NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4069 8.3044 120.3273 54.7959 33.4818 174.2046 2 E 3.8684 8.2964 120.4489 55.0941 30.1978 174.6893 3 A 4.0971 9.2236 129.5107 52.5365 19.9752 177.3380 4 L 4.0263 8.5286 122.7156 56.4168 41.9476 178.5473 5 G 3.8723 9.8792 104.3747 44.9571 0.0000 172.3946 6 A 4.6387 7.4200 116.7978 50.7521 22.2501 176.4773 7 D 4.6606 8.8473 122.1155 53.5618 42.3265 175.6321 8 V 4.5656 8.4318 123.6345 61.4736 33.6263 175.1596 9 T 4.3964 7.8485 123.7632 61.7326 68.8920 174.3433 10 Q 3.8799 8.8316 126.2174 56.6213 28.6965 177.5963 11 G 3.9157 8.7886 111.3246 45.5192 0.0000 172.4540 12 L 4.8029 8.0653 120.1425 52.8252 45.0294 174.9782 13 E 5.0396 8.5570 119.0976 53.8806 33.3832 175.2257 14 K 4.1829 8.1139 121.5014 57.8834 32.2796 177.0080 15 G 4.0266 9.1999 115.6267 44.9821 0.0000 173.8709 16 S 4.2730 7.8575 116.3329 58.6310 64.1405 173.3287 17 L 5.0819 8.4490 124.0790 53.4560 42.6641 175.7258 18 I 4.6806 8.9565 117.2917 58.9964 41.5974 174.7161 19 T 4.5153 8.6049 119.0836 63.4514 69.9401 174.2337 20 C 4.7899 8.5240 126.1412 57.0822 31.4249 174.2960 21 A 4.5259 8.2199 134.5711 50.3759 15.9179 174.6633 22 D 5.1302 7.6474 119.3681 53.6200 42.3561 175.4010 23 N 5.0163 8.3682 115.2723 52.8956 37.6321 176.1050 24 T 3.9313 7.6888 111.5841 64.0490 69.4077 175.1062 25 G 3.9619 8.3422 108.9427 45.1631 0.0000 172.8635 26 A 4.7356 7.3957 122.6357 51.4370 20.0999 176.3872 27 R 4.4250 9.0832 122.1428 57.4842 32.2684 175.7429 28 E 5.1126 8.0202 119.3086 54.2667 32.4600 173.9614 29 L 5.1626 9.2075 126.1803 52.7524 45.2853 175.1232 30 K 4.9094 8.9095 124.8424 54.3555 34.5421 175.3168 31 V 3.8466 8.6414 128.6653 63.6041 32.0195 175.4001 32 I 4.2151 8.7515 128.3434 62.7500 38.5877 175.8891 33 S 4.7582 7.7685 115.2910 56.9881 68.1121 172.5169 34 V 4.6278 8.0853 120.2738 61.0124 33.9694 174.3777 35 H 4.0890 9.1473 128.8077 57.5531 30.1375 175.1009 36 G 3.8847 8.6268 113.5789 46.2511 0.0000 172.1349 37 Y 4.5939 7.5429 119.9653 55.6659 40.3156 175.3651 38 S 4.3410 7.2337 120.0298 56.8524 65.6883 173.2860 39 G 4.0136 8.1584 125.5295 45.5660 0.0000 172.4516 40 T 4.5725 8.1174 117.5172 59.7087 70.6325 172.7307 41 K 3.9877 8.4650 125.3406 58.2557 32.2803 176.9242 42 N 4.5927 9.0009 121.8880 53.6758 37.4084 174.6606 43 R 4.0608 7.5312 118.3173 56.1139 30.6488 175.4370 44 H 4.5457 8.7023 123.0528 54.4035 29.5044 173.1406 45 P 4.4179 0.0000 0.0000 63.2909 31.8662 175.2312 46 K 4.7770 7.9949 123.9283 55.4494 34.2780 175.7874 47 A 4.6862 8.9172 124.6843 50.4374 22.7724 175.3963 48 G 4.3159 8.9913 106.3799 44.5928 0.0000 171.3856 49 L 4.1487 8.5674 122.2385 56.8137 42.0917 177.6972 50 G 4.1288 9.0428 115.0278 45.0909 0.0000 172.9437 51 D 4.7995 7.9296 120.0769 53.5552 42.8103 175.4098 52 K 4.7267 8.7089 123.6380 55.2464 33.6728 175.1078 53 I 4.9576 8.6110 121.3863 59.3205 40.9771 174.6936 54 T 4.6231 8.6966 121.4935 63.1670 69.8280 174.1254 55 V 5.0382 9.1867 125.2679 61.1790 35.8978 173.9298 56 S 5.2056 8.8683 118.9511 56.4562 66.4890 173.1470 57 V 4.4056 8.1035 122.0440 62.7508 31.8302 176.4910 58 T 4.0767 8.6073 125.6757 65.7105 69.1666 175.6489 59 K 4.5627 9.0888 119.6717 53.6394 35.8306 177.1561 60 G 3.7132 8.1052 109.3294 46.0213 0.0000 171.8716 61 T 4.1424 7.6266 110.7587 60.6161 69.6992 173.6295 62 P 4.1792 0.0000 0.0000 66.3898 31.3728 178.4451 63 E 4.1365 8.0360 115.4901 59.3253 29.5773 178.5744 64 M 4.2039 7.4125 117.9995 56.8590 32.2901 177.5420 65 R 3.9483 7.6568 118.0352 57.4941 30.7190 178.0886 66 R 4.0563 8.4040 118.3721 56.6077 29.2911 176.8625 67 Q 4.1828 7.5008 117.0718 55.6832 30.1896 175.5851 68 V 4.4388 8.3377 123.2703 61.6851 32.2266 174.5176 69 L 4.9524 8.8472 127.6455 52.8082 46.1426 175.7457 70 E 4.9042 8.5533 118.9837 55.8396 31.7004 175.2139 71 A 5.1009 8.9130 123.3464 50.8556 23.9203 174.9280 72 V 4.4572 8.3206 118.2399 60.9093 34.8089 174.7571 73 V 4.0587 8.6112 128.4511 63.0998 30.7342 176.1533 74 V 3.9096 8.8213 128.6844 64.1694 33.2557 175.7603 75 R 4.0148 7.3998 117.2082 54.2442 34.7185 174.3218 76 Q 4.8972 7.8903 117.3933 55.3133 31.4068 175.7710 77 R 4.2607 9.2805 121.0056 58.6624 30.4318 177.7434 78 K 4.2255 7.8650 118.5527 55.4985 31.3646 175.3381 79 P 4.8660 0.0000 0.0000 62.8215 32.8342 175.0841 80 I 4.8340 8.4817 115.0699 59.1815 41.3029 174.0287 81 R 4.9655 8.9871 124.6618 54.9452 31.8234 175.9205 82 R 4.6891 8.8032 125.7208 54.4383 31.4105 175.7245 83 P 4.2321 0.0000 0.0000 65.6554 31.3779 176.9644 84 D 4.6433 8.1092 115.7314 53.0440 39.3890 177.1902 85 G 4.0825 8.2725 110.1897 46.2231 0.0000 174.8417 86 T 4.0719 7.3768 116.0616 63.8085 69.4768 173.9087 87 R 4.9756 8.4530 123.8699 54.9507 32.4425 175.9289 88 V 4.4310 8.6359 121.8528 60.9432 34.3946 174.4391 89 K 4.9550 8.4655 125.9357 55.1994 35.6918 175.2591 90 F 4.6919 8.7162 119.9930 55.7315 41.7481 176.6766 91 E 4.0582 9.0438 120.7445 58.6687 29.6406 175.1976 92 D 5.0185 7.8142 115.4078 51.8469 43.4285 174.0448 93 N 5.1792 8.6653 114.7054 51.6698 40.8529 174.1412 94 A 5.2163 8.8581 124.6418 50.3085 23.3530 174.4651 95 A 4.9855 9.0548 120.7156 50.1940 23.4382 175.1573 96 V 4.5710 8.1882 119.6718 60.7774 34.3235 175.1811 97 I 4.2335 8.4977 128.9016 61.4952 37.9550 175.3073 98 V 4.8888 8.5535 126.2222 61.3566 35.1340 175.0272 99 D 4.9408 8.1435 124.3663 51.8882 41.7977 176.3459 100 E 3.9257 8.7860 118.2512 59.5417 29.7168 178.0275 101 N 4.6944 8.2401 113.2493 52.6596 38.7469 174.7280 102 E 3.8214 7.8784 115.7540 57.2885 27.7159 173.6873 103 D 5.0681 8.5204 118.7473 51.1003 42.2626 174.5766 104 P 4.7018 0.0000 0.0000 62.8827 31.7874 176.5858 105 R 3.9419 8.6226 122.3002 58.9456 30.4046 176.7518 106 G 4.0773 7.6430 105.6597 44.8344 0.0000 171.7704 107 T 4.3966 8.6546 114.0068 64.2343 70.4970 174.5651 108 E 4.8080 8.1203 119.3883 54.3808 32.7930 174.9853 109 L 4.8735 8.3923 122.5650 53.0088 43.8300 176.0353 110 K 4.2262 8.3453 123.5805 56.3936 33.2290 178.1570 111 G 3.9201 8.8624 113.1968 43.7861 0.0000 170.7469 112 P 4.8681 0.0000 0.0000 62.8693 32.3944 175.5061 113 I 4.7589 8.4440 119.0186 59.5178 42.1679 174.4478 114 A 5.2549 7.9644 126.3136 50.9907 20.0643 179.1306 115 R 3.9811 8.7644 118.5830 59.3579 29.1915 179.3563 116 E 4.0612 8.1786 119.1441 59.0635 29.5318 179.0641 117 V 3.7355 7.8754 117.9845 65.8114 31.4017 177.9466 118 A 4.0945 7.9727 119.2576 55.2096 18.3341 178.9398 119 Q 4.0284 7.7722 116.8330 59.0838 29.2064 178.1069 120 R 4.0263 7.5524 118.8704 57.9572 30.3717 176.5429 121 F 4.6862 8.3162 122.6628 55.3606 39.3739 176.5365 122 G 3.7337 8.7325 113.3549 47.8078 0.0000 173.3204 123 S 4.5014 8.0277 117.1004 59.4746 62.9465 176.0357 124 V 3.7216 7.7550 121.0913 65.3549 31.7078 177.2767 125 A 4.1740 7.6507 119.8779 54.6405 18.9893 178.7226 126 S 4.6621 8.1020 112.6238 57.1911 62.7354 174.6008 127 A 4.3679 7.3536 120.1271 53.5556 24.6102 176.8807 128 A 4.2756 7.9685 120.2716 52.1158 19.2040 177.7445 129 T 4.1139 8.6836 120.3861 66.1287 69.3712 174.9818 130 M 4.8110 7.9185 120.3615 53.3907 35.3348 174.7172 131 I 4.6762 8.5189 123.8269 59.6518 40.2186 175.6895 132 V 4.0449 8.9004 127.2879 62.8497 31.5688 175.4237 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 4.41 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 E 8.30 3.87 0.00 1.93 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 2.24 2.33 0.00 3 A 9.22 4.10 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 L 8.53 4.03 0.00 1.66 1.76 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.88 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 6 A 7.42 4.64 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 7 D 8.85 4.66 0.00 2.67 2.62 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 8 V 8.43 4.57 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 0.86 0.00 0.00 1.00 0.00 0.00 9 T 7.85 4.40 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 10 Q 8.83 3.88 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 11 G 8.79 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 12 L 8.07 4.80 0.00 1.71 1.50 0.88 1.03 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 13 E 8.56 5.04 0.00 1.96 1.81 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 2.21 2.20 0.00 14 K 8.11 4.18 0.00 1.67 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.59 7.81 15 G 9.20 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 16 S 7.86 4.27 0.00 3.84 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 17 L 8.45 5.08 0.00 1.51 1.60 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.96 4.68 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.88 0.00 0.00 19 T 8.60 4.52 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 1.19 0.00 0.00 20 C 8.52 4.79 0.00 2.95 3.04 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 21 A 8.22 4.53 1.32 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 0.00 0.00 0.00 22 D 7.65 5.13 0.00 2.71 2.62 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 23 N 8.37 5.02 0.00 2.81 2.90 0.00 0.00 5.97 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 24 T 7.69 3.93 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 1.24 0.00 0.00 25 G 8.34 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 26 A 7.40 4.74 1.23 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 0.00 0.00 0.00 27 R 9.08 4.43 0.00 1.84 1.94 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 28 E 8.02 5.11 0.00 2.01 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 2.26 2.38 0.00 29 L 9.21 5.16 0.00 1.64 1.48 0.87 0.74 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 30 K 8.91 4.91 0.00 1.75 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.64 3.85 2.21 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 0.83 0.00 0.00 0.94 0.00 0.00 32 I 8.75 4.22 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.89 0.91 0.00 0.00 33 S 7.77 4.76 0.00 3.73 3.72 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 34 V 8.09 4.63 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 0.95 0.00 0.00 0.81 0.00 0.00 35 H 9.15 4.09 0.00 3.21 3.33 0.00 6.10 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 36 G 8.63 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 0.00 0.00 0.00 37 Y 7.54 4.59 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.23 4.34 0.00 3.68 3.47 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 39 G 8.16 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 40 T 8.12 4.57 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 1.23 0.00 0.00 41 K 8.46 3.99 0.00 1.75 1.73 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 9.00 4.59 0.00 2.95 3.02 0.00 0.00 7.03 7.66 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 43 R 7.53 4.06 0.00 1.85 2.08 0.00 3.36 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.70 4.55 0.00 3.29 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.42 0.00 2.05 2.40 0.00 3.73 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 46 K 7.99 4.78 0.00 1.67 1.76 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.20 1.22 7.81 47 A 8.92 4.69 1.12 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 48 G 8.99 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 0.00 0.00 0.00 0.00 49 L 8.57 4.15 0.00 1.75 1.64 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.04 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 51 D 7.93 4.80 0.00 2.81 2.61 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 0.00 0.00 0.00 0.00 52 K 8.71 4.73 0.00 1.99 1.75 0.00 1.61 0.00 0.00 2.07 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.41 7.81 53 I 8.61 4.96 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.13 0.87 0.00 0.00 54 T 8.70 4.62 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 55 V 9.19 5.04 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 1.14 0.00 0.00 0.95 0.00 0.00 56 S 8.87 5.21 0.00 3.87 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 57 V 8.10 4.41 2.21 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.61 4.08 4.31 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 1.27 0.00 0.00 59 K 9.09 4.56 0.00 1.65 1.64 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.11 3.71 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 0.00 0.00 0.00 61 T 7.63 4.14 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 1.24 0.00 0.00 62 P 0.00 4.18 0.00 2.03 2.19 0.00 3.67 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 2.03 2.21 0.00 63 E 8.04 4.14 0.00 1.93 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 0.00 2.31 2.33 0.00 64 M 7.41 4.20 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.71 0.00 65 R 7.66 3.95 0.00 1.95 1.84 0.00 3.21 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 66 R 8.40 4.06 0.00 2.00 2.10 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.50 4.18 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.34 4.44 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.85 4.95 0.00 1.55 1.47 0.90 1.03 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 70 E 8.55 4.90 0.00 2.01 1.79 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 2.34 2.29 0.00 71 A 8.91 5.10 1.11 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 0.00 0.00 72 V 8.32 4.46 1.67 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 0.44 0.00 0.00 -0.23 0.00 0.00 73 V 8.61 4.06 2.20 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 0.83 0.00 0.00 0.91 0.00 0.00 74 V 8.82 3.91 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 0.76 0.00 0.00 0.90 0.00 0.00 75 R 7.40 4.01 0.00 1.56 1.27 0.00 3.23 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.30 0.00 76 Q 7.89 4.90 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 77 R 9.28 4.26 0.00 1.84 2.07 0.00 3.14 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 78 K 7.86 4.23 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.55 7.81 79 P 0.00 4.87 0.00 2.12 1.96 0.00 3.60 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 2.12 2.09 0.00 80 I 8.48 4.83 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 1.00 0.00 0.00 81 R 8.99 4.97 0.00 1.86 1.83 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 R 8.80 4.69 0.00 2.04 1.82 0.00 3.20 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 83 P 0.00 4.23 0.00 2.04 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 2.04 2.10 0.00 84 D 8.11 4.64 0.00 2.78 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 85 G 8.27 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.38 4.07 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 1.19 0.00 0.00 87 R 8.45 4.98 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.64 4.43 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 0.70 0.00 0.00 0.89 0.00 0.00 89 K 8.47 4.95 0.00 1.95 1.71 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.37 7.81 90 F 8.72 4.69 0.00 3.34 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 91 E 9.04 4.06 0.00 1.98 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 0.00 2.31 2.26 0.00 92 D 7.81 5.02 0.00 2.66 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 N 8.67 5.18 0.00 2.62 2.72 0.00 0.00 6.46 7.11 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 94 A 8.86 5.22 1.16 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 0.00 0.00 0.00 0.00 0.00 95 A 9.05 4.99 1.14 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 0.00 0.00 96 V 8.19 4.57 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 0.90 0.00 0.00 0.90 0.00 0.00 97 I 8.50 4.23 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.91 0.00 0.00 98 V 8.55 4.89 1.90 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 0.68 0.00 0.00 0.83 0.00 0.00 99 D 8.14 4.94 0.00 2.94 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 0.00 100 E 8.79 3.93 0.00 1.95 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 2.30 2.34 0.00 101 N 8.24 4.69 0.00 2.88 2.83 0.00 0.00 6.95 7.66 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 0.00 102 E 7.88 3.82 0.00 2.28 2.27 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 2.31 2.34 0.00 103 D 8.52 5.07 0.00 2.70 2.57 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 0.00 104 P 0.00 4.70 0.00 2.15 2.02 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 105 R 8.62 3.94 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.64 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.65 4.40 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 0.00 108 E 8.12 4.81 0.00 1.88 1.81 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 2.29 2.29 0.00 109 L 8.39 4.87 0.00 1.49 1.55 0.93 0.93 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 0.00 110 K 8.35 4.23 0.00 1.60 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.86 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 0.00 112 P 0.00 4.87 0.00 2.29 2.17 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 113 I 8.44 4.76 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.92 0.00 0.00 114 A 7.96 5.25 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.76 3.98 0.00 2.11 2.25 0.00 2.79 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.18 4.06 0.00 2.13 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 2.46 2.52 0.00 117 V 7.88 3.74 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 1.22 0.00 0.00 1.00 0.00 0.00 118 A 7.97 4.09 1.37 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 0.00 0.00 119 Q 7.77 4.03 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 120 R 7.55 4.03 0.00 1.73 1.79 0.00 3.09 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 121 F 8.32 4.69 0.00 3.15 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 0.00 122 G 8.73 3.73 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 0.00 0.00 0.00 123 S 8.03 4.50 0.00 4.08 4.16 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 0.00 0.00 0.00 124 V 7.76 3.72 2.32 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 0.85 0.00 0.00 0.89 0.00 0.00 125 A 7.65 4.17 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 0.00 126 S 8.10 4.66 0.00 4.05 4.08 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 0.00 0.00 0.00 127 A 7.35 4.37 1.31 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 0.00 0.00 128 A 7.97 4.28 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 0.00 129 T 8.68 4.11 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 1.22 0.00 0.00 130 M 7.92 4.81 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.52 4.68 1.90 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 1.26 0.64 0.95 0.00 0.00 132 V 8.90 4.04 2.19 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 0.88 0.00 0.00 0.99 0.00 0.00