NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3158 8.1233 122.4673 51.8181 20.6760 175.1924 2 D 5.2477 8.2825 119.3534 52.0961 43.5095 174.5498 3 F 4.9230 10.1955 122.3520 55.6425 43.9540 173.3238 4 E 5.0774 8.8385 118.6792 54.6331 32.6641 175.7881 5 V 4.4889 8.5632 122.8842 61.4682 34.8825 173.8535 6 H 5.4552 9.4446 124.7765 54.4983 31.7757 173.3997 7 M 4.7611 8.8091 121.5851 53.7246 33.9487 175.1284 8 L 5.0617 8.4309 123.2309 52.8103 45.7181 177.6694 9 N 4.4681 9.7551 119.7813 55.7869 39.7279 175.5515 10 K 4.9321 7.8880 118.2290 54.8075 35.5919 175.0952 11 G 4.1155 9.0761 113.8717 44.3158 0.0000 172.3443 12 K 3.8085 8.3786 119.5434 59.7898 31.9916 177.9907 13 D 4.6278 7.9248 114.8510 54.2004 41.4983 174.9808 14 G 3.8079 7.7864 105.4103 44.0720 0.0000 173.2368 15 A 4.5994 8.4604 122.5501 52.8846 19.7074 176.9892 16 M 3.1733 8.7613 121.1620 55.9147 29.4127 176.2285 17 V 4.6343 8.2727 113.7460 59.3481 36.8462 174.2743 18 F 5.1712 8.9233 120.9360 56.2761 40.8337 175.3292 19 E 4.8645 9.4377 122.6118 53.8680 32.8285 173.8421 20 P 4.8782 0.0000 0.0000 62.8093 32.3793 176.2517 21 A 4.6719 8.7724 121.3766 52.8876 20.0946 177.0044 22 S 5.0311 7.8126 109.4937 56.4874 66.1184 173.4583 23 L 4.5826 8.6162 124.0805 53.3443 45.8657 174.0502 24 K 4.8370 8.4577 126.5291 54.7608 34.1597 175.2178 25 V 4.3901 8.6870 119.4938 59.3320 36.3424 174.5222 26 A 4.8090 9.2003 123.7237 49.9810 20.9424 175.4226 27 P 4.4392 0.0000 0.0000 64.3133 31.6879 177.4298 28 G 4.0191 9.0840 112.3789 45.0850 0.0000 173.3157 29 D 4.9754 8.2076 119.9811 54.3142 42.5456 175.2713 30 T 5.2338 8.8233 110.3480 60.0214 71.8885 173.1440 31 V 4.8846 8.7038 123.4165 61.5126 34.9092 174.0270 32 T 4.8779 8.6632 124.5011 62.0028 70.7015 173.4180 33 F 5.0416 9.5208 126.3432 56.4256 40.9881 174.9041 34 I 4.7809 8.8995 125.3288 58.7050 40.0500 173.3840 35 P 4.7977 0.0000 0.0000 62.8543 30.1439 176.1666 36 T 4.1289 8.6609 123.8551 66.1938 69.0422 174.6801 37 D 4.9654 7.7725 119.1981 52.1885 42.9944 176.4925 38 K 4.2601 8.2398 120.9488 57.4443 32.7131 177.6026 39 G 3.9518 9.6076 110.0649 45.5585 0.0000 173.0716 40 H 5.0227 7.8429 116.2523 54.0402 31.4945 172.5920 41 N 5.2806 8.0544 116.6581 52.2157 40.7616 172.9082 42 V 4.9138 8.6049 117.0559 60.5383 35.0208 174.1610 43 E 5.0452 9.1271 123.9559 54.5103 33.4239 174.3767 44 T 4.1652 7.7362 116.2025 61.6118 69.9208 173.9599 45 I 3.9205 8.4240 125.4930 60.2318 38.5871 175.8786 46 K 4.0134 8.4572 126.4575 58.0500 32.3046 177.5329 47 G 4.0063 9.0090 111.1380 45.8719 0.0000 173.2143 48 M 4.7899 7.9244 119.9603 54.8392 33.0384 175.1179 49 I 4.4697 7.4361 110.1269 57.9131 40.9982 173.0601 50 P 4.3958 0.0000 0.0000 61.9594 32.1614 175.3369 51 D 4.4560 8.1942 119.0063 55.8518 41.0674 177.4118 52 G 3.9147 9.0554 111.0781 45.1343 0.0000 173.0769 53 A 4.7959 7.3429 121.4604 50.6377 20.9037 176.0847 54 E 4.6981 8.4803 118.7456 54.1774 31.8094 176.4858 55 A 4.1946 8.3681 125.3375 52.2826 19.4197 176.4736 56 F 5.1611 7.8777 113.5905 55.5541 42.1534 173.8727 57 K 4.8599 8.4764 120.8498 55.6362 34.5064 175.5808 58 S 4.1179 8.6194 123.4787 56.9173 65.0496 174.0145 59 K 4.3101 9.3825 119.8535 55.1932 32.8264 177.0811 60 I 3.9706 8.0036 121.9623 63.1906 37.3683 176.4546 61 N 4.4359 8.7975 120.7638 53.4291 36.8785 174.1111 62 E 4.5765 7.6898 115.8074 54.7922 31.3600 175.4187 63 N 4.8242 8.6389 118.5102 53.3244 39.6307 173.8040 64 Y 4.6143 9.2377 125.9712 55.7302 41.2110 173.9557 65 K 4.8904 8.2113 128.7860 54.9077 33.8419 175.7972 66 V 3.9922 8.4737 126.6966 59.9701 34.3335 174.4343 67 T 4.6900 8.0823 121.1982 62.1140 69.8126 174.1853 68 F 4.1341 8.9813 126.7162 57.3655 39.7083 175.6259 69 T 4.2231 8.9027 113.8944 63.2662 70.2325 174.6459 70 A 4.2454 7.9254 126.3503 50.1712 19.1957 175.5639 71 P 4.5730 0.0000 0.0000 62.7591 32.5066 176.3708 72 G 3.9163 7.6847 106.0513 43.9033 0.0000 171.8605 73 V 4.7098 7.7632 119.9567 61.6718 33.0335 175.1322 74 Y 4.7902 9.2792 125.5057 56.1783 40.7835 174.7755 75 G 4.2988 9.0804 112.2687 45.0460 0.0000 173.0538 76 V 5.0403 8.6628 117.2854 59.2072 35.8595 174.6372 77 K 5.2105 8.8943 121.4193 55.5818 36.8701 174.1989 78 C 5.0398 8.9261 120.9287 57.7290 31.7198 174.1721 79 T 3.9021 9.4812 124.6733 66.3140 68.2739 174.9451 80 P 4.3923 0.0000 0.0000 65.2136 31.7781 176.6117 81 H 4.9930 7.5864 111.7513 55.5596 29.3881 175.4163 82 Y 4.3918 8.0989 124.6709 60.8491 38.6361 178.8642 83 G 3.5312 8.0941 106.9284 48.1241 0.0000 173.8246 84 M 4.2004 7.9456 117.4270 55.6272 32.2868 176.7543 85 G 3.9055 8.1819 107.5677 45.4020 0.0000 174.2218 86 M 4.7294 8.0019 121.1400 54.1585 31.5675 175.3855 87 V 5.1170 8.2970 116.7109 60.0473 36.7884 173.5533 88 G 4.0762 8.6761 108.3636 45.6478 0.0000 172.0751 89 V 4.9353 8.7806 119.0001 60.9368 35.3309 174.1394 90 V 4.6503 8.8567 127.2211 61.1084 34.3407 173.6490 91 Q 4.7855 8.8717 130.0703 54.6857 30.9186 174.2016 92 V 4.4290 9.2310 127.7704 63.1509 33.1513 176.1572 93 G 4.2353 9.0725 115.4265 44.9431 0.0000 171.3893 94 D 4.4891 8.2571 117.6604 53.8772 42.3287 176.3235 95 A 3.7155 8.5347 121.9091 52.4168 15.6404 176.3404 96 P 4.2306 0.0000 0.0000 62.5709 32.0540 178.1383 97 A 4.0301 8.6855 126.6784 54.0843 18.7620 177.3293 98 N 4.8019 7.9100 112.2312 52.6964 38.1911 176.3863 99 L 3.8846 7.7040 122.4107 59.0456 41.8269 179.0828 100 E 3.9979 8.0878 116.1351 59.1685 29.2525 178.7266 101 A 4.1211 7.8944 120.5986 55.2076 18.3523 179.9362 102 V 3.6406 8.1180 111.0788 64.1961 31.3545 178.9442 103 K 4.1032 7.9353 117.6674 58.8258 31.9333 178.7372 104 G 3.7797 7.6052 103.1500 44.5949 0.0000 174.0820 105 A 4.1491 7.0646 124.2070 52.0741 19.0322 177.1016 106 K 4.4226 8.3723 120.7155 55.6987 33.2713 176.2576 107 N 5.1398 8.2553 119.2534 49.7439 42.9478 173.0527 108 P 4.2945 0.0000 0.0000 62.4125 33.2200 176.9316 109 K 3.7484 8.6123 120.8580 60.2161 31.7071 179.1814 110 K 3.9638 7.9739 117.5058 59.2593 31.9392 179.1575 111 A 4.0265 7.7757 120.8053 55.0967 18.3216 179.2905 112 Q 3.9439 8.3315 118.3622 59.2345 28.9692 178.1330 113 E 3.9674 8.3453 119.7621 59.7258 29.4971 179.6690 114 R 4.0197 7.8003 117.5796 58.9824 30.0829 179.0687 115 L 4.0276 8.4166 119.4615 57.8467 41.6045 179.2365 116 D 4.3479 8.6069 119.1641 57.1824 40.7353 178.7200 117 A 3.9880 7.8495 121.2809 55.0689 18.1850 179.5881 118 A 3.9613 7.9993 118.3704 55.2640 18.8783 179.5379 119 L 4.0544 8.3569 117.7334 57.9110 41.6998 179.6428 120 A 4.3015 8.4161 121.8511 54.4722 18.0813 179.4079 121 A 4.0857 7.8592 118.1550 54.4319 18.5280 178.8222 122 L 4.3079 7.5291 115.4086 54.6238 42.0299 177.1301 123 G 3.8481 8.0849 107.0675 46.4501 0.0000 173.5941 124 N 4.5756 8.0572 122.3293 52.9907 39.2073 174.6108 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 A 8.12 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.28 5.25 0.00 2.48 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 3 F 10.20 4.92 0.00 2.88 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 4 E 8.84 5.08 0.00 1.83 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 2.16 2.24 0.00 5 V 8.56 4.49 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 1.48 0.00 0.00 0.81 0.00 0.00 6 H 9.44 5.46 0.00 3.14 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.81 4.76 0.00 1.66 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 8 L 8.43 5.06 0.00 1.52 1.48 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 N 9.76 4.47 0.00 2.70 2.86 0.00 0.00 6.51 7.62 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 10 K 7.89 4.93 0.00 1.62 1.61 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.49 7.81 11 G 9.08 4.12 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 0.00 12 K 8.38 3.81 0.00 1.71 1.89 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.44 7.81 13 D 7.92 4.63 0.00 2.74 2.71 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 0.00 0.00 0.00 14 G 7.79 3.81 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 0.00 0.00 0.00 15 A 8.46 4.60 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 16 M 8.76 3.17 0.00 2.12 2.07 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 2.41 2.58 0.00 17 V 8.27 4.63 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 0.87 0.00 0.00 0.97 0.00 0.00 18 F 8.92 5.17 0.00 2.95 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 19 E 9.44 4.86 0.00 1.91 1.87 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 2.27 2.27 0.00 20 P 0.00 4.88 0.00 2.29 2.09 0.00 3.82 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 2.00 2.00 0.00 21 A 8.77 4.67 1.38 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 0.00 0.00 0.00 22 S 7.81 5.03 0.00 3.80 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 23 L 8.62 4.58 0.00 1.65 1.30 0.63 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.46 4.84 0.00 1.69 1.57 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 1.35 7.81 25 V 8.69 4.39 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 -0.23 0.00 0.00 0.74 0.00 0.00 26 A 9.20 4.81 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 27 P 0.00 4.44 0.00 2.09 2.07 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 28 G 9.08 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 0.00 0.00 0.00 29 D 8.21 4.98 0.00 2.87 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 30 T 8.82 5.23 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 1.22 0.00 0.00 31 V 8.70 4.88 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 0.38 0.00 0.00 1.00 0.00 0.00 32 T 8.66 4.88 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 1.22 0.00 0.00 33 F 9.52 5.04 0.00 3.20 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 34 I 8.90 4.78 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.98 0.00 0.00 35 P 0.00 4.80 0.00 2.21 2.18 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 36 T 8.66 4.13 4.42 0.00 0.00 0.00 0.00 0.00 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 37 D 7.77 4.97 0.00 2.71 2.62 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 38 K 8.24 4.26 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.38 7.81 39 G 9.61 3.95 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 0.00 0.00 0.00 40 H 7.84 5.02 0.00 3.16 3.10 0.00 5.61 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 41 N 8.05 5.28 0.00 2.75 2.88 0.00 0.00 5.42 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 42 V 8.60 4.91 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 0.64 0.00 0.00 0.43 0.00 0.00 43 E 9.13 5.05 0.00 1.88 1.59 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 1.99 2.25 0.00 44 T 7.74 4.17 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 0.24 0.00 0.00 45 I 8.42 3.92 1.78 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 0.86 0.32 0.92 0.00 0.00 46 K 8.46 4.01 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 47 G 9.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.92 4.79 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 49 I 7.44 4.47 1.62 0.00 0.00 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 1.37 0.55 0.86 0.00 0.00 50 P 0.00 4.40 0.00 2.14 2.08 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 51 D 8.19 4.46 0.00 2.67 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 52 G 9.06 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 0.00 0.00 0.00 53 A 7.34 4.80 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 54 E 8.48 4.70 0.00 2.04 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 2.26 2.32 0.00 55 A 8.37 4.19 1.18 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 0.00 0.00 0.00 56 F 7.88 5.16 0.00 3.01 3.14 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 0.00 57 K 8.48 4.86 0.00 1.67 1.64 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.35 7.81 58 S 8.62 4.12 0.00 3.68 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 59 K 9.38 4.31 0.00 1.83 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.56 7.81 60 I 8.00 3.97 1.86 0.00 0.00 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 1.39 0.71 0.86 0.00 0.00 61 N 8.80 4.44 0.00 2.92 3.01 0.00 0.00 6.96 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 62 E 7.69 4.58 0.00 2.17 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 2.53 2.41 0.00 63 N 8.64 4.82 0.00 2.68 2.86 0.00 0.00 6.68 7.46 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 64 Y 9.24 4.61 0.00 3.07 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 65 K 8.21 4.89 0.00 1.69 1.48 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.19 1.31 7.81 66 V 8.47 3.99 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 0.54 0.00 0.00 -0.21 0.00 0.00 67 T 8.08 4.69 4.13 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 0.00 0.00 0.00 1.24 0.00 0.00 68 F 8.98 4.13 0.00 2.96 2.84 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 69 T 8.90 4.22 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 1.23 0.00 0.00 70 A 7.93 4.25 1.38 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 0.00 0.00 0.00 71 P 0.00 4.57 0.00 2.23 2.11 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 72 G 7.68 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 0.00 0.00 0.00 73 V 7.76 4.71 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 0.82 0.00 0.00 0.91 0.00 0.00 74 Y 9.28 4.79 0.00 2.81 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 75 G 9.08 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 0.00 0.00 0.00 0.00 76 V 8.66 5.04 1.76 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 0.79 0.00 0.00 0.55 0.00 0.00 77 K 8.89 5.21 0.00 1.69 1.67 0.00 0.63 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.05 1.15 7.81 78 C 8.93 5.04 0.00 3.04 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 79 T 9.48 3.90 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 1.18 0.00 0.00 80 P 0.00 4.39 0.00 1.86 2.08 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 81 H 7.59 4.99 0.00 3.28 3.34 0.00 5.65 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 82 Y 8.10 4.39 0.00 3.05 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 83 G 8.09 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 84 M 7.95 4.20 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 85 G 8.18 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 0.00 0.00 0.00 86 M 8.00 4.73 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.28 0.00 87 V 8.30 5.12 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 0.99 0.00 0.00 1.09 0.00 0.00 88 G 8.68 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 89 V 8.78 4.94 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 0.96 0.00 0.00 0.92 0.00 0.00 90 V 8.86 4.65 1.74 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 0.13 0.00 0.00 0.95 0.00 0.00 91 Q 8.87 4.79 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 92 V 9.23 4.43 2.33 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 0.96 0.00 0.00 0.55 0.00 0.00 93 G 9.07 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 0.00 0.00 0.00 0.00 94 D 8.26 4.49 0.00 2.68 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 95 A 8.53 3.72 1.29 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 96 P 0.00 4.23 0.00 2.21 2.21 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 2.06 1.96 0.00 97 A 8.69 4.03 1.29 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 98 N 7.91 4.80 0.00 2.84 2.96 0.00 0.00 5.90 6.67 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 99 L 7.70 3.88 0.00 1.93 1.70 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.09 4.00 0.00 1.96 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 2.30 2.31 0.00 101 A 7.89 4.12 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 0.00 102 V 8.12 3.64 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 0.83 0.00 0.00 0.94 0.00 0.00 103 K 7.94 4.10 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.58 7.81 104 G 7.61 3.78 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 0.00 0.00 0.00 105 A 7.06 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.37 4.42 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 107 N 8.26 5.14 0.00 2.66 2.64 0.00 0.00 7.06 8.02 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 0.00 108 P 0.00 4.29 0.00 2.03 1.97 0.00 3.16 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 0.00 109 K 8.61 3.75 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.70 7.81 110 K 7.97 3.96 0.00 1.95 1.83 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 111 A 7.78 4.03 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 0.00 112 Q 8.33 3.94 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 113 E 8.35 3.97 0.00 2.21 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 2.33 2.53 0.00 114 R 7.80 4.02 0.00 2.01 2.02 0.00 3.37 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 115 L 8.42 4.03 0.00 1.81 1.73 0.99 0.93 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 0.00 116 D 8.61 4.35 0.00 2.69 2.72 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 0.00 0.00 0.00 117 A 7.85 3.99 1.35 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 0.00 118 A 8.00 3.96 1.41 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 0.00 0.00 0.00 119 L 8.36 4.05 0.00 1.81 1.72 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.42 4.30 1.38 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 0.00 0.00 0.00 121 A 7.86 4.09 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 0.00 122 L 7.53 4.31 0.00 1.87 1.75 0.89 0.67 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 0.00 123 G 8.08 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 0.00 124 N 8.06 4.58 0.00 2.99 2.65 0.00 0.00 7.08 7.56 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