NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1339 7.9127 117.9098 60.1637 34.5477 176.6435 3 E 4.0470 7.9648 118.4950 57.3131 30.5420 176.0458 4 R 3.9846 8.0636 118.1965 58.7363 30.4170 177.6953 5 L 3.9956 7.8050 120.0702 58.1568 42.3654 178.5703 6 L 4.0440 7.5150 118.3937 57.4606 41.4155 179.5128 7 E 3.9886 8.2506 119.0275 59.3043 29.4789 178.7322 8 I 3.6876 7.7298 119.8847 64.9567 37.1902 178.3452 9 I 3.8407 8.1632 120.3600 64.4894 36.9358 178.2261 10 E 3.9633 8.3163 120.1655 59.2978 29.4617 179.0576 11 R 3.9847 8.4659 118.6599 59.2531 30.0823 179.2784 12 S 4.2006 8.2408 115.0834 61.5390 62.6463 176.4376 13 L 4.0298 7.9437 120.6921 58.1310 41.4618 179.6546 14 R 4.1198 8.0722 116.6627 58.4876 30.0937 177.7587 15 K 4.3560 7.9351 115.6192 57.1212 34.9028 175.9155 16 C 4.4010 8.2406 120.3206 58.0349 31.0484 172.2668 17 P 4.4241 0.0000 0.0000 65.0480 31.2408 178.0003 18 W 4.2533 8.2121 128.4882 60.4534 30.8387 177.5597 19 L 3.7695 8.2536 119.9028 57.9837 41.3554 178.0121 20 E 3.8752 7.8698 118.2313 59.2066 29.5733 177.9621 21 K 4.0969 7.5480 115.5991 57.3397 32.6505 176.9819 22 Q 3.9895 7.2280 119.0859 54.9797 29.6241 176.1777 23 S 4.6949 7.9985 116.7834 56.8498 66.7082 175.2116 24 I 3.7535 8.1197 121.4500 63.9386 37.7536 177.6873 25 E 3.9180 8.1377 119.2168 59.8038 29.3109 179.1716 26 T 3.8626 7.8628 115.5939 66.7514 68.5905 176.6936 27 L 4.0194 7.9072 120.7966 57.3884 41.5455 179.3465 28 L 3.9655 8.4744 119.4899 57.8153 41.5655 179.1205 29 E 3.8875 8.1544 118.7984 59.3302 29.5915 178.5613 30 A 4.0315 8.2316 120.9728 55.0750 18.2275 179.5206 31 L 3.8442 7.8412 118.2346 58.2216 42.0622 178.5612 32 A 3.9961 7.9406 119.6841 55.7821 18.6448 179.5470 33 S 4.2390 8.2826 113.2455 61.7692 62.7777 176.8600 34 E 4.0270 8.2474 121.4027 59.3933 29.1830 179.1754 35 I 3.6779 8.1491 120.2544 64.6732 37.0375 178.2476 36 E 4.0249 8.0723 119.0376 59.2773 29.2938 179.1118 37 E 3.9988 7.9925 118.3096 58.9211 29.6202 179.3587 38 V 3.5441 8.0264 118.5710 65.9753 31.6881 177.8535 39 A 4.0044 8.1028 120.5839 55.1102 17.7200 179.1980 40 E 3.8429 8.4510 117.6230 59.5357 29.7937 179.0528 41 A 4.0955 8.0901 120.5960 54.7296 18.2941 179.8749 42 V 3.4875 7.9710 117.1184 66.3641 31.4685 178.2092 43 K 3.9754 7.5725 116.7737 59.0475 31.9438 178.2000 44 K 4.3872 7.2155 113.8561 55.2596 33.2015 176.4587 45 N 3.9429 7.8807 115.7444 53.9835 36.5263 176.1715 46 D 4.6395 7.9336 120.3659 52.8053 41.5331 175.4193 47 L 3.9225 8.2012 126.9440 57.6323 41.8157 178.7673 48 A 3.9869 8.0356 120.2102 55.5046 18.1694 179.0965 49 N 4.2856 8.4617 115.3460 56.4738 38.9759 176.9094 50 L 3.9179 8.1062 122.1677 58.1433 42.0677 178.5500 51 E 3.9647 8.3403 119.2675 59.3734 29.4850 178.0618 52 E 3.9233 7.9180 119.5560 59.3514 29.5206 178.5442 53 E 4.0051 8.4222 118.8274 59.3465 29.6794 179.1804 54 I 3.9520 8.2529 119.5382 64.4435 37.5650 177.9933 55 G 4.0316 7.7801 106.1431 48.1524 0.0000 175.7093 56 D 4.4062 7.8809 118.8733 55.0291 41.1885 178.5907 *58 I 4.0884 7.6548 121.9393 61.7348 39.3482 177.2723 59 Y 4.2702 8.2178 120.4913 60.9689 38.5696 177.9110 60 D 3.9659 8.5479 119.6949 57.2465 40.9716 178.3537 61 A 3.9620 8.1133 120.7769 55.6973 18.1827 179.6068 62 L 4.0656 8.0341 116.8313 57.6023 41.7038 179.6632 63 L 4.0170 8.2051 119.6304 57.4004 41.3934 179.5885 64 V 3.5616 7.8176 118.3849 65.7149 31.4611 177.8931 65 A 3.9439 7.9225 120.2949 55.1496 18.2822 179.1979 66 A 3.9552 8.2782 119.6917 55.6828 18.4318 180.0977 67 V 3.6138 8.0509 116.0184 65.5407 31.4910 177.8982 68 A 4.1755 8.2349 121.1021 55.2932 18.2088 179.4474 69 Q 4.2581 8.2105 119.1645 58.7814 28.9837 178.2998 70 R 3.8268 7.8417 118.3778 59.4488 30.2642 177.4935 71 D 4.4374 8.5349 116.7924 55.3240 41.5200 176.9649 72 Y 4.3762 7.7084 113.1008 57.1852 38.8124 176.4467 73 G 3.9384 8.1677 107.7049 45.5937 0.0000 174.0258 74 I 3.9016 7.8172 122.1823 60.7359 37.8761 174.6114 75 D 4.6429 8.5936 124.7797 53.2421 42.1336 176.5949 76 L 3.9821 8.5440 128.9473 58.2849 42.1561 178.5623 77 E 3.9593 8.1553 118.0083 59.7245 29.4111 179.4519 78 S 4.1109 8.5751 114.7997 61.3162 62.5969 176.7072 79 A 3.9787 8.0251 123.7334 55.2405 18.0868 179.8026 80 I 3.6973 8.0034 118.5418 64.4195 37.1139 178.4994 81 Q 3.9614 8.3585 120.7216 58.9868 28.8979 178.1194 82 K 3.8777 8.3333 120.1319 59.4962 32.1181 179.4358 83 V 3.7379 7.4259 118.9235 64.3396 31.6912 178.3426 84 V 3.6025 8.0891 119.3944 66.0870 31.2138 177.9332 85 E 3.9158 8.3491 118.0550 59.0260 29.1976 179.2959 86 K 3.9047 8.1162 119.6772 59.6710 32.2972 179.0156 87 I 3.7303 7.8183 120.0240 64.4792 36.7803 178.6184 88 S 4.2446 8.0751 115.1636 61.8268 62.6972 176.0084 89 H 4.2603 8.3043 120.2847 59.4274 29.7515 177.3688 90 R 3.9470 8.1850 118.8332 57.4869 31.4625 177.0608 91 K 2.6172 7.8397 117.6640 53.3356 32.3554 175.3378 92 P 4.1562 0.0000 0.0000 64.8960 32.2289 179.2412 93 W 3.3135 6.9749 115.5970 58.1744 27.9498 177.7322 94 L 3.8380 6.8533 118.6508 56.6411 41.0240 177.6838 95 F 4.7791 7.6788 115.9776 56.6989 39.3552 174.8686 96 W 5.2096 7.6091 120.3852 54.8089 30.9532 175.8822 97 E 4.1474 9.1970 123.8791 59.3520 29.2707 177.1003 98 E 4.4660 7.9535 116.3810 55.2026 30.6868 176.5269 99 K 4.4548 8.3667 121.4269 56.1646 33.0662 176.1997 100 I 4.7898 7.6887 112.6575 58.2536 40.8364 175.7363 101 S 4.3429 8.7892 116.9755 57.5816 65.1188 174.9138 102 L 3.7190 8.2976 123.8189 58.5304 41.6870 178.9151 103 E 3.8726 7.9424 118.4914 59.0553 29.6452 178.4355 104 E 3.8567 8.0660 118.4308 59.4344 29.5317 179.0734 105 A 2.8402 7.9129 120.9999 54.9251 18.1781 179.5811 106 E 4.0282 8.1310 116.9897 59.2987 29.4085 179.6271 107 K 4.0809 8.0396 118.6435 59.4554 32.0109 179.4966 108 I 3.8836 7.9133 120.1133 64.2005 37.0642 178.1984 109 W 4.3993 8.8123 129.4749 60.4098 30.3812 177.6542 110 K 3.9383 8.2857 118.4892 59.9285 31.8128 178.3110 111 E 4.1220 7.9735 118.7382 59.3744 29.3820 179.5364 112 R 3.9195 8.1597 118.3494 58.8055 29.8130 179.0596 113 K 3.5991 7.5847 117.9730 59.1215 31.9364 178.5196 114 K 3.9470 7.6519 120.3131 59.5141 32.3065 177.6982 115 K 4.1673 7.8194 124.3781 54.6771 31.5959 180.7749 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 2 V 7.91 4.13 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 0.72 0.00 0.00 0.93 0.00 0.00 3 E 7.96 4.05 0.00 2.10 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 2.30 2.43 0.00 4 R 8.06 3.98 0.00 1.91 1.91 0.00 3.22 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 5 L 7.81 4.00 0.00 1.81 1.66 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.52 4.04 0.00 1.58 1.73 0.99 0.94 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 7 E 8.25 3.99 0.00 2.23 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 2.34 2.53 0.00 8 I 7.73 3.69 2.11 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 1.70 0.98 0.92 0.00 0.00 9 I 8.16 3.84 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.97 0.00 0.00 10 E 8.32 3.96 0.00 2.12 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 0.00 2.32 2.41 0.00 11 R 8.47 3.98 0.00 2.08 1.99 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 12 S 8.24 4.20 0.00 4.14 4.04 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 13 L 7.94 4.03 0.00 1.77 1.76 0.94 1.04 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 14 R 8.07 4.12 0.00 1.95 2.01 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 15 K 7.94 4.36 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.46 7.81 16 C 8.24 4.40 0.00 3.08 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 17 P 0.00 4.42 0.00 2.32 2.21 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 18 W 8.21 4.25 0.00 3.41 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 19 L 8.25 3.77 0.00 2.09 1.91 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.87 3.88 0.00 2.03 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 0.00 2.30 2.50 0.00 21 K 7.55 4.10 0.00 1.76 1.68 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.35 7.81 22 Q 7.23 3.99 0.00 1.70 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 23 S 8.00 4.69 0.00 4.16 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 24 I 8.12 3.75 1.98 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 1.62 1.32 0.98 0.00 0.00 25 E 8.14 3.92 0.00 2.08 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 0.00 2.40 2.45 0.00 26 T 7.86 3.86 4.36 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 1.18 0.00 0.00 27 L 7.91 4.02 0.00 1.82 1.68 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.47 3.97 0.00 1.82 1.71 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.15 3.89 0.00 2.24 2.17 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 2.31 2.39 0.00 30 A 8.23 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.84 0.00 1.81 1.91 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.00 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 33 S 8.28 4.24 0.00 3.91 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 34 E 8.25 4.03 0.00 2.11 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 2.62 2.60 0.00 35 I 8.15 3.68 2.11 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 1.53 0.80 0.92 0.00 0.00 36 E 8.07 4.02 0.00 2.22 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 2.52 2.50 0.00 37 E 7.99 4.00 0.00 2.19 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 0.00 2.41 2.53 0.00 38 V 8.03 3.54 2.22 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 1.01 0.00 0.00 1.00 0.00 0.00 39 A 8.10 4.00 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 40 E 8.45 3.84 0.00 2.09 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 0.00 2.31 2.37 0.00 41 A 8.09 4.10 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 42 V 7.97 3.49 2.24 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 1.02 0.00 0.00 0.98 0.00 0.00 43 K 7.57 3.98 0.00 1.99 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.53 7.81 44 K 7.22 4.39 0.00 1.74 1.79 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 45 N 7.88 3.94 0.00 2.79 2.95 0.00 0.00 6.75 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 46 D 7.93 4.64 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.92 0.00 1.72 1.69 0.92 0.70 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 48 A 8.04 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 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.46 4.29 0.00 3.03 2.94 0.00 0.00 6.89 6.80 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 50 L 8.11 3.92 0.00 1.91 1.81 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.34 3.96 0.00 2.19 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 2.30 2.32 0.00 52 E 7.92 3.92 0.00 2.02 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 2.31 2.34 0.00 53 E 8.42 4.01 0.00 1.98 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 2.60 2.71 0.00 54 I 8.25 3.95 1.93 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 1.62 0.74 0.92 0.00 0.00 55 G 7.78 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 56 D 7.88 4.41 0.00 2.92 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 *58 I 7.65 4.09 1.93 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 1.33 0.78 0.96 0.00 0.00 59 Y 8.22 4.27 0.00 2.95 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 60 D 8.55 3.97 0.00 2.86 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 61 A 8.11 3.96 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 62 L 8.03 4.07 0.00 1.96 1.76 0.98 0.54 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 63 L 8.21 4.02 0.00 1.67 1.64 0.54 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.82 3.56 2.23 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 0.99 0.00 0.00 0.97 0.00 0.00 65 A 7.92 3.94 1.39 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 0.00 0.00 66 A 8.28 3.96 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 67 V 8.05 3.61 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 1.05 0.00 0.00 0.94 0.00 0.00 68 A 8.23 4.18 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.26 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 70 R 7.84 3.83 0.00 1.95 2.06 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 71 D 8.53 4.44 0.00 2.66 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 0.00 0.00 0.00 72 Y 7.71 4.38 0.00 3.10 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 73 G 8.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.90 1.91 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 1.43 0.97 0.92 0.00 0.00 75 D 8.59 4.64 0.00 2.79 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 76 L 8.54 3.98 0.00 1.81 1.66 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.16 3.96 0.00 2.02 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 2.41 2.36 0.00 78 S 8.58 4.11 0.00 3.87 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 79 A 8.03 3.98 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 80 I 8.00 3.70 1.88 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 1.42 0.88 0.92 0.00 0.00 81 Q 8.36 3.96 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 82 K 8.33 3.88 0.00 2.02 1.85 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 83 V 7.43 3.74 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 0.94 0.00 0.00 84 V 8.09 3.60 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 1.11 0.00 0.00 0.97 0.00 0.00 85 E 8.35 3.92 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 86 K 8.12 3.90 0.00 1.93 1.95 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 87 I 7.82 3.73 1.87 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 0.67 0.85 0.00 0.00 88 S 8.08 4.24 0.00 3.78 3.73 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 89 H 8.30 4.26 0.00 3.06 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.19 3.95 0.00 1.83 1.87 0.00 3.19 0.00 0.00 2.77 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.77 0.00 91 K 7.84 2.62 0.00 1.27 0.74 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.87 1.20 7.81 92 P 0.00 4.16 0.00 1.71 2.21 0.00 3.33 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 93 W 6.97 3.31 0.00 3.39 3.09 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 0.00 94 L 6.85 3.84 0.00 0.77 1.06 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.68 4.78 0.00 3.09 3.15 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 96 W 7.61 5.21 0.00 3.63 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 97 E 9.20 4.15 0.00 2.00 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 2.35 2.40 0.00 98 E 7.95 4.47 0.00 2.07 1.90 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 2.32 2.28 0.00 99 K 8.37 4.45 0.00 1.77 1.77 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 100 I 7.69 4.79 2.04 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.26 1.21 0.00 0.00 101 S 8.79 4.34 0.00 4.00 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 0.00 102 L 8.30 3.72 0.00 1.67 1.63 0.81 0.69 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 0.00 103 E 7.94 3.87 0.00 2.03 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 2.35 2.37 0.00 104 E 8.07 3.86 0.00 2.20 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 0.00 2.33 2.29 0.00 105 A 7.91 2.84 -0.04 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 0.00 0.00 106 E 8.13 4.03 0.00 2.04 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 2.17 2.49 0.00 107 K 8.04 4.08 0.00 2.01 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.84 7.81 108 I 7.91 3.88 2.46 0.00 0.00 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 1.63 1.04 1.24 0.00 0.00 109 W 8.81 4.40 0.00 3.99 3.54 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 0.00 110 K 8.29 3.94 0.00 2.16 2.11 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.60 7.81 111 E 7.97 4.12 0.00 2.01 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 2.59 2.54 0.00 112 R 8.16 3.92 0.00 1.66 1.62 0.00 3.14 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 113 K 7.58 3.60 0.00 1.47 1.54 0.00 0.61 0.00 0.00 0.80 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.82 0.21 7.81 114 K 7.65 3.95 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 115 K 7.82 4.17 0.00 1.79 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.