NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3250 8.1627 118.1953 54.3619 33.0457 178.4107 2 N 3.7307 9.4580 119.3045 54.4594 39.7938 170.7882 3 R 3.4211 10.1108 107.3225 59.1046 31.1588 178.8262 4 G 3.7365 7.9977 105.5878 46.1438 0.0000 175.5907 5 A 3.8547 9.0413 118.9703 54.5552 18.3138 179.3077 6 L 3.9049 5.9514 120.9700 58.0397 41.1354 179.6439 7 I 3.7194 8.2374 114.0011 63.9303 37.4658 178.8428 8 K 4.8586 8.0237 122.5751 60.1076 31.8225 177.6978 9 L 3.9001 8.4316 118.8344 57.6546 41.4146 179.4094 10 V 3.6265 8.3918 117.7685 66.6806 31.8509 178.6805 11 E 4.0304 8.4979 117.7865 59.7632 29.4204 179.2920 12 S 4.1455 8.2563 115.5216 62.6520 62.7321 176.2038 13 R 3.6110 8.1855 117.5631 61.2835 29.6402 177.5364 14 Y 4.0245 8.4427 118.2633 61.2773 38.5377 178.5564 15 V 3.7527 8.0037 117.6895 65.8829 32.1836 177.3655 16 R 3.7290 8.3374 117.0246 57.0818 29.6074 175.9249 17 T 4.1547 8.1682 115.3872 64.6713 69.0684 174.7279 18 D 4.3998 8.2540 121.1862 55.3702 40.7181 177.1791 19 L 4.1278 8.2106 122.6038 56.6628 40.8465 170.8610 20 P 2.9700 0.0000 0.0000 61.3287 28.3769 175.6853 21 E 4.5042 6.7401 118.6716 56.9282 33.0521 176.7913 22 F 3.9059 5.4600 119.1928 59.3224 37.9178 177.2234 23 R 4.5080 8.9866 122.2428 54.0754 28.6917 174.6423 24 P 4.3113 0.0000 0.0000 60.9716 32.6437 175.1017 25 G 3.7899 8.0429 111.8846 44.4380 0.0000 171.8720 26 D 5.3544 7.9945 121.8137 56.8031 42.8849 180.9353 27 T 4.4278 7.3773 120.8798 60.7505 68.1878 174.0931 28 V 3.1651 9.9503 135.0000 63.6452 32.4599 171.5242 29 R 5.0439 8.1239 125.4138 55.9598 32.8319 176.0879 30 V 4.3261 8.2994 118.7002 61.9949 34.8039 171.7310 31 S 4.1041 8.0381 114.6013 57.5857 67.4564 173.1564 32 Y 4.4417 7.5128 118.9031 56.9936 43.4486 173.6641 33 K 5.5149 8.8167 118.8103 54.3329 35.8302 176.5802 34 V 4.6736 8.1382 117.7460 59.3033 34.1261 177.0936 35 K 3.9501 9.5997 123.1301 59.8632 32.8114 177.7705 36 E 3.6531 7.2906 118.0450 55.1161 28.4898 176.7999 37 G 4.8187 8.1995 111.2989 45.6790 0.0000 170.4183 38 N 4.0383 8.6765 113.5627 54.1166 39.8643 173.6226 39 R 3.4573 9.7824 109.4324 58.5358 28.0340 175.6556 40 T 3.1857 8.6630 118.8551 68.1187 65.8477 174.0900 41 R 3.4804 7.1846 122.7110 56.4707 27.7369 179.0059 42 I 4.2590 7.7707 124.8569 60.3728 36.9484 174.6726 43 Q 4.6786 8.2397 122.7181 54.9170 29.8136 174.6825 44 D 4.8863 8.7729 124.8509 51.4336 43.2265 176.3962 45 F 4.6239 8.7869 129.3242 59.0242 36.5507 173.1467 46 E 4.2647 9.1188 123.3987 55.1565 31.4249 175.3756 47 G 4.6250 10.1794 114.1178 45.3240 0.0000 172.3380 48 I 4.5163 8.0358 124.0677 58.9939 41.5061 174.0834 49 V 4.6847 7.7672 126.8777 60.8506 33.8162 174.7134 50 I 4.4277 8.1534 115.4403 60.2202 41.4031 173.4406 51 R 4.5073 8.9275 125.0550 55.5735 31.0690 175.5271 52 I 3.4318 8.4587 126.1205 62.7931 36.6192 174.9630 53 R 4.2587 8.9400 126.4551 56.5225 31.1462 178.5673 54 R 3.8773 7.0618 123.4116 56.3531 34.1327 173.2472 55 N 5.1996 7.5903 114.3820 52.8394 39.1502 174.4998 56 G 4.3120 7.9466 108.0926 44.9284 0.0000 172.5496 57 F 5.9876 9.8869 122.0871 54.1273 40.0444 172.6707 58 N 5.0902 8.7888 127.1501 53.8675 39.6345 174.9441 59 T 3.6343 8.1517 124.6977 63.7786 67.1204 172.1679 60 T 4.2845 6.1711 114.3474 60.2363 69.3926 172.8540 61 F 5.5373 8.2790 124.8700 58.6036 44.0320 172.5551 62 T 4.6730 8.0269 106.7231 60.9744 71.6150 173.1274 63 V 4.0825 8.4198 125.9481 60.5633 32.3326 176.0680 64 R 4.3989 8.7304 125.7757 55.2081 31.5548 176.4065 65 K 4.8103 7.9412 117.2969 55.9868 33.0770 175.8142 66 V 4.7223 8.5427 124.0469 61.2969 34.6677 174.1680 67 S 4.9305 8.9000 122.8196 57.7927 63.8272 172.0450 68 Y 5.1430 9.1366 126.9884 55.7827 41.9037 174.5989 69 G 3.8801 9.2858 116.2973 45.2399 0.0000 172.8200 70 V 3.6214 8.4952 126.0369 61.2055 32.2475 176.6267 71 G 4.2861 7.2708 118.1073 45.3414 0.0000 171.5737 72 V 4.0466 6.5450 119.2405 61.8688 34.1738 170.6237 73 E 4.6031 8.2284 121.2734 55.2178 31.1288 175.1287 74 R 4.7555 8.7074 124.3198 54.0133 33.1960 174.6257 75 I 4.9217 8.5066 117.6427 59.0989 39.9564 174.5682 76 F 5.0450 9.3401 128.5211 55.8158 41.6255 171.9087 77 P 4.8705 0.0000 0.0000 60.6889 33.2164 174.1967 78 L 4.5928 8.4714 125.6816 53.1539 45.6493 174.9730 79 H 4.0517 9.5950 122.9667 57.0714 28.8625 174.2309 80 S 4.0321 9.4529 117.6323 59.7205 61.1153 173.6210 81 P 4.0476 0.0000 0.0000 66.4916 31.9782 179.3068 82 L 3.4914 7.7382 119.5703 55.8217 39.3441 175.7208 83 I 3.5929 7.6343 127.5875 63.1142 39.0610 176.9258 84 Q 4.0108 8.5290 122.4128 59.0397 28.9425 176.8763 85 K 4.1542 7.4326 116.8063 57.6431 32.6433 174.7326 86 I 4.3717 8.7467 124.0079 62.0354 39.5869 175.9400 87 D 4.6040 8.8171 124.0908 55.0924 43.4740 176.0272 88 I 5.0226 8.4379 126.4199 60.6391 40.0762 173.4924 89 V 4.5988 8.8857 127.3869 60.6882 34.3876 174.8076 90 Q 4.6169 8.7999 125.4318 56.4755 29.6371 174.6026 91 R 4.3963 8.6144 116.5654 58.0309 32.3565 176.6424 92 G 3.9370 8.3775 104.3116 46.3499 0.0000 171.7900 93 R 4.6233 8.4537 117.7202 54.5051 31.9866 177.0587 94 A 4.6559 8.3647 126.8071 50.9037 16.3373 176.2803 95 R 4.7044 7.9303 123.3812 55.0913 33.0166 172.1330 96 R 4.1550 8.5670 119.7958 55.8187 30.8649 176.5147 97 A 4.4900 8.0742 126.0906 51.0624 18.2899 177.7710 98 K 3.8114 9.7724 112.6249 57.5979 30.8257 172.4724 99 L 3.3028 7.6786 124.5418 54.5611 41.4578 172.9761 100 Y 4.3177 7.0905 115.9240 55.2873 41.5018 176.2236 101 F 4.4491 8.6428 117.3933 59.0689 37.3152 176.8168 102 I 4.4189 7.6849 111.6418 61.5501 37.2242 178.3458 103 R 4.0442 8.8150 123.1579 60.6440 30.6789 179.6889 104 N 4.6672 8.7327 118.0419 55.2867 38.5953 176.2434 105 L 3.9101 9.0287 114.5353 58.6336 41.6506 179.9697 106 S 4.2476 8.8495 112.7906 63.2891 63.9623 173.6841 107 D 4.4934 8.8378 123.1183 54.3474 40.1965 177.1619 108 R 4.4981 8.1986 122.1032 57.1193 32.9923 178.9720 109 E 2.7622 8.8156 109.0425 54.5216 31.6953 175.7046 110 I 3.1827 5.4200 130.8689 62.0479 36.0401 175.5135 111 R 3.7479 7.9240 124.6264 59.4418 30.2173 177.7852 112 R 3.8619 8.5026 116.9451 58.8443 29.6194 178.8606 113 K 4.0382 7.9195 120.7153 60.9450 32.9659 178.2882 114 L 3.4006 8.5278 115.1467 58.4143 41.2774 179.3298 115 R 3.9903 8.1923 122.5954 59.8577 30.6973 178.2048 116 A 4.0455 8.1316 119.8670 54.3862 18.4160 177.1305 117 D 4.6863 8.3945 120.3499 54.9983 41.7724 173.5389 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 8.16 4.33 0.00 2.22 1.63 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 2 N 9.46 3.73 0.00 2.90 2.77 0.00 0.00 6.88 6.77 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 3 R 10.11 3.42 0.00 1.91 1.75 0.00 3.20 0.00 0.00 3.17 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 4 G 8.00 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 5 A 9.04 3.85 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 6 L 5.95 3.90 0.00 1.91 1.99 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.24 3.72 1.87 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 1.97 0.82 0.96 0.00 0.00 8 K 8.02 4.86 0.00 2.15 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.55 7.81 9 L 8.43 3.90 0.00 1.87 1.63 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.39 3.63 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 1.17 0.00 0.00 0.98 0.00 0.00 11 E 8.50 4.03 0.00 2.26 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 2.33 2.41 0.00 12 S 8.26 4.15 0.00 4.03 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 13 R 8.19 3.61 0.00 1.71 2.44 0.00 3.29 0.00 0.00 3.42 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.51 0.00 14 Y 8.44 4.02 0.00 3.04 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 15 V 8.00 3.75 2.21 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 1.00 0.00 0.00 1.11 0.00 0.00 16 R 8.34 3.73 0.00 2.00 1.89 0.00 3.41 0.00 0.00 3.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 17 T 8.17 4.15 4.34 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 1.23 0.00 0.00 18 D 8.25 4.40 0.00 2.49 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 19 L 8.21 4.13 0.00 1.63 1.91 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 2.97 0.00 2.16 2.51 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 21 E 6.74 4.50 0.00 1.66 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.18 0.00 22 F 5.46 3.91 0.00 2.97 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 23 R 8.99 4.51 0.00 1.81 1.91 0.00 3.18 0.00 0.00 3.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 24 P 0.00 4.31 0.00 2.27 2.10 0.00 3.95 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 2.04 2.02 0.00 25 G 8.04 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 0.00 0.00 0.00 26 D 7.99 5.35 0.00 2.35 2.56 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 27 T 7.38 4.43 4.61 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 1.26 0.00 0.00 28 V 9.95 3.17 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 1.20 0.00 0.00 1.17 0.00 0.00 29 R 8.12 5.04 0.00 1.83 1.89 0.00 3.24 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 30 V 8.30 4.33 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 0.89 0.00 0.00 1.20 0.00 0.00 31 S 8.04 4.10 0.00 3.31 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 32 Y 7.51 4.44 0.00 2.98 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 33 K 8.82 5.51 0.00 0.79 0.87 0.00 1.22 0.00 0.00 1.38 0.00 0.00 2.53 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.54 0.21 7.81 34 V 8.14 4.67 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 0.84 0.00 0.00 1.04 0.00 0.00 35 K 9.60 3.95 0.00 1.63 1.92 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.79 7.81 36 E 7.29 3.65 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 37 G 8.20 4.82 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 0.00 0.00 0.00 38 N 8.68 4.04 0.00 2.83 2.93 0.00 0.00 5.92 7.66 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 39 R 9.78 3.46 0.00 2.01 2.08 0.00 3.19 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 40 T 8.66 3.19 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 1.21 0.00 0.00 41 R 7.18 3.48 0.00 1.89 2.34 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 42 I 7.77 4.26 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 0.92 0.00 0.00 43 Q 8.24 4.68 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 44 D 8.77 4.89 0.00 2.69 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 45 F 8.79 4.62 0.00 2.90 2.97 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 46 E 9.12 4.26 0.00 2.18 1.71 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 0.00 2.24 2.21 0.00 47 G 10.18 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.04 4.52 1.56 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 1.06 1.36 0.67 0.00 0.00 49 V 7.77 4.68 1.73 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 0.88 0.00 0.00 0.68 0.00 0.00 50 I 8.15 4.43 2.03 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 1.24 0.00 0.00 51 R 8.93 4.51 0.00 1.84 1.98 0.00 3.23 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 52 I 8.46 3.43 2.29 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 1.25 0.72 0.99 0.00 0.00 53 R 8.94 4.26 0.00 2.19 1.86 0.00 3.41 0.00 0.00 3.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 54 R 7.06 3.88 0.00 1.71 1.38 0.00 3.34 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 0.00 55 N 7.59 5.20 0.00 2.02 2.48 0.00 0.00 6.21 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 56 G 7.95 4.31 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 57 F 9.89 5.99 0.00 2.82 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 58 N 8.79 5.09 0.00 2.87 2.98 0.00 0.00 6.98 7.32 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 59 T 8.15 3.63 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 1.12 0.00 0.00 60 T 6.17 4.28 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 1.08 0.00 0.00 61 F 8.28 5.54 0.00 2.83 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 62 T 8.03 4.67 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 1.12 0.00 0.00 63 V 8.42 4.08 1.88 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 0.67 0.00 0.00 0.70 0.00 0.00 64 R 8.73 4.40 0.00 1.71 1.88 0.00 3.38 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 65 K 7.94 4.81 0.00 1.74 1.77 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.34 7.81 66 V 8.54 4.72 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 1.24 0.00 0.00 1.12 0.00 0.00 67 S 8.90 4.93 0.00 4.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.14 5.14 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.29 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 0.00 0.00 0.00 70 V 8.50 3.62 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 0.86 0.00 0.00 -0.51 0.00 0.00 71 G 7.27 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.55 4.05 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 0.96 0.00 0.00 0.89 0.00 0.00 73 E 8.23 4.60 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 74 R 8.71 4.76 0.00 1.59 1.82 0.00 3.06 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 75 I 8.51 4.92 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.97 0.00 0.00 76 F 9.34 5.04 0.00 3.19 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 77 P 0.00 4.87 0.00 1.88 1.86 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 78 L 8.47 4.59 0.00 1.26 1.45 1.38 1.15 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 79 H 9.59 4.05 0.00 3.00 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.45 4.03 0.00 3.78 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 81 P 0.00 4.05 0.00 2.19 2.27 0.00 3.94 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 3.05 0.00 82 L 7.74 3.49 0.00 1.77 1.88 0.73 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.63 3.59 1.91 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 1.33 1.20 0.94 0.00 0.00 84 Q 8.53 4.01 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 85 K 7.43 4.15 0.00 1.91 1.69 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.56 7.81 86 I 8.75 4.37 2.11 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 1.20 0.90 1.33 0.00 0.00 87 D 8.82 4.60 0.00 3.08 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 0.00 0.00 0.00 88 I 8.44 5.02 1.93 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 1.12 0.50 0.90 0.00 0.00 89 V 8.89 4.60 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 0.99 0.00 0.00 0.98 0.00 0.00 90 Q 8.80 4.62 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 91 R 8.61 4.40 0.00 1.63 1.91 0.00 3.08 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 92 G 8.38 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 93 R 8.45 4.62 0.00 1.85 1.87 0.00 3.19 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 94 A 8.36 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.93 4.70 0.00 1.83 1.80 0.00 3.24 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 96 R 8.57 4.15 0.00 2.02 1.96 0.00 3.32 0.00 0.00 3.73 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 97 A 8.07 4.49 1.20 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 0.00 0.00 98 K 9.77 3.81 0.00 1.84 1.90 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 99 L 7.68 3.30 0.00 1.71 1.52 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.09 4.32 0.00 3.08 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 0.00 101 F 8.64 4.45 0.00 3.40 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 0.00 102 I 7.68 4.42 1.96 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 1.45 1.47 1.07 0.00 0.00 103 R 8.81 4.04 0.00 1.81 2.47 0.00 2.99 0.00 0.00 2.92 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 N 8.73 4.67 0.00 2.79 2.84 0.00 0.00 6.84 6.61 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 0.00 105 L 9.03 3.91 0.00 1.80 1.36 0.97 1.03 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 0.00 106 S 8.85 4.25 0.00 3.90 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 0.00 107 D 8.84 4.49 0.00 2.67 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 0.00 108 R 8.20 4.50 0.00 1.78 1.95 0.00 3.23 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 109 E 8.82 2.76 0.00 2.12 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 2.26 2.53 0.00 110 I 5.42 3.18 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.92 0.00 0.00 111 R 7.92 3.75 0.00 1.88 1.93 0.00 3.16 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 112 R 8.50 3.86 0.00 1.82 1.88 0.00 3.34 0.00 0.00 3.35 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 113 K 7.92 4.04 0.00 1.95 1.91 0.00 2.14 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.69 7.81 114 L 8.53 3.40 0.00 1.98 1.60 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.19 3.99 0.00 1.90 2.05 0.00 3.20 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 116 A 8.13 4.05 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 0.00 117 D 8.39 4.69 0.00 2.74 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