NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1903 8.3144 121.7901 56.1450 32.9486 174.6026 2 E 4.1873 8.6345 128.0774 53.3604 30.5420 175.0513 3 T 4.1991 8.6842 118.7307 61.2752 72.0905 174.7583 4 A 4.0117 8.5506 123.3713 55.3491 18.2650 179.9591 5 A 4.1288 8.0058 118.6376 55.3213 18.6292 179.5984 6 A 4.0103 7.9931 118.9135 55.0985 18.4203 179.8224 7 K 4.1018 8.3939 118.3982 59.3682 32.1499 178.9334 8 F 4.1655 8.3458 121.2042 61.4070 39.3603 176.9791 9 E 3.9773 8.1883 118.3365 59.3119 28.9856 179.4575 10 R 3.8649 7.7165 117.7394 59.6548 30.3214 178.3954 11 Q 3.9380 7.9631 116.4356 58.1723 28.9658 176.4442 12 H 4.6526 8.0230 114.3406 54.0398 31.7208 173.3905 13 M 4.6627 7.8695 118.5238 54.1567 33.2243 176.8148 14 D 4.8093 8.8228 122.6608 53.3433 41.9905 175.5716 15 S 4.5279 8.4355 114.8756 59.0840 63.4790 175.1745 16 S 4.4947 7.7230 114.1381 58.9817 63.3826 174.0181 17 T 4.7059 7.3319 110.2420 59.9403 71.5774 173.9383 18 S 4.2003 8.5065 116.4779 60.4349 63.7054 173.3762 19 A 3.9702 6.9959 120.9336 50.9144 21.3732 175.1416 20 A 3.2484 8.1356 123.0977 51.9781 18.4269 178.2612 21 S 4.2041 8.5108 118.9380 61.0836 63.6342 173.9139 22 S 4.5831 7.5260 113.8449 56.9890 65.3757 174.4924 23 S 4.4126 8.5907 113.5395 59.7413 63.1953 174.3088 24 N 4.7840 7.9011 118.7372 53.4885 39.2619 175.8783 25 Y 4.0268 8.1293 120.8687 61.1650 38.7270 177.5318 26 C 4.1409 8.1886 116.5214 60.1375 39.7099 175.7265 27 N 4.4122 8.2828 117.4089 56.6551 38.1461 177.3392 28 Q 3.9508 7.8098 118.6332 59.3500 28.8780 178.7504 29 M 3.8372 7.5621 121.0705 57.7624 31.8004 178.7482 30 M 4.0416 8.2459 119.4260 58.0993 32.1650 178.7865 31 K 4.0410 7.8903 119.9464 59.0839 32.1936 179.1826 32 S 4.2277 8.1559 114.1669 60.7109 62.6906 175.4221 33 R 4.3683 7.6882 119.9303 55.2624 29.9704 175.6655 34 N 4.2750 7.8015 115.6063 54.7632 37.4711 174.7579 35 L 4.3498 7.9931 115.8274 55.1786 41.9164 178.0939 36 T 5.3885 7.5959 107.7562 60.4243 69.1683 175.6718 37 K 3.9827 8.2860 123.3064 59.8376 32.1222 177.1879 38 D 4.7893 7.9542 114.5256 53.1592 42.6812 176.0866 39 R 3.7784 7.1456 113.8202 55.1196 31.5918 174.9777 40 C 4.5695 8.6025 117.3947 55.6817 39.5906 173.5440 41 K 4.0999 8.2080 126.1578 56.4172 31.7658 175.1883 42 P 4.5849 0.0000 0.0000 65.4467 32.5985 176.2875 43 V 5.0134 7.6114 118.0598 61.4626 34.8283 173.8047 44 N 4.7506 9.2128 124.1796 52.7566 42.6293 172.9034 45 T 4.7983 7.9839 121.5200 61.6618 71.5650 172.9230 46 F 4.8948 8.8958 124.6372 55.6246 42.2285 174.6391 47 V 4.5317 8.8562 122.6630 61.2848 33.7566 175.1518 48 H 5.8436 8.6299 127.1869 53.4270 26.6669 173.0045 49 E 4.9224 7.8024 118.9850 54.4691 34.7877 175.8327 50 S 4.3585 8.6075 115.1103 57.9812 64.1800 175.1275 51 L 3.9837 8.6870 123.3966 58.4266 41.9232 179.1033 52 A 4.1846 8.0574 120.1796 55.5245 18.0834 179.2288 53 D 4.3544 7.8499 115.8942 57.3211 41.2511 178.8605 54 V 3.8204 7.7656 118.7691 66.0096 31.4910 178.1995 55 Q 3.9599 8.7982 117.8619 58.6586 28.5278 178.3541 56 A 4.0528 8.0011 121.2475 54.2345 18.3441 179.5440 57 V 3.5095 7.5983 116.5723 65.7885 31.2974 176.8206 58 C 3.9081 7.5803 114.7139 58.1574 39.9282 174.1073 59 S 4.5957 7.4291 115.4105 58.2368 64.1921 174.5273 60 Q 4.3072 7.2278 121.8909 55.6220 27.2181 177.9648 61 K 4.2749 8.1628 132.4476 56.8050 32.8384 174.9379 62 N 4.6008 8.8530 127.5264 53.6352 39.1319 174.3501 63 V 4.6006 8.3417 118.0202 59.2730 36.7333 174.8284 64 A 4.3249 8.3848 124.8927 52.1728 19.1563 178.5205 65 C 4.7212 8.8177 119.3953 55.9146 41.2251 175.3214 66 K 3.7693 8.8371 120.9928 59.3188 31.6071 177.9921 67 N 4.6810 8.1741 114.1922 52.4562 37.3248 176.1003 68 G 3.9299 8.0689 108.0004 45.8818 0.0000 174.4427 69 Q 4.2039 7.9254 118.6944 56.3740 29.2228 176.6013 70 T 4.5005 8.2865 107.3179 61.5425 69.3721 173.6906 71 N 4.9435 7.8831 118.9090 53.6909 38.4637 175.0331 72 C 5.2860 7.3277 115.8071 56.9810 40.9939 172.7999 73 Y 5.1365 8.6280 117.8261 56.6879 42.3661 173.7547 74 Q 5.1176 9.0966 125.5399 54.0698 31.5033 174.8085 75 S 4.3845 8.5197 121.4932 58.6109 63.1745 174.2672 76 Y 4.4663 8.7981 121.6275 60.6744 37.9342 176.4546 77 S 5.0270 7.8597 113.9738 56.9750 65.1893 174.4263 78 T 4.3284 8.2886 111.7535 61.8519 70.0007 173.7167 79 M 5.0439 8.9331 122.0271 53.4137 36.6669 174.7064 80 S 4.8202 9.3744 117.5440 58.2103 63.6966 173.0962 81 I 5.1330 8.9541 120.2158 59.4401 41.6485 174.2186 82 T 4.9724 8.8983 119.4438 61.8895 71.9749 172.4460 83 D 4.9329 9.1733 127.0992 53.1062 43.0518 174.1706 84 C 5.5022 9.1890 124.2913 55.4236 41.4863 173.2578 85 R 5.4152 8.6575 122.3882 54.0380 34.1193 174.8530 86 E 4.2473 8.7531 122.7402 56.7453 30.3482 177.3569 87 T 4.3198 8.3660 114.2395 60.2757 70.2947 176.0683 88 G 3.6724 8.5107 110.7124 48.6693 0.0000 175.1828 89 S 4.2426 7.4547 114.2038 60.1517 63.2335 174.8120 90 S 3.9250 7.3803 114.7881 58.6715 62.4466 173.8607 91 K 4.2622 8.6729 127.8136 55.3786 34.0439 174.1837 92 Y 4.2679 8.7865 128.2291 57.8097 38.9972 174.6690 93 P 3.4705 0.0000 0.0000 62.9009 32.5440 176.6248 94 N 4.6218 7.9601 119.9374 52.4649 37.1052 174.2169 95 C 4.5793 7.7024 115.9350 56.8997 39.1452 173.6694 96 A 5.0409 8.4214 124.2937 50.5980 22.2015 174.6709 97 Y 5.1999 9.7417 118.5542 56.1187 42.3939 174.6382 98 K 4.6016 9.1883 123.2245 55.3000 34.4261 175.0429 99 T 4.6760 8.5844 124.0992 62.6660 69.9510 174.2091 100 T 4.6557 8.6190 122.9363 61.7704 71.9934 173.5163 101 Q 4.6219 8.8370 125.2464 55.8629 29.9772 174.9849 102 A 4.5700 8.4487 122.3163 51.3926 23.5278 175.3663 103 N 5.7813 8.6063 115.6614 50.4728 41.0954 173.7958 104 K 4.7739 8.2596 122.0389 54.4200 37.5542 175.0587 105 H 4.8930 8.7310 117.9867 55.6892 30.2080 174.8824 106 I 4.9044 8.4852 115.1377 59.2454 40.9554 174.4302 107 I 4.9459 8.1445 123.9105 59.7353 40.1642 175.0420 108 V 4.6650 8.4340 119.6405 59.2873 35.8121 174.4002 109 A 4.9622 8.6330 125.0062 50.9124 20.6456 175.7193 110 C 5.1071 8.4972 119.7334 55.4605 40.3842 172.9379 111 E 4.7215 8.7508 120.1183 56.7674 33.5781 176.0295 112 G 4.0346 9.2620 111.5935 44.6190 0.0000 171.3165 113 N 5.0930 8.2541 116.3383 50.7553 40.7510 172.5822 114 P 4.4047 0.0000 0.0000 62.3914 32.1423 175.4552 115 Y 4.9751 8.2897 120.1691 57.4724 38.7561 174.7132 116 V 4.4566 8.2682 119.5562 58.3804 36.6334 173.4751 117 P 4.3729 0.0000 0.0000 62.8204 31.3262 176.9774 118 V 4.4652 8.2500 114.9417 60.8330 34.0469 175.0356 119 H 4.8431 7.6982 118.4186 55.2697 33.2689 171.8665 120 F 4.6846 8.9564 128.1972 57.3325 39.7078 174.3496 121 D 4.5146 8.2860 126.5504 55.7042 41.9366 175.6198 122 A 4.6258 6.6157 117.2780 51.6801 22.5478 174.4244 123 S 5.0849 8.7789 112.1478 56.9196 66.3232 174.8073 124 V 4.1517 8.5524 114.1696 61.7243 31.9713 175.4442 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 K 8.31 4.19 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.63 4.19 0.00 2.06 1.85 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 2.27 2.38 0.00 3 T 8.68 4.20 4.26 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 1.23 0.00 0.00 4 A 8.55 4.01 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 A 8.01 4.13 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 6 A 7.99 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.39 4.10 0.00 1.95 2.02 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 8 F 8.35 4.17 0.00 3.18 3.22 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 0.00 9 E 8.19 3.98 0.00 2.21 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 2.50 2.71 0.00 10 R 7.72 3.86 0.00 1.85 2.08 0.00 3.40 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 Q 7.96 3.94 0.00 1.57 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.51 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 12 H 8.02 4.65 0.00 2.10 2.73 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.87 4.66 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 14 D 8.82 4.81 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.44 4.53 0.00 3.93 3.92 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 16 S 7.72 4.49 0.00 4.09 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 17 T 7.33 4.71 4.27 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 1.16 0.00 0.00 18 S 8.51 4.20 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.14 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.51 4.20 0.00 3.99 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 22 S 7.53 4.58 0.00 4.00 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 23 S 8.59 4.41 0.00 4.04 4.05 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 24 N 7.90 4.78 0.00 2.75 2.88 0.00 0.00 6.53 7.36 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 25 Y 8.13 4.03 0.00 3.14 2.99 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 26 C 8.19 4.14 0.00 3.12 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 27 N 8.28 4.41 0.00 2.91 2.93 0.00 0.00 7.09 7.69 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 28 Q 7.81 3.95 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 29 M 7.56 3.84 0.00 0.94 1.16 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.51 0.00 30 M 8.25 4.04 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.34 0.00 31 K 7.89 4.04 0.00 2.00 1.93 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.30 7.81 32 S 8.16 4.23 0.00 4.03 4.03 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 33 R 7.69 4.37 0.00 1.97 2.03 0.00 3.62 0.00 0.00 3.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 34 N 7.80 4.28 0.00 2.90 2.91 0.00 0.00 7.10 7.26 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 35 L 7.99 4.35 0.00 1.87 1.63 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.60 5.39 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 37 K 8.29 3.98 0.00 1.92 1.93 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.65 7.81 38 D 7.95 4.79 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 3.78 0.00 1.80 1.74 0.00 2.93 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 40 C 8.60 4.57 0.00 3.06 3.16 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 41 K 8.21 4.10 0.00 1.94 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.42 7.81 42 P 0.00 4.58 0.00 2.19 2.32 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 43 V 7.61 5.01 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 0.78 0.00 0.00 0.97 0.00 0.00 44 N 9.21 4.75 0.00 2.61 2.24 0.00 0.00 6.92 7.49 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 45 T 7.98 4.80 2.89 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 0.81 0.00 0.00 46 F 8.90 4.89 0.00 2.98 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 47 V 8.86 4.53 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 48 H 8.63 5.84 0.00 3.05 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.80 4.92 0.00 1.85 1.85 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 2.26 2.30 0.00 50 S 8.61 4.36 0.00 4.03 4.02 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 0.00 0.00 0.00 51 L 8.69 3.98 0.00 1.83 1.75 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.06 4.18 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 53 D 7.85 4.35 0.00 2.90 2.78 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 0.00 0.00 0.00 54 V 7.77 3.82 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 1.24 0.00 0.00 1.11 0.00 0.00 55 Q 8.80 3.96 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 56 A 8.00 4.05 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 57 V 7.60 3.51 2.13 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 1.06 0.00 0.00 0.94 0.00 0.00 58 C 7.58 3.91 0.00 2.81 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 59 S 7.43 4.60 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.23 4.31 0.00 1.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 61 K 8.16 4.27 0.00 1.80 1.79 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 N 8.85 4.60 0.00 2.87 2.71 0.00 0.00 7.00 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 63 V 8.34 4.60 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 0.68 0.00 0.00 0.81 0.00 0.00 64 A 8.38 4.32 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 65 C 8.82 4.72 0.00 3.08 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 66 K 8.84 3.77 0.00 1.77 1.89 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 67 N 8.17 4.68 0.00 2.81 2.89 0.00 0.00 6.15 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 68 G 8.07 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 0.00 0.00 0.00 69 Q 7.93 4.20 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 70 T 8.29 4.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 N 7.88 4.94 0.00 3.03 3.12 0.00 0.00 6.07 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 72 C 7.33 5.29 0.00 2.76 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 73 Y 8.63 5.14 0.00 2.76 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 74 Q 9.10 5.12 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 75 S 8.52 4.38 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.80 4.47 0.00 3.05 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 77 S 7.86 5.03 0.00 3.80 3.82 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 78 T 8.29 4.33 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 1.05 0.00 0.00 79 M 8.93 5.04 0.00 1.94 2.00 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 2.54 2.48 0.00 80 S 9.37 4.82 0.00 3.91 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 81 I 8.95 5.13 1.91 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 1.26 0.58 1.03 0.00 0.00 82 T 8.90 4.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 83 D 9.17 4.93 0.00 2.79 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 84 C 9.19 5.50 0.00 2.89 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 85 R 8.66 5.42 0.00 1.75 1.82 0.00 3.30 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 86 E 8.75 4.25 0.00 1.82 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 1.79 1.97 0.00 87 T 8.37 4.32 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 1.24 0.00 0.00 88 G 8.51 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.45 4.24 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.38 3.93 0.00 3.84 3.75 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 91 K 8.67 4.26 0.00 1.81 1.60 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.38 7.81 92 Y 8.79 4.27 0.00 3.09 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 93 P 0.00 3.47 0.00 1.75 1.02 0.00 3.62 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 94 N 7.96 4.62 0.00 2.84 2.77 0.00 0.00 7.00 8.15 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 95 C 7.70 4.58 0.00 3.10 3.02 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 0.00 0.00 0.00 96 A 8.42 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.74 5.20 0.00 2.88 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 98 K 9.19 4.60 0.00 1.85 1.73 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 99 T 8.58 4.68 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 1.34 0.00 0.00 100 T 8.62 4.66 4.27 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 1.23 0.00 0.00 101 Q 8.84 4.62 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 102 A 8.45 4.57 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.61 5.78 0.00 2.54 2.73 0.00 0.00 7.05 7.61 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 0.00 104 K 8.26 4.77 0.00 1.70 1.71 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 105 H 8.73 4.89 0.00 3.10 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.49 4.90 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 1.11 0.00 0.00 107 I 8.14 4.95 1.78 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 1.14 0.64 0.79 0.00 0.00 108 V 8.43 4.67 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 0.62 0.00 0.00 0.85 0.00 0.00 109 A 8.63 4.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.50 5.11 0.00 1.95 1.89 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 0.00 111 E 8.75 4.72 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 2.23 2.29 0.00 112 G 9.26 4.03 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 0.00 113 N 8.25 5.09 0.00 2.65 2.70 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.40 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.29 4.98 0.00 2.80 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 0.00 116 V 8.27 4.46 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 0.62 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.37 0.00 0.55 1.06 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 118 V 8.25 4.47 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 0.64 0.00 0.00 0.96 0.00 0.00 119 H 7.70 4.84 0.00 3.25 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.96 4.68 0.00 2.77 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 0.00 121 D 8.29 4.51 0.00 2.60 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 0.00 122 A 6.62 4.63 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 0.00 123 S 8.78 5.08 0.00 4.04 4.03 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 0.00 124 V 8.55 4.15 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 0.66 0.00 0.00 0.95 0.00 0.00