NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9675 8.3393 109.7382 45.1858 0.0000 173.6199 1 Q 4.0836 8.2167 126.4681 54.8745 25.8751 171.2707 2 V 4.2265 7.3687 121.9081 62.2608 33.7593 173.2615 3 Q 4.6279 9.1202 127.0923 53.6015 32.1148 173.6327 4 L 4.9875 8.3532 124.9623 52.9348 44.7486 175.3819 5 V 4.4526 8.7879 124.5880 61.0361 34.4207 174.0887 6 E 4.9740 8.8573 128.1736 55.7851 31.2607 175.2818 7 S 5.0264 9.5106 119.8258 56.7635 64.7744 173.2462 8 G 4.1623 8.3155 113.3584 44.7809 0.0000 169.6138 9 P 4.5406 0.0000 0.0000 62.9014 33.6726 177.4113 10 G 3.8313 8.8478 110.1167 44.1155 0.0000 173.6450 11 L 5.0680 8.6245 115.5575 53.3056 44.2717 177.2320 12 V 4.5412 8.6811 121.8912 61.1308 35.3911 174.0204 13 A 4.9161 8.4086 127.6931 50.0422 19.7895 175.4302 14 P 4.3673 0.0000 0.0000 63.4181 32.7598 177.9402 15 S 3.8796 8.7997 114.9845 59.2442 61.8214 171.3461 16 Q 4.6467 7.4818 119.9342 54.5499 31.3531 174.1718 17 S 5.0839 8.3669 113.7310 56.8076 65.5553 173.5778 18 L 4.4177 8.8144 124.2666 54.6046 44.1783 176.2040 19 S 4.5319 8.2023 119.6912 58.2307 65.3237 173.5177 20 I 4.6916 8.4092 126.0745 59.7964 40.1413 175.0761 21 T 5.1021 9.0498 121.0125 62.2166 72.6694 172.3528 22 C 5.1574 9.6422 127.4301 55.2873 43.3527 171.7838 23 T 4.5325 8.5049 123.3861 62.7033 69.4197 173.8983 24 V 4.8190 8.1720 126.8861 60.9326 34.1278 175.0099 25 S 4.3475 9.7479 122.1336 56.8210 65.3149 173.3663 26 G 3.4273 8.3640 117.4605 44.6898 0.0000 173.1461 27 I 4.5317 6.9932 112.2725 58.5726 40.3307 174.4523 28 S 4.7203 8.2814 115.5172 56.8019 64.7278 175.3931 29 L 4.1068 8.5412 124.1393 57.7569 42.1144 179.4071 30 S 4.4342 7.6196 109.6420 60.5151 62.9095 176.4297 31 R 4.0770 7.7815 119.7653 57.9196 30.1634 175.5264 32 Y 4.8160 7.9005 114.5592 56.0613 40.8067 175.0660 33 N 4.8866 9.0671 120.8357 52.0384 40.7694 174.0890 34 V 4.5369 8.2546 123.9976 61.4830 33.7140 174.0820 35 H 5.1204 9.1183 125.6074 54.2741 31.2583 174.0737 36 W 5.1406 8.7939 122.2398 55.2301 31.1003 175.4382 37 V 5.1424 9.3978 124.5689 61.2093 35.5628 174.0534 38 R 5.0552 8.7161 118.7690 54.6478 33.1928 173.6998 39 Q 5.1241 9.0539 121.5582 54.8571 32.8936 174.0178 40 S 5.0405 8.5880 120.5569 56.5235 67.3165 173.7990 41 P 4.2870 0.0000 0.0000 65.2913 31.5394 177.8789 42 G 3.7536 8.1062 107.3136 47.4807 0.0000 174.4931 43 K 4.2640 8.1005 116.3152 55.1516 33.3280 178.5143 44 G 3.8188 8.0086 108.8408 45.9890 0.0000 172.1868 45 L 4.6428 8.4289 120.0199 54.2184 43.0056 175.9093 46 E 4.7943 8.8193 121.5084 54.3780 33.5683 174.3497 47 W 4.6197 9.1237 135.0000 57.1633 31.2491 175.4026 48 L 4.1266 8.3444 127.6497 55.5913 43.0320 176.7689 49 G 2.9882 5.8290 102.4297 47.2961 0.0000 170.7787 50 M 4.9028 7.8428 116.6039 54.8454 35.4118 173.7420 51 I 4.9741 8.1323 118.9523 59.2571 41.1954 174.7103 52 W 4.6245 9.4979 130.5655 56.2956 30.0190 177.6051 53 G 4.1718 9.3789 109.8554 48.3255 0.0000 175.7834 54 G 3.7933 8.2739 105.3861 46.1364 0.0000 174.1173 55 G 3.9512 8.8446 108.1311 45.4653 0.0000 173.5545 56 S 4.6369 7.9764 114.6932 57.5876 63.8865 172.7422 57 I 5.0737 8.4295 126.5709 59.6147 39.7950 174.7582 58 E 4.7906 8.8643 124.5669 54.8679 33.3437 174.4110 59 Y 5.1665 8.6060 120.5024 55.7522 41.6031 174.9057 60 N 4.9274 9.2319 121.6622 53.1795 39.9625 173.8375 61 P 4.2980 0.0000 0.0000 66.0552 31.3181 178.3301 62 A 4.0452 7.9311 120.7212 53.9395 18.4393 177.9674 63 L 4.5878 7.7641 113.5022 54.1583 42.6619 177.9621 64 K 3.7167 7.8877 121.4865 59.6103 32.2037 177.7000 65 S 4.2149 8.2155 111.2192 61.4282 62.6161 175.6726 66 R 4.0678 7.7877 119.2021 57.4093 30.4093 176.4825 67 L 4.3364 7.5678 117.4186 54.5295 43.3359 176.7935 68 S 4.5493 7.9256 113.0329 57.8369 66.2071 173.7210 69 I 5.3708 9.1787 128.2773 59.8599 40.5427 174.7964 70 S 4.9322 8.9616 119.6002 57.8065 67.0725 172.3274 71 K 5.0039 8.4996 118.3654 56.6135 35.8690 176.1128 72 D 4.6272 9.1745 119.9030 53.0582 42.2215 174.8978 73 N 4.3297 8.9357 122.1352 55.9929 39.1708 176.6940 74 S 4.2457 8.3100 111.3700 61.2698 62.7741 175.2731 75 K 4.0820 8.0188 118.7368 55.4511 32.8713 175.4646 76 S 3.7074 8.0691 112.0668 60.3975 61.0539 170.6155 77 Q 4.8517 7.5419 117.1273 54.0128 33.3900 175.5883 78 I 4.6759 8.0865 122.5858 59.5109 40.3078 174.7865 79 F 5.6521 9.4579 125.1293 56.0216 42.4823 174.3396 80 L 4.7712 8.5876 121.7328 53.6353 44.7799 175.1447 81 K 4.9880 8.5246 126.0988 55.4915 35.2955 174.4827 82 M 4.7773 8.4932 127.4523 54.1490 34.2122 175.1472 82A N 4.9641 8.1218 117.7749 51.5330 41.4247 174.8676 82B S 3.6158 8.4135 114.6716 59.1520 60.4275 172.6380 82C L 4.1203 8.3161 121.2523 55.4048 42.8382 177.2972 83 Q 4.8363 8.7620 119.2391 53.9967 32.5241 176.3596 84 T 4.0058 8.6826 110.5476 65.1202 68.5863 176.0064 85 D 4.4296 8.0234 120.4645 57.0616 40.9560 176.7608 86 D 4.6786 8.4498 117.1593 55.2284 40.9482 176.5381 87 S 4.5803 7.7267 116.2310 58.6768 63.6033 173.5280 88 A 4.2514 8.7145 124.7809 52.1458 23.8602 174.4223 89 M 4.7252 8.4845 119.4816 54.6257 33.2298 174.6425 90 Y 4.7752 9.0163 125.8036 57.7307 39.4390 174.7270 91 Y 5.7171 9.6897 121.7875 56.3810 42.8887 171.9211 92 C 4.9096 8.8676 114.7499 53.6840 41.6402 172.9171 93 V 4.5144 8.1169 120.2961 61.0915 34.7065 173.8693 94 S 5.1872 8.6130 122.5248 56.7650 65.7624 172.6167 95 Y 4.8257 9.3543 119.3540 55.3880 41.4603 175.0102 96 G 3.8474 7.9129 112.3368 46.5920 0.0000 171.5274 97 Y 4.6676 8.2062 118.4791 56.8476 39.7512 176.1579 98 G 4.1714 9.5688 108.3184 45.3945 0.0000 172.9637 99 G 4.4794 7.7680 107.2225 43.7029 0.0000 172.4437 100 D 4.7311 8.7945 116.9484 55.1494 41.2196 176.9200 100A R 4.6850 7.5057 117.0577 54.3766 34.3242 174.7098 100B F 5.0021 8.9698 122.9526 59.7785 40.6039 175.0487 101 S 5.2453 7.3545 110.3389 55.5679 66.4900 173.3748 102 Y 4.4551 7.4068 115.7010 56.1409 41.5534 174.0142 103 W 4.4591 8.8135 135.0000 55.4971 32.1601 176.2838 104 G 4.4984 8.2378 114.8390 46.0800 0.0000 173.2630 105 Q 4.3181 8.5945 118.7425 58.3068 29.0284 178.1038 106 G 3.8633 10.1801 103.9103 44.9724 0.0000 172.4846 107 T 4.5984 8.3722 113.0350 60.0554 70.5965 172.3711 108 L 4.6952 8.5882 130.8075 54.4218 44.0610 175.0250 109 V 4.5625 9.2149 126.4935 61.6025 33.9647 174.3108 110 T 4.8771 9.2852 125.7266 61.6782 70.1727 172.4688 111 V 4.4731 8.8348 127.2108 61.7702 32.3397 176.0442 112 S 4.4238 9.0505 122.2076 59.3271 63.4710 176.6706 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 0 G 8.34 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 0.00 0.00 0.00 1 Q 8.22 4.08 0.00 2.20 2.14 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 2.29 2.36 0.00 2 V 7.37 4.23 1.65 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 -0.66 0.00 0.00 0.70 0.00 0.00 3 Q 9.12 4.63 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 4 L 8.35 4.99 0.00 1.54 1.40 0.78 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.79 4.45 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 1.07 0.00 0.00 0.94 0.00 0.00 6 E 8.86 4.97 0.00 2.14 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 2.66 2.46 0.00 7 S 9.51 5.03 0.00 3.85 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 8 G 8.32 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 0.00 0.00 0.00 9 P 0.00 4.54 0.00 2.13 2.12 0.00 3.64 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 1.85 1.84 0.00 10 G 8.85 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 11 L 8.62 5.07 0.00 1.50 1.58 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.68 4.54 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 0.88 0.00 0.00 0.86 0.00 0.00 13 A 8.41 4.92 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 14 P 0.00 4.37 0.00 2.07 1.99 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 15 S 8.80 3.88 0.00 4.02 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 16 Q 7.48 4.65 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 17 S 8.37 5.08 0.00 3.77 3.75 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 18 L 8.81 4.42 0.00 1.56 1.48 0.66 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.20 4.53 0.00 3.69 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 20 I 8.41 4.69 1.33 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 1.02 0.00 0.00 21 T 9.05 5.10 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 1.16 0.00 0.00 22 C 9.64 5.16 0.00 2.60 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 23 T 8.50 4.53 4.21 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 1.16 0.00 0.00 24 V 8.17 4.82 1.92 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 0.55 0.00 0.00 0.72 0.00 0.00 25 S 9.75 4.35 0.00 3.74 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 26 G 8.36 3.43 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 0.00 27 I 6.99 4.53 1.38 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.27 0.00 0.00 28 S 8.28 4.72 0.00 4.07 4.06 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 29 L 8.54 4.11 0.00 1.94 1.77 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.62 4.43 0.00 4.09 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 31 R 7.78 4.08 0.00 1.93 2.39 0.00 3.30 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 32 Y 7.90 4.82 0.00 2.85 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 33 N 9.07 4.89 0.00 2.50 2.32 0.00 0.00 6.43 8.45 0.00 0.00 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 8.25 4.54 1.85 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 0.47 0.00 0.00 0.79 0.00 0.00 35 H 9.12 5.12 0.00 2.99 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.79 5.14 0.00 3.03 2.89 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 37 V 9.40 5.14 2.14 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 1.27 0.00 0.00 0.94 0.00 0.00 38 R 8.72 5.06 0.00 0.82 1.08 0.00 2.38 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 39 Q 9.05 5.12 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 40 S 8.59 5.04 0.00 3.73 3.69 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 41 P 0.00 4.29 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 42 G 8.11 3.75 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 0.00 0.00 0.00 43 K 8.10 4.26 0.00 1.77 1.88 0.00 2.23 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 44 G 8.01 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 0.00 0.00 0.00 45 L 8.43 4.64 0.00 1.74 1.76 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.82 4.79 0.00 1.93 1.85 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 2.28 2.41 0.00 47 W 9.12 4.62 0.00 3.36 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 48 L 8.34 4.13 0.00 1.59 1.54 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.83 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 0.00 0.00 0.00 0.00 50 M 7.84 4.90 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.54 0.00 51 I 8.13 4.97 1.88 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 1.28 1.57 0.94 0.00 0.00 52 W 9.50 4.62 0.00 3.47 3.26 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 0.00 53 G 9.38 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 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 0.00 0.00 0.00 55 G 8.84 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 56 S 7.98 4.64 0.00 3.97 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 57 I 8.43 5.07 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.38 0.00 0.00 58 E 8.86 4.79 0.00 2.16 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 2.40 2.56 0.00 59 Y 8.61 5.17 0.00 2.89 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 60 N 9.23 4.93 0.00 3.12 2.79 0.00 0.00 7.20 7.36 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 61 P 0.00 4.30 0.00 2.32 2.40 0.00 3.96 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 2.18 2.08 0.00 62 A 7.93 4.05 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 63 L 7.76 4.59 0.00 1.67 1.67 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.89 3.72 0.00 2.05 1.94 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.50 7.81 65 S 8.22 4.21 0.00 3.97 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 66 R 7.79 4.07 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 67 L 7.57 4.34 0.00 1.43 1.57 0.98 0.97 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 68 S 7.93 4.55 0.00 3.96 3.63 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 69 I 9.18 5.37 1.88 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 1.40 1.13 1.19 0.00 0.00 70 S 8.96 4.93 0.00 3.94 4.06 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 71 K 8.50 5.00 0.00 1.90 1.84 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.50 7.81 72 D 9.17 4.63 0.00 3.03 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 73 N 8.94 4.33 0.00 2.78 2.91 0.00 0.00 7.19 7.57 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 74 S 8.31 4.25 0.00 3.99 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 75 K 8.02 4.08 0.00 1.88 1.96 0.00 1.98 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 76 S 8.07 3.71 0.00 4.04 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 77 Q 7.54 4.85 0.00 1.69 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 78 I 8.09 4.68 1.58 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.58 0.87 0.00 0.00 79 F 9.46 5.65 0.00 3.02 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 80 L 8.59 4.77 0.00 0.27 0.13 0.60 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.52 4.99 0.00 1.79 1.55 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.26 7.81 82 M 8.49 4.78 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 82A N 8.12 4.96 0.00 2.55 2.66 0.00 0.00 7.15 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82B S 8.41 3.62 0.00 3.93 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 82C L 8.32 4.12 0.00 1.68 1.57 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.76 4.84 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 84 T 8.68 4.01 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 1.21 0.00 0.00 85 D 8.02 4.43 0.00 2.71 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 86 D 8.45 4.68 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 87 S 7.73 4.58 0.00 3.82 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 88 A 8.71 4.25 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 89 M 8.48 4.73 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.30 0.00 90 Y 9.02 4.78 0.00 3.07 2.97 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 91 Y 9.69 5.72 0.00 2.85 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 92 C 8.87 4.91 0.00 1.98 1.25 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 93 V 8.12 4.51 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 -0.22 0.00 0.00 -0.71 0.00 0.00 94 S 8.61 5.19 0.00 3.89 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 95 Y 9.35 4.83 0.00 2.62 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 0.00 0.00 0.00 0.00 96 G 7.91 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 97 Y 8.21 4.67 0.00 2.95 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 98 G 9.57 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 4.48 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 0.00 100 D 8.79 4.73 0.00 2.78 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 100A R 7.51 4.69 0.00 1.11 1.38 0.00 3.17 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 100B F 8.97 5.00 0.00 3.00 2.98 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 0.00 0.00 0.00 0.00 101 S 7.35 5.25 0.00 2.72 2.84 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 0.00 102 Y 7.41 4.46 0.00 2.70 2.69 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 0.00 103 W 8.81 4.46 0.00 3.33 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 0.00 104 G 8.24 4.50 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 0.00 105 Q 8.59 4.32 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.51 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 106 G 10.18 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 0.00 107 T 8.37 4.60 4.44 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 1.25 0.00 0.00 108 L 8.59 4.70 0.00 1.81 1.51 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.21 4.56 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 0.76 0.00 0.00 0.56 0.00 0.00 110 T 9.29 4.88 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 0.00 111 V 8.83 4.47 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 0.78 0.00 0.00 0.91 0.00 0.00 112 S 9.05 4.42 0.00 3.96 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