NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6277 8.1233 123.5956 52.4606 21.1750 178.4558 3 S 4.0521 7.9941 113.1436 59.9279 63.3739 174.7937 4 M 4.0206 8.3188 121.7962 58.6275 32.1744 178.2243 5 R 3.9515 7.6776 117.2571 59.3115 30.2487 178.5564 6 V 3.3715 7.6753 117.6568 66.0012 31.4057 178.0210 7 V 3.6118 8.2096 118.3415 65.7254 31.2684 177.9385 8 K 3.9358 8.0439 119.3894 59.6423 32.0738 178.5620 9 E 4.0944 8.8512 119.2267 59.4322 29.3523 179.2599 10 L 3.2811 8.3187 120.2525 58.0573 41.9369 178.7831 11 E 3.8947 8.2820 117.6466 59.4724 29.7227 178.9736 12 D 4.4732 8.3514 119.0421 57.4556 40.4485 178.8888 13 L 4.0464 8.0686 119.4309 57.4896 41.3758 178.8432 14 Q 3.9417 8.1200 116.1828 57.0032 28.8193 177.2131 15 K 4.4263 7.6119 118.8606 56.4820 34.6169 176.8088 16 K 4.5832 7.1992 117.4451 53.8732 32.5296 173.7403 17 P 4.4246 0.0000 0.0000 61.1942 32.9768 175.7543 18 P 4.2071 0.0000 0.0000 61.6465 31.6861 175.6817 19 P 4.3128 0.0000 0.0000 64.8559 31.4992 176.4716 20 Y 4.6322 7.1172 116.3997 56.4137 38.3821 174.6196 21 L 5.1075 7.8251 121.9720 53.8334 43.8433 175.3723 22 R 4.6609 8.4246 124.4791 54.8388 33.3606 175.1066 23 N 4.2586 8.4560 112.6871 54.3432 35.8951 173.9927 24 L 4.7861 7.9144 120.2815 54.8421 42.8672 175.6523 25 S 4.6316 8.9710 121.8403 57.1836 68.0967 173.9660 26 S 4.9021 8.3528 116.1765 57.7788 64.1525 173.5211 27 D 4.4258 8.9877 120.7769 54.2174 41.6084 176.7399 28 D 4.3736 8.9106 123.0706 56.9513 41.3002 176.6623 29 A 4.7528 8.3937 120.8496 50.9716 20.1341 175.1842 30 N 4.6341 7.9840 116.9007 54.5604 42.0742 175.4605 31 V 4.0134 8.5115 125.3127 63.3575 32.4193 176.4394 32 L 4.3116 8.5968 120.7732 54.6531 42.8495 175.9198 33 V 4.9780 7.7242 119.2930 61.0491 34.2905 174.3091 34 W 5.5007 9.3896 128.4105 55.8008 31.5865 174.9952 35 H 5.5042 9.4941 120.4109 54.1195 31.3048 172.7932 36 A 5.1626 8.5718 122.9880 51.1866 23.5690 174.6394 37 L 5.0436 9.0943 119.9990 52.9546 44.1493 175.7292 38 L 4.8985 9.4273 127.5775 54.6399 43.5896 175.6153 39 L 5.1911 9.0236 127.3705 52.2848 41.9167 174.2690 40 P 4.4981 0.0000 0.0000 62.3816 32.2831 176.9972 41 D 4.6303 8.9914 120.8905 55.4313 42.3049 177.0820 42 Q 4.2255 8.3393 120.7312 55.2784 29.6803 173.3988 43 P 4.7922 0.0000 0.0000 62.3015 32.4507 174.0114 44 P 4.7249 0.0000 0.0000 62.9246 31.7008 176.8031 45 Y 4.4844 7.6319 118.1649 61.1201 37.8053 177.2413 46 H 5.4178 8.0626 113.2212 55.9860 29.1314 176.1214 47 L 4.1567 7.6245 120.4589 56.7813 41.8843 175.9591 48 K 4.6842 7.3919 114.1078 54.8003 36.1944 175.2571 49 A 4.8290 8.8871 120.9982 50.6375 23.0340 175.4387 50 F 5.3088 8.8940 117.6188 55.6698 42.5446 174.2127 51 N 5.3221 9.5919 123.7504 53.0476 40.0297 173.6485 52 L 5.0728 9.0676 125.8991 53.8208 44.1954 175.2181 53 R 4.8104 9.1988 121.9541 54.8209 32.5104 174.3911 54 I 4.3058 8.5305 128.4379 60.1464 39.0421 175.1082 55 S 4.9244 8.7898 124.7417 56.8713 64.4583 173.4288 56 F 4.4108 9.1794 125.2427 55.7642 39.7701 174.7527 57 P 4.5317 0.0000 0.0000 61.3491 31.9765 175.6942 58 P 4.4619 0.0000 0.0000 65.1504 31.5706 176.7311 59 E 4.7428 8.0674 118.4922 56.2320 29.8165 174.9073 60 Y 4.4657 7.8718 120.1490 57.5138 38.9361 173.7729 61 P 3.6743 0.0000 0.0000 62.3180 31.6648 177.5738 62 F 4.3889 8.0389 120.4775 60.0249 39.0188 175.8341 63 K 4.5590 7.9208 119.5236 53.3837 33.8233 174.2521 64 P 2.9700 0.0000 0.0000 61.0893 31.7348 174.1145 65 P 4.0814 0.0000 0.0000 62.8573 32.1266 175.5920 66 M 4.1220 8.5547 125.0716 54.8101 32.8253 175.1714 67 I 4.8082 8.0798 125.2738 59.3671 39.1596 175.3792 68 K 4.7535 8.7056 124.8686 55.1134 36.6147 174.9535 69 F 4.8077 8.8071 120.1206 57.2526 39.3878 176.5050 70 T 4.1752 9.2566 120.9917 66.8800 69.0598 175.2054 71 T 4.6708 7.8962 116.6750 62.5220 71.5313 173.5755 72 K 4.6780 8.4648 122.1916 55.4820 34.5225 175.7788 73 I 4.0949 8.1481 125.5327 58.9299 39.6581 175.8359 74 Y 4.1140 8.7513 132.4326 56.4654 37.1634 172.8617 75 H 5.1696 7.7376 121.3693 51.7983 33.2917 172.2682 76 P 4.2638 0.0000 0.0000 64.5852 31.1631 176.8747 77 N 4.8180 7.7693 115.1301 52.8354 39.1330 174.2095 78 V 4.5474 7.5701 117.8986 60.8370 34.4321 174.9780 79 D 4.7093 8.3055 125.7637 52.0370 40.6720 176.5033 80 E 4.0637 8.4993 118.2610 59.1990 29.7502 178.7352 81 N 4.4669 9.2571 116.3323 56.6158 39.0228 175.0672 82 G 3.4406 8.4507 110.8067 45.3274 0.0000 172.9535 83 Q 4.6330 8.2388 120.3380 54.7389 29.9302 174.8158 84 I 4.9382 7.8769 112.2843 59.6362 40.8079 175.1629 85 C 4.5796 8.3727 118.4085 57.6013 28.5357 171.9829 86 L 4.5649 7.8433 122.6967 52.0424 42.1803 175.8285 87 P 4.2935 0.0000 0.0000 65.4496 31.4963 177.9904 88 I 3.9723 7.8957 117.4026 63.1136 38.0776 175.5545 89 I 4.6344 7.6637 113.9631 60.3865 37.3611 175.1928 90 S 4.6461 7.7785 115.2927 58.0048 65.0367 174.4650 91 S 4.4010 8.4133 114.7064 59.2019 62.7475 174.6569 92 E 4.4089 7.4318 120.5874 56.5641 30.4569 175.4464 93 N 4.7256 7.7284 116.3851 52.7763 42.2692 172.7998 94 W 5.1079 8.2470 132.3893 56.6195 33.7308 173.3184 95 K 4.0299 6.8607 123.3998 53.5746 34.3164 175.6305 96 P 3.9922 0.0000 0.0000 64.3255 31.3911 177.4081 97 C 4.1162 7.3949 111.6952 60.0919 30.0691 173.9660 98 T 4.2093 7.0671 118.2857 63.0878 68.8960 174.4877 99 K 4.6954 9.2430 125.7889 55.2862 34.0204 177.9631 100 T 4.0879 9.8729 118.3481 66.8917 68.0813 176.7989 101 C 4.2984 8.3530 116.2755 61.6092 29.5773 175.9569 102 Q 4.0920 8.2207 120.2658 58.5955 28.2094 178.7266 103 V 3.6816 7.7892 118.9434 65.9886 31.5993 177.8823 104 L 4.0597 8.3981 119.1165 57.6780 41.3600 179.1796 105 E 3.9935 8.2330 118.7709 59.3148 29.6923 178.6407 106 A 3.9727 8.0277 120.8407 55.0320 18.3518 179.3115 107 L 3.8724 8.2373 119.0411 58.3830 42.2312 178.6288 108 N 4.1470 8.2977 117.1426 56.6654 38.7325 176.8997 109 V 3.5091 7.9080 119.6979 66.0931 31.4335 178.1075 110 L 4.3569 7.7572 118.7369 56.9902 41.4625 179.3424 111 V 3.4186 7.6317 118.0123 65.6135 31.4936 177.6953 112 N 4.6740 8.0286 115.3171 54.9016 38.9657 175.6761 113 R 4.4614 8.2438 123.6871 53.6833 30.4208 174.3157 114 P 4.5259 0.0000 0.0000 62.2663 31.9668 176.1429 115 N 4.6926 8.9828 121.4924 52.0063 38.7555 174.7426 116 I 4.0136 8.1115 118.8195 61.7322 38.5244 177.3876 117 R 4.1251 8.0758 120.6380 58.7794 30.2570 177.3697 118 E 4.5000 7.8796 118.2461 53.5538 29.6890 173.4161 119 P 4.6780 0.0000 0.0000 61.3362 33.6660 176.1643 120 L 4.4337 8.5590 116.9549 54.9361 42.5846 178.0236 121 R 4.3928 7.3379 117.1042 53.5660 32.4642 175.0726 122 M 4.0032 8.4495 125.0415 57.9558 32.0433 178.2782 123 D 4.2933 7.9082 119.0073 56.6262 39.6529 178.5985 124 L 4.0176 7.7629 120.2113 56.9496 41.6829 179.1337 125 A 3.7494 8.1180 121.0896 55.0822 17.9444 179.1639 126 D 4.1705 8.1623 116.6660 57.3380 41.2863 178.1616 127 L 4.0620 7.8207 120.8461 58.1663 41.8950 178.7175 128 L 3.7245 7.6638 119.3209 57.9444 41.9065 178.0199 129 T 4.3919 7.3543 113.2649 63.4162 68.4670 174.7189 130 Q 4.2981 7.3384 119.6735 57.0541 31.3144 175.8113 131 N 4.8165 8.7919 120.4804 50.2277 39.9966 172.5582 132 P 4.4066 0.0000 0.0000 65.4736 31.3809 178.0503 133 E 3.9206 8.2274 118.7053 59.0980 29.8679 178.3092 134 L 3.9692 8.6646 120.8421 58.1506 42.0697 178.6932 135 F 4.2505 8.3400 120.6498 61.2479 39.3531 177.0218 136 R 3.7192 8.4092 118.7055 59.2193 29.8530 178.5333 137 K 3.8430 8.1508 118.2352 59.6748 32.2108 179.0290 138 N 4.1475 7.9062 115.8546 56.2573 38.3898 177.4445 139 A 3.9008 7.8687 122.3484 54.7563 18.3497 179.2636 140 E 3.7157 8.4510 118.2379 59.5001 29.3333 178.6157 141 E 3.8723 8.0427 119.2946 59.2413 29.6316 178.6171 142 F 3.8906 8.0248 120.1348 61.6097 38.9776 177.2711 143 T 4.2559 8.5387 115.8631 66.4313 68.0036 175.6185 144 L 4.4949 7.6998 118.0985 54.4764 41.7231 176.4820 145 R 4.1127 7.1319 117.8107 57.4892 31.7397 177.9300 146 F 4.8418 8.3931 116.7129 57.1366 39.6414 175.0320 147 G 4.5186 7.7393 105.3732 43.1094 0.0000 173.5770 148 V 4.0857 8.2601 120.7866 61.9048 32.9572 175.1108 149 D 4.6561 8.5256 125.7752 54.0857 42.0880 175.6886 150 R 3.9835 8.4255 125.2761 55.6176 30.6902 174.5784 151 P 4.4292 0.0000 0.0000 62.9042 31.3372 176.2709 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 2 A 8.12 4.63 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 3 S 7.99 4.05 0.00 3.95 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 4 M 8.32 4.02 0.00 2.05 2.16 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 2.71 2.57 0.00 5 R 7.68 3.95 0.00 2.03 2.11 0.00 3.12 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 1.88 1.70 0.00 6 V 7.68 3.37 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 0.07 0.00 0.00 0.32 0.00 0.00 7 V 8.21 3.61 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 0.97 0.00 0.00 1.01 0.00 0.00 8 K 8.04 3.94 0.00 2.06 2.01 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.74 7.81 9 E 8.85 4.09 0.00 2.58 2.50 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 2.53 2.70 0.00 10 L 8.32 3.28 0.00 1.66 1.71 -0.28 0.65 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 11 E 8.28 3.89 0.00 2.17 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 2.42 2.49 0.00 12 D 8.35 4.47 0.00 2.86 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 13 L 8.07 4.05 0.00 1.56 1.59 1.12 0.90 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 14 Q 8.12 3.94 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 15 K 7.61 4.43 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.64 7.81 16 K 7.20 4.58 0.00 1.83 1.67 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.48 7.81 17 P 0.00 4.42 0.00 2.26 2.07 0.00 3.72 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 18 P 0.00 4.21 0.00 0.97 1.23 0.00 3.42 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 1.85 1.89 0.00 19 P 0.00 4.31 0.00 2.22 2.18 0.00 3.46 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 20 Y 7.12 4.63 0.00 3.31 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 21 L 7.83 5.11 0.00 1.52 1.45 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.42 4.66 0.00 1.89 1.76 0.00 3.34 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 23 N 8.46 4.26 0.00 3.01 2.90 0.00 0.00 6.43 6.74 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 24 L 7.91 4.79 0.00 1.58 1.47 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.97 4.63 0.00 3.71 3.62 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 26 S 8.35 4.90 0.00 3.92 3.91 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 27 D 8.99 4.43 0.00 3.04 2.93 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 28 D 8.91 4.37 0.00 2.63 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 29 A 8.39 4.75 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 30 N 7.98 4.63 0.00 2.69 2.69 0.00 0.00 7.00 8.97 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 31 V 8.51 4.01 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 0.77 0.00 0.00 0.94 0.00 0.00 32 L 8.60 4.31 0.00 1.78 1.90 0.93 0.51 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 33 V 7.72 4.98 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 1.19 0.00 0.00 0.98 0.00 0.00 34 W 9.39 5.50 0.00 3.44 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 35 H 9.49 5.50 0.00 3.15 3.22 0.00 5.63 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 36 A 8.57 5.16 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 0.00 0.00 0.00 0.00 0.00 37 L 9.09 5.04 0.00 1.75 1.64 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.43 4.90 0.00 1.95 1.95 1.19 0.87 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 39 L 9.02 5.19 0.00 1.60 1.70 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.50 0.00 2.42 2.02 0.00 3.88 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 41 D 8.99 4.63 0.00 2.67 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 42 Q 8.34 4.23 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 43 P 0.00 4.79 0.00 2.28 2.16 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 44 P 0.00 4.72 0.00 2.08 2.17 0.00 2.75 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 45 Y 7.63 4.48 0.00 3.37 3.37 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 46 H 8.06 5.42 0.00 3.29 3.64 0.00 5.32 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 47 L 7.62 4.16 0.00 1.67 1.69 0.88 0.74 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 48 K 7.39 4.68 0.00 1.34 1.65 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.65 7.81 49 A 8.89 4.83 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 50 F 8.89 5.31 0.00 3.21 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 51 N 9.59 5.32 0.00 2.88 2.82 0.00 0.00 6.31 6.75 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 52 L 9.07 5.07 0.00 1.44 1.30 0.87 1.01 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 53 R 9.20 4.81 0.00 1.79 1.75 0.00 3.06 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 54 I 8.53 4.31 1.89 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.14 0.00 0.00 55 S 8.79 4.92 0.00 3.58 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 56 F 9.18 4.41 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.30 1.95 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 58 P 0.00 4.46 0.00 2.22 2.22 0.00 3.78 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 2.02 2.01 0.00 59 E 8.07 4.74 0.00 2.23 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 2.37 2.40 0.00 60 Y 7.87 4.47 0.00 3.23 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 61 P 0.00 3.67 0.00 1.90 1.34 0.00 2.77 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 1.43 1.61 0.00 62 F 8.04 4.39 0.00 3.30 3.19 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 63 K 7.92 4.56 0.00 1.81 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.72 7.81 64 P 0.00 2.97 0.00 1.56 0.49 0.00 3.45 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 65 P 0.00 4.08 0.00 1.24 0.98 0.00 2.95 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 1.64 1.79 0.00 66 M 8.55 4.12 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 67 I 8.08 4.81 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 0.67 0.00 0.00 68 K 8.71 4.75 0.00 1.89 1.79 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 69 F 8.81 4.81 0.00 2.97 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 70 T 9.26 4.18 4.39 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 1.28 0.00 0.00 71 T 7.90 4.67 4.62 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 1.43 0.00 0.00 72 K 8.46 4.68 0.00 1.74 2.08 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.32 7.81 73 I 8.15 4.09 0.56 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.17 -0.20 0.00 0.00 74 Y 8.75 4.11 0.00 2.55 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 75 H 7.74 5.17 0.00 2.81 2.86 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.26 0.00 2.07 2.15 0.00 3.44 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 77 N 7.77 4.82 0.00 2.73 2.84 0.00 0.00 6.66 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.57 4.55 1.89 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 0.73 0.00 0.00 0.76 0.00 0.00 79 D 8.31 4.71 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 80 E 8.50 4.06 0.00 1.97 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 0.00 2.26 2.30 0.00 81 N 9.26 4.47 0.00 3.02 2.88 0.00 0.00 7.00 8.50 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 82 G 8.45 3.44 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 0.00 0.00 0.00 0.00 83 Q 8.24 4.63 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 84 I 7.88 4.94 1.90 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 1.47 0.63 1.09 0.00 0.00 85 C 8.37 4.58 0.00 2.92 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 86 L 7.84 4.56 0.00 1.71 1.59 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.29 0.00 2.06 2.14 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 88 I 7.90 3.97 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 0.97 0.00 0.00 89 I 7.66 4.63 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.79 0.00 0.00 90 S 7.78 4.65 0.00 3.96 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 0.00 91 S 8.41 4.40 0.00 3.88 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 92 E 7.43 4.41 0.00 1.77 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 2.25 2.28 0.00 93 N 7.73 4.73 0.00 2.73 2.93 0.00 0.00 6.47 7.82 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 94 W 8.25 5.11 0.00 3.38 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 95 K 6.86 4.03 0.00 1.39 1.28 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.28 7.81 96 P 0.00 3.99 0.00 1.75 1.87 0.00 3.40 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 97 C 7.39 4.12 0.00 2.94 2.92 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 98 T 7.07 4.21 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 1.26 0.00 0.00 99 K 9.24 4.70 0.00 1.87 2.03 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.43 7.81 100 T 9.87 4.09 4.52 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 1.07 0.00 0.00 101 C 8.35 4.30 0.00 3.25 3.32 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 0.00 102 Q 8.22 4.09 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 103 V 7.79 3.68 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 1.16 0.00 0.00 1.14 0.00 0.00 104 L 8.40 4.06 0.00 2.07 1.91 1.19 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.23 3.99 0.00 2.16 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 0.00 2.35 2.41 0.00 106 A 8.03 3.97 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 0.00 107 L 8.24 3.87 0.00 1.80 1.88 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.30 4.15 0.00 2.51 2.62 0.00 0.00 6.92 8.37 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 0.00 109 V 7.91 3.51 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 0.96 0.00 0.00 0.95 0.00 0.00 110 L 7.76 4.36 0.00 1.80 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.63 3.42 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 0.54 0.00 0.00 1.07 0.00 0.00 112 N 8.03 4.67 0.00 2.78 2.86 0.00 0.00 6.97 7.24 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 0.00 113 R 8.24 4.46 0.00 1.92 1.87 0.00 3.32 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 114 P 0.00 4.53 0.00 1.94 1.80 0.00 3.66 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 2.04 2.20 0.00 115 N 8.98 4.69 0.00 2.60 2.70 0.00 0.00 7.18 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 0.00 116 I 8.11 4.01 1.80 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 1.36 0.67 0.80 0.00 0.00 117 R 8.08 4.13 0.00 1.96 1.99 0.00 3.08 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 118 E 7.88 4.50 0.00 1.86 1.82 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 2.18 2.29 0.00 119 P 0.00 4.68 0.00 2.17 2.14 0.00 3.69 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 1.86 1.90 0.00 120 L 8.56 4.43 0.00 1.52 1.68 0.92 0.80 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 0.00 121 R 7.34 4.39 0.00 1.65 1.94 0.00 2.95 0.00 0.00 3.07 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 122 M 8.45 4.00 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 123 D 7.91 4.29 0.00 2.86 2.90 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 0.00 124 L 7.76 4.02 0.00 1.61 1.65 0.68 0.20 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 0.00 125 A 8.12 3.75 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 0.00 0.00 0.00 0.00 0.00 126 D 8.16 4.17 0.00 2.80 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 0.00 127 L 7.82 4.06 0.00 1.97 1.86 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.66 3.72 0.00 0.64 1.47 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.35 4.39 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 1.17 0.00 0.00 130 Q 7.34 4.30 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 131 N 8.79 4.82 0.00 2.63 2.69 0.00 0.00 7.04 7.94 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 0.00 132 P 0.00 4.41 0.00 2.36 2.33 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 133 E 8.23 3.92 0.00 2.13 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 0.00 2.39 2.44 0.00 134 L 8.66 3.97 0.00 1.91 1.86 0.95 0.81 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 0.00 135 F 8.34 4.25 0.00 3.21 3.24 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 0.00 136 R 8.41 3.72 0.00 2.13 2.12 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 137 K 8.15 3.84 0.00 1.98 1.81 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.84 7.81 138 N 7.91 4.15 0.00 2.94 2.66 0.00 0.00 7.00 7.37 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 0.00 139 A 7.87 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.45 3.72 0.00 2.05 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 2.24 2.24 0.00 141 E 8.04 3.87 0.00 2.04 1.89 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 2.24 2.27 0.00 142 F 8.02 3.89 0.00 3.11 3.12 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 0.00 143 T 8.54 4.26 4.40 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 1.26 0.00 0.00 144 L 7.70 4.49 0.00 1.55 1.61 0.87 0.65 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 0.00 145 R 7.13 4.11 0.00 1.57 1.52 0.00 3.02 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 146 F 8.39 4.84 0.00 2.60 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 0.00 147 G 7.74 4.52 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 0.00 0.00 0.00 148 V 8.26 4.09 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 0.89 0.00 0.00 0.99 0.00 0.00 149 D 8.53 4.66 0.00 2.67 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 0.00 150 R 8.43 3.98 0.00 2.01 1.83 0.00 3.35 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 151 P 0.00 4.43 0.00 2.09 1.96 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00