.70 0.00 0.00 0.87 0.00 0.00 80 D 7.02 4.53 0.00 2.76 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 81 F 8.95 5.45 0.00 2.86 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 82 S 8.89 4.38 0.00 3.96 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 83 G 8.82 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 84 T 7.89 3.92 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 85 A 8.15 4.01 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 86 E 8.40 3.62 0.00 1.95 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 2.19 2.06 0.00 87 T 7.26 3.93 4.39 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 1.20 0.00 0.00 88 K 8.15 4.41 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 89 I 7.97 3.71 1.79 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 1.56 0.83 0.87 0.00 0.00 90 D 7.46 4.83 0.00 2.54 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 91 Q 7.86 4.20 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 92 V 7.70 4.52 2.23 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 0.87 0.00 0.00 0.96 0.00 0.00 93 G 8.45 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 0.00 0.00 0.00 94 E 9.53 4.99 0.00 2.01 1.73 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 2.16 2.22 0.00 95 A 9.16 4.62 0.58 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 0.00 0.00 96 V 9.09 4.59 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.65 4.82 0.00 4.10 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 98 L 8.17 3.93 0.00 1.70 1.58 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.01 3.90 0.00 2.05 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 2.35 2.37 0.00 100 Q 7.99 4.00 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.02 4.01 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 0.00 102 I 6.96 3.10 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.01 0.65 0.00 0.00 103 E 7.26 4.12 0.00 2.05 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 2.30 2.33 0.00 104 N 8.35 4.67 0.00 2.75 2.89 0.00 0.00 6.87 7.61 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 0.00 105 N 8.00 4.98 0.00 2.89 2.87 0.00 0.00 6.84 7.86 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 0.00 106 P 0.00 4.73 0.00 2.31 2.33 0.00 3.90 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 2.07 2.04 0.00 107 E 8.57 4.12 0.00 2.14 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 2.40 2.39 0.00 108 G 8.01 3.65 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 0.00 0.00 0.00 109 S 8.15 4.60 0.00 3.98 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 0.00 110 H 8.38 4.01 0.00 3.34 3.36 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.37 4.92 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 0.47 0.00 0.00 0.85 0.00 0.00 112 R 8.90 4.51 0.00 2.15 1.80 0.00 3.13 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.47 2.04 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 0.86 0.00 0.00 0.89 0.00 0.00 114 I 8.78 4.79 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 0.99 0.00 0.00 115 R 8.44 4.18 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00