NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2307 8.4445 119.1062 54.1571 29.2678 174.9634 4 L 3.7833 7.5895 121.4806 53.3945 41.9876 176.9431 5 T 4.1055 8.2042 117.8506 61.0161 68.9472 174.3430 6 E 3.9438 8.8018 122.7028 59.6765 28.9734 178.6262 7 E 3.9105 8.3283 120.0779 58.9008 29.2808 177.6278 8 Q 4.4863 7.8453 116.3395 56.7506 29.3845 175.3944 9 I 4.3172 8.7809 119.0688 63.7992 39.3547 177.5686 10 A 4.1698 8.2447 121.5924 56.1737 18.0342 178.6906 11 E 4.2351 8.1982 115.9047 59.0958 29.2739 178.9144 12 F 4.2667 8.2794 117.8493 59.1452 40.1249 175.7538 13 K 4.7240 9.1600 117.7563 58.3526 34.2009 178.2691 14 E 4.1577 9.2288 116.5156 58.0588 29.3654 177.5364 15 A 4.6665 7.9072 120.8946 52.9113 21.3258 178.2641 16 F 4.0514 8.1891 116.8238 60.9799 39.4612 176.5369 17 S 4.1157 8.9653 117.4205 61.3214 63.1604 176.4998 18 L 4.0900 7.5470 120.3158 57.7665 42.1945 177.5515 19 F 4.4828 7.7090 115.9607 57.2595 39.1965 176.1499 20 D 4.4572 8.6751 123.1153 51.4999 38.9831 175.4022 21 K 3.5420 7.5200 122.0851 59.8897 33.4448 177.4295 22 D 4.5706 8.2583 118.0121 59.0834 37.8489 179.0332 23 G 3.9249 6.8324 105.1156 47.7300 0.0000 174.8035 24 D 4.3181 9.8842 118.8583 52.9077 39.4969 176.8549 25 G 5.0819 8.0800 122.3489 45.1011 0.0000 171.7413 26 T 5.0079 7.7093 108.8128 59.4607 71.9969 173.0094 27 I 4.6656 8.3106 116.2806 59.2973 40.4741 176.9867 28 T 4.1100 9.9191 115.1683 62.4223 69.2500 173.5155 29 T 4.1237 8.8337 115.4131 66.1133 68.6209 176.3587 30 K 3.8072 8.0279 119.8832 60.1091 32.2027 179.0484 31 E 3.9386 8.1234 118.3650 59.1033 29.3082 179.1046 32 L 3.9324 8.2535 120.7580 58.1590 42.3726 178.9686 33 G 3.9617 8.1602 105.2488 48.5687 0.0000 175.4787 34 T 3.8706 8.0213 118.2011 66.0790 68.3747 177.1140 35 V 2.8599 7.6431 120.3395 65.9697 31.4099 178.0761 36 M 3.9578 8.0930 118.2547 58.5543 31.8477 178.3992 37 R 4.6514 7.8812 119.0813 58.9433 30.0883 178.7644 38 S 4.0303 7.4860 112.4826 61.8497 62.7439 176.3286 39 L 4.1334 7.0027 117.6854 54.8254 41.0119 177.8057 40 G 3.8535 8.5533 107.5240 45.5398 0.0000 173.2121 41 Q 4.6902 7.5837 119.6609 55.0519 31.7561 173.9525 42 N 4.4989 7.9812 114.6729 52.5171 37.8180 172.4487 43 P 4.5850 0.0000 0.0000 61.9190 33.0858 175.9756 44 T 4.3107 8.0448 108.2048 60.6320 69.7637 175.4379 45 E 3.9188 8.7582 122.1637 58.9406 29.5025 178.0980 46 A 4.6212 7.8278 119.1470 52.2207 21.3358 177.2607 47 E 4.1245 8.3766 115.9000 57.9575 29.4592 178.1610 48 L 3.9811 7.6114 119.0230 58.9328 41.7669 177.4142 49 Q 4.1929 8.5290 118.8733 56.9309 28.3925 178.8689 50 D 4.6450 7.1680 122.7139 57.1720 42.2915 179.2561 51 M 4.1888 7.6992 116.7726 58.3369 32.1119 178.6460 52 I 3.7867 7.5847 117.9944 64.0698 38.3029 177.0667 53 N 4.5431 9.2176 116.5781 55.9598 38.7930 175.4140 54 E 4.4245 7.5680 117.0225 56.7668 30.9674 176.1626 55 V 4.4331 7.9696 112.1847 60.4088 32.1579 177.0370 56 D 4.5620 7.9946 119.3889 54.1791 40.5751 177.0249 57 A 4.7128 8.4073 124.0426 52.3729 21.4552 175.6759 58 D 5.2280 7.8341 119.1310 54.4992 42.3606 178.5143 59 G 3.9120 8.6934 109.3547 47.7933 0.0000 173.0969 60 N 4.1276 9.3268 115.0052 52.7047 37.4544 172.7885 61 G 3.9846 6.9119 111.7790 45.7598 0.0000 170.6377 62 T 4.7388 7.3748 113.9161 59.9502 70.8489 172.6395 63 I 4.7071 8.1928 127.5625 59.1784 41.2559 175.1435 64 D 4.8428 8.5839 128.4687 52.8791 41.6936 176.9306 65 F 3.2961 9.1990 116.1035 60.5413 38.7553 175.3982 66 P 4.2219 0.0000 0.0000 65.8533 30.6419 178.3154 67 E 3.8599 10.5964 117.4521 59.4642 29.2403 178.9054 68 F 4.4352 7.4021 118.3615 60.1419 39.9316 177.0099 69 L 3.7983 8.5660 120.7419 58.3748 42.0370 179.0325 70 T 4.0262 8.0794 116.0669 66.2679 68.8752 176.2959 71 M 3.9924 7.6375 118.6803 57.8987 32.0939 176.9482 72 M 4.2011 7.5140 116.8951 56.1027 31.7253 176.4221 73 A 4.6871 7.5544 118.7592 51.7229 20.3183 178.1967 74 R 4.1169 7.8560 115.4869 58.5166 30.2567 177.4631 75 K 4.6781 7.6856 117.4670 56.2248 33.2049 176.0016 76 M 4.5352 8.0114 115.7904 56.4887 34.4549 176.7447 77 K 3.9797 8.1070 116.9494 58.0078 32.0505 175.4891 78 D 4.4075 6.9884 116.1489 54.7797 42.5022 175.3590 79 T 3.8135 7.9921 115.6489 63.2065 67.8076 173.0862 80 D 5.0108 8.5182 127.6329 53.5951 42.5176 177.7762 81 S 4.2738 7.9235 118.7515 61.4003 62.6369 175.8557 82 E 3.8851 8.0817 122.0456 59.2948 29.7823 178.6230 83 E 4.1613 8.1973 117.9751 59.3836 29.7406 178.5645 84 E 4.0159 8.3412 118.2257 59.9840 29.4644 179.6505 85 I 4.1482 7.7743 118.6804 63.9390 37.0091 177.7199 86 R 4.5807 8.4465 118.6297 57.5680 29.9106 177.4234 87 E 4.3306 8.0824 116.2637 58.4865 30.5171 177.6802 88 A 4.3475 8.8040 121.6070 55.0300 18.4929 179.2609 89 F 3.3194 8.4197 119.3192 61.5678 39.3297 177.6027 90 R 3.9524 7.8229 115.7695 59.0526 29.8157 178.9957 91 V 3.6476 7.4115 117.4680 65.8861 31.6782 177.5414 92 F 4.0807 8.2845 116.3276 59.9850 40.3849 176.2691 93 D 4.5336 7.3942 118.5708 54.3179 36.9564 176.9034 94 K 4.1622 7.9886 118.0989 57.7457 32.6033 177.5466 95 D 4.7472 7.8597 116.6769 52.0822 40.5159 176.3989 96 G 3.8343 8.2961 107.8124 46.6032 0.0000 173.5897 97 N 4.7650 8.0088 111.7811 51.5773 37.4129 176.9110 98 G 3.9733 8.1085 105.0059 46.7454 0.0000 173.3978 99 Y 5.1097 7.9094 116.1200 56.2331 41.3937 175.0412 100 I 4.7488 9.0822 122.7588 59.6224 39.8505 175.0064 101 S 5.0487 8.7092 120.0085 55.9306 65.8493 174.8889 102 A 3.5559 8.9902 122.9956 56.0494 17.7708 179.4009 103 A 3.9801 8.1196 119.0524 55.5218 18.3885 179.4106 104 E 3.9875 8.2300 114.0755 59.4519 29.7507 178.4196 105 L 4.2363 8.9652 122.8690 57.7987 41.8576 178.4319 106 R 3.8878 8.2720 119.8104 60.5383 30.3999 177.6327 107 H 4.1771 8.6633 118.0500 59.4933 29.3594 177.2543 108 V 3.4074 8.4390 120.2483 66.0815 31.5093 178.3173 109 M 4.2199 8.7884 119.0903 57.9239 30.9828 178.4849 110 T 4.6406 7.7515 111.2900 63.6041 69.3852 176.7184 111 N 4.7572 8.0858 117.6864 55.7934 38.6544 175.4246 112 L 4.2797 7.4727 115.0124 54.5401 41.5276 177.2211 113 G 3.8504 9.4353 106.6722 45.7912 0.0000 173.0695 114 E 4.5019 8.0202 120.0654 53.8659 31.2786 175.2579 115 K 4.4174 8.5141 125.3846 55.0494 32.1511 175.4747 116 L 4.7280 8.1187 123.7794 52.7623 44.0776 176.5516 117 T 4.1681 8.3491 117.3668 61.4310 67.8160 174.9131 118 D 4.3826 8.8432 127.5558 57.6461 40.6672 179.0821 119 E 4.0289 8.3265 119.0514 59.3509 29.4657 178.2785 120 E 4.3854 8.0169 114.7158 56.9853 29.7603 177.9069 121 V 4.1414 7.4240 119.0379 64.9635 32.2784 177.1130 122 D 4.4881 7.7003 116.5854 56.4641 40.3389 178.1464 123 Q 4.1348 7.7598 119.4716 59.3500 29.1100 176.7406 124 M 4.2823 8.5502 120.5788 57.0112 31.7803 178.9729 125 I 3.5896 7.2160 121.3004 64.8124 38.0060 177.2720 126 R 3.8938 7.7514 118.2468 60.0249 29.6045 177.8164 127 E 3.9757 8.0207 118.3927 58.6936 29.7898 178.3403 128 A 4.2817 7.6860 119.4750 52.8740 19.3190 176.9376 129 D 4.7355 7.8618 117.9161 54.0237 41.9688 175.8366 130 I 4.2846 8.8259 126.8694 61.9733 38.8617 176.2007 131 D 4.6387 8.2717 117.5748 52.4640 39.7509 178.0713 132 G 3.8659 7.9141 108.8033 46.2138 0.0000 175.1179 133 D 4.5094 7.7639 117.3330 53.2786 38.7845 177.3986 134 G 4.1272 8.4328 105.9311 46.5207 0.0000 173.6727 135 Q 4.6906 7.7315 114.1646 54.5383 32.2026 174.4460 136 V 4.6577 8.5138 114.4986 60.2951 33.5794 175.5514 137 N 5.0209 8.9938 122.9846 51.5430 39.8156 175.2757 138 Y 3.0701 8.2430 119.0057 61.5272 38.4576 177.6379 139 E 3.6510 8.1346 117.1907 60.2990 29.5110 179.2155 140 E 3.9636 9.5132 117.7818 59.4244 29.7188 179.2048 141 F 4.1654 8.6068 121.9368 61.3678 39.4109 177.1718 142 V 3.3687 8.3667 118.9086 65.9732 31.0494 178.0184 143 Q 3.8320 7.8354 117.7025 59.0027 28.4176 177.8349 144 M 3.8686 7.8671 118.2687 59.8697 32.2611 177.3163 145 M 3.8577 7.6508 117.1419 58.1341 32.2182 177.7243 146 T 3.9871 7.7076 111.9167 63.7492 69.4097 174.6201 147 A 3.8161 7.3105 124.3728 52.0094 18.7446 177.3065 148 K 4.1118 8.5739 122.9257 56.5911 32.2897 176.0988 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 3 Q 8.44 4.23 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.59 3.78 0.00 1.74 1.51 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.20 4.11 4.23 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 1.23 0.00 0.00 6 E 8.80 3.94 0.00 2.24 2.19 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 2.37 2.38 0.00 7 E 8.33 3.91 0.00 2.08 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 2.44 2.43 0.00 8 Q 7.85 4.49 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 1.94 2.38 0.00 9 I 8.78 4.32 1.99 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 1.48 1.06 0.96 0.00 0.00 10 A 8.24 4.17 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 11 E 8.20 4.24 0.00 2.29 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 2.39 2.64 0.00 12 F 8.28 4.27 0.00 3.41 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 13 K 9.16 4.72 0.00 2.13 1.96 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.72 7.81 14 E 9.23 4.16 0.00 2.11 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 0.00 2.42 2.48 0.00 15 A 7.91 4.67 1.24 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 0.00 0.00 16 F 8.19 4.05 0.00 2.82 3.27 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 17 S 8.97 4.12 0.00 3.96 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 18 L 7.55 4.09 0.00 1.91 2.13 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.71 4.48 0.00 2.96 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 20 D 8.68 4.46 0.00 2.37 2.44 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 21 K 7.52 3.54 0.00 1.62 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.49 7.81 22 D 8.26 4.57 0.00 2.83 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 23 G 6.83 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 0.00 0.00 0.00 24 D 9.88 4.32 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.08 5.08 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 0.00 0.00 0.00 26 T 7.71 5.01 4.36 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 1.22 0.00 0.00 27 I 8.31 4.67 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 -0.14 0.00 0.00 28 T 9.92 4.11 4.22 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 1.22 0.00 0.00 29 T 8.83 4.12 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 1.22 0.00 0.00 30 K 8.03 3.81 0.00 1.83 1.89 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.62 7.81 31 E 8.12 3.94 0.00 2.10 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 2.42 2.28 0.00 32 L 8.25 3.93 0.00 1.78 1.83 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.16 3.96 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 0.00 0.00 0.00 34 T 8.02 3.87 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 1.32 0.00 0.00 35 V 7.64 2.86 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 0.83 0.00 0.00 0.69 0.00 0.00 36 M 8.09 3.96 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.77 0.00 37 R 7.88 4.65 0.00 1.79 1.95 0.00 3.14 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 38 S 7.49 4.03 0.00 3.87 3.65 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 39 L 7.00 4.13 0.00 1.70 1.54 0.24 1.16 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 40 G 8.55 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 41 Q 7.58 4.69 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 42 N 7.98 4.50 0.00 2.79 2.80 0.00 0.00 5.94 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.58 0.00 2.21 2.12 0.00 3.75 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 1.99 1.97 0.00 44 T 8.04 4.31 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 45 E 8.76 3.92 0.00 1.97 2.10 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 2.33 2.34 0.00 46 A 7.83 4.62 1.27 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 0.00 0.00 47 E 8.38 4.12 0.00 2.04 1.95 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 2.31 2.31 0.00 48 L 7.61 3.98 0.00 1.89 1.70 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.53 4.19 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.18 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 50 D 7.17 4.64 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.70 4.19 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 52 I 7.58 3.79 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 1.03 0.00 0.00 53 N 9.22 4.54 0.00 2.74 2.93 0.00 0.00 7.27 7.53 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 54 E 7.57 4.42 0.00 2.31 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 2.30 2.38 0.00 55 V 7.97 4.43 2.45 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 0.74 0.00 0.00 1.15 0.00 0.00 56 D 7.99 4.56 0.00 2.68 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 57 A 8.41 4.71 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 58 D 7.83 5.23 0.00 2.79 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 59 G 8.69 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 0.00 0.00 0.00 60 N 9.33 4.13 0.00 2.60 2.78 0.00 0.00 6.98 7.86 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 61 G 6.91 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 0.00 0.00 0.00 62 T 7.37 4.74 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 1.23 0.00 0.00 63 I 8.19 4.71 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 1.08 0.00 0.00 64 D 8.58 4.84 0.00 3.07 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 65 F 9.20 3.30 0.00 2.93 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 66 P 0.00 4.22 0.00 2.39 2.09 0.00 4.03 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 67 E 10.60 3.86 0.00 2.34 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 0.00 2.38 2.92 0.00 68 F 7.40 4.44 0.00 2.92 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 69 L 8.57 3.80 0.00 1.65 1.71 0.78 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.08 4.03 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 1.17 0.00 0.00 71 M 7.64 3.99 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 72 M 7.51 4.20 0.00 1.48 1.73 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 1.81 0.00 73 A 7.55 4.69 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 74 R 7.86 4.12 0.00 2.05 1.98 0.00 3.28 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 75 K 7.69 4.68 0.00 1.64 1.70 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.41 7.81 76 M 8.01 4.54 0.00 2.30 1.86 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 2.45 2.35 0.00 77 K 8.11 3.98 0.00 1.66 1.96 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 78 D 6.99 4.41 0.00 2.61 2.45 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 0.00 0.00 0.00 0.00 79 T 7.99 3.81 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 1.23 0.00 0.00 80 D 8.52 5.01 0.00 2.66 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 81 S 7.92 4.27 0.00 4.10 4.13 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 82 E 8.08 3.89 0.00 2.03 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 2.39 2.56 0.00 83 E 8.20 4.16 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 84 E 8.34 4.02 0.00 2.27 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 0.00 2.45 2.54 0.00 85 I 7.77 4.15 2.16 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 1.41 0.76 0.98 0.00 0.00 86 R 8.45 4.58 0.00 1.90 2.10 0.00 2.96 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.00 87 E 8.08 4.33 0.00 2.19 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 2.30 2.76 0.00 88 A 8.80 4.35 1.71 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 0.00 0.00 89 F 8.42 3.32 0.00 3.35 3.33 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 90 R 7.82 3.95 0.00 1.82 2.01 0.00 3.23 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 91 V 7.41 3.65 2.33 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 0.54 0.00 0.00 0.96 0.00 0.00 92 F 8.28 4.08 0.00 2.63 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 93 D 7.39 4.53 0.00 2.06 2.28 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 94 K 7.99 4.16 0.00 2.04 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.55 7.81 95 D 7.86 4.75 0.00 2.70 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 96 G 8.30 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 97 N 8.01 4.76 0.00 3.10 3.19 0.00 0.00 6.90 6.80 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 98 G 8.11 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 99 Y 7.91 5.11 0.00 2.89 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 0.00 100 I 9.08 4.75 2.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.25 0.91 0.00 0.00 101 S 8.71 5.05 0.00 3.91 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 0.00 102 A 8.99 3.56 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 0.00 103 A 8.12 3.98 1.31 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 0.00 0.00 104 E 8.23 3.99 0.00 2.50 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 2.47 2.37 0.00 105 L 8.97 4.24 0.00 1.81 1.86 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.27 3.89 0.00 1.90 2.30 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 107 H 8.66 4.18 0.00 3.34 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.44 3.41 1.66 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 0.50 0.00 0.00 0.82 0.00 0.00 109 M 8.79 4.22 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 110 T 7.75 4.64 4.23 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 1.31 0.00 0.00 111 N 8.09 4.76 0.00 2.60 2.86 0.00 0.00 6.90 7.85 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 0.00 112 L 7.47 4.28 0.00 1.65 1.67 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.44 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 0.00 114 E 8.02 4.50 0.00 2.09 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 2.24 2.31 0.00 115 K 8.51 4.42 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 116 L 8.12 4.73 0.00 1.63 1.58 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.35 4.17 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 1.25 0.00 0.00 118 D 8.84 4.38 0.00 2.79 2.70 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 0.00 119 E 8.33 4.03 0.00 2.04 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 2.33 2.50 0.00 120 E 8.02 4.39 0.00 1.95 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 2.35 2.32 0.00 121 V 7.42 4.14 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 1.18 0.00 0.00 0.97 0.00 0.00 122 D 7.70 4.49 0.00 2.78 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 0.00 123 Q 7.76 4.13 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 124 M 8.55 4.28 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.60 0.00 125 I 7.22 3.59 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.75 0.95 0.00 0.00 126 R 7.75 3.89 0.00 2.16 1.90 0.00 3.11 0.00 0.00 3.10 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 127 E 8.02 3.98 0.00 2.05 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 2.32 2.34 0.00 128 A 7.69 4.28 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 0.00 129 D 7.86 4.74 0.00 2.78 2.70 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 0.00 130 I 8.83 4.28 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.91 0.00 0.00 131 D 8.27 4.64 0.00 2.83 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 0.00 132 G 7.91 3.87 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 0.00 0.00 0.00 133 D 7.76 4.51 0.00 2.85 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 0.00 134 G 8.43 4.13 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 0.00 135 Q 7.73 4.69 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 136 V 8.51 4.66 2.29 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 0.79 0.00 0.00 1.08 0.00 0.00 137 N 8.99 5.02 0.00 2.69 3.04 0.00 0.00 6.15 6.84 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 0.00 138 Y 8.24 3.07 0.00 2.06 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 0.00 139 E 8.13 3.65 0.00 2.32 1.86 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 2.38 2.38 0.00 140 E 9.51 3.96 0.00 2.33 2.23 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 2.68 2.58 0.00 141 F 8.61 4.17 0.00 3.29 3.16 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 0.00 142 V 8.37 3.37 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 0.78 0.00 0.00 -0.33 0.00 0.00 143 Q 7.84 3.83 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 144 M 7.87 3.87 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 145 M 7.65 3.86 0.00 1.82 1.61 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 146 T 7.71 3.99 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 1.16 0.00 0.00 147 A 7.31 3.82 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 0.00 148 K 8.57 4.11 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.40 7.81