NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.1614 8.4401 121.4655 55.7536 30.8340 176.6166 8 A 4.1081 7.6315 120.5770 51.2575 20.5958 176.7113 9 T 3.9929 8.4110 114.0533 66.4158 69.1806 175.4125 10 K 3.5956 7.7121 120.8866 59.5179 31.9784 178.4738 11 A 4.0286 7.7964 120.4587 54.9517 18.2948 179.4705 12 R 3.8476 7.6116 116.2469 59.5566 30.1664 178.7950 13 I 3.6641 8.2259 120.0719 64.2785 37.1535 177.8812 14 F 3.8700 8.3339 121.4624 61.4415 39.1769 176.8175 15 E 3.9290 8.3981 118.3896 59.3224 29.4093 178.6258 16 A 3.9130 8.2501 120.7707 54.9255 18.3461 179.4425 17 A 3.4486 8.4008 119.6721 55.0047 18.3520 179.8159 18 V 3.3789 7.5024 116.4267 66.1332 31.6952 177.9151 19 A 3.9568 7.7527 120.2027 55.2017 18.2161 179.1830 20 E 3.7888 8.1466 117.7333 59.5615 29.7073 179.1174 21 F 4.3785 8.3078 117.9946 60.3863 38.7061 177.4863 22 A 4.3071 8.4032 120.4409 55.0970 18.2964 179.2285 23 R 4.3704 7.7967 112.3940 58.1932 30.3070 177.5742 24 H 4.4719 8.0364 113.8669 54.9049 29.9314 175.7842 25 G 2.2801 6.8390 109.8460 43.8872 0.0000 173.5002 26 I 3.7898 7.8405 117.6970 64.4128 37.3153 178.6693 27 A 3.9322 7.8612 121.4744 54.9563 18.2976 178.5037 28 G 3.6788 7.7461 101.5141 46.1113 0.0000 173.7278 29 A 4.1360 7.2606 123.1989 51.8256 19.1709 177.6565 30 R 4.5329 9.0929 121.4451 54.1530 32.6592 177.6703 31 I 3.6072 8.2970 125.0417 64.3211 37.1866 178.1365 32 D 4.3120 7.9760 119.3368 57.3237 40.7047 178.5036 33 R 3.8170 7.8602 118.5668 59.5844 30.1152 178.3837 34 I 3.5754 7.6254 119.2704 64.1357 36.9653 178.3275 35 A 3.9405 8.2721 121.6624 55.0277 18.2869 179.3957 36 A 3.9078 8.4139 119.5394 55.6335 18.3070 179.8328 37 E 3.9432 8.3938 115.5138 58.8492 29.5744 178.5195 38 A 4.3530 7.7814 118.2151 50.9726 19.5657 176.8788 39 R 3.7818 7.9575 115.0311 57.0355 28.3322 176.1399 40 A 4.7537 8.0405 118.3050 49.8432 22.5402 176.5779 41 N 4.4815 8.5894 119.6591 53.1884 39.9445 175.6532 42 K 3.8899 8.9055 124.7930 60.1152 32.2053 179.1050 43 Q 4.3081 8.4338 117.5251 59.0091 28.6246 178.6467 44 L 4.0920 7.9245 119.9444 57.7217 41.6057 179.5678 45 I 3.9093 7.6504 119.8860 64.7343 36.9604 178.1169 46 Y 4.2668 7.8819 116.7079 60.6792 37.5317 178.0033 47 A 3.9016 7.9017 121.4781 55.0608 18.5371 178.6787 48 Y 4.2485 7.7914 113.4973 59.3846 38.3414 175.9810 49 Y 4.7437 7.8891 113.7760 56.7269 40.0931 175.6242 50 G 4.3467 9.9308 113.8763 45.5253 0.0000 174.1995 51 N 5.1948 7.6539 115.4483 49.7668 41.2745 174.8788 52 K 4.0724 9.0222 121.5308 60.0036 32.0537 178.7468 53 G 3.6968 8.3331 105.2092 47.8675 0.0000 175.1398 54 E 4.0527 8.9025 121.9527 58.7419 29.5772 178.6243 55 L 3.8421 8.4917 120.9483 58.0345 42.1780 178.7185 56 F 3.3561 8.4429 120.3602 61.1092 39.2879 176.7631 57 A 3.9416 8.2218 120.4086 55.3162 18.0637 179.8872 58 S 4.1459 8.3030 113.6611 61.7461 62.9757 177.0247 59 V 3.5546 7.7666 121.1168 65.8379 30.9671 177.8562 60 L 3.6564 7.4642 119.2208 57.9805 41.9641 177.9789 61 E 3.9797 7.8877 118.1112 59.2233 29.7958 178.5127 62 K 4.1910 8.1045 119.4794 59.2946 32.3056 180.0929 63 K 4.1633 7.7585 116.5919 56.6897 31.8020 178.6862 *65 L 4.2164 7.9233 123.1442 55.3072 44.0464 178.3125 66 D 4.3812 8.2548 118.3328 57.4574 40.7581 178.6798 67 L 2.9142 7.8247 120.3728 57.7197 41.7821 178.6910 68 A 3.9730 7.8140 119.1528 55.3768 18.3972 179.1846 69 I 3.8842 7.7552 117.3751 64.2530 37.3199 178.2340 70 S 4.5307 8.1266 113.8195 59.7367 63.2549 174.4633 71 V 4.4475 8.0209 120.6600 58.9011 31.3174 172.7368 72 P 4.3773 0.0000 0.0000 62.5555 32.1385 176.6660 73 V 2.5332 8.2266 121.6256 62.8440 31.7498 175.0858 74 D 4.6299 7.3271 127.3468 51.3598 41.7533 174.2018 75 P 4.1791 0.0000 0.0000 65.4564 31.4161 177.2395 76 D 4.5919 8.1181 116.2051 55.1287 41.6239 176.3834 77 D 4.8148 7.9538 118.2766 52.0894 42.6821 175.3780 78 I 3.9604 7.9247 125.0768 64.8125 37.6868 177.9901 79 E 4.1435 8.3154 118.9341 59.3031 29.3853 179.4902 80 G 3.7918 8.4909 107.3389 46.7198 0.0000 175.6419 81 W 4.2809 8.7380 131.1487 60.4667 30.6862 178.1318 82 I 3.1741 8.0880 119.8601 64.2427 36.4954 178.0414 83 D 4.3251 8.0203 119.6645 57.6599 40.6783 179.2884 84 R 3.9424 8.0528 118.3821 58.8428 30.0152 178.9246 85 L 3.7026 7.8094 120.3992 58.0930 42.1219 179.0114 86 L 3.9810 8.0145 119.2181 57.8297 41.5199 179.2089 87 D 4.3178 8.1886 118.7931 57.5430 40.7188 178.2375 88 Y 3.8347 8.1046 119.8426 61.1375 38.5931 177.9048 89 H 4.3285 8.0088 115.4650 58.8899 28.8563 177.3691 90 A 4.0906 7.8564 121.4691 54.9362 18.2849 179.0824 91 A 4.1453 7.6198 117.9014 53.4947 19.7165 177.6997 92 H 5.2157 7.8628 113.9387 52.0089 29.2298 172.2072 93 P 4.2381 0.0000 0.0000 63.8759 31.6970 177.5457 94 E 4.0045 7.7718 118.5855 59.4063 29.2778 178.0994 95 L 3.8516 8.0943 119.6320 58.5830 42.0073 178.6777 96 L 3.4590 7.7045 117.6269 57.6632 41.7268 179.4772 97 R 3.5775 7.2677 117.5836 59.4643 29.9621 178.5856 98 L 4.4196 8.2157 119.0353 57.8201 41.5963 179.2438 99 L 4.0621 8.0306 120.5088 58.1035 41.7356 179.1667 100 F 4.5109 7.5759 116.9489 60.4717 38.9442 177.2830 101 W 4.6186 7.9070 117.2028 59.7968 29.1158 177.8385 102 E 4.3225 8.8930 119.4950 59.2137 29.1410 180.1415 103 G 3.8960 8.2121 102.9541 45.3695 0.0000 174.7048 *105 E 4.1238 8.0507 121.8872 55.8761 31.2316 176.3610 106 Y 4.3384 8.6011 115.3515 57.4129 40.0291 178.0034 107 G 4.2234 7.7991 107.8493 47.1618 0.0000 174.3783 108 T 4.4108 8.8682 112.2120 60.8305 69.0175 174.3251 109 A 4.3122 8.1935 125.5989 51.5086 19.1828 177.5297 110 E 4.1616 8.6536 120.5853 56.6712 30.4226 176.7518 111 L 4.2454 9.4539 125.4675 52.7116 43.3322 175.9329 112 P 4.2808 0.0000 0.0000 66.0808 31.7925 178.5147 113 H 5.0220 7.7716 114.5179 54.3872 28.5120 175.8029 114 E 3.9036 8.1546 124.0779 59.7333 29.8948 177.3664 115 A 4.0100 8.0684 119.7273 55.5430 18.4868 179.3591 116 E 3.9691 8.1560 116.3784 59.4071 29.5504 179.4734 117 R 3.8500 8.0924 118.9600 59.2642 30.0782 178.3721 118 Q 4.1221 8.3845 118.2053 59.2123 28.8090 178.7379 119 E 3.9106 8.1155 119.7106 59.3452 29.3983 177.8684 120 H 3.9341 8.0769 118.3208 59.9817 29.8147 176.7658 121 Y 4.1795 7.8629 117.7775 60.8473 37.7144 178.0468 122 A 4.2140 8.3603 122.0577 55.1201 18.4962 180.0375 123 R 3.8556 8.0722 116.6806 59.3083 30.0955 179.2989 124 K 3.9093 7.6826 118.1084 59.3839 32.0784 179.4356 125 V 3.5577 8.3251 118.6690 66.0498 31.3933 177.7156 126 A 3.9762 8.0293 120.1379 55.3611 17.6529 179.4992 127 A 3.9555 7.8706 118.7685 55.0807 18.3936 180.1217 128 V 3.4665 7.4356 116.7197 65.9179 31.6353 178.1957 129 R 3.8386 8.3339 118.2608 59.5727 29.9945 178.0995 130 D 4.4575 8.5025 117.9916 57.7817 41.0261 179.0053 131 G 3.6110 7.6827 104.7510 47.5393 0.0000 175.9119 132 Q 4.3824 7.7766 121.5414 58.6127 28.6538 178.2223 133 E 3.9567 8.3128 118.4690 59.4718 29.6072 178.9573 134 R 4.3153 7.9252 115.0187 55.5774 30.3670 176.9437 135 G 3.9523 8.2995 107.2924 46.4058 0.0000 175.3601 136 V 3.9783 7.9568 120.8315 62.3166 32.2804 176.3754 137 I 4.7074 7.2461 120.6954 59.0376 40.6276 174.5597 138 T 4.0802 8.8769 120.3461 62.8405 67.6119 172.9166 139 D 4.8972 8.3829 122.6679 52.9152 40.0701 176.8013 140 A 4.1250 8.5163 125.2991 54.4819 18.5789 178.6701 141 I 4.5457 7.3368 115.7410 58.4171 40.0378 174.3371 142 P 4.3329 0.0000 0.0000 62.2487 33.0216 176.9939 143 A 3.9560 8.6829 124.0789 55.1994 18.1463 178.2214 144 P 4.2008 0.0000 0.0000 66.1011 31.4237 178.4830 145 D 4.3603 8.0770 116.8882 57.3001 40.8394 178.5612 146 L 3.9752 8.4666 121.1798 58.0593 42.1327 178.8379 147 L 4.0223 8.2201 120.4276 58.0423 41.9944 178.4876 148 F 4.1498 8.5443 120.8120 61.6108 39.1197 177.1645 149 L 4.0173 8.1674 117.1030 57.6946 41.4459 179.2600 150 L 4.2233 7.7343 117.7868 57.8661 41.8734 179.3903 151 V 3.7911 8.0974 118.0050 65.6702 31.4113 178.1687 152 A 4.0510 7.8528 117.1202 53.0579 17.9532 178.7492 *154 A 4.2002 7.8856 124.5180 53.1770 20.5554 178.9677 155 N 4.7759 8.2174 111.5622 53.5560 39.3604 176.9456 156 W 4.4046 8.3095 130.4883 60.7393 30.1899 177.4591 157 A 3.8390 8.1503 119.8680 55.3412 17.4948 179.8013 158 V 3.7612 7.7052 109.9220 64.0472 31.6621 178.6607 159 V 3.3553 7.1739 117.7611 64.2101 31.5392 176.5733 160 V 4.4438 6.0176 111.5168 57.2083 31.6661 174.2402 161 P 4.4974 0.0000 0.0000 65.2436 31.9142 178.7221 162 Q 4.2250 7.3608 115.1258 56.5221 28.2460 177.9971 *164 K 4.1164 8.2186 120.6430 57.3305 34.0978 177.3897 165 R 3.8739 8.0443 118.3165 59.7735 29.6493 178.5340 166 I 3.7434 7.4711 117.8457 64.2196 37.1525 178.3347 167 L 4.1544 7.8133 118.2246 57.4953 41.8380 178.9662 168 V 4.2188 8.2705 110.1477 59.9683 32.4199 176.6304 169 G 3.8846 7.7808 106.0910 45.8588 0.0000 174.0196 170 G 3.9288 8.2151 110.4455 44.7604 0.0000 173.9013 171 G 3.9333 8.3788 108.1308 44.7271 0.0000 174.0887 172 D 4.3859 8.6029 117.1098 57.4282 40.5104 179.3103 173 A 4.0760 7.9980 120.8364 55.0111 18.4501 179.8021 174 G 3.8865 7.8530 105.0055 47.4417 0.0000 175.7685 175 T 3.8740 7.8359 118.8059 66.5863 68.5808 176.5218 176 D 4.5141 8.6022 121.0723 57.0384 40.7716 179.1721 177 G 3.5810 8.0608 106.5058 47.6614 0.0000 175.6634 178 L 4.0087 8.1598 123.0418 57.5531 42.0402 178.9043 179 R 3.8346 7.8885 118.6617 59.5890 30.0722 177.8981 180 D 4.3438 7.9019 117.1427 57.6013 41.1859 178.4909 181 S 4.1589 8.0953 115.5391 61.5183 62.7271 176.6259 182 I 3.7231 8.1825 122.9692 64.4131 36.8852 178.6730 183 K 4.0187 8.0811 119.2108 59.4075 31.9698 179.6309 184 K 3.9983 8.2517 118.5789 59.3528 32.0197 179.3196 185 A 3.9868 8.5756 121.2730 55.0995 18.3309 179.4688 186 A 4.0040 8.3832 119.7177 55.2343 18.4349 179.8817 187 R 3.8370 8.0979 117.1100 59.8152 30.0321 178.9680 188 R 4.0992 7.6901 116.1904 59.3423 30.0500 178.8953 189 I 3.9186 7.5886 118.8137 64.1459 37.4015 178.1911 190 V 4.1285 7.8928 112.4796 61.6580 31.6026 175.7231 191 D 4.5325 8.0444 118.7161 54.5661 41.0313 176.7809 192 R 4.0568 8.6069 123.1846 56.5972 30.0520 175.9600 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 E 8.44 4.16 0.00 1.91 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 2.18 2.37 0.00 8 A 7.63 4.11 1.25 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 0.00 0.00 0.00 9 T 8.41 3.99 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 1.24 0.00 0.00 10 K 7.71 3.60 0.00 0.92 1.51 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.53 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.17 7.81 11 A 7.80 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 12 R 7.61 3.85 0.00 2.15 1.94 0.00 3.37 0.00 0.00 3.17 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 13 I 8.23 3.66 2.19 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 1.46 0.77 0.98 0.00 0.00 14 F 8.33 3.87 0.00 3.34 3.27 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 15 E 8.40 3.93 0.00 2.41 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 2.35 2.40 0.00 16 A 8.25 3.91 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 17 A 8.40 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.50 3.38 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 1.00 0.00 0.00 0.49 0.00 0.00 19 A 7.75 3.96 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 20 E 8.15 3.79 0.00 1.92 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 1.95 2.04 0.00 21 F 8.31 4.38 0.00 3.19 3.12 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 22 A 8.40 4.31 1.48 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 23 R 7.80 4.37 0.00 1.98 2.08 0.00 3.05 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.33 0.00 24 H 8.04 4.47 0.00 3.06 3.20 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 6.84 2.28 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 0.00 26 I 7.84 3.79 1.75 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.26 0.71 0.00 0.00 27 A 7.86 3.93 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 28 G 7.75 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.26 4.14 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 30 R 9.09 4.53 0.00 1.65 1.75 0.00 3.07 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 31 I 8.30 3.61 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.01 0.74 0.00 0.00 32 D 7.98 4.31 0.00 2.73 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 33 R 7.86 3.82 0.00 1.78 1.98 0.00 3.50 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 34 I 7.63 3.58 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.74 0.00 0.00 35 A 8.27 3.94 1.42 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 0.00 0.00 0.00 36 A 8.41 3.91 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 37 E 8.39 3.94 0.00 2.07 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 2.31 2.35 0.00 38 A 7.78 4.35 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 39 R 7.96 3.78 0.00 1.96 2.02 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 40 A 8.04 4.75 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 41 N 8.59 4.48 0.00 2.84 2.74 0.00 0.00 6.76 5.99 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 42 K 8.91 3.89 0.00 1.91 1.90 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.36 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.87 1.65 7.81 43 Q 8.43 4.31 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 44 L 7.92 4.09 0.00 2.05 1.92 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.65 3.91 1.72 0.00 0.00 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 1.54 0.73 0.75 0.00 0.00 46 Y 7.88 4.27 0.00 3.26 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 47 A 7.90 3.90 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 48 Y 7.79 4.25 0.00 2.91 2.41 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 49 Y 7.89 4.74 0.00 3.08 3.01 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.87 3.96 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 0.00 128 V 7.44 3.47 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 0.97 0.00 0.00 0.82 0.00 0.00 129 R 8.33 3.84 0.00 1.99 1.96 0.00 3.36 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 130 D 8.50 4.46 0.00 2.79 2.80 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 0.00 131 G 7.68 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 0.00 132 Q 7.78 4.38 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 133 E 8.31 3.96 0.00 2.02 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 0.00 2.34 2.50 0.00 134 R 7.93 4.32 0.00 1.87 1.95 0.00 3.27 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 135 G 8.30 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 0.00 136 V 7.96 3.98 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 0.77 0.00 0.00 0.96 0.00 0.00 137 I 7.25 4.71 1.84 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 1.27 1.39 0.90 0.00 0.00 138 T 8.88 4.08 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 1.26 0.00 0.00 139 D 8.38 4.90 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 140 A 8.52 4.12 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 0.00 141 I 7.34 4.55 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.93 0.00 0.00 142 P 0.00 4.33 0.00 2.31 1.96 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 143 A 8.68 3.96 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 0.00 144 P 0.00 4.20 0.00 2.13 2.09 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 145 D 8.08 4.36 0.00 2.83 2.73 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 0.00 0.00 0.00 0.00 146 L 8.47 3.98 0.00 1.93 1.86 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.22 4.02 0.00 1.91 1.95 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.54 4.15 0.00 3.23 3.25 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 0.00 149 L 8.17 4.02 0.00 1.73 1.77 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.73 4.22 0.00 2.11 2.09 1.03 1.06 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 0.00 151 V 8.10 3.79 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 1.10 0.00 0.00 1.23 0.00 0.00 152 A 7.85 4.05 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 *154 A 7.89 4.20 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 0.00 155 N 8.22 4.78 0.00 2.81 2.94 0.00 0.00 6.63 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 0.00 156 W 8.31 4.40 0.00 3.47 3.07 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 0.00 157 A 8.15 3.84 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 0.00 158 V 7.71 3.76 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 0.74 0.00 0.00 1.28 0.00 0.00 159 V 7.17 3.36 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 0.19 0.00 0.00 0.30 0.00 0.00 160 V 6.02 4.44 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 0.59 0.00 0.00 -0.15 0.00 0.00 161 P 0.00 4.50 0.00 2.09 2.03 0.00 3.44 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 162 Q 7.36 4.23 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.39 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 *164 K 8.22 4.12 0.00 1.73 1.97 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.35 7.81 165 R 8.04 3.87 0.00 2.06 2.03 0.00 3.30 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 166 I 7.47 3.74 1.86 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 1.51 0.77 0.91 0.00 0.00 167 L 7.81 4.15 0.00 1.63 1.74 0.98 0.88 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 0.00 168 V 8.27 4.22 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 0.85 0.00 0.00 0.99 0.00 0.00 169 G 7.78 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 0.00 170 G 8.22 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 0.00 171 G 8.38 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 0.00 172 D 8.60 4.39 0.00 2.72 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 0.00 173 A 8.00 4.08 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 0.00 174 G 7.85 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 0.00 175 T 7.84 3.87 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 1.20 0.00 0.00 176 D 8.60 4.51 0.00 2.73 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 0.00 177 G 8.06 3.58 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 0.00 0.00 0.00 178 L 8.16 4.01 0.00 1.93 1.68 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.89 3.83 0.00 2.07 2.13 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 180 D 7.90 4.34 0.00 2.85 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 0.00 181 S 8.10 4.16 0.00 4.09 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 0.00 182 I 8.18 3.72 2.05 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 1.54 0.98 0.91 0.00 0.00 183 K 8.08 4.02 0.00 1.97 2.03 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 184 K 8.25 4.00 0.00 1.97 1.87 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.58 7.81 185 A 8.58 3.99 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 0.00 186 A 8.38 4.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 187 R 8.10 3.84 0.00 2.03 2.12 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 188 R 7.69 4.10 0.00 2.01 2.00 0.00 3.23 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 189 I 7.59 3.92 2.06 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 1.54 0.64 0.94 0.00 0.00 190 V 7.89 4.13 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 0.97 0.00 0.00 1.08 0.00 0.00 191 D 8.04 4.53 0.00 2.68 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 0.00 192 R 8.61 4.06 0.00 1.77 1.81 0.00 3.26 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.