NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3584 0.0000 0.0000 62.6014 32.5584 174.7962 8 E 4.5378 8.3249 117.5789 52.8061 32.3756 175.6713 9 T 4.1525 8.8785 114.9706 61.4102 71.9033 174.9791 10 L 4.0238 8.4253 122.1293 57.9770 41.6292 179.6168 11 E 3.9866 8.2482 117.8036 59.5989 29.5727 179.1315 12 A 4.0388 7.9174 120.1844 55.1077 18.4107 179.9536 13 R 3.8690 8.1440 116.5889 59.5918 30.3369 179.2006 14 I 3.5289 8.3068 118.7827 63.9104 37.6599 177.7005 15 N 4.2963 8.0710 116.8702 56.0658 38.1232 177.1057 16 R 3.9602 7.9445 119.8364 59.4377 30.0678 178.5085 17 A 4.0487 8.3033 119.3900 53.9987 18.2956 178.0044 18 T 4.0886 7.1062 104.9693 60.7496 69.5714 173.4438 19 N 4.1788 7.6725 121.2562 53.6820 38.8949 173.7365 20 P 4.5374 0.0000 0.0000 64.5451 31.6061 177.1157 21 L 4.2765 8.4171 119.0727 56.4016 41.9609 177.1525 22 N 4.5319 8.6076 117.7367 53.4982 38.8098 175.4217 23 K 4.2227 8.7857 122.5802 58.4023 32.7095 176.5138 24 E 4.9344 7.8638 114.1183 53.9652 32.6556 174.5519 25 L 3.6763 8.6393 118.7787 55.9480 42.1434 178.3088 26 D 4.7418 7.7960 121.9741 52.1554 39.9211 176.5093 27 W 4.2116 8.1997 124.1235 59.2297 29.4173 176.6642 28 A 4.0053 8.4109 119.7192 56.2615 17.6640 179.6208 29 S 4.1193 8.4256 111.8260 61.5337 62.9561 177.2991 30 I 3.6494 7.9035 122.4929 64.5467 36.8048 178.3235 31 N 4.5984 8.6173 117.5262 56.0891 38.4208 177.5804 32 G 3.7536 8.5406 107.6861 47.9575 0.0000 175.4345 33 F 4.0775 8.3968 122.7995 61.3354 39.2234 176.7100 34 C 4.1566 7.9530 114.6834 59.8518 37.8551 175.6503 35 E 3.9613 8.3733 120.5195 59.4019 29.1297 179.1896 36 Q 3.8872 8.0140 119.9354 58.8067 29.0995 178.0367 37 L 3.7808 7.5652 120.7703 58.2514 40.0804 178.3882 38 N 4.5063 7.4506 115.4487 54.1262 38.8995 175.8327 39 E 4.1769 7.8038 117.7058 57.8839 30.3114 176.7486 40 D 4.7418 7.6604 119.1345 52.9996 42.1790 177.1420 41 F 4.1444 8.7797 124.8396 61.1761 39.6819 176.0194 42 E 3.9710 8.2660 117.8930 56.7136 29.6230 178.0358 43 G 4.2962 6.9172 106.0799 48.0207 0.0000 173.8276 44 P 4.3515 0.0000 0.0000 64.1741 31.7961 177.0694 45 P 4.4038 0.0000 0.0000 65.2184 31.3923 178.2522 46 L 3.9238 7.6526 120.3613 58.1044 42.0479 178.8364 47 A 4.1907 8.0637 120.7314 55.4187 18.2890 179.5623 48 T 3.7388 7.9006 111.3639 65.0812 66.9488 176.4957 49 R 4.0049 7.9753 120.3350 59.6060 30.1714 178.5637 50 L 4.1536 8.3626 119.0057 57.6292 41.5054 179.6259 51 L 3.9555 8.3817 118.7657 57.7823 41.4618 178.9131 52 A 4.0305 8.1061 119.3453 55.7880 18.4574 178.7018 53 H 4.2279 7.9737 114.7592 59.5353 29.9738 177.5070 54 K 3.8789 7.8814 119.5630 59.6698 31.6769 179.4652 55 I 3.8137 8.0084 119.0937 63.8079 37.0184 177.4510 56 Q 4.3555 7.3174 116.4115 54.6917 29.1633 175.8719 57 S 4.1524 7.2806 115.9377 57.7491 62.8184 172.8266 58 P 4.2677 0.0000 0.0000 64.6199 31.6356 176.4106 59 Q 4.3691 8.3763 118.9364 54.3222 28.4053 175.7431 60 E 3.9771 8.9302 124.9901 59.2803 29.6230 178.4664 61 W 4.6277 8.2556 127.6177 60.1338 30.9312 177.4572 62 E 3.8079 8.1925 119.0490 59.1988 29.0912 178.7390 63 A 4.1293 7.7872 120.2690 54.9926 18.5598 179.5013 64 I 3.6357 8.1474 118.7561 64.6597 37.2292 178.4994 65 Q 3.5410 7.4271 118.5106 58.8919 28.3636 179.0014 66 A 3.8123 7.5653 121.0623 55.2063 18.2938 179.7223 67 L 4.0553 8.0209 117.3004 57.9238 41.6554 179.8580 68 T 3.8979 7.9647 116.1379 66.3770 68.3331 176.6374 69 V 3.4819 7.6757 120.2210 65.9268 31.4844 177.4019 70 L 4.1097 8.1492 120.1787 58.4665 41.7835 178.2717 71 E 4.2584 8.6472 119.1732 60.0729 29.3058 179.0707 72 T 4.0448 7.9190 113.7945 67.0670 68.7357 175.7816 73 C 4.4023 8.4800 118.3763 60.1410 39.9684 175.9727 74 M 4.1239 8.3927 119.5708 58.3563 31.5998 178.4746 75 K 4.2984 7.8166 117.2644 57.3009 32.5287 177.0127 76 S 4.6600 7.0873 113.8575 56.6719 63.8994 173.7143 77 C 4.2889 8.6212 120.2965 62.4014 27.8477 175.4105 78 G 3.7634 8.0011 107.8887 46.2732 0.0000 173.9034 79 K 4.0002 8.5606 123.3526 58.6600 32.3172 179.3615 80 R 3.8385 7.8436 118.2009 59.1909 30.0647 178.5755 81 F 3.9294 8.0192 119.8583 61.3703 39.5670 176.5118 82 H 3.8557 7.6796 115.4076 59.0512 28.2876 177.4568 83 D 4.2157 8.0518 119.5303 57.2136 40.7834 178.3514 84 E 3.9235 8.0943 119.3363 59.5154 29.2801 179.7684 85 V 3.2532 6.9369 116.5779 64.9421 31.3595 176.7709 86 G 3.8745 7.2092 103.9767 43.8831 0.0000 173.2799 87 K 4.3712 6.9868 120.0664 54.0305 34.3743 177.7179 88 F 4.4763 8.0601 120.8319 60.9680 38.5220 177.7585 89 R 3.9832 8.1708 116.9663 59.4448 30.0442 177.7468 90 F 4.3127 8.0772 119.3754 61.0209 39.7858 177.1928 91 L 3.9881 8.4259 118.9829 58.1140 41.4268 179.2443 92 N 4.3073 8.6915 116.5215 56.4863 38.5640 177.2735 93 E 3.8839 7.8058 119.7626 59.1450 29.0397 179.2559 94 L 4.0745 7.3913 118.6099 57.4511 41.9225 179.2964 95 I 3.7589 7.6954 120.0323 64.2509 36.9300 178.4492 96 K 3.8856 7.8978 119.4070 59.4721 31.6783 179.5375 97 V 3.5805 7.3672 117.4360 65.7239 31.2833 177.9713 98 V 3.9716 7.3826 109.3549 61.3181 31.9637 176.3564 99 S 4.6596 7.5177 115.7112 56.8464 63.4383 173.7121 100 P 4.4318 0.0000 0.0000 64.9615 31.6293 178.3137 101 K 3.8579 8.0306 118.6311 58.7591 33.4927 176.3408 102 Y 4.3796 7.6077 111.6604 58.1875 38.3159 176.3916 103 L 4.4708 5.9007 134.1027 55.6710 43.4187 178.6850 104 G 3.9557 9.3851 109.4586 49.1880 0.0000 176.0480 105 S 4.1575 8.0831 114.3375 60.4906 62.9829 175.0265 106 R 4.4664 7.9898 117.3729 56.3597 31.2308 176.5392 107 T 4.3704 7.3344 115.1047 62.2539 69.6979 175.5264 108 S 4.3177 8.3675 119.9268 58.2675 65.1405 175.0397 109 E 3.9321 8.7670 123.8184 59.3887 29.4789 179.2075 110 K 3.9155 7.9758 119.1740 59.4428 32.3586 178.8299 111 V 3.6094 7.8653 118.4181 66.0916 31.5137 178.2243 112 K 4.0449 8.1576 118.2303 59.5334 31.8848 179.2142 113 N 4.4132 8.8249 117.2191 55.9527 38.4090 177.4730 114 K 3.9918 8.0520 120.9795 59.2743 32.2567 178.8416 115 I 3.6719 7.7590 120.2239 64.4881 37.0688 178.3841 116 L 4.0696 7.8764 119.5568 57.6998 41.4838 178.8867 117 E 3.9046 8.1880 119.2720 59.4456 29.4644 178.9909 118 L 3.3864 7.6447 118.4587 57.5616 41.6416 179.1531 119 L 3.6516 7.3805 118.7867 58.0399 41.5902 179.1263 120 Y 3.1317 7.6846 119.1284 60.5178 38.6947 178.0531 121 S 3.9740 7.8156 115.0584 61.5690 62.6294 176.6431 122 W 4.3878 7.5661 122.4292 59.5425 28.6269 178.5679 123 T 3.8170 7.4948 109.1305 64.6071 67.9822 176.2108 124 V 3.7442 7.0484 119.7347 65.1628 31.7743 177.7890 125 G 3.8102 8.0574 104.2785 45.8704 0.0000 174.1519 126 L 4.8146 7.9443 120.0176 52.7319 41.6184 175.9061 127 P 4.2752 0.0000 0.0000 64.8973 31.9748 178.0062 128 E 4.2205 7.9497 115.9760 57.5269 29.9957 177.3060 129 E 4.2747 8.0915 120.5708 55.3158 27.9562 177.4753 130 V 3.6921 7.7917 116.8178 63.8334 31.8924 177.7996 131 K 4.0332 7.8803 117.9616 59.0508 31.7809 179.3129 132 I 3.8152 7.5582 120.4697 64.2196 37.0793 178.0901 133 A 4.0945 8.0428 121.1400 55.2711 18.3629 179.0444 134 E 3.9573 8.5164 116.8598 59.8079 29.6487 179.3791 135 A 4.1452 8.5807 120.7232 55.5824 18.3830 179.1111 136 Y 3.9990 8.3606 117.8084 61.0798 38.9054 178.1624 137 Q 4.0347 8.8722 119.2602 58.8865 28.8214 178.6519 138 M 4.0031 7.9217 119.2102 58.3489 32.3620 177.9804 139 L 3.9009 7.7764 119.1876 57.8850 41.7858 178.9625 140 K 3.7741 7.8553 119.3483 59.9810 31.7661 178.2437 141 K 3.8159 7.9520 117.6313 59.5780 32.1926 178.2405 142 Q 4.4040 7.6872 114.3783 55.0900 29.0014 176.4616 143 G 3.8935 7.8512 108.1068 46.3241 0.0000 175.3984 144 I 3.6782 7.8566 121.4398 63.9652 37.1357 177.1159 145 V 3.5607 7.2797 122.9395 62.4560 30.5249 175.7613 146 K 4.0823 8.4951 125.6982 56.7680 31.8284 177.2435 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 7 P 0.00 4.36 0.00 2.18 2.17 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 8 E 8.32 4.54 0.00 2.00 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 2.19 2.36 0.00 9 T 8.88 4.15 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 1.21 0.00 0.00 10 L 8.43 4.02 0.00 1.73 1.85 0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.25 3.99 0.00 2.07 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 2.42 2.48 0.00 12 A 7.92 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.14 3.87 0.00 2.20 2.13 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 14 I 8.31 3.53 1.80 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 1.00 0.00 0.00 15 N 8.07 4.30 0.00 2.87 2.84 0.00 0.00 6.98 7.16 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 16 R 7.94 3.96 0.00 2.16 1.89 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 17 A 8.30 4.05 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 18 T 7.11 4.09 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 0.99 0.00 0.00 19 N 7.67 4.18 0.00 2.88 2.91 0.00 0.00 6.96 7.59 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 20 P 0.00 4.54 0.00 2.31 2.21 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 21 L 8.42 4.28 0.00 1.91 1.81 0.94 1.13 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 22 N 8.61 4.53 0.00 2.98 3.13 0.00 0.00 7.00 8.19 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 23 K 8.79 4.22 0.00 1.78 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 24 E 7.86 4.93 0.00 2.12 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 2.23 2.40 0.00 25 L 8.64 3.68 0.00 1.42 0.84 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.80 4.74 0.00 2.68 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 27 W 8.20 4.21 0.00 3.48 3.22 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 28 A 8.41 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 29 S 8.43 4.12 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.90 3.65 1.86 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.92 0.00 0.00 31 N 8.62 4.60 0.00 3.01 2.93 0.00 0.00 6.94 7.18 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 32 G 8.54 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.40 4.08 0.00 3.12 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 34 C 7.95 4.16 0.00 3.09 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 35 E 8.37 3.96 0.00 2.11 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 2.30 2.37 0.00 36 Q 8.01 3.89 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 37 L 7.57 3.78 0.00 1.64 1.27 0.59 -0.08 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 38 N 7.45 4.51 0.00 2.59 2.84 0.00 0.00 7.00 7.33 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 39 E 7.80 4.18 0.00 2.08 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 2.41 2.23 0.00 40 D 7.66 4.74 0.00 2.81 2.59 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 41 F 8.78 4.14 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.27 3.97 0.00 2.03 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 0.00 2.48 2.28 0.00 43 G 6.92 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.07 2.17 0.00 3.52 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 45 P 0.00 4.40 0.00 2.20 2.34 0.00 3.53 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 2.04 1.83 0.00 46 L 7.65 3.92 0.00 1.71 1.84 0.94 1.01 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 47 A 8.06 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.90 3.74 4.38 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 1.32 0.00 0.00 49 R 7.98 4.00 0.00 2.14 2.18 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 50 L 8.36 4.15 0.00 2.02 1.78 1.06 0.95 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 51 L 8.38 3.96 0.00 2.10 1.93 1.14 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.11 4.03 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 53 H 7.97 4.23 0.00 3.26 3.48 0.00 5.60 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 54 K 7.88 3.88 0.00 1.88 1.76 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.55 7.81 55 I 8.01 3.81 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 0.93 0.00 0.00 56 Q 7.32 4.36 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 57 S 7.28 4.15 0.00 3.83 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 58 P 0.00 4.27 0.00 2.09 2.10 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 59 Q 8.38 4.37 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 60 E 8.93 3.98 0.00 2.08 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 0.00 2.50 2.44 0.00 61 W 8.26 4.63 0.00 3.27 3.05 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 62 E 8.19 3.81 0.00 2.07 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 2.22 2.36 0.00 63 A 7.79 4.13 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 64 I 8.15 3.64 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.34 1.08 0.00 0.00 65 Q 7.43 3.54 0.00 1.55 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.17 1.16 0.00 66 A 7.57 3.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.02 4.06 0.00 1.89 1.78 0.95 0.73 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 68 T 7.96 3.90 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 1.07 0.00 0.00 69 V 7.68 3.48 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 0.66 0.00 0.00 0.69 0.00 0.00 70 L 8.15 4.11 0.00 2.05 2.06 1.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.65 4.26 0.00 2.31 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 2.49 2.54 0.00 72 T 7.92 4.04 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 1.43 0.00 0.00 73 C 8.48 4.40 0.00 2.72 2.37 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 74 M 8.39 4.12 0.00 1.99 2.52 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.72 0.00 75 K 7.82 4.30 0.00 1.97 1.95 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.79 7.81 76 S 7.09 4.66 0.00 3.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.62 4.29 0.00 2.99 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 78 G 8.00 3.76 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 79 K 8.56 4.00 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.65 7.81 80 R 7.84 3.84 0.00 1.85 1.88 0.00 3.14 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 81 F 8.02 3.93 0.00 3.01 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 82 H 7.68 3.86 0.00 3.28 3.28 0.00 5.69 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 83 D 8.05 4.22 0.00 2.68 2.62 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 84 E 8.09 3.92 0.00 1.72 1.70 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 2.30 2.44 0.00 85 V 6.94 3.25 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 0.17 0.00 0.00 -0.46 0.00 0.00 86 G 7.21 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 87 K 6.99 4.37 0.00 1.86 1.67 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.44 7.81 88 F 8.06 4.48 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.17 3.98 0.00 1.85 2.03 0.00 3.25 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 1.69 1.76 0.00 90 F 8.08 4.31 0.00 3.15 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 91 L 8.43 3.99 0.00 1.97 1.88 1.18 0.70 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 92 N 8.69 4.31 0.00 2.73 2.78 0.00 0.00 7.04 7.59 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 93 E 7.81 3.88 0.00 1.71 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 2.34 2.41 0.00 94 L 7.39 4.07 0.00 1.80 1.71 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.70 3.76 1.98 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 1.22 0.92 0.00 0.00 96 K 7.90 3.89 0.00 1.86 1.79 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 1.27 7.81 97 V 7.37 3.58 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 1.04 0.00 0.00 0.94 0.00 0.00 98 V 7.38 3.97 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 0.83 0.00 0.00 1.05 0.00 0.00 99 S 7.52 4.66 0.00 4.31 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 0.00 100 P 0.00 4.43 0.00 2.13 2.07 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 101 K 8.03 3.86 0.00 1.44 1.11 0.00 1.52 0.00 0.00 1.07 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.68 1.18 7.81 102 Y 7.61 4.38 0.00 3.33 2.57 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 0.00 0.00 0.00 103 L 5.90 4.47 0.00 1.90 1.72 0.92 1.25 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 0.00 104 G 9.39 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 0.00 105 S 8.08 4.16 0.00 3.87 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 0.00 106 R 7.99 4.47 0.00 1.78 1.96 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 107 T 7.33 4.37 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 1.22 0.00 0.00 108 S 8.37 4.32 0.00 4.06 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.77 3.93 0.00 2.10 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 2.38 2.55 0.00 110 K 7.98 3.92 0.00 1.88 1.96 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.54 7.81 111 V 7.87 3.61 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 0.99 0.00 0.00 0.96 0.00 0.00 112 K 8.16 4.04 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.68 7.81 113 N 8.82 4.41 0.00 2.82 2.86 0.00 0.00 6.63 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 0.00 114 K 8.05 3.99 0.00 2.02 1.98 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 115 I 7.76 3.67 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.94 0.00 0.00 116 L 7.88 4.07 0.00 1.88 1.80 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.19 3.90 0.00 2.09 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 0.00 2.27 2.36 0.00 118 L 7.64 3.39 0.00 1.45 0.36 1.01 0.64 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 0.00 119 L 7.38 3.65 0.00 1.95 1.88 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.68 3.13 0.00 2.92 2.99 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 0.00 0.00 0.00 121 S 7.82 3.97 0.00 4.04 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 0.00 122 W 7.57 4.39 0.00 3.53 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 0.00 123 T 7.49 3.82 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 1.00 0.00 0.00 124 V 7.05 3.74 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 0.76 0.00 0.00 0.33 0.00 0.00 125 G 8.06 3.81 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 0.00 0.00 0.00 126 L 7.94 4.81 0.00 1.67 1.47 0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.28 0.00 2.02 2.09 0.00 3.64 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 2.00 2.22 0.00 128 E 7.95 4.22 0.00 1.93 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 2.28 2.31 0.00 129 E 8.09 4.27 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 130 V 7.79 3.69 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 0.85 0.00 0.00 0.92 0.00 0.00 131 K 7.88 4.03 0.00 1.57 0.95 0.00 1.41 0.00 0.00 0.86 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 1.30 7.81 132 I 7.56 3.82 2.05 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 1.51 0.75 1.18 0.00 0.00 133 A 8.04 4.09 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 0.00 134 E 8.52 3.96 0.00 2.39 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 2.45 2.63 0.00 135 A 8.58 4.15 1.58 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 0.00 0.00 136 Y 8.36 4.00 0.00 3.26 3.20 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 0.00 137 Q 8.87 4.03 0.00 2.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 138 M 7.92 4.00 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 139 L 7.78 3.90 0.00 1.68 1.59 0.95 0.84 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 0.00 140 K 7.86 3.77 0.00 1.74 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.44 7.81 141 K 7.95 3.82 0.00 1.91 1.88 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 142 Q 7.69 4.40 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.31 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 143 G 7.85 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 0.00 144 I 7.86 3.68 1.89 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 1.15 0.82 0.89 0.00 0.00 145 V 7.28 3.56 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 0.66 0.00 0.00 0.27 0.00 0.00 146 K 8.50 4.08 0.00 1.75 1.70 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.41 7.81