NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2876 8.3149 120.1323 55.7100 33.5272 175.2960 3 S 4.0931 8.5321 117.2681 58.8645 63.3548 172.9197 4 L 4.6248 9.0330 123.9593 54.8359 45.0051 176.1135 5 V 4.8779 7.9333 118.5063 60.8446 35.1015 174.2331 6 G 4.7572 8.8827 114.5414 43.8436 0.0000 172.2278 7 V 5.1176 9.1835 126.3716 61.2061 33.6034 174.4976 8 I 5.6993 9.0403 121.3415 58.6236 41.3992 174.0423 9 M 5.3842 7.5378 117.9548 55.1098 33.5634 175.7350 10 G 3.8945 8.9708 108.1834 49.2108 0.0000 173.7831 11 S 4.8781 8.3577 113.6306 55.5021 66.4616 175.1371 12 T 3.9773 8.5671 112.4760 64.9688 68.4908 176.6293 13 S 4.2548 8.1827 116.6081 61.3875 62.8943 175.8748 14 D 4.5988 8.2510 122.0403 56.1911 40.5257 177.9929 15 W 4.6456 8.3004 129.6070 60.7024 30.3144 177.3184 16 E 3.7777 7.7731 117.0945 59.2171 29.3427 178.5493 17 T 4.2774 8.0260 115.6966 66.3947 68.4137 176.6674 18 M 4.3194 7.9541 118.9017 56.7866 32.1378 178.2825 19 K 2.7152 7.3108 119.6542 59.4418 32.0744 178.3827 20 Y 3.8208 7.3142 115.3656 60.9259 37.9136 178.4164 21 A 4.0466 7.9393 121.5355 55.6995 18.4049 179.5790 22 C 3.5670 7.6328 113.9593 62.8047 28.1259 176.0113 23 D 4.3520 8.2766 120.8212 57.3887 40.3215 178.9908 24 I 3.7133 7.7049 120.3100 64.3520 37.0357 178.4938 25 L 4.0218 7.7067 119.5455 57.7895 41.3938 179.3072 26 D 4.4737 8.3960 119.0275 57.4297 40.5868 178.2305 27 E 3.9873 8.1623 118.6610 59.0061 29.6175 177.9747 28 L 4.4632 7.7301 115.7388 53.4011 42.1352 176.0177 29 N 4.2073 8.0023 115.1157 54.3491 36.7097 174.1014 30 I 4.5236 7.8754 118.9177 59.0926 38.5933 174.6903 31 P 4.6371 0.0000 0.0000 63.1022 32.4632 174.9187 32 Y 5.5170 8.0300 119.7883 55.8199 41.5117 173.3752 33 E 4.9473 9.2539 117.6655 54.3087 33.1386 174.9131 34 K 5.3198 8.5478 119.4675 55.3859 35.4295 175.4398 35 K 4.6074 9.0069 122.3338 54.7435 37.2623 175.2048 36 V 4.4082 8.2280 122.8188 62.3008 32.0814 175.6437 37 V 4.3227 8.9930 128.2901 61.6650 34.7298 173.5778 38 S 4.9186 9.0686 123.8072 56.1584 63.6203 174.7567 39 A 4.0381 8.7183 131.0331 55.0456 18.4023 177.6395 40 H 4.7981 8.0174 110.8458 56.6705 29.9976 176.0727 41 R 4.4554 8.1838 117.0311 56.7401 31.7553 176.4164 42 T 4.7932 7.9326 108.0284 58.9818 68.9587 173.1987 43 P 4.2456 0.0000 0.0000 66.9580 31.6717 177.7895 44 D 4.2759 8.0056 118.3333 57.1627 40.8285 177.9346 45 Y 4.3492 8.1181 119.4614 60.9152 38.7331 177.6262 46 M 3.9045 8.3425 119.1195 58.7525 32.3336 178.1435 47 F 4.2532 8.5159 117.8625 60.6087 39.2198 177.2372 48 E 4.1350 8.5563 118.8875 59.4396 29.3419 178.0146 49 Y 3.8402 8.4082 119.6513 60.6863 38.7394 178.0872 50 A 3.9661 8.2515 121.4148 55.3168 18.3311 179.1962 51 E 3.8516 8.2268 116.3482 59.5028 29.9364 179.0370 52 T 4.2401 7.6561 106.7802 61.6959 69.5255 176.2781 53 A 3.7099 7.3856 124.8132 55.4931 18.3477 179.5905 54 R 3.7413 7.7726 116.1430 59.7642 30.1086 178.1458 55 E 3.9296 8.1300 116.2876 59.6742 29.5075 178.5519 56 R 3.9929 7.8444 115.2001 57.0790 30.2464 177.4089 57 G 4.0121 7.9478 106.3625 44.6004 0.0000 174.0379 58 L 4.3158 7.4173 119.0891 54.9411 41.7229 177.0578 59 K 4.5436 9.1478 120.5664 56.9066 34.8579 176.8746 60 V 4.7034 7.6488 118.0793 61.2074 35.5191 173.7802 61 I 5.0880 8.6167 126.9990 59.6308 40.1618 174.3914 62 I 4.9749 9.0370 127.4719 59.5309 39.5959 174.5193 63 A 5.1615 9.4993 128.6924 50.0543 22.2689 174.8460 64 G 4.5068 8.6506 109.0688 44.6100 0.0000 171.9422 65 A 4.7824 8.3435 121.8204 51.0037 23.1952 175.3843 66 G 4.3666 8.4593 105.9502 44.1133 0.0000 176.0448 67 G 4.2083 9.0578 110.7387 45.9898 0.0000 177.0609 68 A 4.4166 8.5961 123.7558 51.2087 16.2217 176.4153 69 A 4.4439 7.9455 123.1002 51.4598 18.0173 177.4439 70 H 4.7267 8.2357 118.2265 56.7288 29.6292 176.5633 71 L 3.9491 7.8816 122.5489 57.7964 41.8414 176.9383 72 P 4.3710 0.0000 0.0000 65.6488 31.3430 178.9312 73 G 3.5917 8.0374 104.0330 47.9800 0.0000 175.5662 74 M 4.1802 8.1115 120.2964 57.9454 32.2790 178.7113 75 V 3.7163 7.9733 118.3809 65.9830 31.5091 178.0022 76 A 3.9722 8.4101 120.6014 54.9894 17.9666 179.2747 77 A 3.8579 8.0983 118.1720 53.9554 18.4837 178.1738 78 K 4.2883 7.6629 114.4524 56.1957 33.3594 175.8384 79 T 4.5865 7.3433 112.1221 60.9937 70.3620 172.8134 80 N 4.8231 8.4983 122.6940 52.8413 39.0210 175.1418 81 L 4.1008 7.5598 118.7268 54.6393 42.6078 175.6514 82 P 4.3492 0.0000 0.0000 62.9708 32.6873 175.1807 83 V 4.8419 8.4695 123.6631 61.2333 34.2990 173.8814 84 I 4.7812 8.9443 129.7547 59.7969 39.2913 174.7458 85 G 4.3085 9.0299 115.3799 44.5468 0.0000 172.3097 86 V 4.4394 8.6239 126.4641 60.5573 33.4410 173.0860 87 P 4.8480 0.0000 0.0000 62.2627 32.2273 175.9908 88 V 4.0299 8.4316 126.3527 62.1539 32.4059 175.5960 89 Q 3.9995 8.6772 129.0529 56.0906 29.0052 175.8675 90 S 4.5453 8.4741 120.3983 57.1673 64.6332 175.2971 91 K 3.8418 8.5516 121.7387 59.7455 32.3313 178.1693 92 A 4.1081 8.0974 119.8842 54.9300 18.6989 178.1828 93 L 4.5128 7.8816 112.8265 53.7766 42.2360 176.3606 94 N 4.1942 8.8935 115.0782 54.2893 36.7611 175.4386 95 G 3.9633 8.4019 105.3858 45.6750 0.0000 176.1243 96 L 3.9505 8.0777 122.4004 57.9406 41.9916 178.3831 97 D 4.3557 8.0756 118.6594 56.7184 38.8603 178.4922 98 S 4.2991 8.0182 117.7248 60.3625 62.8966 176.3070 99 L 3.9742 8.3381 123.0609 58.3904 41.5608 179.1301 100 L 4.1701 7.9659 118.8300 57.8187 41.2987 179.6912 101 S 4.1907 8.1624 114.3924 60.8147 62.7209 176.0045 102 I 4.1966 7.0705 121.1476 63.4355 38.0714 178.2032 103 V 4.0190 8.1125 121.5546 63.6671 31.1345 176.7734 104 Q 4.4907 7.4930 117.0954 56.1399 28.7921 176.0682 105 M 4.1873 7.7597 117.8241 54.7997 32.8264 175.0095 106 P 4.5292 0.0000 0.0000 61.6349 32.6305 175.8809 107 G 3.8843 8.4516 108.4795 46.7792 0.0000 172.7067 108 G 4.0845 8.7635 114.0647 45.8668 0.0000 174.3046 109 V 4.3641 7.4110 118.5479 59.7141 31.3094 172.5951 110 P 4.4092 0.0000 0.0000 62.1739 32.2806 176.7723 111 V 4.5211 8.0567 119.6823 60.9818 34.2563 174.8294 112 A 4.2673 9.1484 130.5287 52.1758 18.7963 175.8719 113 T 4.8514 8.3843 118.3468 63.3794 70.8257 175.0087 114 V 4.6718 7.9320 118.4738 58.9699 35.2126 175.3118 115 A 4.1435 8.3788 123.0967 52.1487 18.7947 177.1547 116 I 4.1651 8.0224 121.2880 62.6968 38.3715 177.9913 117 G 3.8169 8.8993 112.6580 45.2589 0.0000 174.3713 118 K 3.6274 8.4512 116.5585 59.2386 31.9451 178.8122 119 A 3.9626 7.8313 120.7775 54.9864 18.3126 179.6696 120 G 4.0549 7.8835 104.9998 47.4206 0.0000 175.4018 121 S 4.0785 7.9904 115.8867 61.4631 62.3908 176.1309 122 T 3.9101 7.8945 118.1992 67.1634 68.3173 176.3047 123 N 4.4285 8.2321 117.4645 55.6894 38.3995 177.4891 124 A 4.0647 8.4151 123.3014 55.0533 18.5239 179.7802 125 G 3.5594 7.8766 103.7171 47.9509 0.0000 175.8666 126 L 3.9912 7.9061 121.6549 57.3659 41.6484 179.3157 127 L 4.0933 8.4634 120.3742 58.1208 42.0248 178.7513 128 A 3.9917 8.4133 120.8353 55.2615 18.3135 179.4468 129 A 4.0032 8.0902 119.1463 55.4809 18.5621 179.9271 130 Q 3.9889 8.4396 116.9532 58.9451 28.5146 178.9562 131 I 3.7593 7.7369 120.0395 64.4601 37.5211 178.1407 132 L 4.3984 8.1197 119.7910 57.8799 40.8331 179.7081 133 G 3.8806 8.7873 105.1463 46.6937 0.0000 175.6028 134 S 4.2408 8.0099 115.6636 60.5290 63.0737 174.8707 135 F 4.4329 7.6084 116.0188 57.3559 41.1827 175.3253 136 H 4.8428 7.9793 118.1677 53.9768 29.7672 174.7001 137 D 4.4461 8.6714 127.3821 57.4015 40.7357 178.5386 138 D 4.3979 8.1190 118.9342 57.4184 40.8832 178.7997 139 I 3.7178 7.7225 119.7364 64.5591 37.2518 177.5676 140 H 4.0009 8.1097 118.7450 59.6153 29.6482 176.8597 141 D 4.3879 8.5726 120.6131 57.3375 40.6175 178.7604 142 A 4.0020 8.0343 121.1927 55.0715 18.4232 179.5821 143 L 3.9219 8.0144 117.5123 58.0927 41.6179 179.7155 144 E 3.9712 8.2881 118.4010 59.3064 29.4070 179.3826 145 L 3.9656 8.0557 119.0676 57.7553 41.7735 179.5510 146 R 3.8764 8.0861 118.5968 59.4797 30.0124 178.6049 147 R 3.8792 8.0701 118.5122 59.2516 30.0791 177.9066 148 E 3.8896 8.5008 119.2841 59.3875 29.6312 178.7875 149 A 4.0241 8.1510 120.6829 55.0356 18.3214 179.6917 150 I 3.6335 7.6986 118.2326 64.4711 37.1268 178.0247 151 E 3.8936 8.2764 120.2087 59.2982 29.3048 178.9083 152 K 3.8994 8.0665 119.4194 59.4041 32.0709 178.0321 153 D 4.3098 7.8614 117.0478 57.5139 41.2126 178.2696 154 V 3.7112 7.7826 117.2763 65.9709 31.6650 177.6437 155 R 4.0081 8.0043 117.2845 59.2531 30.0793 176.5178 156 E 4.3265 8.2554 121.6705 56.5164 29.7933 176.0686 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 K 8.31 4.29 0.00 1.75 1.80 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 3 S 8.53 4.09 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.03 4.62 0.00 1.64 1.71 0.92 0.51 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 5 V 7.93 4.88 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 1.11 0.00 0.00 0.99 0.00 0.00 6 G 8.88 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.18 5.12 2.22 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 1.17 0.00 0.00 0.91 0.00 0.00 8 I 9.04 5.70 1.59 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 1.01 0.42 0.34 0.00 0.00 9 M 7.54 5.38 0.00 2.16 2.22 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 2.83 2.39 0.00 10 G 8.97 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 0.00 0.00 0.00 11 S 8.36 4.88 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 12 T 8.57 3.98 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 1.19 0.00 0.00 13 S 8.18 4.25 0.00 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.25 4.60 0.00 2.96 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 15 W 8.30 4.65 0.00 3.35 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 16 E 7.77 3.78 0.00 2.08 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 17 T 8.03 4.28 4.41 0.00 0.00 0.00 0.00 0.00 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 18 M 7.95 4.32 0.00 2.22 2.43 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 2.81 2.88 0.00 19 K 7.31 2.72 0.00 0.95 1.08 0.00 1.11 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.63 7.81 20 Y 7.31 3.82 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.94 4.05 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 22 C 7.63 3.57 0.00 3.20 3.01 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 23 D 8.28 4.35 0.00 2.74 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 24 I 7.70 3.71 2.02 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 1.71 1.01 0.93 0.00 0.00 25 L 7.71 4.02 0.00 1.47 1.91 0.61 0.95 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 26 D 8.40 4.47 0.00 2.92 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 27 E 8.16 3.99 0.00 2.07 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 2.34 2.38 0.00 28 L 7.73 4.46 0.00 1.70 1.69 0.93 1.15 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 29 N 8.00 4.21 0.00 2.88 2.91 0.00 0.00 6.84 7.06 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 30 I 7.88 4.52 1.95 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 1.33 0.77 0.99 0.00 0.00 31 P 0.00 4.64 0.00 2.22 2.18 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 32 Y 8.03 5.52 0.00 3.15 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 33 E 9.25 4.95 0.00 2.09 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 2.30 2.39 0.00 34 K 8.55 5.32 0.00 1.67 2.02 0.00 0.88 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.24 7.81 35 K 9.01 4.61 0.00 1.47 1.65 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 V 8.23 4.41 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 0.80 0.00 0.00 0.88 0.00 0.00 37 V 8.99 4.32 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 0.56 0.00 0.00 0.28 0.00 0.00 38 S 9.07 4.92 0.00 4.09 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.72 4.04 1.18 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 0.00 0.00 40 H 8.02 4.80 0.00 3.15 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.18 4.46 0.00 1.80 1.99 0.00 3.12 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 42 T 7.93 4.79 4.46 0.00 0.00 0.00 0.00 0.00 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 43 P 0.00 4.25 0.00 2.09 2.42 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 44 D 8.01 4.28 0.00 2.74 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 45 Y 8.12 4.35 0.00 2.97 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 46 M 8.34 3.90 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.79 0.00 47 F 8.52 4.25 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 48 E 8.56 4.14 0.00 2.21 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 0.00 2.44 2.45 0.00 49 Y 8.41 3.84 0.00 2.72 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 50 A 8.25 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 51 E 8.23 3.85 0.00 2.13 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 2.29 2.38 0.00 52 T 7.66 4.24 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 53 A 7.39 3.71 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.77 3.74 0.00 1.84 1.88 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 55 E 8.13 3.93 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 56 R 7.84 3.99 0.00 1.89 1.91 0.00 3.05 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 57 G 7.95 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 0.00 0.00 0.00 58 L 7.42 4.32 0.00 1.63 1.61 0.90 0.67 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 59 K 9.15 4.54 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 60 V 7.65 4.70 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 1.09 0.00 0.00 0.97 0.00 0.00 61 I 8.62 5.09 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 1.39 0.70 1.05 0.00 0.00 62 I 9.04 4.97 1.90 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 1.18 0.83 0.93 0.00 0.00 63 A 9.50 5.16 1.19 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 0.00 0.00 64 G 8.65 4.51 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 65 A 8.34 4.78 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.46 4.37 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 0.00 67 G 9.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.60 4.42 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.95 4.44 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 70 H 8.24 4.73 0.00 3.13 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.88 3.95 0.00 1.73 1.67 0.96 1.12 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 72 P 0.00 4.37 0.00 2.21 2.10 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 73 G 8.04 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.11 4.18 0.00 2.22 2.32 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 2.75 2.86 0.00 75 V 7.97 3.72 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 1.07 0.00 0.00 1.03 0.00 0.00 76 A 8.41 3.97 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.10 3.86 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 78 K 7.66 4.29 0.00 1.63 1.54 0.00 1.31 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.77 0.32 7.81 79 T 7.34 4.59 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 1.26 0.00 0.00 80 N 8.50 4.82 0.00 2.69 2.79 0.00 0.00 6.96 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 81 L 7.56 4.10 0.00 1.52 1.63 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.35 0.00 2.09 2.00 0.00 3.75 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 2.14 2.11 0.00 83 V 8.47 4.84 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 1.20 0.00 0.00 0.99 0.00 0.00 84 I 8.94 4.78 1.89 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 1.18 0.47 0.97 0.00 0.00 85 G 9.03 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 0.00 0.00 0.00 0.00 86 V 8.62 4.44 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 0.96 0.00 0.00 0.94 0.00 0.00 87 P 0.00 4.85 0.00 2.11 1.95 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 88 V 8.43 4.03 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 0.71 0.00 0.00 0.99 0.00 0.00 89 Q 8.68 4.00 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 90 S 8.47 4.55 0.00 4.05 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 91 K 8.55 3.84 0.00 1.74 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 92 A 8.10 4.11 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 93 L 7.88 4.51 0.00 1.75 1.67 0.92 0.73 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 94 N 8.89 4.19 0.00 2.78 2.87 0.00 0.00 7.05 8.29 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 95 G 8.40 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 96 L 8.08 3.95 0.00 1.79 1.76 0.92 1.08 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 97 D 8.08 4.36 0.00 3.12 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 98 S 8.02 4.30 0.00 4.04 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 99 L 8.34 3.97 0.00 1.76 1.88 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.97 4.17 0.00 1.76 1.71 0.93 0.97 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 0.00 101 S 8.16 4.19 0.00 4.09 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 0.00 102 I 7.07 4.20 1.88 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 1.60 0.65 0.92 0.00 0.00 103 V 8.11 4.02 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 1.20 0.00 0.00 0.93 0.00 0.00 104 Q 7.49 4.49 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 105 M 7.76 4.19 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.86 0.00 106 P 0.00 4.53 0.00 2.22 2.17 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 107 G 8.45 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 0.00 108 G 8.76 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 0.00 0.00 0.00 109 V 7.41 4.36 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 0.86 0.00 0.00 0.92 0.00 0.00 110 P 0.00 4.41 0.00 2.22 2.04 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 111 V 8.06 4.52 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 0.89 0.00 0.00 0.94 0.00 0.00 112 A 9.15 4.27 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 0.00 113 T 8.38 4.85 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 1.27 0.00 0.00 114 V 7.93 4.67 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 0.66 0.00 0.00 1.01 0.00 0.00 115 A 8.38 4.14 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 0.00 116 I 8.02 4.17 1.85 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 1.34 0.57 0.89 0.00 0.00 117 G 8.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.45 3.63 0.00 1.39 0.74 0.00 1.51 0.00 0.00 1.54 0.00 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 1.31 7.81 119 A 7.83 3.96 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 0.00 120 G 7.88 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.99 4.08 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.89 3.91 4.37 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 1.21 0.00 0.00 123 N 8.23 4.43 0.00 3.00 2.85 0.00 0.00 6.98 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.42 4.06 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 0.00 125 G 7.88 3.56 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 0.00 126 L 7.91 3.99 0.00 1.85 1.72 0.91 0.53 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 0.00 127 L 8.46 4.09 0.00 1.79 1.88 0.93 0.99 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 0.00 128 A 8.41 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.09 4.00 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.44 3.99 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 131 I 7.74 3.76 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.65 0.99 0.00 0.00 132 L 8.12 4.40 0.00 1.93 1.81 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.79 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 0.00 134 S 8.01 4.24 0.00 3.85 4.09 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 0.00 135 F 7.61 4.43 0.00 2.93 2.91 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 0.00 136 H 7.98 4.84 0.00 3.33 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.67 4.45 0.00 2.79 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 0.00 138 D 8.12 4.40 0.00 2.72 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 0.00 139 I 7.72 3.72 2.06 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 0.75 1.00 0.00 0.00 140 H 8.11 4.00 0.00 3.57 3.43 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 0.00 141 D 8.57 4.39 0.00 2.93 2.73 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 0.00 142 A 8.03 4.00 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 0.00 143 L 8.01 3.92 0.00 1.81 1.67 0.88 0.80 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 0.00 144 E 8.29 3.97 0.00 2.13 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 2.37 2.54 0.00 145 L 8.06 3.97 0.00 1.94 1.72 0.93 0.75 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 0.00 146 R 8.09 3.88 0.00 1.99 2.08 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 147 R 8.07 3.88 0.00 1.98 2.03 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 148 E 8.50 3.89 0.00 2.12 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 0.00 2.31 2.34 0.00 149 A 8.15 4.02 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 0.00 150 I 7.70 3.63 2.01 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 1.40 0.77 0.91 0.00 0.00 151 E 8.28 3.89 0.00 2.12 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 2.31 2.47 0.00 152 K 8.07 3.90 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.44 7.81 153 D 7.86 4.31 0.00 2.80 2.86 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 0.00 154 V 7.78 3.71 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 0.85 0.00 0.00 0.98 0.00 0.00 155 R 8.00 4.01 0.00 1.88 2.00 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 156 E 8.26 4.33 0.00 2.08 1.84 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 2.31 2.38 0.00