NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2902 8.3144 122.1429 54.4777 33.0921 174.5531 8 V 4.2097 7.4539 120.9249 60.1441 33.9097 173.7472 9 L 4.5314 9.2949 131.8506 53.9032 43.2980 175.1903 10 K 4.4278 9.0368 127.7585 55.6029 33.4422 175.9577 11 I 4.9206 8.3954 125.8906 59.4351 39.8612 174.6732 12 Q 4.5629 9.5709 128.5854 54.2465 31.4224 174.1682 13 L 4.4900 8.5229 127.0051 53.9859 41.7295 176.9701 14 R 4.3314 8.5995 123.8537 57.9194 30.3483 176.7969 15 S 4.5468 7.8431 111.9844 56.5157 65.7635 174.7285 16 A 4.0505 8.5985 123.6495 55.0593 18.0524 179.0389 17 S 4.3258 7.9755 110.5877 60.1276 63.4244 175.0060 18 A 4.2710 7.4292 122.2250 52.4571 18.6171 176.6598 19 T 4.4074 8.1361 117.4406 61.0485 70.7646 174.6239 20 V 3.6026 8.3928 126.1673 62.5327 31.8766 173.7038 21 P 5.1908 0.0000 0.0000 62.8370 31.8263 175.8195 22 T 5.0308 8.6948 113.1351 59.6511 72.4939 173.4550 23 K 4.3199 8.7360 122.8034 56.4103 32.3269 177.7104 24 G 3.6657 8.7436 112.6096 47.6866 0.0000 173.4595 25 S 4.7283 7.5570 112.3243 55.6095 66.2573 174.6215 26 A 4.0067 8.5551 123.0133 54.9498 18.1574 178.3107 27 T 4.3203 7.0984 105.0395 61.7112 67.3380 174.3849 28 A 4.1971 7.5754 121.8959 51.1854 19.2915 178.3012 29 A 4.0554 8.5689 123.7036 54.4820 18.7469 178.2791 30 G 4.2315 7.3483 99.9340 44.4699 0.0000 172.0901 31 Y 4.6394 8.6764 119.1149 57.0619 39.6051 175.0856 32 D 4.6526 9.3960 124.4964 54.4801 42.4360 175.2506 33 I 4.7936 8.2095 123.2831 59.7320 39.9349 174.0112 34 Y 5.2326 8.6833 124.0885 55.7479 40.1005 175.6097 35 A 4.4898 9.1500 126.6562 52.6171 19.1888 178.0275 36 S 4.3421 8.9055 115.6627 58.7913 64.4539 174.3181 37 Q 4.6737 7.7633 118.0326 54.0305 32.7008 174.4834 38 D 4.7259 8.7161 122.1306 54.9248 41.8271 175.5726 39 I 4.3185 8.4703 119.7552 60.5265 42.1337 172.8129 40 T 4.9563 8.4949 124.5451 61.8878 70.8675 173.8406 41 I 4.3798 8.6876 128.1575 59.3563 38.4630 173.7419 42 P 4.8520 0.0000 0.0000 62.1924 32.5582 175.7533 43 A 4.1264 8.7891 124.6238 54.6883 18.6245 177.1930 44 M 3.6377 8.2113 119.3013 54.9034 31.2918 177.3009 45 G 4.2894 8.1729 107.7011 45.4788 0.0000 171.7615 46 Q 5.2316 8.8682 122.9959 54.7812 32.7929 175.1304 47 G 4.3389 8.8980 110.4963 45.3086 0.0000 170.8463 48 M 5.2158 8.5328 119.2169 53.3689 34.3512 175.7377 49 V 4.3210 9.0732 124.5618 61.4507 33.7534 175.2137 50 S 4.9620 8.6498 123.7603 58.6478 63.7355 174.8415 51 T 4.5661 8.7129 110.7780 60.3339 70.7575 173.4070 52 D 4.4489 9.1479 122.3364 55.3581 39.4218 172.7601 53 I 5.1545 7.6957 109.7307 59.3000 41.3794 174.6869 54 S 5.0160 8.6639 119.1325 56.8751 66.4246 173.0559 55 F 5.4987 7.8160 115.6158 56.0495 41.1628 173.7107 56 T 4.6535 8.8310 117.8384 62.0157 70.0383 174.9029 57 V 4.2087 8.6295 119.9717 60.2899 32.3305 174.5743 58 P 4.4855 0.0000 0.0000 62.2808 32.6472 176.3299 59 V 3.6480 8.2550 121.8059 64.7993 32.0481 176.3896 60 G 4.0125 9.7045 114.7160 45.2589 0.0000 171.9743 61 T 5.4085 7.4260 107.8177 59.9710 72.5571 172.2188 62 Y 4.9833 8.6864 118.8811 55.1082 42.1889 174.4328 63 G 4.2557 8.8438 107.6079 45.3004 0.0000 172.5731 64 R 5.2015 8.6278 126.9285 54.7456 32.1286 174.9883 65 I 4.7345 8.6311 128.3546 60.7554 37.6269 175.1937 66 A 4.9975 9.1264 129.2878 48.9092 22.7331 173.3262 67 P 4.6428 0.0000 0.0000 62.4713 32.4731 176.6177 68 R 4.0545 8.4599 121.3062 56.2569 30.9504 178.0750 69 S 4.2159 8.8427 119.2365 61.4188 62.8068 177.0278 70 G 3.6093 7.9904 107.9740 47.9736 0.0000 175.6225 71 L 3.8311 7.8637 121.1268 56.9699 41.6501 179.4299 72 A 4.2330 7.6457 122.1938 54.7613 18.1949 179.8905 73 V 3.5107 7.6525 115.2696 65.7492 31.6962 177.6202 74 K 4.3719 8.0647 116.5055 57.1824 32.6592 177.0680 75 N 4.8072 7.8463 113.2134 52.1965 40.2077 174.7777 76 G 3.8706 8.1086 106.1152 46.1521 0.0000 173.1335 77 I 4.6109 7.2600 120.1616 60.2982 38.8409 174.7113 78 Q 4.6984 8.8477 126.8548 54.6032 32.6862 173.9953 79 T 4.5457 8.7364 116.1241 61.4540 70.3284 173.9303 80 G 4.0990 8.5220 110.9637 43.4934 0.0000 175.5526 81 A 3.5886 10.0271 124.4305 52.6578 18.0312 180.0204 82 G 3.9803 9.0707 108.8337 47.4873 0.0000 172.5867 83 V 4.4677 7.5156 119.2644 61.8815 31.7632 174.8058 84 V 4.1276 8.9762 129.3743 61.6094 32.8395 174.9121 85 D 4.9543 8.6444 127.9161 53.6818 41.7895 177.7414 86 R 3.9955 8.9671 121.8548 59.0428 30.2089 176.8601 87 D 4.7081 8.0040 114.8475 53.1207 39.9304 175.3344 88 Y 4.3986 7.9840 122.8171 57.8217 39.0291 174.9722 89 T 4.1331 7.9397 115.4970 61.0231 69.5816 174.1695 90 G 3.4841 5.3800 111.3413 44.1491 0.0000 172.9045 91 E 3.9832 8.2860 119.9258 56.0521 29.9931 176.7081 92 V 4.1628 8.5257 126.9738 62.0654 31.2117 175.3960 93 K 4.5909 8.5342 127.0763 55.5076 33.8965 176.4370 94 V 4.2303 8.5974 123.4500 61.3572 33.4445 174.9126 95 V 4.2451 8.2361 128.3820 62.3957 32.9660 174.4316 96 L 5.0045 8.5243 127.1910 52.9095 45.3275 175.3934 97 F 5.4109 9.3490 122.8578 55.9655 41.8123 174.3216 98 N 5.1734 9.0293 121.6788 52.5853 40.2015 174.5191 99 H 4.7831 9.4906 123.9598 56.4598 29.8092 175.8251 100 S 4.5379 8.6070 115.0544 57.1880 65.2020 174.5831 101 Q 4.3442 8.4991 116.3364 55.9376 28.4534 175.8545 102 R 4.8030 7.8902 117.0593 54.1391 33.1671 175.4259 103 D 4.7439 8.8821 122.7904 54.5028 42.0456 175.7967 104 F 4.8688 9.4336 125.4314 56.4025 40.8256 174.5589 105 A 4.2078 8.2589 129.2304 51.7825 18.9623 176.1869 106 I 4.2982 8.3349 124.0268 59.7637 39.6752 175.4288 107 K 4.9743 9.2604 126.4195 53.9006 35.0882 175.7370 108 K 4.0179 8.8448 123.3218 58.5072 32.2866 176.7755 109 G 4.1219 9.6016 116.0158 45.1994 0.0000 173.3903 110 D 4.7033 8.1579 120.2496 54.1125 42.2024 175.9562 111 R 4.3384 8.5321 121.7585 56.2407 30.3801 176.6827 112 V 4.5195 8.5994 115.6044 60.9059 34.1790 174.7482 113 A 4.5217 7.3403 120.8490 51.7380 22.7336 174.5990 114 Q 4.8814 8.8352 114.8514 54.8370 32.7282 173.7312 115 L 5.0322 9.1253 123.5673 53.7299 44.0759 174.9729 116 I 4.6680 8.7247 127.4428 59.6201 40.1088 175.2419 117 L 4.4714 8.5157 127.1723 53.7495 41.0022 174.5677 118 E 4.1487 8.4835 123.1447 55.4739 30.5491 176.4131 119 K 4.8701 8.6661 124.7491 56.5947 33.0022 176.2885 120 I 4.6929 8.2648 115.8184 59.7037 41.1905 174.5091 121 V 4.0368 8.3839 123.4104 62.1350 31.5302 175.1920 122 D 4.9889 8.7770 125.6514 53.0278 39.9176 175.7615 123 D 4.9115 7.7882 118.7101 52.4146 39.9227 175.8176 124 A 3.9370 8.1433 121.3391 54.0834 18.7909 178.5590 125 Q 4.4249 8.2205 119.7946 53.7961 28.5182 175.2455 126 I 3.7904 8.1173 123.7695 61.1382 37.6466 176.1542 127 V 4.3472 8.1505 124.4835 60.7950 34.0131 174.6126 128 V 4.0253 8.3464 126.8120 62.0920 32.2022 175.2607 129 V 4.6223 7.9230 118.9738 59.3337 35.5216 175.5141 130 D 4.5371 8.7319 121.3722 57.1621 40.8995 177.2437 131 S 4.6655 7.4760 110.1211 56.7282 65.9491 173.7712 132 L 4.2043 8.3953 120.4770 55.1815 41.5221 176.8773 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 7 K 8.31 4.29 0.00 1.79 1.72 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 7.45 4.21 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 0.90 0.00 0.00 0.94 0.00 0.00 9 L 9.29 4.53 0.00 1.54 1.42 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.04 4.43 0.00 1.77 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.42 7.81 11 I 8.40 4.92 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.95 0.00 0.00 12 Q 9.57 4.56 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 L 8.52 4.49 0.00 1.57 1.62 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.60 4.33 0.00 1.82 1.96 0.00 3.11 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 15 S 7.84 4.55 0.00 3.94 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 16 A 8.60 4.05 1.30 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 17 S 7.98 4.33 0.00 3.89 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 0.00 18 A 7.43 4.27 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 19 T 8.14 4.41 3.90 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 0.42 0.00 0.00 20 V 8.39 3.60 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 0.80 0.00 0.00 0.92 0.00 0.00 21 P 0.00 5.19 0.00 1.81 2.14 0.00 3.70 0.00 0.00 5.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 22 T 8.69 5.03 4.33 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 1.33 0.00 0.00 23 K 8.74 4.32 0.00 1.58 1.66 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.76 0.69 7.81 24 G 8.74 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 25 S 7.56 4.73 0.00 3.92 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 26 A 8.56 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.10 4.32 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 28 A 7.58 4.20 1.14 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 0.00 0.00 29 A 8.57 4.06 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 30 G 7.35 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 0.00 0.00 0.00 0.00 31 Y 8.68 4.64 0.00 2.95 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 32 D 9.40 4.65 0.00 2.55 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 0.00 0.00 0.00 0.00 33 I 8.21 4.79 1.87 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 1.40 0.97 0.99 0.00 0.00 34 Y 8.68 5.23 0.00 2.84 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 35 A 9.15 4.49 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 36 S 8.91 4.34 0.00 3.92 4.14 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 37 Q 7.76 4.67 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 38 D 8.72 4.73 0.00 2.55 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 39 I 8.47 4.32 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 1.38 0.97 0.91 0.00 0.00 40 T 8.49 4.96 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 1.21 0.00 0.00 41 I 8.69 4.38 2.07 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 1.59 1.09 1.03 0.00 0.00 42 P 0.00 4.85 0.00 2.15 2.21 0.00 3.79 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 2.11 2.01 0.00 43 A 8.79 4.13 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 44 M 8.21 3.64 0.00 2.18 2.15 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 2.54 2.58 0.00 45 G 8.17 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 46 Q 8.87 5.23 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 47 G 8.90 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 0.00 0.00 0.00 0.00 48 M 8.53 5.22 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 49 V 9.07 4.32 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 1.06 0.00 0.00 1.00 0.00 0.00 50 S 8.65 4.96 0.00 3.84 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 51 T 8.71 4.57 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 1.35 0.00 0.00 52 D 9.15 4.45 0.00 2.81 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 53 I 7.70 5.15 2.01 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 1.37 1.33 0.99 0.00 0.00 54 S 8.66 5.02 0.00 3.70 3.55 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 55 F 7.82 5.50 0.00 2.95 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 56 T 8.83 4.65 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 1.30 0.00 0.00 57 V 8.63 4.21 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 0.83 0.00 0.00 1.11 0.00 0.00 58 P 0.00 4.49 0.00 2.09 1.98 0.00 3.61 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 2.12 2.21 0.00 59 V 8.26 3.65 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 0.79 0.00 0.00 0.95 0.00 0.00 60 G 9.70 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 61 T 7.43 5.41 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 62 Y 8.69 4.98 0.00 3.27 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 63 G 8.84 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 0.00 0.00 0.00 0.00 64 R 8.63 5.20 0.00 1.58 1.64 0.00 3.21 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 65 I 8.63 4.73 1.94 0.00 0.00 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 1.32 1.05 0.95 0.00 0.00 66 A 9.13 5.00 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 67 P 0.00 4.64 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 68 R 8.46 4.05 0.00 1.82 1.86 0.00 3.25 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 1.56 0.00 69 S 8.84 4.22 0.00 3.84 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 70 G 7.99 3.61 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 0.00 0.00 0.00 71 L 7.86 3.83 0.00 1.58 1.42 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.65 4.23 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 73 V 7.65 3.51 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 0.85 0.00 0.00 0.94 0.00 0.00 74 K 8.06 4.37 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 75 N 7.85 4.81 0.00 2.17 2.49 0.00 0.00 7.05 7.74 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 76 G 8.11 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 77 I 7.26 4.61 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.11 0.80 0.00 0.00 78 Q 8.85 4.70 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 79 T 8.74 4.55 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 1.21 0.00 0.00 80 G 8.52 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 0.00 0.00 0.00 0.00 81 A 10.03 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.07 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 0.00 0.00 0.00 83 V 7.52 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 0.51 0.00 0.00 0.89 0.00 0.00 84 V 8.98 4.13 2.46 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 0.82 0.00 0.00 1.16 0.00 0.00 85 D 8.64 4.95 0.00 2.84 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 86 R 8.97 4.00 0.00 1.86 2.05 0.00 3.28 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 87 D 8.00 4.71 0.00 2.85 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 88 Y 7.98 4.40 0.00 2.84 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 89 T 7.94 4.13 4.06 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 1.12 0.00 0.00 90 G 5.38 3.48 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 0.00 0.00 0.00 91 E 8.29 3.98 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 2.32 2.30 0.00 92 V 8.53 4.16 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 0.93 0.00 0.00 0.43 0.00 0.00 93 K 8.53 4.59 0.00 1.69 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.47 7.81 94 V 8.60 4.23 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 0.91 0.00 0.00 0.97 0.00 0.00 95 V 8.24 4.25 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 0.26 0.00 0.00 0.85 0.00 0.00 96 L 8.52 5.00 0.00 1.56 1.47 1.02 0.80 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 97 F 9.35 5.41 0.00 3.02 2.77 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 98 N 9.03 5.17 0.00 2.82 2.90 0.00 0.00 7.09 7.41 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 99 H 9.49 4.78 0.00 3.14 3.34 0.00 5.89 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 0.00 100 S 8.61 4.54 0.00 3.90 4.15 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 0.00 101 Q 8.50 4.34 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 102 R 7.89 4.80 0.00 1.68 1.85 0.00 3.24 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 103 D 8.88 4.74 0.00 2.60 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 0.00 104 F 9.43 4.87 0.00 2.98 3.01 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 0.00 105 A 8.26 4.21 1.10 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 0.00 0.00 0.00 106 I 8.33 4.30 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.31 0.89 0.00 0.00 107 K 9.26 4.97 0.00 1.59 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.47 7.81 108 K 8.84 4.02 0.00 1.80 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 109 G 9.60 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 0.00 110 D 8.16 4.70 0.00 2.69 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 0.00 111 R 8.53 4.34 0.00 1.59 1.61 0.00 2.93 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.54 0.00 112 V 8.60 4.52 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 0.76 0.00 0.00 1.02 0.00 0.00 113 A 7.34 4.52 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.84 4.88 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 115 L 9.13 5.03 0.00 1.64 1.56 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.72 4.67 1.79 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 1.18 0.60 0.84 0.00 0.00 117 L 8.52 4.47 0.00 1.53 1.61 0.97 0.83 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 0.00 118 E 8.48 4.15 0.00 1.22 1.81 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 1.94 1.95 0.00 119 K 8.67 4.87 0.00 1.66 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 120 I 8.26 4.69 1.95 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 1.38 0.55 1.24 0.00 0.00 121 V 8.38 4.04 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 0.90 0.00 0.00 0.95 0.00 0.00 122 D 8.78 4.99 0.00 2.81 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 0.00 123 D 7.79 4.91 0.00 2.77 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 0.00 124 A 8.14 3.94 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 0.00 125 Q 8.22 4.42 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 126 I 8.12 3.79 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 1.30 0.46 0.91 0.00 0.00 127 V 8.15 4.35 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 0.80 0.00 0.00 0.98 0.00 0.00 128 V 8.35 4.03 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 0.86 0.00 0.00 0.93 0.00 0.00 129 V 7.92 4.62 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 0.81 0.00 0.00 0.99 0.00 0.00 130 D 8.73 4.54 0.00 2.66 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 0.00 131 S 7.48 4.67 0.00 3.91 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 0.00 132 L 8.40 4.20 0.00 1.66 1.61 0.92 0.83 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