NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9613 8.3549 109.7374 45.5320 0.0000 172.6015 2 L 4.3569 8.0903 118.3453 51.1504 43.3597 175.6474 3 S 4.5033 9.5433 118.8207 57.8669 66.1973 174.9589 4 D 4.6442 8.7464 121.9044 57.6684 40.5497 179.3768 5 G 3.6652 8.0892 105.6417 47.7936 0.0000 175.4975 6 E 3.9151 8.1566 120.9290 59.0087 29.5023 179.3750 7 W 4.3904 8.2449 119.1666 59.9220 29.0970 178.3310 8 Q 4.1038 8.4669 119.5133 59.2688 28.3974 178.3686 9 Q 4.0466 8.1680 119.1291 58.8818 28.7841 178.7041 10 V 3.6926 8.0634 119.3851 66.3000 31.3828 177.9892 11 L 4.3254 7.9989 116.5968 56.9103 41.8611 178.6971 12 N 4.4933 8.2241 117.7240 56.6938 38.9676 176.8759 13 V 3.5964 8.1346 119.9651 65.9756 31.6035 177.7859 14 W 4.1983 8.6103 127.9133 60.1316 30.2222 177.9883 15 G 3.6984 7.7295 104.8326 47.6215 0.0000 175.4659 16 K 3.9531 7.9028 120.5905 59.2645 32.0396 179.4836 17 V 2.6905 7.0057 117.7963 65.7708 31.0879 177.7727 18 E 3.8549 7.4455 116.3452 58.8134 29.2608 178.7996 19 A 4.2115 7.3346 120.1437 53.8081 19.8666 177.5983 20 D 4.6576 7.7914 116.6549 52.1447 42.4693 175.2215 21 I 3.6112 7.8410 123.3566 63.5343 38.5273 176.6149 22 A 4.1422 7.4102 122.6367 54.5700 18.3255 179.6959 23 G 3.6470 8.2160 105.5005 47.7657 0.0000 175.6751 24 H 4.1521 8.3851 119.0957 58.3387 28.7093 178.1983 25 G 3.5298 8.4352 107.9719 47.6930 0.0000 175.3612 26 Q 3.8641 8.3541 122.6891 59.1155 29.0289 178.5042 27 E 3.8669 8.1001 119.4004 59.1371 29.3459 179.5757 28 V 3.5079 7.9037 118.4798 66.0724 31.5820 178.1848 29 L 3.4211 7.7239 118.6342 57.5228 41.2380 179.5973 30 I 3.5997 7.7878 120.1618 64.1692 37.0135 178.3858 31 R 3.7757 8.0218 119.6961 59.1831 29.8967 178.2392 32 L 3.9293 7.8384 120.1060 58.4335 41.7436 179.1136 33 F 4.6089 8.1544 118.3023 60.6681 38.5765 177.8379 34 T 4.1075 8.1260 109.1549 64.5312 68.9256 176.9678 35 G 3.6388 7.9382 107.5929 46.2941 0.0000 173.7130 36 H 4.7841 7.9916 117.6757 52.1299 29.7656 171.9396 37 P 4.4706 0.0000 0.0000 64.3765 31.3121 177.5069 38 E 4.1098 8.2462 116.4359 59.4079 29.4175 179.1351 39 T 3.8462 8.1782 111.3498 64.5130 68.8533 176.2703 40 L 3.4943 7.8392 123.0901 57.9388 41.7765 178.7504 41 E 4.1271 7.8397 117.2765 58.6527 29.4426 178.7441 42 K 4.4693 8.0390 117.3845 56.9039 32.7280 177.3153 43 F 4.5917 8.1464 119.0503 55.4105 39.4840 175.4777 44 D 4.4214 8.6058 125.2491 57.2252 40.8462 179.0628 45 K 4.2396 7.8440 114.8729 57.8882 33.1315 177.5366 46 F 5.0863 7.9399 117.5741 57.0620 39.9685 176.8362 47 K 3.9589 7.7524 117.6883 59.5807 31.9115 178.2464 48 H 4.6628 8.1430 113.5866 56.7694 28.9352 175.4901 49 L 4.0802 7.3434 121.4972 54.6994 40.1339 176.6190 50 K 4.3071 9.1797 124.2213 57.1394 33.0634 177.7367 51 T 4.7402 7.5185 108.5052 58.8771 73.2907 174.1761 52 E 3.9308 8.6810 121.4434 59.1506 29.6618 178.7294 53 A 3.9893 7.9717 120.6010 55.3005 18.2517 179.3166 54 E 3.9558 7.9589 115.8304 59.6367 29.9260 179.1522 55 M 4.1305 7.9987 118.7692 58.3973 31.8562 178.7732 56 K 3.9243 8.3038 118.4692 59.0952 32.4568 177.8572 57 A 4.4442 7.7237 118.4449 51.6435 18.6815 177.0108 58 S 4.3693 7.5089 113.6700 57.4294 62.6892 174.7168 59 E 4.0768 8.7887 128.5181 59.1845 29.2375 178.6109 60 D 4.4842 8.1612 118.0279 56.9830 41.3301 177.7813 61 L 3.7797 8.0768 121.1084 57.9329 42.0120 179.1432 62 K 3.9293 7.8045 118.1075 59.1380 31.9674 179.0754 63 K 3.9129 8.1822 119.9341 60.0548 32.0881 178.3192 64 H 4.3949 8.9060 118.8555 59.1339 29.7892 177.3506 65 G 3.6455 8.3336 107.8624 48.0874 0.0000 175.7908 66 T 3.9057 8.0934 118.0972 66.3043 68.4575 176.8837 67 V 3.6849 7.7099 120.1558 65.9403 31.5501 178.2382 68 V 3.5837 8.0674 118.2047 66.2589 31.4083 178.1334 69 L 4.2717 8.1364 118.5191 57.8527 41.3942 179.6558 70 T 3.9858 8.2350 115.9202 66.4608 68.3713 176.4854 71 A 3.9693 8.0505 122.6802 55.1394 18.3956 179.3900 72 L 3.7243 8.1408 119.0675 58.1024 42.0746 179.3706 73 G 3.0932 8.4576 106.0670 47.5171 0.0000 175.8232 74 G 3.6062 7.7694 107.1498 47.4959 0.0000 175.5310 75 I 3.8407 7.5589 122.1568 64.1961 37.1656 178.5638 76 L 3.9723 7.7677 119.9392 57.6188 41.1638 179.4933 77 K 3.9865 7.6075 116.8030 58.1754 32.2840 178.5391 78 K 3.9857 7.8551 118.2985 55.6568 32.6768 176.4751 79 K 2.0000 8.2454 118.1953 56.3766 29.7516 175.9843 80 G 3.9072 7.8691 106.1005 45.7582 0.0000 173.9320 81 H 4.5549 7.3360 119.2506 55.1730 27.3501 174.7872 82 H 5.3964 7.3286 110.9701 53.9971 29.8590 175.8999 83 E 3.9275 8.6804 122.2208 60.3360 28.9909 178.7206 84 A 3.9932 7.9151 118.4415 55.1423 18.7711 178.9393 85 E 4.1096 8.0878 116.7258 59.1864 29.6628 178.8860 86 L 4.0611 8.4000 120.8349 57.4176 42.2061 178.3483 87 K 3.8198 8.2809 120.3436 59.3607 31.9929 176.8462 88 P 4.2957 0.0000 0.0000 65.7824 31.1477 178.3528 89 L 4.0346 7.9058 118.1109 57.5278 41.7131 178.8653 90 A 4.1383 8.2446 120.9623 55.4448 18.2127 179.8035 91 Q 3.8836 8.2599 116.6598 59.0720 28.7361 179.0864 92 S 3.9962 8.3254 115.5593 61.7828 63.1011 176.2740 93 H 4.1447 8.6334 119.6957 58.0985 26.9000 177.7587 94 A 2.5800 7.8517 122.9565 54.5121 17.9640 179.5867 95 T 3.8578 7.4756 106.8703 63.6048 69.4289 175.9670 96 K 4.0391 7.4158 120.8265 58.4984 32.7719 177.1279 97 H 4.3474 7.9079 113.8614 55.8966 29.4645 175.3299 98 K 3.5836 6.7845 115.9817 57.2915 29.3784 176.7436 99 I 4.3113 8.0868 119.3343 58.9734 37.9110 175.0402 100 P 4.4623 0.0000 0.0000 62.3063 31.9927 177.7186 101 I 3.5246 8.4991 120.6543 63.9658 37.7272 178.0778 102 K 3.6543 7.9242 120.2116 59.7109 31.8859 178.0778 103 Y 4.1743 8.0000 116.8543 60.6945 37.7404 178.1272 104 L 4.1795 7.8190 119.8944 57.3886 41.7639 178.7658 105 E 3.9347 7.9698 119.3999 59.2894 29.5545 178.7691 106 F 4.5356 7.9254 117.7909 60.9755 39.0490 177.6512 107 I 3.8439 8.2166 117.9283 63.8631 37.8513 178.1928 108 S 4.2108 8.2464 116.4529 61.7368 62.7347 176.2220 109 D 4.4759 8.4546 121.4048 57.3841 40.4642 178.7480 110 A 4.0757 8.3064 121.3755 55.1159 18.3508 179.7348 111 I 3.6670 7.9157 118.3207 64.6409 37.3367 178.6385 112 I 3.8685 7.7324 120.1716 64.7102 36.8876 177.9780 113 H 4.1945 8.4469 118.9823 59.3714 29.6796 177.5074 114 V 3.5270 8.1748 120.3590 65.8067 31.3869 177.9268 115 L 3.8400 7.9501 118.7678 58.1928 41.4395 179.2895 116 H 4.3715 8.1384 115.7949 58.9191 28.3882 177.9053 117 S 4.1549 7.9854 114.4366 61.0309 62.3301 175.7924 118 K 4.1206 8.1713 119.8050 57.5361 33.1654 176.5918 119 H 4.9744 7.9112 116.4464 53.8046 29.5032 171.9455 120 P 4.5661 0.0000 0.0000 63.6426 31.9095 177.4384 121 G 3.9948 9.1648 110.6042 45.6231 0.0000 173.0468 122 D 4.9581 8.3034 117.9073 53.7199 41.5459 175.9958 123 F 5.0094 7.9559 120.1242 54.9028 39.4588 174.9170 124 G 3.8101 8.1173 112.5462 43.3698 0.0000 170.8558 125 A 3.8962 8.3743 122.1283 55.0285 18.3132 179.7075 126 D 4.2291 7.9961 116.9064 56.5739 39.4065 178.5405 127 A 3.9962 7.8094 121.8467 54.7876 18.4065 179.1649 128 Q 3.6214 7.9266 118.6009 58.9763 29.0353 178.6314 129 G 3.5724 7.9696 106.4904 47.7988 0.0000 175.5189 130 A 3.8656 8.0379 123.5915 54.9875 18.4395 179.3968 131 M 4.0472 8.4157 117.1034 59.0246 32.2265 178.5600 132 T 3.9075 8.2550 116.1542 66.6188 68.6463 176.6129 133 K 3.9682 8.1025 120.1152 59.5188 32.0621 179.2329 134 A 3.8611 7.9579 120.8415 55.1674 18.2377 179.7606 135 L 4.1002 8.1670 117.5484 57.8647 41.6729 179.6100 136 E 4.0063 8.5121 118.9882 59.0818 29.2875 179.0449 137 L 3.9652 8.1553 120.5369 58.0309 42.2199 178.5331 138 F 4.1363 8.3777 120.5899 61.5907 39.2476 177.0652 139 R 3.5564 8.3278 118.1889 59.2875 29.8582 177.9727 140 N 4.2358 8.6292 117.2095 56.8526 38.8548 176.6858 141 D 4.3621 8.3471 120.5507 57.2026 40.7746 178.8138 142 I 3.5043 7.5615 120.2096 64.2356 36.9843 178.2206 143 A 3.7456 8.1131 121.7281 55.0477 18.0926 179.5615 144 A 3.9433 7.9412 119.2758 55.3002 18.5708 180.0762 145 K 4.0256 7.8975 117.1927 59.6713 32.0532 179.1674 146 Y 4.1994 8.5244 117.4833 61.1012 37.8139 178.7091 147 K 3.9846 8.4572 120.6417 59.3215 32.0657 178.1974 148 E 3.9396 7.9943 118.8532 59.3532 29.6343 178.2761 149 L 4.3704 7.7192 115.2970 54.1982 42.0078 177.2511 150 G 3.8933 7.7345 106.8808 46.2659 0.0000 173.3386 151 F 4.5963 8.1783 121.4751 56.9430 40.2951 175.6665 152 Q 3.7222 7.2762 124.8427 55.9365 29.4291 175.0789 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 1 G 8.35 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 2 L 8.09 4.36 0.00 0.47 0.70 0.51 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.54 4.50 0.00 4.04 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 4 D 8.75 4.64 0.00 2.77 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 5 G 8.09 3.67 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 0.00 0.00 0.00 6 E 8.16 3.92 0.00 2.03 1.74 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 2.23 2.27 0.00 7 W 8.24 4.39 0.00 3.51 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 8 Q 8.47 4.10 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.17 4.05 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 10 V 8.06 3.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.89 0.00 0.00 11 L 8.00 4.33 0.00 1.78 1.80 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.22 4.49 0.00 2.94 3.01 0.00 0.00 6.64 7.44 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 13 V 8.13 3.60 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 0.82 0.00 0.00 1.17 0.00 0.00 14 W 8.61 4.20 0.00 3.62 3.23 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 15 G 7.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.90 3.95 0.00 1.60 1.47 0.00 1.43 0.00 0.00 0.97 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.37 7.81 17 V 7.01 2.69 0.67 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 0.11 0.00 0.00 0.12 0.00 0.00 18 E 7.45 3.85 0.00 1.99 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 2.29 2.14 0.00 19 A 7.33 4.21 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 20 D 7.79 4.66 0.00 2.71 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 21 I 7.84 3.61 1.79 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 1.26 0.89 0.00 0.00 22 A 7.41 4.14 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 23 G 8.22 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 0.00 0.00 0.00 24 H 8.39 4.15 0.00 3.15 3.22 0.00 5.82 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 25 G 8.44 3.53 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 0.00 0.00 0.00 26 Q 8.35 3.86 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.10 3.87 0.00 1.97 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 2.25 2.39 0.00 28 V 7.90 3.51 2.16 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 1.09 0.00 0.00 0.95 0.00 0.00 29 L 7.72 3.42 0.00 1.34 0.75 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.79 3.60 1.77 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 1.35 0.61 0.86 0.00 0.00 31 R 8.02 3.78 0.00 1.93 2.10 0.00 3.03 0.00 0.00 2.94 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 32 L 7.84 3.93 0.00 1.78 1.45 1.07 1.05 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 33 F 8.15 4.61 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.13 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 1.23 0.00 0.00 35 G 7.94 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.99 4.78 0.00 3.08 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.15 2.10 0.00 3.84 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 2.09 1.99 0.00 38 E 8.25 4.11 0.00 2.30 2.30 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 2.23 2.55 0.00 39 T 8.18 3.85 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 0.73 0.00 0.00 40 L 7.84 3.49 0.00 1.39 1.71 -0.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.84 4.13 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 42 K 8.04 4.47 0.00 1.96 1.79 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.77 2.01 7.81 43 F 8.15 4.59 0.00 3.25 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 44 D 8.61 4.42 0.00 2.67 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 45 K 7.84 4.24 0.00 1.63 1.75 0.00 1.35 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.93 0.21 7.81 46 F 7.94 5.09 0.00 2.80 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 47 K 7.75 3.96 0.00 1.92 1.90 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.76 7.81 48 H 8.14 4.66 0.00 3.33 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.34 4.08 0.00 1.62 1.60 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.18 4.31 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.51 7.81 51 T 7.52 4.74 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 1.20 0.00 0.00 52 E 8.68 3.93 0.00 2.04 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 2.35 2.35 0.00 53 A 7.97 3.99 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 54 E 7.96 3.96 0.00 2.12 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 2.36 2.35 0.00 55 M 8.00 4.13 0.00 2.04 2.23 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 2.82 2.51 0.00 56 K 8.30 3.92 0.00 1.79 1.93 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 57 A 7.72 4.44 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 58 S 7.51 4.37 0.00 4.05 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 59 E 8.79 4.08 0.00 2.05 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 2.32 0.00 60 D 8.16 4.48 0.00 2.91 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 61 L 8.08 3.78 0.00 1.37 1.66 0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.93 0.00 2.02 1.84 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.18 3.91 0.00 2.00 2.15 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.91 4.39 0.00 3.63 3.59 0.00 5.84 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 65 G 8.33 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 0.00 0.00 0.00 66 T 8.09 3.91 4.43 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 1.23 0.00 0.00 67 V 7.71 3.68 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 1.04 0.00 0.00 1.02 0.00 0.00 68 V 8.07 3.58 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 1.07 0.00 0.00 0.99 0.00 0.00 69 L 8.14 4.27 0.00 1.80 1.85 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.23 3.99 4.47 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 1.26 0.00 0.00 71 A 8.05 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 72 L 8.14 3.72 0.00 1.62 1.79 0.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 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 0.00 0.00 0.00 74 G 7.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.56 3.84 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.95 0.00 0.00 76 L 7.77 3.97 0.00 1.26 1.52 0.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 3.99 0.00 1.77 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.53 7.81 78 K 7.86 3.99 0.00 1.83 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.74 7.81 79 K 8.25 2.00 0.00 1.21 0.74 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.41 0.83 7.81 80 G 7.87 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 81 H 7.34 4.55 0.00 3.15 3.23 0.00 5.79 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 82 H 7.33 5.40 0.00 3.27 3.42 0.00 5.67 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 83 E 8.68 3.93 0.00 2.12 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 2.40 2.48 0.00 84 A 7.92 3.99 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 85 E 8.09 4.11 0.00 2.23 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 2.39 2.43 0.00 86 L 8.40 4.06 0.00 1.74 1.70 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.28 3.82 0.00 1.94 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.30 0.00 2.33 2.31 0.00 3.69 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 2.24 2.08 0.00 89 L 7.91 4.03 0.00 1.91 1.79 1.02 0.86 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 90 A 8.24 4.14 1.44 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 91 Q 8.26 3.88 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 92 S 8.33 4.00 0.00 3.93 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 93 H 8.63 4.14 0.00 3.49 3.56 0.00 5.81 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 94 A 7.85 2.58 0.24 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 95 T 7.48 3.86 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 1.03 0.00 0.00 96 K 7.42 4.04 0.00 1.54 1.62 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 7.91 4.35 0.00 3.02 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.78 3.58 0.00 1.93 2.00 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 99 I 8.09 4.31 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 1.19 0.00 0.00 100 P 0.00 4.46 0.00 1.66 1.69 0.00 2.46 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.77 0.00 101 I 8.50 3.52 1.72 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.84 0.00 0.00 102 K 7.92 3.65 0.00 1.74 1.61 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 0.52 7.81 103 Y 8.00 4.17 0.00 3.21 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 0.00 104 L 7.82 4.18 0.00 1.78 1.74 0.67 0.99 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 0.00 105 E 7.97 3.93 0.00 1.99 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 2.39 2.39 0.00 106 F 7.93 4.54 0.00 3.26 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 0.00 107 I 8.22 3.84 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 1.13 0.00 0.00 108 S 8.25 4.21 0.00 4.19 3.99 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 0.00 109 D 8.45 4.48 0.00 3.01 2.82 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 0.00 110 A 8.31 4.08 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 0.00 111 I 7.92 3.67 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 0.99 0.00 0.00 112 I 7.73 3.87 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 1.15 0.00 0.00 113 H 8.45 4.19 0.00 3.32 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.17 3.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.03 0.00 0.00 115 L 7.95 3.84 0.00 1.33 0.63 0.45 0.63 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 0.00 116 H 8.14 4.37 0.00 3.41 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.15 0.00 3.72 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 0.00 118 K 8.17 4.12 0.00 1.54 1.45 0.00 1.61 0.00 0.00 1.26 0.00 0.00 2.51 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.26 1.45 7.81 119 H 7.91 4.97 0.00 3.25 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.57 0.00 2.19 2.08 0.00 3.39 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.16 3.99 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 0.00 0.00 0.00 122 D 8.30 4.96 0.00 2.63 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.96 5.01 0.00 2.77 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 0.00 124 G 8.12 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 0.00 125 A 8.37 3.90 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 8.00 4.23 0.00 3.12 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 0.00 127 A 7.81 4.00 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 0.00 128 Q 7.93 3.62 0.00 1.19 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 129 G 7.97 3.57 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 0.00 0.00 0.00 130 A 8.04 3.87 1.35 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 0.00 0.00 0.00 131 M 8.42 4.05 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 8.26 3.91 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 1.25 0.00 0.00 133 K 8.10 3.97 0.00 1.81 1.67 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 7.96 3.86 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 0.00 135 L 8.17 4.10 0.00 1.90 1.82 1.00 0.75 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 0.00 136 E 8.51 4.01 0.00 2.15 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 2.45 0.00 137 L 8.16 3.97 0.00 1.90 1.98 0.99 1.00 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 0.00 138 F 8.38 4.14 0.00 3.13 3.31 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 0.00 139 R 8.33 3.56 0.00 2.11 2.02 0.00 3.19 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 1.54 1.51 0.00 140 N 8.63 4.24 0.00 2.93 2.90 0.00 0.00 7.25 8.53 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 0.00 141 D 8.35 4.36 0.00 2.76 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 0.00 142 I 7.56 3.50 1.48 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.16 0.30 0.00 0.00 143 A 8.11 3.75 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.94 3.94 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 0.00 145 K 7.90 4.03 0.00 1.97 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.63 7.81 146 Y 8.52 4.20 0.00 3.13 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 0.00 147 K 8.46 3.98 0.00 1.86 1.97 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.99 3.94 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 149 L 7.72 4.37 0.00 1.80 1.65 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.73 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 0.00 151 F 8.18 4.60 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.28 3.72 0.00 1.74 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00