NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4054 8.3193 116.7878 59.0476 64.2478 170.9173 2 R 4.2593 8.0238 116.9194 54.2856 32.7648 172.0703 3 L 3.5493 8.1114 120.8558 56.0545 42.8712 177.0425 4 E 5.1620 7.8325 122.6524 54.9173 32.4999 176.2226 5 G 3.7598 7.5509 107.0588 45.6415 0.0000 171.1566 6 W 5.0953 8.3840 122.6083 54.8474 31.7811 175.2925 7 L 4.8259 8.6664 124.0740 52.7843 45.2316 175.3819 8 S 5.6252 8.1124 115.8331 56.7982 64.0206 172.9335 9 L 5.3936 8.6185 125.7357 51.8427 45.6920 173.7041 10 P 4.7679 0.0000 0.0000 63.2298 31.6619 175.6910 11 V 4.3867 8.2146 117.9641 59.5159 34.7669 176.1020 12 R 5.0391 8.4218 123.4131 54.7486 28.6009 175.9315 13 N 4.4546 8.3156 119.7835 55.2829 38.8067 175.5614 14 N 4.6292 7.2977 113.7214 52.8663 40.2812 174.2891 15 T 4.1462 7.1865 118.6375 62.5551 71.3645 174.0965 16 K 4.4094 8.0630 117.9711 57.0991 34.2729 176.6494 17 K 3.9950 7.6672 119.4560 56.0897 33.8324 176.1408 18 F 4.8890 7.0936 117.8603 54.2398 40.3238 174.0539 19 G 3.9385 9.0634 118.0043 45.1818 0.0000 175.3315 20 W 6.3000 8.8996 121.5116 55.0151 33.5434 173.4847 21 V 4.4185 8.4591 121.0693 60.6289 34.0251 173.1721 22 K 4.5306 8.9874 125.9090 56.5302 32.4123 176.4333 23 K 4.9056 9.4352 125.6180 54.5097 35.5768 175.7128 24 Y 3.7692 8.3824 125.1228 57.4161 39.1239 173.9476 25 V 4.3081 8.4231 127.6164 61.1592 33.9244 174.7321 26 I 4.9059 8.6321 127.7845 59.8030 41.0811 174.7322 27 V 4.3338 8.8293 129.3205 61.7553 31.4525 175.8825 28 S 4.2740 8.7720 123.4549 56.8682 63.1569 172.7339 29 S 4.2005 8.4846 118.0700 59.4871 61.6482 173.6424 30 K 3.9161 8.9465 126.7332 56.6874 29.5114 175.3206 31 K 4.6060 8.3048 117.8556 55.5363 36.3510 174.1014 32 I 4.9365 9.0992 125.5948 59.5135 40.3461 174.6203 33 L 5.1877 9.0936 126.8425 52.9683 45.3330 175.5312 34 F 4.8413 8.8384 119.9296 56.0900 43.0810 173.6830 35 Y 5.1804 9.3647 119.9673 56.8709 42.2812 175.5214 36 D 4.8476 8.7730 118.5007 55.4645 42.8469 176.9506 37 S 5.0146 7.4973 113.0988 56.8099 67.9186 175.9495 38 E 3.9084 8.7602 122.0215 59.7237 28.9884 179.5639 39 Q 4.1814 8.1762 117.7168 59.1499 28.7975 178.4521 40 D 4.5627 8.0705 119.3568 56.6919 41.0332 178.6684 41 K 3.3863 7.6669 120.2916 59.2805 31.9756 178.8706 42 E 3.8734 8.1657 116.0784 59.0118 29.5761 177.4771 43 Q 4.2854 7.6316 115.4064 55.0119 28.8832 175.3215 44 S 3.7565 7.8469 111.3989 59.9642 61.2360 172.8862 45 N 4.8978 8.5478 117.6487 50.8036 38.1811 169.8523 46 P 3.9859 0.0000 0.0000 61.7855 31.8141 176.4776 47 Y 4.3206 8.3139 126.3858 60.8700 39.3308 175.8203 48 M 4.7511 7.7690 116.2845 54.5612 35.9849 173.9373 49 V 4.9783 8.0301 122.0982 60.5555 34.4356 173.5757 50 L 4.8324 9.0887 124.6648 52.8394 45.9697 174.9994 51 D 4.9296 8.3452 120.8635 53.0194 42.2141 177.6276 52 I 3.6713 8.6010 125.0724 64.4973 37.3994 177.9335 53 D 4.3667 7.9493 118.1371 56.7472 41.3003 177.2378 54 K 3.9481 8.0100 118.5878 58.3329 32.3998 177.2602 55 L 4.2750 7.2083 118.1228 55.6872 42.0465 176.8160 56 F 4.7353 8.6049 120.9370 59.2772 40.6959 176.4085 57 H 4.6013 7.6035 111.5779 55.1581 32.7389 173.6026 58 V 4.9154 8.8649 122.7279 61.3781 33.3562 174.7277 59 R 4.9789 8.9096 125.9226 53.7290 34.9587 173.0698 60 P 4.7906 0.0000 0.0000 63.4576 32.2199 176.1117 61 V 4.3979 8.2830 115.3076 60.6271 33.9166 174.3536 62 T 4.7450 7.9578 110.2209 59.8449 71.9846 174.1627 63 Q 4.0415 8.6658 120.9977 59.1524 29.0824 178.4601 64 T 4.1096 7.3966 106.6983 64.2358 69.1889 175.4078 65 D 4.5544 8.2022 121.8080 56.8041 41.4375 176.5461 66 V 4.7642 7.4563 109.1298 60.1239 34.6436 173.6950 67 Y 4.6518 8.2449 119.9915 58.7106 39.3566 178.4171 68 R 3.9317 6.1676 115.3585 57.8746 29.7216 176.4252 69 A 4.3300 6.8139 119.0791 52.1392 18.8576 175.2885 70 D 4.9559 8.4403 115.0562 51.9979 42.3010 176.8983 71 A 4.2350 8.8209 127.6217 55.3669 17.9088 180.0117 72 K 4.2840 7.6708 115.7948 59.8643 33.0861 178.9507 73 E 4.0888 8.6340 120.1501 58.5955 29.4350 178.7468 74 I 3.7278 7.2142 119.6587 63.9309 37.1146 176.3723 75 P 4.4275 0.0000 0.0000 64.7036 31.4748 176.8075 76 R 4.4814 8.2013 118.0568 55.9661 30.7405 175.0469 77 I 4.9249 7.7525 120.6379 59.2570 39.9401 174.6919 78 F 5.4122 8.4399 121.2588 54.9894 41.5652 173.6958 79 Q 5.1957 9.1512 120.9680 54.4600 32.2640 174.2626 80 I 4.8210 8.5641 125.7784 59.5345 40.4347 174.3423 81 L 5.0510 8.8789 130.3736 54.6906 43.4153 174.9997 82 Y 5.3405 8.7984 122.5401 55.4262 41.8575 174.0287 83 A 4.5676 8.1977 125.9384 52.4512 19.0537 176.7875 84 N 4.8332 8.9549 120.2980 53.9091 39.0218 175.5474 85 E 4.6226 7.8533 115.7434 56.8539 33.0354 176.5837 86 G 4.3185 8.2485 104.8307 45.8274 0.0000 172.4442 87 I 4.4614 8.3603 120.6503 62.5149 41.2004 177.5389 88 S 4.0110 7.9300 115.3392 61.3882 62.5303 175.9693 89 S 4.1193 8.0753 114.7031 60.2816 62.9329 173.8865 90 A 3.9916 7.3847 121.8949 51.6733 18.1981 177.5131 91 K 4.4173 8.0910 122.9047 55.5029 34.6898 175.0271 92 N 5.5919 8.2540 117.1935 51.3108 41.1002 173.4940 93 L 4.7966 8.9990 120.8912 53.3437 45.0006 174.9480 94 L 4.8293 8.6303 126.6770 53.7334 43.0192 176.1089 95 L 4.6719 8.0629 123.6429 52.6215 45.2853 175.4999 96 L 4.5617 8.1124 125.9001 53.7228 44.1112 174.8242 97 A 5.0270 8.9294 127.4858 49.7677 20.9355 177.0939 98 N 4.2903 9.1532 120.3460 55.4821 37.5663 175.4539 99 S 4.7167 7.7152 112.1027 55.8137 67.2600 174.7261 100 T 3.8956 8.8015 120.8550 67.1843 68.1732 176.3499 101 E 3.9631 8.2686 119.6269 59.6037 29.4921 178.8734 102 E 4.0416 8.1979 119.1281 59.4703 29.6739 178.7430 103 Q 3.7534 8.0249 119.3839 59.1061 29.1052 178.2209 104 Q 3.9593 7.8331 118.8122 58.3929 28.8235 178.3691 105 K 3.8246 8.1500 120.7073 59.1851 32.3149 178.7624 106 W 3.8029 8.4890 119.5152 59.7325 28.9243 178.7040 107 V 3.4942 7.1799 117.7122 66.1557 31.0428 177.9880 108 S 4.0955 7.8773 112.8073 61.2753 62.1729 176.4328 109 R 3.8226 8.4953 121.3179 59.1135 29.7508 178.8509 110 L 3.9966 7.9615 118.8666 58.8373 40.5868 179.4002 111 V 3.8031 8.2498 120.4194 64.5926 31.2897 178.5800 112 K 3.9526 7.8813 118.1702 59.0019 31.9006 179.1398 113 K 4.1095 7.8408 117.7434 57.8178 32.3385 177.8552 114 I 3.8719 7.1812 120.7775 60.5431 37.6320 174.4861 115 P 4.3492 0.0000 0.0000 65.5611 31.9223 177.4610 116 K 4.3579 7.5944 118.2759 55.2743 31.7745 176.4769 117 K 4.1151 7.7891 123.9594 56.7868 32.0977 175.9853 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 8.32 4.41 0.00 3.84 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 2 R 8.02 4.26 0.00 1.64 1.81 0.00 3.20 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.93 0.00 3 L 8.11 3.55 0.00 1.37 1.06 0.27 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.83 5.16 0.00 2.14 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 0.00 2.21 2.50 0.00 5 G 7.55 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 6 W 8.38 5.10 0.00 2.99 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 7 L 8.67 4.83 0.00 1.25 1.17 -1.12 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.11 5.63 0.00 3.99 3.52 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 0.00 0.00 0.00 9 L 8.62 5.39 0.00 1.76 1.58 1.26 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.77 0.00 1.89 1.85 0.00 3.43 0.00 0.00 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 11 V 8.21 4.39 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 0.78 0.00 0.00 1.05 0.00 0.00 12 R 8.42 5.04 0.00 1.81 1.91 0.00 3.28 0.00 0.00 3.91 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 13 N 8.32 4.45 0.00 2.65 2.84 0.00 0.00 7.24 7.97 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 14 N 7.30 4.63 0.00 2.65 2.75 0.00 0.00 6.62 7.46 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 15 T 7.19 4.15 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 1.20 0.00 0.00 16 K 8.06 4.41 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 K 7.67 4.00 0.00 1.74 1.50 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 18 F 7.09 4.89 0.00 2.72 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 19 G 9.06 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.90 6.30 0.00 3.14 2.96 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 21 V 8.46 4.42 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 0.87 0.00 0.00 1.00 0.00 0.00 22 K 8.99 4.53 0.00 1.68 1.98 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.30 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.62 1.51 7.81 23 K 9.44 4.91 0.00 1.83 2.10 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.63 7.81 24 Y 8.38 3.77 0.00 1.97 2.46 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 25 V 8.42 4.31 1.80 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 0.16 0.00 0.00 0.30 0.00 0.00 26 I 8.63 4.91 1.94 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.94 0.00 0.00 27 V 8.83 4.33 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 0.82 0.00 0.00 0.93 0.00 0.00 28 S 8.77 4.27 0.00 3.91 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 29 S 8.48 4.20 0.00 3.83 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 30 K 8.95 3.92 0.00 1.93 1.88 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.33 7.81 31 K 8.30 4.61 0.00 1.78 1.58 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.45 7.81 32 I 9.10 4.94 1.99 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 1.26 0.71 1.05 0.00 0.00 33 L 9.09 5.19 0.00 1.80 1.47 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.84 4.84 0.00 2.88 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 35 Y 9.36 5.18 0.00 2.80 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 36 D 8.77 4.85 0.00 2.68 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 37 S 7.50 5.01 0.00 3.95 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 38 E 8.76 3.91 0.00 2.15 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 2.49 2.54 0.00 39 Q 8.18 4.18 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 40 D 8.07 4.56 0.00 2.95 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 41 K 7.67 3.39 0.00 1.40 1.34 0.00 1.13 0.00 0.00 0.91 0.00 0.00 2.63 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.39 7.81 42 E 8.17 3.87 0.00 2.05 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 2.47 2.39 0.00 43 Q 7.63 4.29 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 44 S 7.85 3.76 0.00 4.00 3.93 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 45 N 8.55 4.90 0.00 2.79 2.93 0.00 0.00 7.10 7.64 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 46 P 0.00 3.99 0.00 2.03 1.89 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 47 Y 8.31 4.32 0.00 3.09 3.18 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 48 M 7.77 4.75 0.00 1.89 1.63 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 49 V 8.03 4.98 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 0.77 0.00 0.00 0.95 0.00 0.00 50 L 9.09 4.83 0.00 1.44 1.27 0.91 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.35 4.93 0.00 2.57 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 52 I 8.60 3.67 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.93 0.00 0.00 53 D 7.95 4.37 0.00 2.58 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 54 K 8.01 3.95 0.00 2.07 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.37 7.81 55 L 7.21 4.27 0.00 1.73 1.69 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.60 4.74 0.00 3.01 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 57 H 7.60 4.60 0.00 3.16 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.86 4.92 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 1.17 0.00 0.00 1.07 0.00 0.00 59 R 8.91 4.98 0.00 1.80 1.78 0.00 3.38 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 60 P 0.00 4.79 0.00 2.13 2.13 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 61 V 8.28 4.40 2.22 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 0.79 0.00 0.00 1.01 0.00 0.00 62 T 7.96 4.74 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 1.24 0.00 0.00 63 Q 8.67 4.04 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 64 T 7.40 4.11 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 1.25 0.00 0.00 65 D 8.20 4.55 0.00 2.80 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 66 V 7.46 4.76 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 1.13 0.00 0.00 67 Y 8.24 4.65 0.00 3.13 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 68 R 6.17 3.93 0.00 1.65 1.51 0.00 2.77 0.00 0.00 2.71 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.15 0.00 69 A 6.81 4.33 1.47 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 0.00 0.00 70 D 8.44 4.96 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.24 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 72 K 7.67 4.28 0.00 2.06 1.96 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.47 7.81 73 E 8.63 4.09 0.00 2.09 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 0.00 2.33 2.50 0.00 74 I 7.21 3.73 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.19 1.04 0.00 0.00 75 P 0.00 4.43 0.00 2.19 2.20 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 76 R 8.20 4.48 0.00 1.87 2.15 0.00 3.13 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 77 I 7.75 4.92 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.99 0.74 0.00 0.00 78 F 8.44 5.41 0.00 3.13 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 79 Q 9.15 5.20 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 80 I 8.56 4.82 2.06 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 1.08 0.00 0.00 81 L 8.88 5.05 0.00 1.92 1.84 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.80 5.34 0.00 2.98 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 83 A 8.20 4.57 1.43 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 0.00 0.00 0.00 84 N 8.95 4.83 0.00 2.81 2.87 0.00 0.00 5.99 7.64 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 85 E 7.85 4.62 0.00 1.97 1.99 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 2.22 2.34 0.00 86 G 8.25 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 87 I 8.36 4.46 1.77 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 1.34 1.02 0.55 0.00 0.00 88 S 7.93 4.01 0.00 3.75 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 89 S 8.08 4.12 0.00 3.89 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 90 A 7.38 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.42 0.00 1.22 1.55 0.00 1.52 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.26 7.81 92 N 8.25 5.59 0.00 2.73 2.78 0.00 0.00 5.64 7.75 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 93 L 9.00 4.80 0.00 1.93 1.61 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.63 4.83 0.00 1.64 1.67 1.05 0.98 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 95 L 8.06 4.67 0.00 0.27 0.87 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.11 4.56 0.00 0.73 0.83 0.50 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.93 5.03 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 98 N 9.15 4.29 0.00 2.80 2.98 0.00 0.00 5.99 7.77 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 99 S 7.72 4.72 0.00 4.04 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 0.00 100 T 8.80 3.90 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 1.27 0.00 0.00 101 E 8.27 3.96 0.00 2.02 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 2.39 0.00 102 E 8.20 4.04 0.00 2.33 2.06 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 2.47 2.61 0.00 103 Q 8.02 3.75 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.86 0.00 104 Q 7.83 3.96 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 105 K 8.15 3.82 0.00 1.80 1.93 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.37 7.81 106 W 8.49 3.80 0.00 3.08 2.79 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 0.00 107 V 7.18 3.49 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 1.19 0.00 0.00 0.41 0.00 0.00 108 S 7.88 4.10 0.00 4.00 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 0.00 109 R 8.50 3.82 0.00 1.75 1.76 0.00 3.22 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 110 L 7.96 4.00 0.00 1.84 1.93 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.25 3.80 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 0.95 0.00 0.00 0.99 0.00 0.00 112 K 7.88 3.95 0.00 2.00 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 113 K 7.84 4.11 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.42 7.81 114 I 7.18 3.87 1.98 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 0.72 1.00 0.00 0.00 115 P 0.00 4.35 0.00 2.16 2.16 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 116 K 7.59 4.36 0.00 1.75 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.38 7.81 117 K 7.79 4.12 0.00 1.88 1.70 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81