NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9692 8.3549 109.7389 45.6137 0.0000 172.6053 2 L 4.4142 8.2528 121.5956 51.0790 43.6301 175.3869 3 S 4.4800 9.5181 119.0382 57.9248 66.1219 174.9501 4 D 4.6659 8.8006 122.1805 57.7307 40.5393 179.4152 5 G 3.6785 8.1132 105.5351 47.8464 0.0000 175.4280 6 E 3.9057 8.2485 120.9694 58.9777 29.4162 179.4126 7 W 4.3852 8.3800 119.3732 59.9320 29.1157 178.3500 8 Q 4.0700 8.4167 119.5134 59.2619 28.4258 178.3605 9 Q 4.0500 8.2058 119.2261 58.7876 28.7149 178.6292 10 V 3.6891 8.0808 119.4937 66.3596 31.7558 178.1585 11 L 4.2509 8.3930 118.1840 57.1749 41.2146 179.0668 12 N 4.3543 8.1494 116.9408 56.6542 39.2521 176.6193 13 V 3.7243 8.0928 119.8396 65.9203 31.6145 177.8095 14 W 4.1472 8.6142 128.2015 60.1876 29.9633 177.9257 15 G 3.7417 8.1222 105.5525 47.8433 0.0000 175.7688 16 K 3.8746 7.5717 119.7158 59.1998 32.3175 179.2835 17 V 2.8251 7.0389 117.9391 65.7032 31.1072 177.7915 18 E 3.8255 7.5141 116.7084 58.7983 29.2839 178.8154 19 A 4.2048 7.2787 119.3103 53.8834 19.7711 177.6730 20 D 4.6547 7.6331 116.5836 52.2777 42.7539 175.2274 21 I 3.6311 7.8719 123.3952 63.5671 38.4753 176.6918 22 A 4.0555 7.9646 121.3810 54.9719 18.3025 179.7171 23 G 3.6126 8.1684 105.6031 47.8216 0.0000 175.7627 24 H 4.1711 8.3715 119.1881 58.2416 28.6704 178.2291 25 G 3.5314 8.3122 107.8501 47.6915 0.0000 175.3830 26 Q 3.8428 8.2903 122.7101 59.1101 29.0115 178.5191 27 E 3.8554 8.0088 119.3526 59.1172 29.3489 179.5874 28 V 3.4972 7.8302 118.4109 66.0536 31.5583 178.1942 29 L 3.3947 7.6658 118.6726 57.4632 41.2207 179.5846 30 I 3.5761 7.6948 120.0371 64.1672 37.0045 178.2964 31 R 3.7762 8.0008 119.7074 59.2862 29.8880 178.2173 32 L 3.9359 7.8060 119.9650 58.4113 41.6147 179.0845 33 F 4.6065 8.1485 118.2546 60.6804 38.5999 177.9062 34 T 4.1012 8.1715 109.2349 64.6328 68.8860 176.9665 35 G 3.6070 8.0279 107.7078 46.4001 0.0000 173.6642 36 H 4.7867 8.0694 117.5696 52.0298 29.6850 171.8971 37 P 4.5351 0.0000 0.0000 64.4754 31.3381 177.4738 38 E 4.0790 8.3204 116.4449 59.6542 29.2481 179.2289 39 T 3.8479 8.2086 111.2383 64.5002 68.7716 176.2536 40 L 3.4986 7.8409 123.1003 57.8865 41.7813 178.6184 41 E 4.1234 7.8851 117.1036 58.3620 29.4712 178.5383 42 K 4.4760 8.0238 117.4578 56.6871 32.9347 176.8919 43 F 4.6323 8.1916 119.2686 55.2318 38.7529 175.5446 44 D 4.3804 8.6832 126.5743 56.9660 40.7651 178.2977 45 K 4.1762 7.8052 115.0905 57.3572 33.1986 176.8973 46 F 5.0660 8.0210 117.7573 57.0501 40.5429 177.0091 47 K 3.9952 8.1222 119.7327 59.2840 32.5087 177.7965 48 H 4.2692 8.1161 114.2870 57.4937 28.7793 175.3362 49 L 4.0953 7.5643 120.5140 54.5519 40.3343 176.5254 50 K 4.3027 9.0652 124.6338 57.2471 33.1192 177.8169 51 T 4.7422 7.5276 108.1683 58.8647 73.2559 174.2034 52 E 3.9153 8.6736 121.5652 59.2079 29.6378 178.7148 53 A 3.9754 8.0028 120.4730 55.3680 18.2379 179.3075 54 E 3.9364 7.9379 115.6320 59.6952 29.9160 179.2049 55 M 4.1469 8.0745 118.7160 58.4051 31.8666 178.8134 56 K 4.0593 8.3617 118.3828 58.9464 32.4282 177.7466 57 A 4.5199 7.7083 118.5767 51.4048 19.0791 176.9417 58 S 4.3872 7.5575 113.6972 57.2802 62.4923 174.6637 59 E 4.0354 8.8187 128.8934 59.3993 29.1848 178.7086 60 D 4.4346 8.1781 117.8773 57.1276 41.2703 177.8902 61 L 3.7062 8.0508 120.9488 57.7691 41.9865 178.8436 62 K 3.8792 7.8617 119.8475 59.1928 32.1236 178.5983 63 K 3.9202 8.3148 120.0889 59.9949 32.0875 178.2526 64 H 4.4143 8.8139 118.8007 59.1407 29.7575 177.2740 65 G 3.6648 8.4653 107.9607 48.1472 0.0000 175.7077 66 T 3.8781 8.1137 118.1290 66.4048 68.5020 176.8465 67 V 3.6050 7.8084 120.1158 65.9139 31.4955 178.2426 68 V 3.5928 8.0961 118.2309 66.2428 31.4242 178.1550 69 L 4.2746 8.2061 118.5788 57.7932 41.4109 179.6829 70 T 4.0000 8.3350 116.1024 66.4276 68.3732 176.4689 71 A 3.9742 8.0663 122.7008 55.1622 18.4363 179.3665 72 L 3.7105 8.1334 119.0230 58.1504 42.0706 179.4133 73 G 3.0258 8.4465 106.1015 47.4751 0.0000 175.8353 74 G 3.6132 7.7836 107.1792 47.4964 0.0000 175.6186 75 I 3.8495 7.5811 122.0339 64.1949 37.1095 178.4595 76 L 3.9767 7.8595 120.1790 57.7382 41.2054 179.5502 77 K 3.9563 7.7320 116.4831 58.1415 32.2606 178.5204 78 K 3.9971 7.8465 118.3378 55.6524 32.5695 176.5364 79 K 2.0000 8.3970 118.3981 56.3211 29.8440 175.8747 80 G 3.8742 7.8876 106.3576 45.7508 0.0000 174.0790 81 H 4.5488 7.4297 119.1903 55.2851 27.4313 174.8839 82 H 5.4514 7.3616 111.0336 54.1674 29.8025 175.8850 83 E 3.9294 8.5793 122.6020 60.2066 29.0070 178.7742 84 A 4.0384 7.9112 118.7117 54.9485 17.2949 178.8959 85 E 4.1260 8.0848 116.8027 59.0384 29.7247 178.7147 86 L 4.2338 8.3561 120.7163 57.3830 42.2238 178.4024 87 K 3.8297 8.3487 120.3820 59.2153 32.0222 176.8253 88 P 4.2520 0.0000 0.0000 65.9282 31.0746 178.2915 89 L 4.0407 7.5371 116.6039 57.4996 41.5773 179.2661 90 A 4.0407 8.2578 120.9787 55.3668 18.2330 179.7863 91 Q 3.9674 8.3831 116.9642 58.9492 28.7791 178.9849 92 S 3.9989 8.4147 115.7307 61.7955 63.0075 176.3492 93 H 4.1784 8.6127 119.6177 58.0752 27.9038 177.7601 94 A 2.5800 7.9150 122.6852 54.8267 18.0285 179.6318 95 T 3.7764 7.4765 112.5396 65.4274 68.9384 176.9196 96 K 4.0341 7.4947 119.6812 59.1182 32.8535 177.7311 97 H 4.4589 7.8269 113.7511 55.0384 29.8370 175.1642 98 K 3.6862 7.5736 117.8125 56.4997 28.9595 176.5656 99 I 4.3218 7.9279 120.1235 58.8452 37.8549 174.9686 100 P 4.5068 0.0000 0.0000 62.2724 31.9489 177.3636 101 I 3.6711 8.5343 119.4435 64.1284 37.7008 177.9656 102 K 3.6495 7.9576 120.1720 59.7467 31.8879 178.1217 103 Y 4.1588 8.0349 116.8054 60.7954 37.7493 178.1943 104 L 4.2034 7.8785 119.8010 57.4150 41.7745 178.8751 105 E 3.9476 8.0642 119.5673 59.2378 29.6290 178.6400 106 F 4.5300 8.1181 118.0406 61.0504 39.0593 177.6628 107 I 3.8979 8.2039 117.8234 63.8245 37.7005 178.1308 108 S 4.2179 8.2319 116.4237 61.8007 62.7183 176.3231 109 D 4.4737 8.4342 121.3201 57.3023 40.4490 178.7180 110 A 4.0544 8.2218 121.3561 55.1621 18.3509 179.6834 111 I 3.6692 7.9815 118.3156 64.6968 37.3076 178.7578 112 I 3.8699 7.7323 120.2152 64.5656 36.8922 177.9885 113 H 4.1721 8.4921 119.1784 59.4008 29.6593 177.5850 114 V 3.5718 8.2154 120.3937 65.7521 31.3568 177.9402 115 L 3.8001 7.9668 118.9188 58.1288 41.1209 179.2720 116 H 4.3741 7.9117 114.6898 58.8713 28.6943 177.5569 117 S 4.1805 7.9696 114.3562 61.0268 62.3402 175.7668 118 K 4.1316 8.0775 119.5173 57.3859 33.2463 176.5457 119 H 4.9639 7.9896 116.3793 53.8128 29.4405 171.9323 120 P 4.5338 0.0000 0.0000 64.0904 31.9674 177.5121 121 G 3.9818 9.1537 110.6565 45.6679 0.0000 172.9738 122 D 4.9683 8.3795 117.8383 53.7067 41.6480 176.0739 123 F 4.9761 7.9826 119.8847 55.1745 39.3806 174.6996 124 G 3.8523 7.9913 112.8913 43.0984 0.0000 170.7508 125 A 3.9187 8.3258 121.3071 55.0392 18.2226 179.5425 126 D 4.2184 7.9615 116.9723 56.5052 39.5108 178.4898 127 A 3.9637 7.7848 121.8583 54.8678 18.3992 179.2189 128 Q 3.5445 7.9533 118.5903 58.8982 29.0095 178.6374 129 G 3.5169 8.0352 106.5444 47.7414 0.0000 175.5821 130 A 3.8576 8.0684 123.6816 54.9753 18.4202 179.4003 131 M 4.0314 8.3078 116.8881 58.9795 32.2101 178.4950 132 T 3.9052 8.2344 116.1777 66.6735 68.6464 176.6024 133 K 4.0133 8.0114 120.0405 59.4641 32.0615 179.2624 134 A 3.8509 7.9621 120.9385 55.1591 18.2009 179.7515 135 L 4.1012 8.1706 117.5430 57.7669 41.6336 179.5595 136 E 3.9926 8.5385 119.0450 59.2405 29.4048 179.0646 137 L 3.9787 8.1361 120.4333 58.0250 42.1741 178.5655 138 F 4.1526 8.3860 120.5778 61.5902 39.2463 177.1211 139 R 3.5742 8.4196 118.4306 59.3190 29.9314 177.9960 140 N 4.2400 8.5858 117.3690 56.7004 38.8179 176.7163 141 D 4.3545 8.2265 120.4460 57.1563 40.7804 178.7932 142 I 3.4227 7.4449 120.2455 64.1928 36.9500 178.2744 143 A 3.7495 8.0060 121.6256 54.9908 18.1660 179.5621 144 A 3.9351 7.8839 119.2203 55.2574 18.4464 180.0670 145 K 4.0148 7.8597 117.2272 59.6953 32.0497 179.1800 146 Y 4.3011 8.4687 117.4958 61.0933 37.8090 178.6273 147 K 3.9644 8.4778 120.7256 59.3577 32.0580 178.2338 148 E 3.9372 7.9317 118.5555 59.4909 29.6881 178.5527 149 L 4.2684 7.8910 116.1591 54.9787 41.7868 177.6966 150 G 3.8718 7.7412 106.7255 46.1367 0.0000 173.1535 151 F 4.2952 8.2722 122.0716 58.0249 40.0345 175.6151 152 Q 3.4575 7.6894 125.4522 56.2541 28.1779 173.2605 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 3.97 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 2 L 8.25 4.41 0.00 0.61 0.71 0.51 -0.81 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 3 S 9.52 4.48 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 4 D 8.80 4.67 0.00 2.77 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 5 G 8.11 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.25 3.91 0.00 2.06 1.72 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 2.23 2.27 0.00 7 W 8.38 4.39 0.00 3.53 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 8 Q 8.42 4.07 0.00 2.31 2.34 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 8.21 4.05 0.00 2.34 2.17 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 2.50 0.00 10 V 8.08 3.69 2.49 0.00 0.00 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 0.84 0.00 0.00 11 L 8.39 4.25 0.00 1.84 1.80 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.15 4.35 0.00 2.90 3.05 0.00 0.00 7.12 7.00 0.00 0.00 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 8.09 3.72 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 0.85 0.00 0.00 1.18 0.00 0.00 14 W 8.61 4.15 0.00 3.62 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.12 3.74 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 0.00 0.00 0.00 16 K 7.57 3.87 0.00 1.62 1.51 0.00 1.52 0.00 0.00 1.23 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.32 7.81 17 V 7.04 2.83 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 0.07 0.00 0.00 0.25 0.00 0.00 18 E 7.51 3.83 0.00 1.98 1.93 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 2.28 2.07 0.00 19 A 7.28 4.20 1.25 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 0.00 0.00 0.00 20 D 7.63 4.65 0.00 2.71 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 0.00 0.00 0.00 0.00 21 I 7.87 3.63 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.89 0.00 0.00 22 A 7.96 4.06 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 8.17 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 24 H 8.37 4.17 0.00 3.08 3.23 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 8.31 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 8.29 3.84 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 27 E 8.01 3.86 0.00 1.98 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 2.41 0.00 28 V 7.83 3.50 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 1.08 0.00 0.00 0.95 0.00 0.00 29 L 7.67 3.39 0.00 1.32 0.70 0.79 0.52 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 30 I 7.69 3.58 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 1.34 0.67 0.86 0.00 0.00 31 R 8.00 3.78 0.00 1.92 2.08 0.00 3.03 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.81 3.94 0.00 1.77 1.44 1.08 0.96 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 33 F 8.15 4.61 0.00 3.00 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 34 T 8.17 4.10 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 1.22 0.00 0.00 35 G 8.03 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 36 H 8.07 4.79 0.00 3.06 2.99 0.00 5.64 0.00 0.00 0.00 0.00 6.87 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 4.54 0.00 2.15 2.10 0.00 3.85 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 2.09 1.99 0.00 38 E 8.32 4.08 0.00 2.30 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 0.00 2.20 2.55 0.00 39 T 8.21 3.85 4.49 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.84 3.50 0.00 1.41 1.71 -0.16 1.16 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 7.89 4.12 0.00 2.19 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 2.53 0.00 42 K 8.02 4.48 0.00 1.90 1.75 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.74 1.97 7.81 43 F 8.19 4.63 0.00 3.28 2.94 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 44 D 8.68 4.38 0.00 2.63 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 45 K 7.81 4.18 0.00 1.58 1.72 0.00 1.35 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.86 0.21 7.81 46 F 8.02 5.07 0.00 2.79 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 47 K 8.12 4.00 0.00 1.86 1.96 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.45 7.81 48 H 8.12 4.27 0.00 3.28 3.50 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.56 4.10 0.00 1.64 1.62 0.87 1.20 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 50 K 9.07 4.30 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.51 7.81 51 T 7.53 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 1.21 0.00 0.00 52 E 8.67 3.92 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 2.36 0.00 53 A 8.00 3.98 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 7.94 3.94 0.00 2.14 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 8.07 4.15 0.00 2.05 2.22 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 2.83 2.53 0.00 56 K 8.36 4.06 0.00 1.74 1.95 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.71 4.52 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 7.56 4.39 0.00 4.07 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 59 E 8.82 4.04 0.00 2.06 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 8.18 4.43 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.05 3.71 0.00 1.46 1.68 0.66 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.86 3.88 0.00 1.79 1.97 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.57 7.81 63 K 8.31 3.92 0.00 2.03 2.13 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.81 4.41 0.00 3.65 3.55 0.00 5.85 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 8.47 3.66 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 0.00 0.00 0.00 66 T 8.11 3.88 4.45 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 1.24 0.00 0.00 67 V 7.81 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.03 0.00 0.00 68 V 8.10 3.59 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 1.05 0.00 0.00 0.96 0.00 0.00 69 L 8.21 4.27 0.00 1.80 1.88 0.84 0.76 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 70 T 8.34 4.00 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 71 A 8.07 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.13 3.71 0.00 1.60 1.76 -0.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.45 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 0.00 0.00 0.00 74 G 7.78 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 7.58 3.85 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.97 0.00 0.00 76 L 7.86 3.98 0.00 1.08 1.56 0.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 3.96 0.00 1.62 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.44 7.81 78 K 7.85 4.00 0.00 1.84 1.79 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.58 1.76 7.81 79 K 8.40 2.00 0.00 1.15 0.74 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.42 0.98 7.81 80 G 7.89 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 81 H 7.43 4.55 0.00 3.15 3.22 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 7.36 5.45 0.00 3.27 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.93 0.00 2.12 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 2.47 0.00 84 A 7.91 4.04 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 8.08 4.13 0.00 2.22 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 2.42 0.00 86 L 8.36 4.23 0.00 1.64 1.70 0.67 0.47 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 87 K 8.35 3.83 0.00 1.92 1.84 0.00 1.85 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 1.47 7.81 88 P 0.00 4.25 0.00 2.32 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 2.28 2.15 0.00 89 L 7.54 4.04 0.00 1.87 1.78 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.26 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.38 3.97 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 92 S 8.41 4.00 0.00 3.93 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 0.00 93 H 8.61 4.18 0.00 3.49 3.57 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 7.91 2.58 0.37 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 95 T 7.48 3.78 4.14 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 1.11 0.00 0.00 96 K 7.49 4.03 0.00 1.57 1.60 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.40 7.81 97 H 7.83 4.46 0.00 3.17 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.57 3.69 0.00 1.94 2.00 0.00 1.85 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.35 7.81 99 I 7.93 4.32 2.09 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 1.55 0.98 1.19 0.00 0.00 100 P 0.00 4.51 0.00 1.87 1.86 0.00 2.99 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 101 I 8.53 3.67 1.94 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.90 0.00 0.00 102 K 7.96 3.65 0.00 1.69 1.58 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.76 1.10 7.81 103 Y 8.03 4.16 0.00 3.24 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 0.00 104 L 7.88 4.20 0.00 1.82 1.74 0.73 0.97 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 0.00 105 E 8.06 3.95 0.00 2.00 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 2.40 2.39 0.00 106 F 8.12 4.53 0.00 3.29 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 0.00 107 I 8.20 3.90 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 1.13 0.00 0.00 108 S 8.23 4.22 0.00 4.21 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 8.43 4.47 0.00 3.00 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 8.22 4.05 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 0.00 111 I 7.98 3.67 2.12 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 1.58 0.76 0.98 0.00 0.00 112 I 7.73 3.87 2.13 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 1.53 1.16 0.00 0.00 113 H 8.49 4.17 0.00 3.31 3.50 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 8.22 3.57 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 0.98 0.00 0.00 1.01 0.00 0.00 115 L 7.97 3.80 0.00 1.21 0.42 0.51 0.61 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 7.91 4.37 0.00 3.35 3.38 0.00 5.66 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 0.00 117 S 7.97 4.18 0.00 3.81 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 0.00 118 K 8.08 4.13 0.00 1.56 1.45 0.00 1.63 0.00 0.00 1.25 0.00 0.00 2.50 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.26 1.40 7.81 119 H 7.99 4.96 0.00 3.23 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 4.53 0.00 2.19 2.08 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 121 G 9.15 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 0.00 122 D 8.38 4.97 0.00 2.62 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 7.98 4.98 0.00 2.77 2.81 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 0.00 124 G 7.99 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 0.00 125 A 8.33 3.92 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 7.96 4.22 0.00 3.02 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 0.00 127 A 7.78 3.96 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 7.95 3.54 0.00 1.18 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 129 G 8.04 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.07 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 0.00 131 M 8.31 4.03 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 2.35 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 8.23 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 133 K 8.01 4.01 0.00 1.81 1.67 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 7.96 3.85 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 0.00 135 L 8.17 4.10 0.00 1.90 1.82 1.00 0.72 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 0.00 136 E 8.54 3.99 0.00 2.16 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 2.35 2.47 0.00 137 L 8.14 3.98 0.00 1.89 1.97 0.99 1.00 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 0.00 138 F 8.39 4.15 0.00 3.19 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 8.42 3.57 0.00 2.10 2.04 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 140 N 8.59 4.24 0.00 2.95 2.78 0.00 0.00 7.23 8.13 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 0.00 141 D 8.23 4.35 0.00 2.75 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 0.00 142 I 7.44 3.42 1.48 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.18 0.09 0.00 0.00 143 A 8.01 3.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.88 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 7.86 4.01 0.00 1.92 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.61 7.81 146 Y 8.47 4.30 0.00 3.16 3.07 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 0.00 0.00 0.00 147 K 8.48 3.96 0.00 1.85 1.97 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.93 3.94 0.00 2.06 2.25 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 2.34 2.38 0.00 149 L 7.89 4.27 0.00 1.84 1.70 0.87 0.95 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 0.00 150 G 7.74 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 0.00 151 F 8.27 4.30 0.00 2.71 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 0.00 152 Q 7.69 3.46 0.00 1.53 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00