NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3863 8.3349 115.4131 57.9459 64.3173 172.8162 2 L 4.3815 8.2211 122.1101 51.8795 42.2831 176.2988 3 S 4.4238 9.6346 120.8791 57.7816 66.0185 174.4607 4 D 4.3502 8.6726 121.8575 57.6433 40.4804 179.1661 5 K 3.8746 8.0395 119.2451 59.7497 32.1594 178.3971 6 D 4.6581 8.0633 120.3559 56.8608 40.7011 178.9508 7 K 3.9229 8.3713 119.0133 59.3223 31.9610 179.3196 8 A 3.9546 8.3124 121.1040 54.9750 18.1883 179.5826 9 A 3.9177 8.0057 119.3700 55.2129 18.3841 180.0969 10 V 3.4125 7.8960 116.8534 66.1376 31.4929 178.4599 11 R 3.8960 8.0712 117.6642 59.1682 29.7666 178.9286 12 A 3.9531 8.3503 120.9283 55.0223 18.3185 179.4446 13 L 3.8598 8.2174 119.1924 58.1217 42.2223 178.9420 14 W 3.9796 8.5558 128.6873 60.4128 30.3091 177.5730 15 S 3.9936 8.1716 112.6612 61.4688 61.7888 176.0870 16 K 4.0559 7.4564 120.1870 58.0823 32.2273 178.3226 17 I 3.6474 7.2750 111.0501 60.3541 38.1377 177.6646 18 G 2.0000 7.2350 108.4567 47.1532 0.0000 175.8356 19 K 3.9189 7.6194 119.3211 58.6489 32.1696 178.1845 20 S 4.6980 7.7100 114.0511 58.2195 63.0736 175.5049 21 A 4.1035 7.7394 127.2708 55.6737 17.9938 180.2962 22 D 4.3174 8.1468 116.3452 57.6207 40.9900 178.8199 23 A 4.0474 7.9777 120.6936 55.0206 18.3669 179.5273 24 I 3.7970 8.1131 118.6984 64.5394 37.2293 178.8417 25 G 3.6569 8.4650 106.8314 47.7225 0.0000 175.2026 26 N 4.3114 8.1652 119.5973 56.4436 38.9335 176.4565 27 D 4.2729 8.1398 119.1385 57.2874 41.3013 178.0584 28 A 4.0058 8.3827 121.6379 55.3214 18.4364 179.6954 29 L 3.9985 8.1134 117.5032 57.8817 41.6494 179.9560 30 S 4.1458 8.3786 115.4597 61.5861 62.7079 176.7599 31 R 3.9754 8.3309 121.0987 59.4912 29.7607 178.6468 32 M 4.2825 8.2628 118.1928 58.9040 32.1740 178.3504 33 I 3.8816 7.9053 112.9803 63.5631 37.6324 178.4109 34 V 3.6004 7.7578 119.6577 65.8191 31.5469 177.7113 35 V 3.8104 8.0728 116.5880 63.8553 33.0629 175.5322 36 Y 4.8593 8.1128 115.9536 54.8847 38.1242 174.3025 37 P 4.8458 0.0000 0.0000 65.0211 31.8382 178.4718 38 Q 4.0871 8.2953 117.4432 59.2325 27.9865 178.2066 39 T 4.2891 8.5935 111.6550 63.7729 68.7566 176.1455 40 K 4.4178 8.3103 121.9876 58.7956 31.7806 178.8081 41 T 3.7101 7.4893 109.7419 64.9023 68.5555 175.2936 42 Y 3.9989 7.2179 116.3722 58.6150 38.0930 176.0054 43 F 3.9291 7.6600 118.9285 56.6829 39.5934 177.3299 44 S 4.1682 7.8890 117.1376 60.8983 62.7514 175.1719 45 H 4.3997 7.8770 115.9108 57.2845 28.7578 175.3632 46 W 4.9731 7.7831 120.5175 54.7933 30.0554 174.6500 47 P 4.6039 0.0000 0.0000 63.9896 31.9782 175.7800 48 D 4.9212 7.8543 117.2817 52.1620 39.3283 177.5749 49 V 4.2587 7.5216 123.3927 62.1711 30.9278 174.5694 50 T 4.7835 7.2543 112.2219 58.4606 72.4121 172.5140 51 P 4.3911 0.0000 0.0000 64.1743 31.6954 176.5358 52 G 3.8812 8.7179 109.2179 46.2278 0.0000 174.4229 53 S 4.2712 7.6581 115.2608 57.4142 64.7140 173.2515 54 P 4.1295 0.0000 0.0000 66.3993 30.9335 178.7097 55 H 3.6811 7.7660 114.5860 58.5965 28.3469 178.0261 56 I 3.7391 7.6809 121.7049 64.0109 36.6745 178.2800 57 K 3.8486 8.4745 120.6912 59.6599 31.5153 178.7558 58 A 3.9959 8.1322 121.1106 55.2486 18.1735 179.0781 59 H 4.4148 8.6029 117.2664 59.3865 30.0096 177.5017 60 G 3.7743 8.5024 107.9418 48.0285 0.0000 175.6617 61 K 4.0667 7.8570 120.4401 59.1414 31.9700 179.6951 62 K 4.0022 7.7036 117.8130 59.3654 32.0493 179.5110 63 V 3.5758 8.0126 118.8663 66.5242 31.4339 178.0695 64 M 4.3296 8.3507 118.1760 57.8344 31.7224 178.7890 65 G 3.9004 8.4762 106.8905 47.9497 0.0000 175.8885 66 G 3.5982 8.2767 108.2511 47.5457 0.0000 175.8929 67 I 3.5571 7.7354 121.9677 63.9886 37.0783 178.3111 68 A 3.3639 8.2383 122.0579 54.8434 18.1685 179.4234 69 L 3.8515 8.1024 118.6728 58.2483 41.9437 179.0278 70 A 3.9705 7.8455 119.8614 55.1448 18.4499 179.3996 71 V 3.5236 7.9302 117.1756 66.1229 31.3018 178.4907 72 S 4.2388 7.9323 112.8832 60.4049 62.9684 175.4607 73 K 4.5408 7.8252 121.2583 56.0917 32.5428 178.2533 74 I 3.8272 7.4401 122.1746 63.9209 38.0177 176.7858 75 D 4.5726 8.0189 118.2693 56.2190 41.2138 176.5648 76 D 4.7120 8.1199 118.5832 52.0819 42.8995 175.1953 77 L 3.9446 8.1587 124.4769 56.8368 41.7356 178.2493 78 K 3.8132 7.9295 118.2968 60.0570 32.5794 178.5208 79 T 4.1292 8.2546 115.9615 66.4883 68.1570 177.0532 80 G 3.7225 8.0914 106.7777 47.0626 0.0000 174.7440 81 L 4.5748 7.7635 118.9743 54.3498 42.0120 177.8172 82 M 3.9219 7.7282 120.8547 59.1096 32.0761 178.2159 83 E 4.0878 8.1026 117.8372 59.5130 29.6044 179.2721 84 L 4.0167 7.8047 118.5179 57.5863 41.7139 179.2487 85 S 4.2574 8.1970 114.8299 60.8970 62.2665 176.0757 86 E 3.0157 8.0461 121.1949 59.0969 29.1263 179.2134 87 Q 3.8572 8.0251 119.4608 59.5943 29.2318 178.0613 88 H 4.1275 8.4410 117.1800 58.4794 28.4930 177.8229 89 A 2.5800 7.7300 122.1819 54.7845 18.2542 178.5795 90 Y 4.5350 7.6567 113.3115 59.0524 38.6997 176.9654 91 K 4.2646 7.7829 119.0484 58.2263 33.1280 177.2358 92 L 4.1588 7.8813 116.6781 54.9066 42.3420 177.0055 93 R 3.7550 7.8258 115.9166 56.9503 27.5477 176.7242 94 V 3.2476 7.6417 116.5446 61.7298 32.3758 174.8945 95 D 4.2677 8.8187 127.5082 54.0430 41.4605 175.3346 96 P 3.0918 0.0000 0.0000 64.2585 30.7535 178.0980 97 A 3.9275 8.1845 120.4119 55.2332 18.2001 179.1473 98 N 4.3109 7.9886 114.3547 55.6754 38.5048 177.5517 99 F 4.4693 7.3700 119.8892 60.4266 38.8748 177.5428 100 K 3.9604 7.7970 117.5946 59.4855 31.7971 179.4894 101 I 3.3958 7.3818 119.5106 64.1710 37.0966 178.0752 102 L 3.9775 7.9131 121.1918 58.1379 41.9155 178.6915 103 N 4.3509 8.4014 116.6409 56.5869 38.4868 176.8181 104 H 4.2201 8.2396 119.5826 59.5632 29.8989 177.1487 105 C 4.1815 8.1692 118.5586 62.7669 27.8281 176.1345 106 I 3.7098 8.2504 121.9298 64.3563 36.6587 178.4403 107 L 3.7545 8.0025 119.8038 57.6645 41.4325 179.7666 108 V 3.5197 7.8153 118.1913 65.8547 31.4613 178.2356 109 V 3.5444 7.9136 118.0795 66.2223 31.3388 178.1434 110 I 3.8055 7.8981 119.8357 64.2790 36.5888 178.4102 111 S 4.1391 7.6663 113.7021 61.5179 62.2976 176.0370 112 T 3.9974 7.8662 111.7124 64.7376 68.6355 175.9312 113 M 3.9582 7.9189 119.9665 55.7930 33.6736 176.4713 114 F 5.0105 8.3545 117.6294 55.4386 39.8866 174.0078 115 P 4.4009 0.0000 0.0000 65.8292 31.8555 178.6379 116 K 4.2231 8.1092 117.3990 59.1534 32.3254 178.1364 117 E 4.1363 8.3223 117.2947 59.0120 30.0829 177.5248 118 F 4.6793 8.2244 122.9583 57.0535 37.9076 175.1581 119 T 4.1339 7.3226 115.4519 60.5892 71.2916 173.4890 120 P 4.1162 0.0000 0.0000 65.8410 31.1262 178.8831 121 E 3.9117 8.0457 116.7219 59.0747 29.3821 178.9383 122 A 3.9734 8.1153 121.1317 55.2999 18.4294 179.1668 123 H 3.9139 8.1037 117.3294 59.2725 29.8253 177.8607 124 V 3.6551 7.8649 121.1111 65.0639 31.1185 178.5595 125 S 4.2418 7.8885 116.0523 61.1497 62.6769 176.4113 126 L 4.1464 8.3886 123.4895 58.1192 41.7569 178.5675 127 D 4.4650 8.8269 118.6241 57.2571 41.2271 178.2666 128 K 3.9572 8.4036 119.2974 59.4460 31.9533 179.1058 129 F 4.1860 8.5800 121.1654 61.3875 39.3208 177.3110 130 L 3.6561 8.6275 118.9918 57.6391 41.3711 179.6470 131 S 4.1794 8.4582 115.7707 61.4526 62.6647 176.9350 132 G 3.4922 8.0163 108.4998 47.4917 0.0000 175.9013 133 V 3.2154 7.5746 120.5951 65.6594 31.4987 177.9133 134 A 3.5811 7.7808 120.4381 55.0791 17.9662 179.4061 135 L 3.8841 7.6942 117.4926 58.0359 42.4603 178.6666 136 A 4.0639 8.2545 121.3040 55.0209 17.9768 179.5995 137 L 3.9010 8.2130 117.5612 57.2179 41.6033 178.5820 138 A 4.3985 7.7579 119.2774 52.7380 18.3094 178.6689 139 E 3.9407 7.9459 118.5720 58.9792 29.8252 177.5790 140 R 4.4396 8.0235 115.0281 56.5382 30.4487 177.0184 141 Y 4.1887 8.2196 117.9035 60.7027 38.1776 176.0034 142 R 4.2605 7.8609 119.6164 56.6476 29.1028 174.4720 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 4.39 0.00 4.00 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 2 L 8.22 4.38 0.00 1.77 1.70 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.63 4.42 0.00 4.06 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 4 D 8.67 4.35 0.00 2.70 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 5 K 8.04 3.87 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 6 D 8.06 4.66 0.00 2.91 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 7 K 8.37 3.92 0.00 1.92 1.84 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.63 7.81 8 A 8.31 3.95 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 9 A 8.01 3.92 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 10 V 7.90 3.41 1.78 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 0.17 0.00 0.00 0.83 0.00 0.00 11 R 8.07 3.90 0.00 2.01 1.96 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 12 A 8.35 3.95 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 13 L 8.22 3.86 0.00 1.86 1.86 0.97 1.24 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 14 W 8.56 3.98 0.00 3.36 3.02 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 15 S 8.17 3.99 0.00 3.93 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 16 K 7.46 4.06 0.00 1.71 1.66 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.48 7.81 17 I 7.28 3.65 0.62 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.38 -0.09 0.00 0.00 18 G 7.23 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 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.62 3.92 0.00 1.63 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.36 7.81 20 S 7.71 4.70 0.00 4.15 3.98 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 21 A 7.74 4.10 1.56 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 0.00 0.00 22 D 8.15 4.32 0.00 2.71 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 23 A 7.98 4.05 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 24 I 8.11 3.80 2.12 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 1.60 0.88 1.00 0.00 0.00 25 G 8.47 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 26 N 8.17 4.31 0.00 2.83 2.98 0.00 0.00 6.88 8.61 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 27 D 8.14 4.27 0.00 2.92 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 28 A 8.38 4.01 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 29 L 8.11 4.00 0.00 1.83 1.74 1.03 0.91 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 30 S 8.38 4.15 0.00 4.06 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 31 R 8.33 3.98 0.00 2.04 2.08 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 32 M 8.26 4.28 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 33 I 7.91 3.88 1.92 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 1.73 0.97 0.93 0.00 0.00 34 V 7.76 3.60 2.17 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 0.81 0.00 0.00 0.99 0.00 0.00 35 V 8.07 3.81 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 0.30 0.00 0.00 0.92 0.00 0.00 36 Y 8.11 4.86 0.00 3.17 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 P 0.00 4.85 0.00 2.29 2.35 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 38 Q 8.30 4.09 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 39 T 8.59 4.29 4.49 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 1.45 0.00 0.00 40 K 8.31 4.42 0.00 2.03 1.99 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.64 7.81 41 T 7.49 3.71 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 1.13 0.00 0.00 42 Y 7.22 4.00 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.66 3.93 0.00 2.85 2.31 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 44 S 7.89 4.17 0.00 3.94 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 H 7.88 4.40 0.00 3.31 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.78 4.97 0.00 3.44 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 47 P 0.00 4.60 0.00 2.24 2.24 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 48 D 7.85 4.92 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 49 V 7.52 4.26 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 0.95 0.00 0.00 1.20 0.00 0.00 50 T 7.25 4.78 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 1.24 0.00 0.00 51 P 0.00 4.39 0.00 2.21 2.12 0.00 3.90 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 1.98 0.00 52 G 8.72 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 53 S 7.66 4.27 0.00 4.18 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 54 P 0.00 4.13 0.00 1.97 2.02 0.00 3.70 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 2.03 2.12 0.00 55 H 7.77 3.68 0.00 2.74 1.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.68 3.74 1.85 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 1.47 1.21 0.92 0.00 0.00 57 K 8.47 3.85 0.00 1.76 1.94 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 58 A 8.13 4.00 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 59 H 8.60 4.41 0.00 3.61 3.66 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.50 3.77 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 0.00 0.00 0.00 61 K 7.86 4.07 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.69 7.81 62 K 7.70 4.00 0.00 2.04 1.92 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.71 7.81 63 V 8.01 3.58 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 1.05 0.00 0.00 0.88 0.00 0.00 64 M 8.35 4.33 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.86 0.00 65 G 8.48 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 0.00 0.00 0.00 66 G 8.28 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 0.00 0.00 0.00 67 I 7.74 3.56 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.55 0.00 0.00 68 A 8.24 3.36 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.85 0.00 1.75 1.83 0.91 0.78 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 70 A 7.85 3.97 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 71 V 7.93 3.52 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 0.84 0.00 0.00 0.13 0.00 0.00 72 S 7.93 4.24 0.00 4.09 3.98 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 73 K 7.83 4.54 0.00 1.77 1.82 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.54 7.81 74 I 7.44 3.83 2.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.95 0.00 0.00 75 D 8.02 4.57 0.00 2.71 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 76 D 8.12 4.71 0.00 2.68 2.48 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 77 L 8.16 3.94 0.00 1.65 1.58 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.93 3.81 0.00 1.71 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.52 7.81 79 T 8.25 4.13 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 1.20 0.00 0.00 80 G 8.09 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 0.00 0.00 0.00 81 L 7.76 4.57 0.00 1.64 1.54 0.72 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.73 3.92 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 83 E 8.10 4.09 0.00 2.03 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 0.00 2.39 2.38 0.00 84 L 7.80 4.02 0.00 1.77 1.66 0.88 0.86 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 85 S 8.20 4.26 0.00 3.94 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 86 E 8.05 3.02 0.00 2.07 1.74 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 2.05 2.17 0.00 87 Q 8.03 3.86 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 88 H 8.44 4.13 0.00 3.39 3.67 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.73 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.66 4.53 0.00 2.89 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 91 K 7.78 4.26 0.00 1.69 1.98 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.46 7.81 92 L 7.88 4.16 0.00 1.73 1.59 0.66 0.77 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 93 R 7.83 3.75 0.00 1.98 2.04 0.00 3.40 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 94 V 7.64 3.25 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 -0.03 0.00 0.00 0.45 0.00 0.00 95 D 8.82 4.27 0.00 2.76 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 0.00 0.00 0.00 0.00 96 P 0.00 3.09 0.00 1.94 1.89 0.00 3.38 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.00 97 A 8.18 3.93 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 98 N 7.99 4.31 0.00 2.45 2.73 0.00 0.00 6.93 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 99 F 7.37 4.47 0.00 3.06 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 0.00 100 K 7.80 3.96 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 I 7.38 3.40 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.33 -0.11 0.00 0.00 102 L 7.91 3.98 0.00 1.83 1.72 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.40 4.35 0.00 3.01 2.88 0.00 0.00 6.64 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 0.00 104 H 8.24 4.22 0.00 3.29 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.17 4.18 0.00 3.23 3.11 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 0.00 106 I 8.25 3.71 2.04 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 1.56 0.89 0.96 0.00 0.00 107 L 8.00 3.75 0.00 1.85 1.76 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.82 3.52 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 0.99 0.00 0.00 0.84 0.00 0.00 109 V 7.91 3.54 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 1.08 0.00 0.00 0.98 0.00 0.00 110 I 7.90 3.81 1.33 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 1.45 0.65 0.61 0.00 0.00 111 S 7.67 4.14 0.00 3.96 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 0.00 112 T 7.87 4.00 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 1.22 0.00 0.00 113 M 7.92 3.96 0.00 1.03 1.87 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 114 F 8.35 5.01 0.00 3.20 3.10 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 0.00 115 P 0.00 4.40 0.00 2.22 2.23 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 116 K 8.11 4.22 0.00 1.84 1.95 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 E 8.32 4.14 0.00 2.08 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 2.31 2.40 0.00 118 F 8.22 4.68 0.00 3.09 3.08 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 0.00 119 T 7.32 4.13 4.34 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 1.26 0.00 0.00 120 P 0.00 4.12 0.00 2.12 2.08 0.00 3.54 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 2.08 2.14 0.00 121 E 8.05 3.91 0.00 2.01 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 0.00 2.37 2.40 0.00 122 A 8.12 3.97 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 0.00 123 H 8.10 3.91 0.00 2.27 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.86 3.66 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 0.78 0.00 0.00 0.92 0.00 0.00 125 S 7.89 4.24 0.00 3.85 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 0.00 126 L 8.39 4.15 0.00 2.00 1.94 1.04 1.60 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 0.00 127 D 8.83 4.46 0.00 3.08 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 0.00 128 K 8.40 3.96 0.00 2.03 1.89 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.69 7.81 129 F 8.58 4.19 0.00 3.08 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 0.00 130 L 8.63 3.66 0.00 1.71 1.81 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.46 4.18 0.00 4.08 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 0.00 132 G 8.02 3.49 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 0.00 133 V 7.57 3.22 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 0.62 0.00 0.00 -0.07 0.00 0.00 134 A 7.78 3.58 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 0.00 135 L 7.69 3.88 0.00 1.69 1.76 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.25 4.06 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 0.00 0.00 137 L 8.21 3.90 0.00 1.12 1.29 0.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.76 4.40 1.29 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 0.00 0.00 0.00 139 E 7.95 3.94 0.00 2.00 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 2.32 2.41 0.00 140 R 8.02 4.44 0.00 1.55 1.64 0.00 3.40 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 141 Y 8.22 4.19 0.00 3.09 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 0.00 142 R 7.86 4.26 0.00 1.93 1.94 0.00 3.10 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00