NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3765 8.5404 119.7121 54.6827 33.2077 177.5532 2 A 4.4038 8.5228 126.9001 51.6305 22.5175 176.5773 3 S 4.4273 8.4843 116.2383 59.1620 63.4373 174.4400 4 V 4.2555 7.6321 118.7262 62.2504 29.7301 177.7608 5 E 4.3479 8.2041 121.0798 56.8110 26.7434 177.8554 6 R 4.0948 7.8194 117.5173 58.6190 30.3007 177.5920 7 D 4.4002 6.9510 113.1511 52.3502 44.7979 176.7020 8 E 4.0012 8.2158 123.7874 58.6502 29.3686 179.3243 9 T 3.8543 8.3851 117.1939 67.0987 68.5360 176.3538 10 R 3.9606 7.5215 118.9534 58.9457 30.1209 178.7890 11 E 3.9856 8.1216 118.0630 59.6390 29.4314 178.7016 12 H 4.0477 8.3966 118.1424 59.3710 29.9855 177.4388 13 R 3.8089 8.1164 119.8762 59.3635 29.8314 178.7680 14 I 3.2457 7.9876 119.8112 64.6616 36.7851 178.1536 15 E 3.9321 8.4724 120.0032 58.4855 29.3507 177.8991 16 T 4.5437 7.8292 106.8287 61.4819 69.5431 174.1508 17 E 4.4141 7.5098 119.2830 58.0855 33.2487 176.2859 18 I 3.3477 7.5383 119.5907 63.4821 37.3283 177.5755 19 I 4.4463 7.5389 111.2625 60.1049 37.9489 177.3068 20 V 3.7001 7.8190 121.7257 64.4395 30.9119 176.6665 21 D 4.3777 7.9180 117.0541 55.0997 41.4506 175.6873 22 A 4.4477 7.5772 121.6419 52.2948 19.5456 175.9519 23 E 4.6998 8.5015 116.0596 56.2894 35.1947 174.4567 24 D 5.0447 7.7593 115.5712 51.0591 46.0784 175.6427 25 K 4.0360 8.7407 120.8442 60.5622 32.0804 178.8172 26 E 3.8414 8.0835 118.9310 59.1581 29.4219 179.0245 27 E 3.9582 8.0730 118.1267 59.1641 29.6193 179.4532 28 R 3.9785 8.3228 118.3322 59.0883 30.1037 178.8073 29 A 3.2994 7.5466 120.5588 55.2539 18.1940 179.6307 30 M 3.7633 7.9907 117.3006 58.0473 31.8687 179.1749 31 G 3.5619 8.0805 107.5794 46.9985 0.0000 175.6492 32 W 4.1648 8.0933 122.0256 59.4241 29.0373 177.9495 33 Y 4.2085 8.3072 119.6083 61.1249 38.2803 177.8735 34 Y 4.0412 8.1755 118.0230 61.0286 37.7988 177.7721 35 Y 4.1824 8.1212 120.4976 60.8106 38.9121 178.2383 36 L 3.8352 8.1988 119.9519 57.8242 41.5322 178.9755 37 D 4.5607 8.1632 117.3020 57.3751 41.1620 177.4430 38 D 4.3545 8.0154 117.3416 56.2865 41.2688 177.4422 39 T 4.1818 6.9147 114.9305 63.9464 69.7130 175.4106 40 L 4.1438 7.5391 121.0684 54.7970 42.1686 177.1575 41 E 4.2061 8.6704 126.1549 56.2244 29.6408 176.9041 42 F 4.7439 7.4274 113.2165 56.1076 38.9594 173.7122 43 P 4.6961 0.0000 0.0000 63.3157 31.9875 175.1987 44 F 5.1033 8.2244 115.4259 55.8630 41.8836 172.9452 45 M 4.8327 8.9691 119.5369 55.7623 33.7052 174.9368 46 G 4.6502 9.3585 110.9239 45.3341 0.0000 171.1539 47 K 4.9656 9.2159 122.1173 54.5243 34.0872 175.2660 48 W 4.9737 9.3630 135.0000 56.5384 30.8557 175.7042 49 K 4.8749 8.8256 131.6390 54.6573 29.6543 176.3193 50 K 4.2756 8.2811 122.5230 56.2324 33.5431 176.3448 51 K 4.5407 9.3244 130.5997 57.2301 32.9424 175.9429 52 S 4.5167 9.0003 121.9519 57.6370 68.1004 174.4572 53 R 3.7498 9.1194 117.1461 56.2418 28.4077 175.9754 54 K 4.1538 8.1677 112.6352 57.9586 29.6709 175.2906 55 T 4.5737 7.1457 104.5160 60.5705 69.4578 173.5635 56 S 3.7483 8.2812 115.1039 60.1750 60.6783 172.7332 57 T 4.1030 7.5798 114.6984 63.7967 69.7799 174.4522 58 I 4.6204 8.1958 124.8952 59.8959 39.2295 175.4877 59 E 4.4065 8.9406 129.0439 54.7359 28.6809 176.1155 60 E 4.6174 8.3297 121.6221 56.3604 30.9846 176.4042 61 K 4.6430 8.8866 121.4395 55.5736 36.5395 174.5357 62 T 4.8954 8.6232 123.0793 62.4159 70.3807 174.1407 63 V 5.0079 9.0968 119.0287 59.6426 37.0653 174.0805 64 E 4.9709 8.9473 123.5314 54.5082 31.3528 175.6530 65 V 4.0650 8.7220 121.7422 61.5654 32.2408 177.0879 66 L 4.2981 9.2610 123.8384 53.7980 43.4706 176.8377 67 G 3.0012 7.1501 105.8497 45.2817 0.0000 171.7029 68 M 4.5735 6.6496 119.2434 54.8127 32.6092 176.6678 69 A 4.1712 8.3225 123.6574 51.1455 19.5934 175.6188 70 P 4.4024 0.0000 0.0000 62.7446 32.1637 177.6194 71 D 3.3837 8.7580 121.3865 56.6046 38.7680 178.4228 72 D 4.2535 7.8724 118.1090 56.9415 41.4217 177.5548 73 E 4.1630 7.8796 118.7255 59.2334 29.6093 177.9834 74 C 5.1124 7.5697 114.4350 60.2952 28.0701 175.0441 75 L 4.0874 7.4946 121.1819 55.9399 41.4545 177.4373 76 K 4.5037 7.9657 117.5050 57.6614 34.1753 175.2951 77 D 4.8468 7.5228 115.3279 53.4616 44.0088 173.3626 78 M 4.4123 8.2140 121.4518 55.1289 32.9069 175.4936 79 Y 5.3424 8.3621 119.5655 56.5695 43.2506 174.4079 80 V 4.7577 8.6824 113.5474 59.6883 36.4837 174.7410 81 E 4.5976 8.7786 124.2030 56.3067 30.8120 176.3074 82 V 4.9129 8.9251 116.1839 59.5834 36.7745 173.9704 83 A 4.8251 8.9231 125.4885 50.0811 21.6378 175.3437 84 D 4.7912 8.4249 122.8996 53.5594 40.9661 176.8093 85 I 3.6794 8.4832 128.0336 63.6113 37.3144 177.7589 86 G 4.1116 8.3183 107.2272 45.1078 0.0000 174.1181 87 G 4.3453 7.7475 105.4168 45.7033 0.0000 173.7159 88 K 4.3330 8.5802 118.3442 58.0250 35.6155 177.1104 89 D 4.5072 8.2532 113.2887 54.7253 39.6679 173.7336 90 D 4.5557 7.5851 109.9686 54.7033 44.1031 173.7898 91 D 4.6464 7.4889 115.5749 53.3409 44.3209 173.8387 92 V 4.4749 7.8885 120.9537 61.3436 34.8077 173.7051 93 Y 5.2964 9.0004 123.4844 56.5961 42.1947 174.0810 94 T 5.0416 8.5942 114.8874 62.1063 71.9095 173.7683 95 A 4.1339 8.5337 126.0910 49.3458 22.9883 175.7196 96 K 4.4592 8.4332 119.1062 55.9735 33.0901 178.5367 97 L 3.9717 8.5475 125.3440 58.1567 42.1376 179.1959 98 S 4.5774 8.4227 113.2802 60.8215 63.0095 174.1899 99 D 5.1666 8.4559 119.0239 53.9085 42.3353 175.3905 100 I 5.0121 7.9022 119.5377 59.5625 40.0121 175.1986 101 E 4.6397 9.1965 125.5840 54.1842 32.0494 174.8356 102 A 4.5881 8.7563 128.8701 52.0057 18.2574 176.2131 103 I 4.3515 8.5821 120.9026 59.9808 40.5174 175.6577 104 D 4.4299 8.6752 125.2792 55.2210 39.6042 173.6334 105 V 3.9756 6.6930 109.7438 59.5763 33.2509 176.1174 106 D 4.5317 8.0627 119.5850 53.9773 42.9739 176.0250 107 D 4.2777 8.5161 121.6563 57.5600 41.2673 177.9383 108 D 4.3600 8.6894 118.7281 57.3409 41.2187 178.4765 109 T 3.7988 7.6890 115.9559 66.6327 68.6184 176.3383 110 Q 3.9355 8.1852 121.6290 59.0727 28.9456 178.1046 111 E 4.0058 8.6418 119.8112 59.5520 29.6069 179.1741 112 A 4.2487 7.9350 120.3990 55.2659 18.4024 179.8147 113 I 3.7940 7.8958 117.8853 64.5278 37.3848 178.3953 114 A 4.0267 8.5447 122.0035 55.3689 18.1475 179.0610 115 D 4.7650 8.8403 116.9286 57.5980 41.2658 178.3802 116 W 3.9491 8.7016 128.8446 60.3699 30.6607 178.0241 117 L 3.8367 8.1764 119.0500 57.6143 40.8589 179.1020 118 Y 3.9981 7.8152 116.7030 60.7739 37.9190 178.1745 119 W 3.9079 8.0063 129.0989 60.0591 30.6114 177.7384 120 L 3.6148 7.6323 120.4005 58.0686 41.3223 178.8578 121 A 3.9417 7.6693 119.1947 55.1836 18.0914 179.5389 122 R 3.9377 8.1979 116.4466 56.9783 29.8053 177.5852 123 G 3.3097 7.9068 106.3879 46.5503 0.0000 173.8333 124 Y 2.0000 6.8805 118.6103 56.3424 37.5787 170.1787 125 K 4.5020 6.1851 115.1818 55.7039 34.3534 176.8056 126 F 4.8141 8.1742 119.8784 57.1527 38.0666 174.5585 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 M 8.54 4.38 0.00 1.99 1.59 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 2 A 8.52 4.40 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 3 S 8.48 4.43 0.00 3.90 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 4 V 7.63 4.26 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 0.76 0.00 0.00 1.13 0.00 0.00 5 E 8.20 4.35 0.00 2.05 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 2.32 2.24 0.00 6 R 7.82 4.09 0.00 1.93 2.04 0.00 3.00 0.00 0.00 2.73 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 7 D 6.95 4.40 0.00 2.67 2.43 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 8 E 8.22 4.00 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 9 T 8.39 3.85 4.22 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 1.20 0.00 0.00 10 R 7.52 3.96 0.00 1.84 1.97 0.00 2.49 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 11 E 8.12 3.99 0.00 2.08 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 2.38 2.31 0.00 12 H 8.40 4.05 0.00 3.30 3.38 0.00 5.59 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 13 R 8.12 3.81 0.00 1.96 1.80 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 14 I 7.99 3.25 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 1.03 0.00 0.00 15 E 8.47 3.93 0.00 2.03 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 2.26 2.30 0.00 16 T 7.83 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 17 E 7.51 4.41 0.00 1.76 1.79 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 1.95 2.23 0.00 18 I 7.54 3.35 1.05 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 -0.62 0.00 0.00 19 I 7.54 4.45 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.68 0.00 0.00 20 V 7.82 3.70 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 0.95 0.00 0.00 0.90 0.00 0.00 21 D 7.92 4.38 0.00 2.65 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 22 A 7.58 4.45 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 23 E 8.50 4.70 0.00 1.91 1.92 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 2.22 2.32 0.00 24 D 7.76 5.04 0.00 2.80 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 0.00 0.00 0.00 0.00 25 K 8.74 4.04 0.00 2.23 2.26 0.00 1.63 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.62 7.81 26 E 8.08 3.84 0.00 2.02 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 2.40 0.00 27 E 8.07 3.96 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 28 R 8.32 3.98 0.00 2.26 2.48 0.00 3.47 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 29 A 7.55 3.30 0.65 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 30 M 7.99 3.76 0.00 1.23 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 31 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.09 4.16 0.00 3.52 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.31 4.21 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.18 4.04 0.00 2.93 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 35 Y 8.12 4.18 0.00 3.00 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 36 L 8.20 3.84 0.00 1.94 1.73 1.34 0.56 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 37 D 8.16 4.56 0.00 2.31 2.61 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 38 D 8.02 4.35 0.00 2.70 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 39 T 6.91 4.18 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 1.06 0.00 0.00 40 L 7.54 4.14 0.00 1.76 1.97 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.67 4.21 0.00 1.94 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 2.32 0.00 42 F 7.43 4.74 0.00 2.70 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 43 P 0.00 4.70 0.00 2.11 2.10 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 44 F 8.22 5.10 0.00 2.98 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 45 M 8.97 4.83 0.00 2.23 2.05 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 2.81 2.64 0.00 46 G 9.36 4.65 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 47 K 9.22 4.97 0.00 1.93 1.78 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 48 W 9.36 4.97 0.00 3.53 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 49 K 8.83 4.87 0.00 1.80 1.84 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.48 7.81 50 K 8.28 4.28 0.00 0.88 1.48 0.00 1.07 0.00 0.00 1.26 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.37 7.81 51 K 9.32 4.54 0.00 1.85 1.78 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 52 S 9.00 4.52 0.00 3.72 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 53 R 9.12 3.75 0.00 1.98 1.94 0.00 3.31 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 K 8.17 4.15 0.00 1.90 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 55 T 7.15 4.57 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 1.26 0.00 0.00 56 S 8.28 3.75 0.00 4.01 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 57 T 7.58 4.10 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 I 8.20 4.62 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.90 0.00 0.00 59 E 8.94 4.41 0.00 1.75 1.77 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 2.24 2.31 0.00 60 E 8.33 4.62 0.00 2.01 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 2.28 2.32 0.00 61 K 8.89 4.64 0.00 1.70 1.72 0.00 1.84 0.00 0.00 1.98 0.00 0.00 2.39 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.47 1.47 7.81 62 T 8.62 4.90 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 1.27 0.00 0.00 63 V 9.10 5.01 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 1.06 0.00 0.00 1.12 0.00 0.00 64 E 8.95 4.97 0.00 2.03 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 2.18 2.28 0.00 65 V 8.72 4.06 1.24 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 0.76 0.00 0.00 -0.26 0.00 0.00 66 L 9.26 4.30 0.00 1.34 1.60 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 6.65 4.57 0.00 2.02 2.01 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 2.61 2.54 0.00 69 A 8.32 4.17 1.17 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 0.00 0.00 70 P 0.00 4.40 0.00 2.00 1.96 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 71 D 8.76 3.38 0.00 2.72 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 72 D 7.87 4.25 0.00 2.63 2.68 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 73 E 7.88 4.16 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 74 C 7.57 5.11 0.00 1.89 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 75 L 7.49 4.09 0.00 1.67 1.67 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.97 4.50 0.00 2.11 2.02 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.40 7.81 77 D 7.52 4.85 0.00 2.64 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.21 4.41 0.00 1.25 0.85 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.07 0.00 79 Y 8.36 5.34 0.00 2.70 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 80 V 8.68 4.76 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 0.64 0.00 0.00 0.79 0.00 0.00 81 E 8.78 4.60 0.00 1.76 1.75 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 2.22 2.16 0.00 82 V 8.93 4.91 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 0.50 0.00 0.00 0.92 0.00 0.00 83 A 8.92 4.83 1.17 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 0.00 0.00 84 D 8.42 4.79 0.00 2.95 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 85 I 8.48 3.68 1.99 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 1.25 0.82 0.93 0.00 0.00 86 G 8.32 4.11 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 0.00 0.00 0.00 87 G 7.75 4.35 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 0.00 88 K 8.58 4.33 0.00 1.55 1.65 0.00 1.82 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.29 7.81 89 D 8.25 4.51 0.00 2.72 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 90 D 7.59 4.56 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.49 4.65 0.00 2.54 2.32 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 92 V 7.89 4.47 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 0.95 0.00 0.00 0.85 0.00 0.00 93 Y 9.00 5.30 0.00 3.00 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 94 T 8.59 5.04 4.11 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 1.06 0.00 0.00 95 A 8.53 4.13 -0.44 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 96 K 8.43 4.46 0.00 1.94 1.81 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.66 7.81 97 L 8.55 3.97 0.00 1.53 1.35 1.00 0.64 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 98 S 8.42 4.58 0.00 4.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.46 5.17 0.00 3.00 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 0.00 100 I 7.90 5.01 2.07 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 0.97 0.71 1.10 0.00 0.00 101 E 9.20 4.64 0.00 2.06 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 0.00 2.23 2.27 0.00 102 A 8.76 4.59 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.58 4.35 2.05 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 1.15 1.21 0.94 0.00 0.00 104 D 8.68 4.43 0.00 2.73 2.69 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 0.00 105 V 6.69 3.98 1.77 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 0.02 0.00 0.00 0.65 0.00 0.00 106 D 8.06 4.53 0.00 2.74 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 0.00 107 D 8.52 4.28 0.00 2.81 2.64 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 0.00 108 D 8.69 4.36 0.00 2.88 2.58 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 0.00 109 T 7.69 3.80 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 110 Q 8.19 3.94 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 111 E 8.64 4.01 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 112 A 7.93 4.25 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 0.00 113 I 7.90 3.79 2.08 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 0.91 1.00 0.00 0.00 114 A 8.54 4.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.84 4.77 0.00 3.20 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 0.00 116 W 8.70 3.95 0.00 3.51 3.25 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 0.00 117 L 8.18 3.84 0.00 1.71 1.50 0.91 0.73 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 0.00 118 Y 7.82 4.00 0.00 3.33 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 0.00 119 W 8.01 3.91 0.00 3.27 2.39 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 0.00 120 L 7.63 3.61 0.00 1.30 1.56 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.67 3.94 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 0.00 122 R 8.20 3.94 0.00 1.72 1.73 0.00 3.31 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 123 G 7.91 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 0.00 0.00 0.00 124 Y 6.88 2.00 0.00 2.59 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 0.00 125 K 6.19 4.50 0.00 1.88 1.81 0.00 1.71 0.00 0.00 2.00 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.62 7.81 126 F 8.17 4.81 0.00 3.27 3.35 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