NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5033 8.2785 119.2063 51.4846 39.8016 175.8646 4 A 3.4961 9.1111 117.4806 51.2958 16.4965 172.3152 5 V 3.4324 7.8117 117.7888 62.7755 32.7051 173.4002 6 L 4.5550 8.0648 129.0127 53.7485 43.3750 174.7666 7 Y 4.9541 8.3926 121.8213 55.9068 41.4809 174.9061 8 K 4.7770 8.5640 119.6196 55.0290 35.5891 175.8309 9 S 4.6916 8.5324 114.7026 56.5584 65.6951 172.9619 10 N 5.0109 8.6566 120.4908 51.7577 41.4152 174.0872 11 H 4.7945 8.6136 117.8117 54.4452 31.2101 172.0878 12 N 5.0436 8.7439 122.8869 51.4570 40.9387 173.9922 13 V 4.5055 8.2677 123.6379 60.9514 34.7461 174.3776 14 V 4.3634 8.4045 125.7547 61.1249 33.2356 174.0014 15 Y 4.7447 7.8004 123.5416 56.2913 40.6809 174.6803 16 S 4.2386 8.4060 114.8147 57.6666 63.2592 172.7733 17 C 4.7334 9.5351 126.2793 57.6318 30.1579 172.6057 18 K 5.2049 8.1690 122.5348 54.8357 34.5966 174.9224 19 Y 5.2650 9.1307 120.6427 56.7004 42.8071 173.7365 20 H 5.4396 9.2631 119.3286 54.5221 31.0729 174.1596 21 I 5.2539 9.6445 124.4739 59.8117 41.1342 174.8980 22 V 5.2644 9.1863 118.7625 59.6411 36.6697 173.8120 23 W 5.5769 8.0382 119.6361 55.6357 31.9143 173.1329 24 C 5.3730 8.8306 116.9982 57.0092 31.3019 172.3529 25 P 4.9808 0.0000 0.0000 62.0307 32.0388 176.0699 26 K 3.8421 8.9128 120.5837 57.8352 31.2141 177.4001 27 Y 3.7577 8.9678 119.5504 58.1662 36.2833 171.0736 28 R 4.1911 8.1192 116.8531 56.7504 28.1751 176.2286 29 R 3.9459 7.3961 118.2925 56.7296 30.8376 178.0412 30 K 5.0747 8.3630 125.4795 55.9819 30.1040 177.4567 31 V 4.0380 7.3065 110.3018 62.0521 32.9754 178.0848 32 L 4.3447 7.5094 121.0824 53.3421 39.7399 175.7037 33 V 4.6083 7.2351 113.5917 59.6996 37.1147 176.7545 34 G 3.6536 8.6960 108.4141 46.8488 0.0000 174.2503 35 A 3.9917 8.7189 119.4815 55.5070 18.4361 179.4702 36 V 2.8762 7.7117 115.9655 66.1626 31.4671 177.3679 37 E 3.8932 7.9092 118.4140 59.7010 29.4847 178.5601 38 M 4.0576 8.0372 117.7839 58.7865 32.1693 178.8677 39 R 4.0482 8.6656 118.2073 59.2213 30.2019 178.9607 40 L 4.1014 8.1854 120.4193 58.1784 42.1563 179.2412 41 K 4.0989 8.0675 118.0586 59.2045 31.9418 179.3246 42 E 3.9962 8.3157 119.0228 59.5017 29.3740 179.1676 43 I 3.6947 7.8278 119.6681 64.6862 37.1742 178.2897 44 I 3.7685 7.9347 120.3232 64.8661 36.9040 178.4965 45 Q 4.0578 8.2906 118.5522 58.9420 28.3167 178.6215 46 E 3.9611 7.8724 118.4885 59.4900 29.8812 179.2870 47 V 3.7327 8.1115 118.0688 65.8794 31.6070 177.7422 48 A 4.0307 8.5200 120.8688 55.3972 18.0345 179.7706 49 K 3.9148 8.1040 115.6397 59.6079 32.1376 179.0138 50 E 4.1779 7.9464 117.6479 57.6975 29.4348 177.4275 51 L 3.6460 7.3118 117.4968 53.8313 42.6907 176.6727 52 R 3.6448 7.6443 114.6104 57.6314 27.4991 175.9693 53 V 4.5155 7.7634 115.7914 60.9775 34.2745 175.1875 54 E 4.3508 8.8145 129.5576 54.8132 30.8897 175.2116 55 I 4.2905 8.2797 129.2120 60.8769 36.4777 176.0367 56 I 3.9243 8.3426 128.9588 64.0748 37.8665 176.5423 57 E 4.7129 8.4539 120.9590 55.3112 33.5633 174.0472 58 M 5.2709 8.5274 125.8673 54.1937 35.1632 173.7699 59 Q 4.8020 8.9870 124.1991 54.4688 32.3241 174.2436 60 T 4.6864 8.4347 110.9128 61.4069 71.4346 171.0835 61 D 4.3893 8.6575 124.1755 54.8343 39.5758 177.3718 62 K 4.7972 5.6600 118.7228 56.1760 36.9723 177.0981 63 D 5.0740 7.7115 115.6758 52.3441 40.0614 174.5355 64 H 4.6392 7.2393 113.3401 55.4720 30.6691 172.1253 65 I 4.6389 7.5302 119.4468 59.2733 41.5214 173.3875 66 H 5.3659 8.9718 127.4216 54.4742 32.7198 172.0646 67 I 4.9969 9.7065 127.2426 59.3268 40.7789 174.1841 68 L 5.2791 9.1079 127.9953 53.3221 44.4795 174.9503 69 A 4.9439 8.8691 126.4729 50.9264 23.4632 173.9573 70 D 5.2315 8.8400 120.0591 53.0930 43.0891 175.2607 71 I 4.6719 8.8741 127.1493 59.0237 39.7350 174.9098 72 D 3.8038 8.4990 127.2712 53.6688 40.5677 175.2538 73 P 4.3597 0.0000 0.0000 64.9225 31.4996 178.5277 74 S 4.1028 8.7170 115.5163 60.8622 63.0488 175.2339 75 F 4.2724 7.7027 114.8902 58.8560 39.9728 177.4344 76 G 4.0796 8.1947 106.2114 45.7014 0.0000 174.6007 77 V 3.4914 8.1593 120.9476 65.0189 31.1214 178.6737 78 M 3.9810 7.8913 118.7677 57.8129 31.8649 178.2781 79 K 3.8773 8.0644 119.3507 59.5420 32.2884 178.4427 80 F 4.1443 8.0934 120.2856 61.2742 39.3290 177.2484 81 I 3.1314 7.9574 119.7640 64.2520 36.8350 178.6929 82 K 3.8067 8.1967 119.6357 59.5212 31.7686 179.7115 83 T 3.7626 7.7755 115.9595 66.2396 68.3294 176.6765 84 A 3.7910 7.7372 123.0058 55.0415 18.4027 179.5770 85 K 3.3826 7.6479 117.1912 59.4386 32.0875 179.5905 86 G 3.6852 8.0426 105.8555 47.9683 0.0000 175.5989 87 R 3.9287 8.1084 121.4894 59.1160 30.2033 178.6826 88 S 4.2442 8.3504 114.2368 61.5724 62.7581 176.4402 89 S 4.0055 9.0010 117.1683 60.9729 61.6234 176.1651 90 R 3.9129 8.0115 121.3970 59.5538 29.9564 178.5824 91 I 3.7699 8.0651 119.8665 64.3772 37.0467 178.4376 92 L 4.2510 7.9706 119.7933 58.1253 41.2722 179.9365 93 R 3.9402 7.5655 116.6484 59.1588 29.9940 178.7547 94 Q 4.1641 7.6393 116.3970 58.0523 28.8763 177.3583 95 E 4.4469 8.0704 117.9469 55.6399 30.4732 175.9424 96 F 4.6633 8.2698 117.9779 54.8474 41.5750 175.2203 97 N 4.3872 8.9262 125.3827 56.7514 38.6178 176.0224 98 H 4.4108 8.4429 115.4569 57.5338 28.6774 177.0740 99 L 4.0263 7.5079 122.1904 57.1332 41.8490 178.9716 100 K 4.1028 8.0060 117.0097 59.6062 32.6435 178.2873 101 T 4.2819 7.5855 109.2554 63.1312 69.6453 175.8195 102 K 4.3314 7.3841 118.3293 56.7797 32.5998 176.6467 103 L 4.9146 7.2795 117.0164 52.5272 45.6870 174.7999 104 P 4.4397 0.0000 0.0000 65.1933 31.6976 176.4928 105 T 4.5971 7.2012 105.2933 60.0863 71.9724 173.5269 106 L 3.6881 8.2922 123.4653 56.9748 42.3464 176.4724 107 W 5.0444 7.2716 115.9781 55.2396 31.5121 173.9496 108 T 4.6675 8.2836 109.0687 60.0637 70.6968 173.3981 109 N 4.5419 8.5913 116.7080 53.5012 37.7323 174.6941 110 S 4.7898 7.8563 114.4986 57.3685 64.1889 172.3167 111 C 4.9377 8.0661 118.0900 57.6243 32.2409 172.3701 112 F 5.0086 9.7844 123.0352 56.5898 41.5695 174.2392 113 I 5.0015 7.2361 125.0287 59.7411 41.1405 174.8563 114 S 4.4884 8.4956 120.0169 57.3160 65.9553 173.8030 115 T 4.3450 8.6299 118.3522 61.6168 69.4352 174.0641 116 V 4.4148 8.2923 122.8372 60.0457 34.5423 175.9950 117 G 3.9399 8.5892 110.9792 43.8218 0.0000 173.2217 118 G 3.8720 8.0397 119.6402 43.8424 0.0000 171.5548 119 A 4.6521 7.2053 119.2618 50.2240 23.5291 176.7839 120 P 4.8589 0.0000 0.0000 61.5368 30.9441 177.6649 121 L 4.6992 8.4354 118.6095 56.2198 44.2827 177.3655 122 N 4.5997 8.2151 116.4691 54.2254 37.2325 176.9325 123 V 3.6885 7.6023 121.6018 66.2181 31.7502 177.2360 124 V 3.6290 7.6750 117.9538 66.1500 31.2893 177.4896 125 K 3.7631 8.1557 118.3946 59.9152 31.9323 178.1805 126 Q 3.6975 7.7531 118.6975 59.0872 28.7178 177.4275 127 Y 3.2719 7.7572 119.4838 60.8578 39.0559 177.9392 128 I 3.5352 7.9675 120.6386 64.3289 37.0302 178.0294 129 E 3.3563 8.4177 119.4922 59.4718 29.4226 178.5640 130 N 4.5104 7.2175 113.4871 52.3354 38.8530 175.2041 131 Q 4.1897 7.8859 121.5264 55.2317 29.9153 176.3316 132 Q 4.4007 8.1177 118.2503 57.7942 30.6737 175.7332 133 N 5.2289 8.9382 125.4371 54.9578 38.6996 175.0218 134 S 4.3910 8.3914 117.5005 59.3035 63.0442 169.0864 135 N 4.9326 7.6898 116.4503 52.1066 37.9807 173.4563 136 R 4.4833 7.1234 115.1309 56.1900 30.8724 176.0655 137 P 3.6960 0.0000 0.0000 64.6339 32.7220 178.3581 138 K 4.3119 7.7070 118.6405 56.9712 34.5298 176.9395 139 Q 3.2460 8.6075 117.2645 57.3568 27.3694 173.7807 140 K 4.4898 7.2300 115.9079 58.3785 33.5238 176.9172 141 E 4.1439 7.8517 117.1064 57.5975 29.5177 178.7636 142 K 3.8393 7.7969 120.6425 58.8798 32.5192 178.1937 143 W 4.3673 8.0100 126.6301 60.2656 30.8709 177.6953 144 K 3.8035 8.5838 119.0522 59.5018 31.4048 179.2642 145 S 4.0691 7.4987 111.3304 61.4532 62.2530 175.5567 146 Y 4.6302 7.4130 118.8740 59.9140 37.8928 176.5843 147 V 3.6604 7.0178 118.8226 62.5123 32.2611 175.1186 148 D 4.6695 8.1311 123.8255 53.6746 41.8359 175.6920 149 N 4.9709 8.1292 118.0827 51.0268 41.5544 174.7365 150 L 4.1114 8.8340 120.4654 56.2241 41.3932 178.6982 151 Q 3.4320 7.8067 122.4915 57.9803 29.5456 177.8427 152 T 3.6436 7.7842 118.2869 63.9782 67.9887 171.9282 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 N 8.28 4.50 0.00 2.79 2.09 0.00 0.00 6.98 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 4 A 9.11 3.50 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 5 V 7.81 3.43 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 -0.01 0.00 0.00 0.94 0.00 0.00 6 L 8.06 4.55 0.00 1.56 1.45 0.94 0.87 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 7 Y 8.39 4.95 0.00 2.90 2.75 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 8 K 8.56 4.78 0.00 1.83 1.76 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 9 S 8.53 4.69 0.00 3.84 3.79 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 10 N 8.66 5.01 0.00 2.69 2.75 0.00 0.00 6.81 8.16 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 11 H 8.61 4.79 0.00 3.04 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.74 5.04 0.00 2.71 2.75 0.00 0.00 6.91 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.27 4.51 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 0.92 0.00 0.00 0.91 0.00 0.00 14 V 8.40 4.36 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 0.87 0.00 0.00 1.01 0.00 0.00 15 Y 7.80 4.74 0.00 3.06 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 16 S 8.41 4.24 0.00 3.74 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 17 C 9.54 4.73 0.00 3.27 3.06 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 0.00 0.00 0.00 18 K 8.17 5.20 0.00 1.82 1.67 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 19 Y 9.13 5.27 0.00 2.85 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 20 H 9.26 5.44 0.00 3.37 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.64 5.25 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 1.22 0.00 0.00 22 V 9.19 5.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.90 0.00 0.00 23 W 8.04 5.58 0.00 3.39 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 24 C 8.83 5.37 0.00 3.09 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 25 P 0.00 4.98 0.00 2.17 2.04 0.00 4.14 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 2.10 2.10 0.00 26 K 8.91 3.84 0.00 1.58 1.44 0.00 1.48 0.00 0.00 0.88 0.00 0.00 2.62 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.58 1.10 7.81 27 Y 8.97 3.76 0.00 3.28 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 28 R 8.12 4.19 0.00 2.08 2.12 0.00 3.22 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 29 R 7.40 3.95 0.00 1.96 1.88 0.00 3.30 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 30 K 8.36 5.07 0.00 1.80 1.78 0.00 1.85 0.00 0.00 2.37 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 V 7.31 4.04 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 0.72 0.00 0.00 0.91 0.00 0.00 32 L 7.51 4.34 0.00 1.73 1.64 1.04 0.93 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 33 V 7.24 4.61 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 0.67 0.00 0.00 0.91 0.00 0.00 34 G 8.70 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 35 A 8.72 3.99 1.67 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 36 V 7.71 2.88 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 0.82 0.00 0.00 -0.04 0.00 0.00 37 E 7.91 3.89 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 38 M 8.04 4.06 0.00 2.10 2.27 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 2.72 2.61 0.00 39 R 8.67 4.05 0.00 2.17 2.15 0.00 3.41 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 40 L 8.19 4.10 0.00 1.93 1.91 1.28 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.07 4.10 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.69 7.81 42 E 8.32 4.00 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 43 I 7.83 3.69 2.11 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 1.87 0.96 0.98 0.00 0.00 44 I 7.93 3.77 1.96 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 1.64 0.93 1.11 0.00 0.00 45 Q 8.29 4.06 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 46 E 7.87 3.96 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 47 V 8.11 3.73 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 1.04 0.00 0.00 0.99 0.00 0.00 48 A 8.52 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 49 K 8.10 3.91 0.00 1.94 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.65 7.81 50 E 7.95 4.18 0.00 2.05 1.90 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 2.32 2.46 0.00 51 L 7.31 3.65 0.00 1.47 1.23 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.64 3.64 0.00 2.09 2.01 0.00 3.18 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 53 V 7.76 4.52 1.90 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 0.06 0.00 0.00 0.52 0.00 0.00 54 E 8.81 4.35 0.00 2.12 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 2.21 2.29 0.00 55 I 8.28 4.29 1.86 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 1.39 0.48 0.92 0.00 0.00 56 I 8.34 3.92 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.89 0.00 0.00 57 E 8.45 4.71 0.00 1.97 1.68 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 2.18 2.22 0.00 58 M 8.53 5.27 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 59 Q 8.99 4.80 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 60 T 8.43 4.69 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 1.14 0.00 0.00 61 D 8.66 4.39 0.00 2.45 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 5.66 4.80 0.00 1.79 1.74 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 63 D 7.71 5.07 0.00 2.89 2.76 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 64 H 7.24 4.64 0.00 3.33 3.39 0.00 5.39 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.53 4.64 1.48 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.82 -0.54 0.00 0.00 66 H 8.97 5.37 0.00 3.23 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 9.71 5.00 1.96 0.00 0.00 0.48 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 0.74 1.00 0.00 0.00 68 L 9.11 5.28 0.00 1.53 1.42 0.76 0.77 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 69 A 8.87 4.94 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.84 5.23 0.00 2.78 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 71 I 8.87 4.67 1.77 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 0.75 0.28 0.79 0.00 0.00 72 D 8.50 3.80 0.00 2.91 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 73 P 0.00 4.36 0.00 2.13 2.18 0.00 2.49 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 74 S 8.72 4.10 0.00 3.77 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 75 F 7.70 4.27 0.00 3.19 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 76 G 8.19 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 77 V 8.16 3.49 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.68 0.00 0.00 78 M 7.89 3.98 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 79 K 8.06 3.88 0.00 2.08 1.95 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.63 7.81 80 F 8.09 4.14 0.00 3.15 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 81 I 7.96 3.13 1.69 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.70 0.52 0.00 0.00 82 K 8.20 3.81 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.43 7.81 83 T 7.78 3.76 4.10 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 1.15 0.00 0.00 84 A 7.74 3.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.65 3.38 0.00 1.34 1.52 0.00 1.01 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 86 G 8.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.93 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 88 S 8.35 4.24 0.00 4.39 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 0.00 89 S 9.00 4.01 0.00 4.02 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 90 R 8.01 3.91 0.00 2.01 2.06 0.00 3.15 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 1.64 1.67 0.00 91 I 8.07 3.77 1.95 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 1.56 0.81 0.99 0.00 0.00 92 L 7.97 4.25 0.00 1.80 1.70 0.96 1.09 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 93 R 7.57 3.94 0.00 1.74 1.98 0.00 3.36 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 94 Q 7.64 4.16 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 95 E 8.07 4.45 0.00 1.99 1.64 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 2.23 2.57 0.00 96 F 8.27 4.66 0.00 3.08 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 97 N 8.93 4.39 0.00 2.85 2.86 0.00 0.00 6.90 7.89 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 98 H 8.44 4.41 0.00 3.42 3.57 0.00 5.50 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.51 4.03 0.00 1.88 1.60 0.69 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.01 4.10 0.00 1.89 2.14 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.61 7.81 101 T 7.59 4.28 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 0.00 102 K 7.38 4.33 0.00 1.91 1.91 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 103 L 7.28 4.91 0.00 1.71 1.64 0.99 0.96 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 0.00 104 P 0.00 4.44 0.00 2.00 2.10 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 105 T 7.20 4.60 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 1.16 0.00 0.00 106 L 8.29 3.69 0.00 1.27 0.82 0.33 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.27 5.04 0.00 3.19 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 0.00 108 T 8.28 4.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 109 N 8.59 4.54 0.00 2.81 2.95 0.00 0.00 5.79 7.64 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 0.00 110 S 7.86 4.79 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.07 4.94 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.78 5.01 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 0.00 113 I 7.24 5.00 1.76 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 1.17 1.02 0.99 0.00 0.00 114 S 8.50 4.49 0.00 3.70 3.46 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 0.00 115 T 8.63 4.35 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 0.79 0.00 0.00 116 V 8.29 4.41 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 0.71 0.00 0.00 0.98 0.00 0.00 117 G 8.59 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 0.00 0.00 0.00 118 G 8.04 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 0.00 119 A 7.21 4.65 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 0.00 120 P 0.00 4.86 0.00 2.13 1.89 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 121 L 8.44 4.70 0.00 1.95 1.84 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.22 4.60 0.00 2.95 3.11 0.00 0.00 5.93 7.68 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 0.00 123 V 7.60 3.69 2.14 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 1.23 0.00 0.00 0.97 0.00 0.00 124 V 7.67 3.63 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 1.07 0.00 0.00 0.97 0.00 0.00 125 K 8.16 3.76 0.00 1.85 1.97 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 126 Q 7.75 3.70 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 1.77 2.14 0.00 127 Y 7.76 3.27 0.00 3.16 3.30 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 0.00 128 I 7.97 3.54 1.96 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 1.57 1.03 0.85 0.00 0.00 129 E 8.42 3.36 0.00 1.66 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 2.51 2.44 0.00 130 N 7.22 4.51 0.00 1.73 2.46 0.00 0.00 7.06 6.97 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 0.00 131 Q 7.89 4.19 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 132 Q 8.12 4.40 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.88 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 133 N 8.94 5.23 0.00 2.88 2.89 0.00 0.00 5.90 7.64 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 0.00 134 S 8.39 4.39 0.00 4.03 4.07 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 0.00 135 N 7.69 4.93 0.00 2.65 2.67 0.00 0.00 6.69 7.65 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 0.00 136 R 7.12 4.48 0.00 1.75 1.84 0.00 3.48 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 137 P 0.00 3.70 0.00 2.09 1.93 0.00 3.68 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 2.01 2.16 0.00 138 K 7.71 4.31 0.00 1.80 1.75 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.41 7.81 139 Q 8.61 3.25 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 140 K 7.23 4.49 0.00 1.93 1.72 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.55 1.61 7.81 141 E 7.85 4.14 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 142 K 7.80 3.84 0.00 1.68 1.63 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.01 1.28 7.81 143 W 8.01 4.37 0.00 3.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.58 3.80 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 145 S 7.50 4.07 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 7.41 4.63 0.00 3.04 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 0.00 147 V 7.02 3.66 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 0.49 0.00 0.00 0.34 0.00 0.00 148 D 8.13 4.67 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.13 4.97 0.00 2.66 2.69 0.00 0.00 7.00 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 0.00 150 L 8.83 4.11 0.00 1.68 1.66 1.17 1.02 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 0.00 151 Q 7.81 3.43 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 5.77 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 152 T 7.78 3.64 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