NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6266 8.3644 120.2201 53.2619 42.2195 175.7819 5 V 4.2820 8.8767 112.9040 60.1957 34.5123 172.3656 6 L 3.7994 8.6946 128.7027 55.9727 43.6782 176.1482 7 V 4.3069 7.4787 116.5333 60.6515 33.7962 173.9711 8 K 4.5694 8.4122 127.9799 54.0429 33.7313 175.5480 9 W 4.2266 8.7460 135.0000 57.4589 31.5955 175.1880 10 S 4.7058 6.9653 119.5435 56.2805 66.0828 174.7167 11 E 4.2235 8.4970 122.4743 58.2155 29.7439 178.4082 12 D 4.2577 7.7405 117.3053 57.4761 41.3667 176.7242 13 L 3.9100 7.0077 116.6266 55.0962 41.8822 177.0765 14 A 4.6925 7.2088 121.8417 52.9909 19.4310 176.7699 15 N 4.8166 9.7623 121.9780 51.5244 40.9973 174.7529 16 L 4.2643 9.5702 117.8419 53.8570 43.5985 175.8481 17 P 4.2742 0.0000 0.0000 66.4995 30.7172 179.0251 18 S 4.1531 8.5143 114.2035 60.8346 62.9494 176.4747 19 I 3.7848 7.7760 123.2786 64.1585 36.9561 177.7488 20 D 4.4805 8.4877 120.3982 57.6260 40.5383 178.8739 21 T 3.8109 7.6043 110.2836 64.7276 68.4705 176.6061 22 Q 4.4589 7.5372 121.7266 58.6389 28.8571 178.0213 23 H 4.4388 8.2996 117.1838 59.0643 28.8219 177.9928 24 K 3.8385 8.3584 120.6399 59.3690 31.7227 179.3922 25 R 3.6643 7.6443 119.1785 59.1401 29.9631 178.5209 26 L 4.2786 8.2506 119.0793 57.8545 41.5803 179.6795 27 V 3.7460 8.2710 118.4485 66.1874 31.4507 177.8297 28 D 4.3271 8.1760 118.6320 57.5383 40.4661 178.4828 29 Y 4.3808 7.8656 117.3575 61.1105 37.7883 178.3268 30 I 3.8374 8.0840 120.8087 64.6482 37.2241 178.3085 31 N 4.4963 8.5670 117.4043 56.2748 38.4004 177.3255 32 D 4.4131 8.4108 120.7695 57.2167 41.0311 178.5396 33 L 4.0616 8.4546 121.2965 58.1873 42.0423 178.2902 34 Y 4.2023 8.4012 119.7704 60.8703 38.7902 178.0633 35 R 3.6334 8.1512 119.3566 59.4078 30.0672 178.3530 36 A 4.0133 7.9897 119.8177 54.7888 18.3084 179.5697 37 A 3.8795 7.7686 119.3475 55.3403 18.2765 179.9362 38 R 3.7097 7.6668 115.7720 59.3810 30.2134 178.9237 39 R 4.0766 7.8201 115.1497 56.0656 30.3927 176.6825 40 R 3.7406 7.7264 116.7334 57.6769 28.0448 176.9361 41 D 4.7084 7.9404 119.0880 53.0094 41.2972 175.2269 42 M 4.1657 8.2617 126.8815 57.7985 32.1751 178.0589 43 D 4.3625 8.1149 119.1426 57.0617 41.0956 178.4064 44 K 3.9666 8.4071 120.0587 59.2271 32.2019 178.6624 45 A 4.0270 7.9944 121.1146 55.4657 18.3541 179.8410 46 R 3.9767 8.0077 116.5005 59.2335 30.2105 179.0380 47 E 3.9071 8.2818 119.1094 59.3176 29.6719 179.0240 48 V 3.6123 8.4703 118.6407 65.9148 31.5910 177.5609 49 F 3.9285 8.7200 120.8182 61.3563 39.1291 176.4129 50 D 4.3409 8.3016 117.3268 57.5169 40.9593 178.2574 51 A 3.7933 7.7565 120.7290 54.6996 18.2108 179.3149 52 L 3.0770 7.6329 119.2252 57.8171 42.1520 178.9357 53 K 3.5541 7.7860 119.7718 59.6383 32.2203 178.1990 54 N 4.2153 8.1102 116.7003 56.6229 38.4275 176.8055 55 Y 3.9521 8.2942 120.9091 60.4466 38.8114 177.6794 56 A 3.6802 8.1355 122.0029 55.1566 18.4242 179.7470 57 V 3.4084 7.5180 116.5109 66.1899 31.5657 178.1289 58 E 3.9503 7.7963 117.9577 59.1760 29.1835 178.7674 59 H 4.0358 8.0752 118.8867 59.1806 29.9512 177.1720 60 F 4.4206 8.1630 120.1622 60.7930 38.7751 177.9125 61 G 3.6985 8.1565 105.1754 47.8534 0.0000 175.1273 62 Y 4.0791 8.0114 121.7362 60.5118 38.8765 177.8659 63 E 3.2708 8.1901 119.5462 59.3492 29.5519 179.3409 64 E 3.4173 8.2808 118.5670 58.9668 29.3799 179.4872 65 R 3.8472 7.6933 119.0530 59.1948 30.0973 178.4836 66 L 4.0745 7.3975 118.8785 57.7219 41.5467 179.4603 67 F 4.5730 7.7806 117.5234 60.5700 38.7296 177.5802 68 A 4.0311 8.1439 120.2609 55.4498 18.0699 179.2630 69 D 4.1955 8.2712 116.3071 57.0353 40.8461 178.0771 70 Y 4.6123 8.0127 114.0738 56.5034 39.5003 175.7502 71 A 3.8100 7.9150 120.7311 53.1599 17.0009 178.3167 72 Y 3.6837 8.2125 122.7495 57.2598 39.3288 174.8434 73 P 4.0798 0.0000 0.0000 64.8098 31.7561 176.8519 74 E 4.1949 5.9000 116.1310 55.6917 30.1455 177.3869 75 A 3.7858 7.6137 124.1958 55.7126 18.3394 180.4824 76 T 3.8138 7.7923 113.4187 67.0656 68.6022 176.7755 77 R 3.8998 7.7882 119.0514 59.6019 30.2339 178.5149 78 H 4.1355 8.2251 118.0199 59.1012 29.7504 177.1591 79 K 4.1603 8.3841 121.5580 59.6482 32.0525 178.4514 80 E 3.9650 8.2502 119.3656 59.0291 29.6068 178.9570 81 I 3.7958 7.6977 120.1339 64.6691 37.2172 177.9668 82 H 3.8072 8.1937 117.0030 58.8043 28.2054 177.6979 83 R 3.9311 8.3070 120.7026 59.7113 29.8764 178.8081 84 R 3.9283 8.1168 117.7948 59.0584 30.0918 178.7227 85 F 3.8846 8.0619 120.2079 61.0110 39.1492 177.2881 86 V 3.2701 7.7137 117.8844 65.9554 31.3010 177.7970 87 E 3.8461 7.6810 117.9454 59.6660 29.1927 179.4619 88 T 3.3931 7.4192 115.5647 66.4397 68.3484 176.8100 89 V 3.4373 7.2551 120.2702 65.9025 31.2425 177.9935 90 L 4.0318 7.8468 118.0971 57.5052 41.6801 179.2473 91 K 4.0313 7.9225 119.5352 59.4500 32.3090 178.7371 92 W 4.4809 8.2190 119.5309 59.9733 28.9924 177.8503 93 E 3.4734 8.6638 119.4643 59.4039 28.8636 179.2111 94 K 3.9967 8.0727 118.2307 59.5254 31.8887 179.3153 95 Q 4.0739 7.7805 116.7348 58.5412 28.3100 178.3980 96 L 4.0585 7.7035 119.3658 56.7805 41.3973 178.9242 97 A 3.8915 7.5780 121.2946 54.7452 18.2813 178.1215 98 A 4.5381 7.7826 114.3510 51.7712 19.9928 176.9471 99 G 3.7824 7.3737 104.7398 45.1291 0.0000 172.5006 100 D 5.0365 8.0187 118.7135 50.2905 42.4805 174.9295 101 P 4.2800 0.0000 0.0000 65.6446 31.0576 178.7649 102 E 3.9239 8.1803 117.2101 59.5224 29.5842 179.2582 103 V 3.5864 8.1977 118.2656 65.8853 31.4128 178.1965 104 V 3.5374 7.6372 117.6970 66.1949 31.3431 177.9843 105 M 4.1219 7.8971 118.0924 58.5800 31.7638 178.9155 106 T 3.8402 7.7834 115.5716 66.7147 68.5669 176.8142 107 T 3.0061 7.6976 117.5250 66.4017 68.4454 176.3490 108 L 3.9547 7.9104 120.8472 58.2563 41.6630 180.0173 109 R 4.0349 8.0424 117.7587 59.0321 29.8472 179.4992 110 G 3.5064 7.7300 105.5604 47.6481 0.0000 175.6555 111 L 4.5219 8.1293 122.1980 57.6827 41.6935 179.6338 112 V 3.6257 8.5027 118.2215 66.1877 31.0124 177.0715 113 D 4.4282 8.3193 117.7888 57.4437 40.9269 178.5999 114 W 3.9589 8.6821 128.4184 60.2870 30.7035 177.4734 115 L 4.0469 8.6764 120.7352 58.3220 41.5398 178.9577 116 V 3.4579 7.9137 117.9655 66.0208 31.4640 177.3908 117 N 4.0921 7.5650 115.3655 56.8566 38.7733 176.1539 118 H 3.5443 7.7812 119.7797 59.0642 29.5087 177.1484 119 I 3.8178 7.5553 122.8846 64.2844 36.7685 178.4375 120 M 3.9245 7.7995 118.0745 57.6613 31.7996 178.1046 121 K 4.1031 8.1604 118.4954 58.4057 33.0788 178.0334 122 E 4.0324 7.9782 118.8114 59.2459 29.7832 178.7707 123 D 4.1066 7.6418 118.2000 57.0296 40.8124 178.8004 124 K 3.8721 7.5135 118.7866 59.0548 31.6947 179.3673 125 K 4.0286 7.4661 118.6285 58.8832 32.2634 177.8273 126 Y 4.3880 7.3059 115.7830 57.3008 38.2951 177.1354 127 E 4.0088 7.8159 122.0181 59.5174 29.7756 178.2138 128 A 3.9747 8.0106 120.0908 55.4406 18.1982 178.3813 129 Y 4.0165 8.2654 117.4254 61.3081 38.7059 178.5245 130 L 3.7868 8.2355 119.2968 57.4674 41.7732 179.6023 131 R 3.8886 8.2352 118.4070 59.0751 29.7521 178.6165 132 E 4.0287 8.2538 118.3543 58.2197 29.5445 177.9823 133 R 4.5310 6.8449 116.3467 55.4080 30.6796 176.6523 134 G 3.8455 7.6023 105.5061 46.1388 0.0000 174.6738 135 V 3.7966 7.4354 118.7283 62.3532 32.3557 176.1146 136 S 4.1539 8.2817 118.4817 58.7828 62.2885 173.6468 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 4 D 8.36 4.63 0.00 2.72 2.60 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 5 V 8.88 4.28 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 0.87 0.00 0.00 0.98 0.00 0.00 6 L 8.69 3.80 0.00 0.97 1.42 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.48 4.31 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 0.87 0.00 0.00 0.92 0.00 0.00 8 K 8.41 4.57 0.00 1.73 1.68 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.52 7.81 9 W 8.75 4.23 0.00 3.47 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 10 S 6.97 4.71 0.00 3.53 3.51 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 11 E 8.50 4.22 0.00 2.10 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 2.41 2.38 0.00 12 D 7.74 4.26 0.00 2.52 2.47 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 13 L 7.01 3.91 0.00 0.27 0.95 0.13 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.21 4.69 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 15 N 9.76 4.82 0.00 2.72 2.74 0.00 0.00 7.21 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 16 L 9.57 4.26 0.00 1.79 1.82 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.27 0.00 2.27 2.34 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 18 S 8.51 4.15 0.00 4.09 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 0.00 19 I 7.78 3.78 2.22 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.28 1.07 0.00 0.00 20 D 8.49 4.48 0.00 2.83 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 21 T 7.60 3.81 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 1.18 0.00 0.00 22 Q 7.54 4.46 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 23 H 8.30 4.44 0.00 3.55 3.81 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.36 3.84 0.00 1.65 1.54 0.00 1.09 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 25 R 7.64 3.66 0.00 2.02 1.34 0.00 3.00 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.36 0.00 26 L 8.25 4.28 0.00 2.16 1.94 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.27 3.75 2.42 0.00 0.00 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 1.25 0.00 0.00 28 D 8.18 4.33 0.00 2.59 2.49 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 29 Y 7.87 4.38 0.00 3.25 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 30 I 8.08 3.84 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.98 0.00 0.00 31 N 8.57 4.50 0.00 2.95 2.94 0.00 0.00 7.05 7.93 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 32 D 8.41 4.41 0.00 2.99 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 33 L 8.45 4.06 0.00 1.96 2.04 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.40 4.20 0.00 3.12 3.17 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 35 R 8.15 3.63 0.00 2.09 2.10 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 36 A 7.99 4.01 1.40 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 0.00 0.00 37 A 7.77 3.88 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 38 R 7.67 3.71 0.00 1.72 1.81 0.00 3.11 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.92 0.00 39 R 7.82 4.08 0.00 1.89 1.94 0.00 3.36 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 40 R 7.73 3.74 0.00 1.95 2.02 0.00 3.25 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 41 D 7.94 4.71 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.26 4.17 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 43 D 8.11 4.36 0.00 2.82 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 44 K 8.41 3.97 0.00 2.02 1.98 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 45 A 7.99 4.03 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 46 R 8.01 3.98 0.00 2.04 2.01 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 47 E 8.28 3.91 0.00 2.19 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 0.00 2.33 2.33 0.00 48 V 8.47 3.61 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 1.18 0.00 0.00 1.08 0.00 0.00 49 F 8.72 3.93 0.00 3.28 3.21 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 50 D 8.30 4.34 0.00 2.95 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 51 A 7.76 3.79 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 52 L 7.63 3.08 0.00 1.46 1.46 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.79 3.55 0.00 1.37 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.29 7.81 54 N 8.11 4.22 0.00 2.82 2.82 0.00 0.00 6.76 8.30 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 55 Y 8.29 3.95 0.00 3.07 3.03 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 56 A 8.14 3.68 1.13 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 57 V 7.52 3.41 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 1.02 0.00 0.00 0.87 0.00 0.00 58 E 7.80 3.95 0.00 1.89 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 2.26 2.45 0.00 59 H 8.08 4.04 0.00 2.87 3.20 0.00 5.79 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 60 F 8.16 4.42 0.00 3.19 2.94 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 61 G 8.16 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 0.00 0.00 0.00 62 Y 8.01 4.08 0.00 2.96 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 63 E 8.19 3.27 0.00 2.00 1.26 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 2.09 2.35 0.00 64 E 8.28 3.42 0.00 2.07 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 2.44 2.33 0.00 65 R 7.69 3.85 0.00 1.95 1.91 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 66 L 7.40 4.07 0.00 1.47 1.55 0.42 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.78 4.57 0.00 3.24 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 68 A 8.14 4.03 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 69 D 8.27 4.20 0.00 2.41 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 0.00 0.00 0.00 70 Y 8.01 4.61 0.00 3.15 3.14 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 71 A 7.91 3.81 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 72 Y 8.21 3.68 0.00 2.92 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 73 P 0.00 4.08 0.00 1.68 1.91 0.00 2.84 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 74 E 5.90 4.19 0.00 1.16 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 1.73 1.93 0.00 75 A 7.61 3.79 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 76 T 7.79 3.81 4.18 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 1.19 0.00 0.00 77 R 7.79 3.90 0.00 1.77 1.94 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 78 H 8.23 4.14 0.00 3.34 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.38 4.16 0.00 2.13 2.05 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.87 7.81 80 E 8.25 3.97 0.00 2.17 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 0.00 2.32 2.42 0.00 81 I 7.70 3.80 2.15 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.16 1.14 0.00 0.00 82 H 8.19 3.81 0.00 3.26 2.83 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.31 3.93 0.00 2.09 2.08 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 84 R 8.12 3.93 0.00 1.98 1.98 0.00 3.24 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 85 F 8.06 3.88 0.00 2.33 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 86 V 7.71 3.27 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 0.97 0.00 0.00 1.15 0.00 0.00 87 E 7.68 3.85 0.00 2.08 1.88 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 2.27 2.51 0.00 88 T 7.42 3.39 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 -0.01 0.00 0.00 89 V 7.26 3.44 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 1.00 0.00 0.00 -0.26 0.00 0.00 90 L 7.85 4.03 0.00 1.72 1.68 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.92 4.03 0.00 1.79 1.79 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 92 W 8.22 4.48 0.00 3.74 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 93 E 8.66 3.47 0.00 2.44 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 0.00 2.35 2.42 0.00 94 K 8.07 4.00 0.00 1.98 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.66 7.81 95 Q 7.78 4.07 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 96 L 7.70 4.06 0.00 1.61 1.56 0.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.58 3.89 1.28 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 0.00 0.00 0.00 98 A 7.78 4.54 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 99 G 7.37 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 0.00 0.00 0.00 100 D 8.02 5.04 0.00 2.86 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 0.00 101 P 0.00 4.28 0.00 2.15 2.32 0.00 3.58 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 2.09 2.16 0.00 102 E 8.18 3.92 0.00 2.10 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 0.00 2.47 2.30 0.00 103 V 8.20 3.59 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 0.93 0.00 0.00 0.93 0.00 0.00 104 V 7.64 3.54 2.24 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 1.07 0.00 0.00 0.96 0.00 0.00 105 M 7.90 4.12 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.96 0.00 106 T 7.78 3.84 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 1.17 0.00 0.00 107 T 7.70 3.01 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 0.86 0.00 0.00 108 L 7.91 3.95 0.00 1.87 1.76 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.04 4.03 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 110 G 7.73 3.51 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 0.00 111 L 8.13 4.52 0.00 1.94 1.98 1.10 1.46 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 0.00 112 V 8.50 3.63 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 1.08 0.00 0.00 1.02 0.00 0.00 113 D 8.32 4.43 0.00 3.04 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 0.00 114 W 8.68 3.96 0.00 3.64 3.15 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 0.00 115 L 8.68 4.05 0.00 2.15 1.80 1.26 1.06 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 0.00 116 V 7.91 3.46 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 0.84 0.00 0.00 0.93 0.00 0.00 117 N 7.56 4.09 0.00 2.79 2.76 0.00 0.00 6.92 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 0.00 118 H 7.78 3.54 0.00 1.44 2.59 0.00 5.84 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 0.00 119 I 7.56 3.82 1.73 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 1.50 1.15 0.83 0.00 0.00 120 M 7.80 3.92 0.00 1.87 2.12 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 2.47 2.41 0.00 121 K 8.16 4.10 0.00 1.56 1.76 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.36 7.81 122 E 7.98 4.03 0.00 1.48 1.57 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 2.03 2.29 0.00 123 D 7.64 4.11 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.51 3.87 0.00 1.77 1.75 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.55 7.81 125 K 7.47 4.03 0.00 1.86 1.97 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.58 7.81 126 Y 7.31 4.39 0.00 2.56 2.38 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 0.00 127 E 7.82 4.01 0.00 1.97 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 0.00 2.35 2.51 0.00 128 A 8.01 3.97 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 0.00 129 Y 8.27 4.02 0.00 3.25 3.25 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 0.00 130 L 8.24 3.79 0.00 1.77 1.51 0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.24 3.89 0.00 2.06 1.96 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 132 E 8.25 4.03 0.00 1.97 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 2.23 2.30 0.00 133 R 6.84 4.53 0.00 1.34 1.89 0.00 2.74 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 134 G 7.60 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 0.00 135 V 7.44 3.80 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 0.60 0.00 0.00 -0.05 0.00 0.00 136 S 8.28 4.15 0.00 3.84 3.61 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