NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8671 8.3093 115.8516 56.8079 40.1993 175.7437 11 H 4.3336 6.6979 116.1234 56.1272 29.4089 173.8712 12 E 3.9125 8.2539 120.7950 58.6301 30.4552 178.1153 13 M 4.5512 7.8018 115.5589 55.2636 31.9964 176.7847 14 R 4.5098 7.5445 117.7744 55.7823 32.4355 175.6813 15 E 3.9699 8.3192 117.6280 55.3121 29.7872 174.9859 16 P 4.2240 0.0000 0.0000 63.2350 32.3240 174.2603 17 R 4.2018 7.1873 114.0262 56.2507 33.3277 172.7955 18 I 4.7063 8.3687 119.6880 60.2209 38.7173 175.5638 19 E 4.2646 9.3573 129.8995 58.5933 30.1338 176.7630 20 K 4.7925 7.6355 116.0775 55.7751 36.1176 174.4809 21 V 4.6526 8.9414 122.7698 61.3537 34.1233 174.5324 22 V 4.5623 8.5259 129.6114 61.4732 33.0141 174.6375 23 V 4.6086 8.1579 122.4076 60.5100 33.4580 174.9755 24 H 5.0853 8.8180 122.8675 55.3890 34.2868 172.2346 25 M 4.4732 8.6474 124.6627 53.4893 34.0149 175.6720 26 G 3.6079 8.3745 112.6948 47.0527 0.0000 171.9388 27 I 3.6864 9.3480 130.2333 59.6709 36.7266 175.5317 28 G 3.6509 5.3800 120.3296 45.2373 0.0000 173.2571 29 H 5.4202 7.5567 124.3620 55.8453 31.2071 174.5377 *35 A 4.3119 7.8110 124.4197 52.1467 18.8299 179.2975 36 N 4.2657 9.5711 121.4889 55.0644 38.0264 176.6082 37 A 4.1869 7.8882 120.6694 53.3793 19.2473 178.7518 38 E 4.0153 8.5072 116.8719 59.6378 28.1783 178.7623 39 D 4.4223 8.2496 118.4048 57.7305 40.8348 179.3710 40 I 4.2823 7.3418 113.0747 63.5522 37.7862 178.2656 41 L 4.0861 7.9604 120.5102 57.3063 41.2048 179.1720 42 G 3.7656 8.2174 104.7120 46.4309 0.0000 174.8432 43 E 4.2705 7.3998 120.5102 58.2915 30.4417 177.8971 44 I 3.9566 7.9561 117.0052 62.8238 38.0978 176.7186 45 T 4.4075 7.4529 108.5207 64.6802 70.0874 175.2258 46 G 4.0554 7.1431 107.4540 44.7222 0.0000 173.3740 47 Q 4.6171 7.5227 116.5149 53.8097 31.7665 174.9294 48 M 3.9910 8.5528 118.4614 55.6263 32.3837 174.6446 49 P 4.8655 0.0000 0.0000 61.7543 33.9969 174.6319 50 V 4.4988 8.4476 119.0013 60.7279 34.5954 175.1933 51 R 4.5337 8.7295 125.5532 56.8437 31.2357 175.9316 52 T 4.5840 8.6669 117.7575 61.9205 71.3879 174.2354 53 K 4.9749 8.9671 125.2346 54.5615 34.4298 174.7599 54 A 4.9113 7.9527 121.9240 50.2477 22.2913 175.1994 55 K 4.5977 7.9484 116.3350 55.6260 36.4228 173.4201 56 R 3.9124 8.7595 127.4745 55.6304 30.2023 176.8287 57 T 4.1211 8.3189 117.9215 63.5083 69.4373 174.1344 58 V 4.4192 8.7712 124.3306 60.7672 34.4326 176.1484 59 G 3.8888 9.2544 117.0899 48.8900 0.0000 174.1600 60 E 4.0562 8.2986 119.1482 58.8548 27.4421 177.3470 61 F 4.1241 7.8118 129.8923 60.2215 38.3268 176.1524 62 D 4.7282 8.3867 127.8894 53.0433 41.7158 175.3344 63 I 4.1020 7.5635 111.3245 61.0449 39.0175 176.4427 64 R 4.1319 7.6586 122.2726 55.0736 29.1736 174.8486 65 E 3.7541 8.2151 128.1553 58.4140 30.1901 175.7399 66 G 4.1444 7.6966 111.3163 45.9212 0.0000 171.8919 67 D 4.6389 8.5059 124.3310 51.7246 41.8220 173.9863 68 P 4.4486 0.0000 0.0000 64.0881 31.6770 176.1827 69 I 4.6092 8.6463 120.5336 61.5331 42.9972 174.3936 70 G 4.4539 7.7673 107.1897 46.7058 0.0000 171.7980 71 A 5.8755 7.9599 117.8813 51.8819 22.9565 176.0487 72 K 5.0983 8.4279 118.5925 55.3593 37.1523 175.2761 73 V 4.5600 9.0495 120.7917 61.4588 34.6279 174.0321 74 T 4.7799 8.5548 118.8188 60.4806 70.1070 173.9249 75 L 4.7734 8.9623 127.0649 52.9374 44.2362 175.8860 76 R 4.7541 7.9506 120.4301 55.1267 34.0495 176.6373 77 D 4.3107 8.8392 120.0222 55.3207 38.9963 175.7986 78 E 3.9621 9.0580 121.5964 61.3503 28.0040 178.6977 79 M 4.0604 8.3047 117.4609 58.5514 31.8448 178.7972 80 A 4.0090 8.0768 120.6036 55.3209 18.7502 179.5975 81 E 3.9882 8.1197 116.5897 59.5305 29.4956 178.9483 82 E 4.1471 8.7604 116.8201 57.9114 29.6580 178.0951 83 F 4.5792 7.4950 119.0897 60.3661 40.1812 177.5593 84 L 4.0085 8.1904 118.6096 57.7952 41.1491 179.2940 85 Q 3.9848 8.2676 118.0598 58.4069 28.7158 178.2287 86 T 4.3618 7.5505 106.4901 61.5071 69.7339 174.8545 87 A 4.3499 7.1711 123.5441 53.9478 20.4162 178.8360 88 L 3.5274 8.0989 117.7507 57.5230 41.5067 178.0420 89 P 4.3606 0.0000 0.0000 64.7137 31.1826 176.6958 90 L 4.5065 7.4383 116.6659 54.3117 41.5710 175.9841 91 A 4.7787 7.7650 120.3735 50.8773 22.2220 177.1588 92 E 4.5719 8.2472 119.2739 53.7399 29.3950 176.1146 93 L 4.1382 7.8084 120.9616 54.8488 42.5086 176.3536 94 A 4.9407 8.2396 122.4275 50.7251 22.5964 177.5381 95 T 3.8755 8.6638 116.3481 66.8147 68.8838 176.5112 96 S 4.3251 8.2537 115.6185 61.5871 61.7431 176.0932 97 Q 4.3672 8.1656 114.8967 56.6086 28.0530 175.5543 98 F 5.0395 8.1226 116.9402 55.5145 41.5701 175.7522 99 D 4.7499 9.4401 123.4265 54.1716 42.5678 175.3144 100 D 4.9074 8.6485 116.5925 54.7668 41.8602 176.9288 101 T 4.4138 7.6481 114.4393 62.9632 69.9065 175.0665 102 G 4.2986 8.5946 109.9013 45.8252 0.0000 172.9414 103 N 5.2438 8.3438 115.5245 51.0718 41.8606 173.5282 104 F 4.9321 7.9262 113.3959 55.5452 41.9381 173.3179 105 S 4.8996 8.4791 113.8718 56.7101 65.8278 172.5471 106 F 5.0346 8.7743 122.2026 56.1918 40.6266 174.9735 107 G 3.8452 8.7170 104.6548 43.7252 0.0000 172.7532 *128 L 3.9938 8.1744 123.8170 55.2144 42.9607 177.1981 129 D 4.8016 8.8741 126.8974 53.1015 43.5382 176.3936 130 V 4.1583 7.9356 120.3716 61.7173 34.3893 173.9758 131 T 4.6379 8.4312 125.0822 60.8739 70.7644 174.0712 132 V 4.4311 7.9545 124.9994 61.0540 34.3967 173.6782 133 N 4.8612 9.2188 128.1837 52.2847 39.9854 173.4361 134 L 5.3553 8.4485 126.1996 52.7532 44.0251 176.0772 135 V 4.1938 7.5752 119.3788 61.0707 34.3894 172.3507 136 R 3.8454 8.6875 120.0837 56.7352 31.0318 175.8722 137 P 3.2892 0.0000 0.0000 65.0566 32.2085 178.4085 138 G 4.0270 8.7537 112.5263 46.7178 0.0000 173.1287 139 Y 4.3910 7.7477 120.6444 59.4959 40.1636 176.8805 140 R 3.7924 8.2536 120.0287 59.4353 30.2360 178.0464 141 V 2.9703 7.8709 116.6776 65.1549 31.3432 176.4415 142 A 4.7155 7.5788 118.8431 50.9414 19.5604 176.6644 143 K 4.3597 8.4273 114.9190 55.6689 33.6792 176.6560 144 R 4.3358 7.5523 115.3238 55.3133 30.8631 176.3284 145 D 4.4680 8.5110 118.0098 56.7984 41.3352 177.7963 146 K 4.1194 7.9268 117.6936 57.0282 32.9854 176.7479 147 A 3.6842 8.5334 123.2950 52.4493 16.2370 177.0757 148 S 4.4908 7.2485 115.0415 60.6383 63.9396 173.4314 149 R 4.6107 9.2625 120.0920 55.1373 33.6317 174.0947 150 S 4.3553 8.5461 118.8284 58.0999 63.5200 173.5018 151 I 4.0952 8.1795 126.2793 59.8432 37.8539 174.4858 152 P 4.4362 0.0000 0.0000 62.6186 32.1862 177.3533 153 T 3.9386 8.6701 111.9732 65.2714 68.1103 176.7140 154 K 4.0281 8.0636 119.8363 59.0264 32.2285 177.6542 155 H 4.5699 8.0096 116.0004 55.7116 30.4504 175.3680 156 R 4.1397 7.2412 119.9067 56.1421 30.5575 176.4013 157 L 4.1573 8.3543 123.9397 55.1449 43.0724 176.0713 158 N 5.1663 8.2435 119.5071 50.3968 42.9850 174.1014 159 P 4.3175 0.0000 0.0000 65.8813 31.5229 178.9668 160 A 3.8957 7.8800 118.8812 55.3689 18.3093 179.3371 161 D 4.3882 8.1106 116.4371 56.8506 40.8693 178.8033 162 A 4.1656 8.3943 122.1232 55.1276 18.7160 179.4399 163 V 3.1926 7.9415 116.9163 66.5855 31.4060 177.4145 164 A 3.9221 7.9851 119.9210 54.9379 17.8902 178.9138 165 F 4.0704 8.0799 118.7587 61.8764 39.7994 177.7293 166 I 3.5797 8.0348 118.8884 64.3327 36.7644 177.8353 167 E 4.1897 8.3632 121.6258 58.5752 29.3442 178.0407 168 S 4.6716 8.0809 111.6890 57.6324 63.8977 174.9276 169 T 4.5231 8.0777 115.6152 63.3638 71.2711 172.6096 170 Y 3.2913 8.0409 127.4125 57.1292 34.6612 168.2934 171 D 4.4008 6.5775 117.6928 53.6756 41.8606 174.8157 172 V 4.5656 7.6952 118.6611 61.1922 35.3562 175.7461 173 E 4.6137 8.1114 122.2158 55.8473 27.9886 176.2905 174 V 3.6985 8.2119 117.4863 62.5914 31.5748 175.0806 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 10 F 8.31 4.87 0.00 3.16 3.32 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 11 H 6.70 4.33 0.00 3.25 2.93 0.00 5.46 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 12 E 8.25 3.91 0.00 1.63 1.83 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 2.21 2.20 0.00 13 M 7.80 4.55 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 14 R 7.54 4.51 0.00 2.00 1.94 0.00 3.36 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 15 E 8.32 3.97 0.00 2.17 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 0.00 2.45 2.25 0.00 16 P 0.00 4.22 0.00 0.82 1.64 0.00 3.61 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 1.93 1.96 0.00 17 R 7.19 4.20 0.00 1.78 1.90 0.00 2.70 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 18 I 8.37 4.71 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.93 0.95 0.00 0.00 19 E 9.36 4.26 0.00 1.79 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 2.31 2.28 0.00 20 K 7.64 4.79 0.00 1.79 1.82 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.36 7.81 21 V 8.94 4.65 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 0.98 0.00 0.00 0.99 0.00 0.00 22 V 8.53 4.56 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 0.82 0.00 0.00 0.85 0.00 0.00 23 V 8.16 4.61 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 0.00 0.00 0.75 0.00 0.00 24 H 8.82 5.09 0.00 3.18 2.98 0.00 5.53 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 25 M 8.65 4.47 0.00 1.90 1.86 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 2.44 2.39 0.00 26 G 8.37 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 27 I 9.35 3.69 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.68 0.00 0.00 28 G 5.38 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 0.00 0.00 0.00 29 H 7.56 5.42 0.00 3.22 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.81 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.57 4.27 0.00 2.84 2.98 0.00 0.00 5.91 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 37 A 7.89 4.19 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 38 E 8.51 4.02 0.00 2.00 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 2.31 2.62 0.00 39 D 8.25 4.42 0.00 2.67 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 40 I 7.34 4.28 1.88 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 1.74 1.42 0.91 0.00 0.00 41 L 7.96 4.09 0.00 1.85 1.70 0.86 0.88 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 42 G 8.22 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 0.00 0.00 0.00 43 E 7.40 4.27 0.00 2.32 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 2.25 2.52 0.00 44 I 7.96 3.96 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.89 1.06 0.00 0.00 45 T 7.45 4.41 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 0.92 0.00 0.00 46 G 7.14 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 0.00 0.00 0.00 0.00 47 Q 7.52 4.62 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 48 M 8.55 3.99 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 49 P 0.00 4.87 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 50 V 8.45 4.50 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 1.00 0.00 0.00 0.95 0.00 0.00 51 R 8.73 4.53 0.00 1.72 1.83 0.00 3.34 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.67 4.58 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 1.21 0.00 0.00 53 K 8.97 4.97 0.00 1.62 1.73 0.00 1.72 0.00 0.00 2.35 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.26 7.81 54 A 7.95 4.91 1.22 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 0.00 0.00 55 K 7.95 4.60 0.00 1.58 1.65 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.44 7.81 56 R 8.76 3.91 0.00 1.97 1.95 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.32 4.12 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 1.24 0.00 0.00 58 V 8.77 4.42 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 1.03 0.00 0.00 1.01 0.00 0.00 59 G 9.25 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 0.00 0.00 0.00 60 E 8.30 4.06 0.00 2.14 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 0.00 2.32 2.35 0.00 61 F 7.81 4.12 0.00 3.00 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 62 D 8.39 4.73 0.00 2.91 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.56 4.10 1.92 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 1.44 0.81 1.01 0.00 0.00 64 R 7.66 4.13 0.00 1.74 2.05 0.00 3.20 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 65 E 8.22 3.75 0.00 2.04 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 2.37 2.31 0.00 66 G 7.70 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 0.00 0.00 0.00 67 D 8.51 4.64 0.00 2.66 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 68 P 0.00 4.45 0.00 1.93 2.05 0.00 3.64 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 2.02 2.13 0.00 69 I 8.65 4.61 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.11 0.88 0.00 0.00 70 G 7.77 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 5.88 1.22 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 0.00 0.00 72 K 8.43 5.10 0.00 1.83 1.86 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 73 V 9.05 4.56 1.91 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 0.98 0.00 0.00 0.84 0.00 0.00 74 T 8.55 4.78 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 1.15 0.00 0.00 75 L 8.96 4.77 0.00 1.46 1.61 0.58 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.95 4.75 0.00 1.62 1.77 0.00 3.32 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 77 D 8.84 4.31 0.00 2.88 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 78 E 9.06 3.96 0.00 2.02 2.04 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 2.42 2.44 0.00 79 M 8.30 4.06 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 80 A 8.08 4.01 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 81 E 8.12 3.99 0.00 2.04 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 2.45 2.45 0.00 82 E 8.76 4.15 0.00 1.97 2.04 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 2.35 2.48 0.00 83 F 7.49 4.58 0.00 3.21 3.30 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 84 L 8.19 4.01 0.00 1.79 1.77 1.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.27 3.98 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.50 0.00 86 T 7.55 4.36 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 1.17 0.00 0.00 87 A 7.17 4.35 0.75 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 0.00 0.00 88 L 8.10 3.53 0.00 1.66 1.61 0.96 1.11 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 89 P 0.00 4.36 0.00 1.98 2.11 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 90 L 7.44 4.51 0.00 1.81 1.71 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.77 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.25 4.57 0.00 1.94 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 0.00 2.18 2.28 0.00 93 L 7.81 4.14 0.00 1.60 1.67 0.59 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.24 4.94 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 95 T 8.66 3.88 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 1.17 0.00 0.00 96 S 8.25 4.33 0.00 4.06 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 0.00 97 Q 8.17 4.37 0.00 2.53 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 98 F 8.12 5.04 0.00 3.22 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 99 D 9.44 4.75 0.00 2.78 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 0.00 100 D 8.65 4.91 0.00 2.70 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 0.00 101 T 7.65 4.41 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 1.24 0.00 0.00 102 G 8.59 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 0.00 103 N 8.34 5.24 0.00 2.77 2.65 0.00 0.00 6.51 8.13 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 0.00 104 F 7.93 4.93 0.00 2.44 1.61 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 0.00 105 S 8.48 4.90 0.00 3.69 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 0.00 106 F 8.77 5.03 0.00 3.22 3.18 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 0.00 107 G 8.72 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 *128 L 8.17 3.99 0.00 1.68 1.65 0.95 1.13 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 0.00 129 D 8.87 4.80 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.94 4.16 0.77 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 0.84 0.00 0.00 0.83 0.00 0.00 131 T 8.43 4.64 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 1.05 0.00 0.00 132 V 7.95 4.43 1.03 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 1.00 0.00 0.00 0.68 0.00 0.00 133 N 9.22 4.86 0.00 2.71 2.64 0.00 0.00 6.65 6.48 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 0.00 134 L 8.45 5.36 0.00 1.75 1.51 1.35 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.58 4.19 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 0.41 0.00 0.00 0.55 0.00 0.00 136 R 8.69 3.85 0.00 1.59 1.75 0.00 3.16 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 137 P 0.00 3.29 0.00 2.09 1.83 0.00 3.75 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 2.00 2.12 0.00 138 G 8.75 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 0.00 139 Y 7.75 4.39 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 0.00 140 R 8.25 3.79 0.00 1.89 1.93 0.00 3.26 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 141 V 7.87 2.97 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 0.93 0.00 0.00 0.91 0.00 0.00 142 A 7.58 4.72 1.02 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 0.00 143 K 8.43 4.36 0.00 1.54 1.75 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.75 1.40 7.81 144 R 7.55 4.34 0.00 1.89 1.90 0.00 3.04 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 145 D 8.51 4.47 0.00 2.67 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 0.00 146 K 7.93 4.12 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.42 7.81 147 A 8.53 3.68 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 0.00 148 S 7.25 4.49 0.00 3.80 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 0.00 149 R 9.26 4.61 0.00 1.80 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 150 S 8.55 4.36 0.00 3.91 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 0.00 151 I 8.18 4.10 1.97 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 1.41 1.14 1.04 0.00 0.00 152 P 0.00 4.44 0.00 2.20 1.99 0.00 3.63 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 153 T 8.67 3.94 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 0.00 154 K 8.06 4.03 0.00 1.77 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.01 4.57 0.00 3.14 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.24 4.14 0.00 2.13 1.88 0.00 3.44 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 157 L 8.35 4.16 0.00 1.54 1.79 0.88 0.95 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 0.00 158 N 8.24 5.17 0.00 2.96 2.68 0.00 0.00 6.89 8.03 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 0.00 159 P 0.00 4.32 0.00 2.15 2.16 0.00 3.62 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 2.16 2.36 0.00 160 A 7.88 3.90 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 0.00 161 D 8.11 4.39 0.00 2.94 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 0.00 162 A 8.39 4.17 1.65 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 0.00 163 V 7.94 3.19 1.83 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 0.76 0.00 0.00 0.06 0.00 0.00 164 A 7.99 3.92 1.44 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 0.00 165 F 8.08 4.07 0.00 2.96 3.39 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 0.00 166 I 8.03 3.58 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 0.82 0.00 0.00 167 E 8.36 4.19 0.00 1.88 2.18 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 2.27 2.28 0.00 168 S 8.08 4.67 0.00 3.87 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 0.00 169 T 8.08 4.52 4.17 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 1.25 0.00 0.00 170 Y 8.04 3.29 0.00 3.00 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 0.00 171 D 6.58 4.40 0.00 2.93 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 0.00 172 V 7.70 4.57 2.04 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 0.90 0.00 0.00 0.89 0.00 0.00 173 E 8.11 4.61 0.00 1.99 1.45 0.00 0.00 0.00 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 2.22 0.00 174 V 8.21 3.70 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 0.76 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.