NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.4264 8.1233 123.5977 50.9717 20.8270 178.1785 15 W 4.1663 8.5014 117.9549 59.5536 28.6517 176.7188 16 L 3.7219 8.1482 119.0686 57.5258 41.6681 178.3418 17 L 4.0218 7.9834 119.7244 58.8880 41.8784 178.9207 18 M 4.0758 8.1568 117.9736 57.9648 31.8086 178.6431 19 A 3.4138 8.1949 121.5476 54.1680 17.9557 178.5868 20 F 5.0976 7.4569 113.9339 58.1577 39.2587 177.3371 21 T 3.9598 7.9273 116.1818 64.6896 68.6331 176.5613 22 A 4.3252 8.4973 123.8441 54.5267 18.7956 178.0964 23 L 4.4394 8.4566 114.9291 54.8438 41.9747 177.6820 24 A 4.6302 7.7499 120.5897 51.8998 21.0784 177.8822 25 L 4.4677 7.6686 114.1810 56.2664 43.0711 178.3070 26 E 3.5753 8.6563 119.4651 59.1954 29.4913 178.9545 27 L 4.7492 7.6096 115.4666 55.0372 42.3170 178.4576 28 T 4.8050 8.1426 115.8367 64.8626 68.7180 175.5883 29 A 4.2177 8.5929 122.3500 53.2043 16.0376 179.5458 30 L 3.7151 5.6200 122.2578 57.1832 42.7492 177.9787 31 W 4.6461 8.0201 119.5822 59.6256 29.7302 178.7992 32 F 4.9135 8.2153 120.6937 57.0131 37.5380 175.5263 33 Q 4.9345 10.7000 120.6779 58.0681 36.2267 177.6709 34 H 4.6255 7.8848 114.0272 58.1360 29.1437 178.2482 35 V 3.5475 8.0966 118.8844 66.3351 31.3734 176.4750 36 M 4.3795 8.2110 115.5032 54.4130 32.1451 176.5768 37 L 3.6837 7.2133 116.8691 55.7051 39.2592 173.6377 38 L 4.7653 8.5427 119.2769 52.7012 44.2089 176.7653 39 K 4.4442 8.3784 120.5326 55.2897 33.4375 176.7579 40 P 4.7963 0.0000 0.0000 62.2869 33.2407 173.0303 41 C 5.0464 8.4096 116.6315 56.0211 41.6049 173.6218 42 V 4.0783 8.4599 114.5695 65.4549 32.4071 178.5335 43 L 4.1396 8.4289 119.3137 59.7348 41.3549 180.2510 44 C 3.7595 8.2128 113.3526 61.1101 35.2469 175.6424 45 I 3.5712 7.9166 114.7519 63.1939 37.6112 178.0151 46 Y 3.7912 7.6904 119.1329 61.1161 37.6907 177.5655 47 E 3.5032 8.5899 119.9788 59.1996 29.4461 179.5243 48 R 3.9524 8.3692 118.6307 58.6030 29.9747 179.1756 49 V 3.5677 7.3785 117.7219 65.1919 32.0178 178.0609 50 A 4.4050 8.5416 121.0958 51.8727 17.7243 176.9520 51 L 4.6348 7.7650 124.9348 57.4144 49.6193 176.2729 52 F 4.2778 9.5438 119.1497 58.8991 39.0360 176.1974 53 G 4.3097 8.0152 110.0579 45.0383 0.0000 174.8063 54 V 4.4757 8.2499 118.6647 64.3023 36.0103 176.5019 55 L 4.2757 7.9088 114.6571 55.4339 40.8759 177.6270 56 G 3.9282 7.8711 107.0486 45.2758 0.0000 173.4661 57 A 5.2280 7.4321 123.0321 50.9380 18.9971 176.5703 58 A 4.8222 7.4923 122.6828 53.8227 26.1426 179.0080 59 L 3.3025 7.9250 116.7841 56.6786 40.7215 178.5755 60 I 4.4156 5.4200 119.4535 62.7173 38.9143 176.2841 61 G 3.9524 8.4725 111.8394 45.8347 0.0000 175.7350 62 A 4.6590 9.0674 130.3325 51.6158 20.7738 178.9885 63 I 3.6379 7.9392 115.2982 61.4133 37.3765 176.5228 64 A 3.9881 8.0590 125.3379 50.6682 18.1691 175.9584 65 P 4.3038 0.0000 0.0000 62.7336 30.8305 176.9102 66 K 4.4193 7.4344 116.8802 55.4327 36.1734 176.8397 67 T 4.5271 8.1268 115.5322 60.5339 69.2290 173.6291 68 P 4.3065 0.0000 0.0000 65.0596 32.4165 175.2534 69 L 4.5292 7.6000 120.8106 53.0760 42.8418 175.9003 70 R 4.8791 8.3474 128.8943 54.8127 31.0260 177.0477 71 Y 4.5020 7.4577 116.1823 57.8132 38.8590 176.4063 72 V 3.6393 7.0541 120.5256 65.9910 31.6269 177.3750 73 A 4.0092 7.7301 119.7999 54.4801 18.0852 178.9702 74 M 3.7991 7.2670 116.5767 59.0635 32.3014 178.6682 75 V 3.3954 7.5520 116.6814 65.7256 31.5538 177.5066 76 I 4.1690 7.7547 117.8672 62.7775 36.8257 176.4749 77 W 4.9131 7.9713 119.3344 57.5651 31.6226 177.5864 78 L 3.6092 8.9107 118.8522 57.6368 41.5457 177.3999 79 Y 5.2448 7.8507 114.1807 56.3301 38.8160 174.4284 80 S 4.8527 8.0727 114.1589 58.8686 69.6767 176.9395 81 A 4.1108 7.6406 121.8255 54.3447 18.1345 179.1452 82 F 4.5477 8.4279 119.1132 61.7674 39.5471 176.8932 83 R 3.9223 7.8442 118.4632 58.8722 29.7744 179.0597 84 G 3.9244 7.9715 104.8929 48.4382 0.0000 175.1266 85 V 3.7484 8.0391 120.9061 65.9443 31.4031 178.0905 86 Q 4.3611 7.6410 116.9255 58.8839 28.9174 177.7906 87 L 3.8779 8.0544 121.8404 58.2560 41.7235 179.6883 88 T 4.3667 7.1697 110.4176 64.5252 68.5760 175.6749 89 Y 4.0609 8.3161 122.7473 60.2987 38.6734 177.3640 90 E 3.4471 8.9366 119.7373 60.4357 29.9905 178.6296 91 H 3.6942 7.9292 116.2609 60.4844 29.4590 176.5645 92 T 4.1555 8.7423 116.4773 64.3434 67.0873 176.1796 93 M 3.8209 7.6307 120.6888 58.0871 32.0048 177.6069 94 L 5.2690 7.3587 117.2313 54.0191 41.6664 178.4821 95 Q 3.9870 7.6778 119.4020 58.3807 28.7304 177.7174 96 L 4.7572 7.9038 114.2862 54.6558 43.7552 176.0908 97 Y 4.4430 7.4930 117.2412 56.4414 37.0102 173.4116 98 P 4.8313 0.0000 0.0000 61.6757 33.2806 176.3526 99 S 4.2663 8.0018 112.0095 55.9444 64.7765 171.1028 100 P 3.9059 0.0000 0.0000 66.8506 31.4834 177.8470 101 F 4.5472 6.4400 110.3969 57.3699 37.5894 175.2825 102 A 4.6843 7.6604 125.9626 51.7776 20.9584 175.6816 103 T 4.5162 7.6269 106.0603 62.3508 71.1456 172.4566 104 C 4.3875 7.8089 112.0142 58.6089 32.0129 172.7268 105 D 5.1899 8.3694 125.0232 52.3430 43.3431 176.4012 106 F 4.9445 8.3023 110.7637 56.6065 39.5163 174.4718 107 M 4.2499 7.0209 119.5652 53.6355 33.8738 174.4758 108 V 4.6049 7.5880 112.4516 60.0739 35.8837 174.2647 109 R 4.6049 8.0893 116.2119 55.2038 32.3329 175.4539 110 F 4.8885 8.3647 119.8888 56.7760 41.2249 172.7461 111 P 4.2773 0.0000 0.0000 63.7296 30.7215 178.9049 112 E 3.8165 9.6000 127.9043 57.8159 28.1509 175.1635 113 W 3.3341 8.8861 114.3753 56.5474 27.7490 174.5543 114 L 3.9883 7.2952 118.8957 53.8205 41.1543 175.5348 115 P 4.6756 0.0000 0.0000 59.3039 30.9197 174.5612 116 L 4.3754 9.4467 126.8362 60.8813 39.9991 178.8353 117 D 5.2998 7.8268 119.9884 56.9104 40.7868 179.0709 118 K 4.2097 7.4387 118.8107 57.8238 32.5386 179.0846 119 W 5.1679 7.6701 119.5580 58.1662 29.9324 177.4328 120 V 4.1902 7.4170 125.6137 59.0236 29.1496 174.2262 121 P 4.6905 0.0000 0.0000 65.5342 31.6031 179.1671 122 Q 4.2903 8.1161 116.0717 57.9886 28.7710 177.2153 123 V 4.3878 7.2141 112.0962 61.0152 33.6496 176.0778 124 F 4.9163 8.1909 122.6692 56.1126 37.9205 175.5861 125 V 4.6338 7.2621 118.1434 59.9430 34.7570 174.7039 126 A 4.8509 8.2090 123.2373 50.8612 22.0425 177.2617 127 S 4.6584 8.3224 112.4411 57.5554 63.9772 172.6818 128 G 4.2372 8.5301 114.1494 46.7310 0.0000 169.5759 129 D 5.0274 8.5277 124.7227 51.8903 44.6672 174.6351 130 S 3.6956 8.2049 112.0177 62.9659 63.3667 178.4186 *135 W 5.3097 7.4912 124.6485 56.4963 30.2384 170.6293 136 D 4.6407 9.4944 128.1546 54.8496 40.4984 173.7071 137 F 4.0571 8.5428 121.1920 56.1033 41.6807 174.7279 138 L 3.5920 7.8752 129.2950 55.9141 39.0244 176.0959 139 G 3.9858 8.6396 115.4229 46.6661 0.0000 172.5288 140 L 4.5463 7.3011 120.1727 53.5303 45.6421 173.2059 141 E 4.9991 8.1110 119.0189 55.9787 31.5804 175.4006 142 M 3.8571 8.3084 117.9326 58.8834 31.9806 176.6813 143 P 4.0422 0.0000 0.0000 65.9255 31.7340 178.3539 144 Q 3.9833 8.0423 117.5277 58.5774 28.5596 178.4890 145 W 4.4878 7.5694 127.2165 60.2532 30.7556 177.0215 146 L 4.4434 7.9691 117.9233 56.4272 41.6466 178.7229 147 L 4.0888 7.9953 118.9215 57.3894 41.4164 178.7968 148 G 3.9154 8.2565 103.9534 46.2339 0.0000 173.8817 149 I 4.5645 7.2964 111.5105 60.6081 40.0749 177.5272 150 F 4.1326 9.0178 120.1830 59.3615 39.0963 176.6135 151 I 4.3159 7.9377 111.0707 61.3592 38.3409 177.7378 152 A 4.1238 7.7317 123.0582 55.4706 18.3570 178.7207 153 Y 3.9609 8.3076 110.3536 59.5967 37.7926 177.2137 154 L 4.2574 7.9438 122.3903 56.4539 42.1992 178.3393 155 I 3.6688 7.4532 110.9730 63.9253 38.6332 178.3879 156 V 3.9749 7.6293 119.4192 60.9525 30.5485 174.3732 157 A 4.7162 7.4307 124.8148 53.4112 26.0871 179.4384 158 V 3.5531 8.7322 116.5098 66.2743 31.8405 177.7571 159 L 3.9358 8.3236 118.8111 58.1272 41.5012 179.1418 160 V 3.7758 7.7375 115.6300 64.7131 31.9334 176.8301 161 V 3.9751 7.1964 118.4940 64.5634 32.1425 175.5177 162 I 3.9459 7.5039 116.2434 61.0428 37.5468 175.4610 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 14 A 8.12 4.43 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.50 4.17 0.00 3.35 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 16 L 8.15 3.72 0.00 1.79 1.78 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.98 4.02 0.00 1.80 1.97 0.75 1.04 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 18 M 8.16 4.08 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.63 0.00 19 A 8.19 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 7.46 5.10 0.00 3.08 2.97 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 0.00 0.00 0.00 21 T 7.93 3.96 4.32 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 1.04 0.00 0.00 22 A 8.50 4.33 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 23 L 8.46 4.44 0.00 1.93 1.84 0.98 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 4.63 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 25 L 7.67 4.47 0.00 1.70 1.49 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.66 3.58 0.00 1.87 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 1.47 2.06 0.00 27 L 7.61 4.75 0.00 1.82 1.13 0.96 0.41 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 28 T 8.14 4.80 4.35 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 1.04 0.00 0.00 29 A 8.59 4.22 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 30 L 5.62 3.72 0.00 1.85 1.09 0.55 0.30 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 31 W 8.02 4.65 0.00 3.22 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 32 F 8.22 4.91 0.00 3.44 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 33 Q 10.70 4.93 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 34 H 7.88 4.63 0.00 3.53 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.10 3.55 2.21 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 0.91 0.00 0.00 0.53 0.00 0.00 36 M 8.21 4.38 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 37 L 7.21 3.68 0.00 1.69 1.70 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.54 4.77 0.00 1.69 1.75 1.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.38 4.44 0.00 1.86 1.81 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.51 7.81 40 P 0.00 4.80 0.00 2.06 2.00 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 41 C 8.41 5.05 0.00 3.04 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 42 V 8.46 4.08 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 1.27 0.00 0.00 1.07 0.00 0.00 43 L 8.43 4.14 0.00 1.84 1.74 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.21 3.76 0.00 3.11 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 45 I 7.92 3.57 1.55 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.01 0.85 0.00 0.00 46 Y 7.69 3.79 0.00 3.14 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 47 E 8.59 3.50 0.00 2.06 1.72 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 1.92 2.32 0.00 48 R 8.37 3.95 0.00 1.62 1.54 0.00 2.92 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 1.48 1.68 0.00 49 V 7.38 3.57 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 0.86 0.00 0.00 0.35 0.00 0.00 50 A 8.54 4.41 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 51 L 7.77 4.63 0.00 2.16 1.93 1.15 0.77 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 52 F 9.54 4.28 0.00 3.10 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 53 G 8.02 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 0.00 0.00 0.00 0.00 54 V 8.25 4.48 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 0.87 0.00 0.00 0.95 0.00 0.00 55 L 7.91 4.28 0.00 1.36 1.61 0.59 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.87 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 57 A 7.43 5.23 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 58 A 7.49 4.82 1.63 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 0.00 0.00 59 L 7.93 3.30 0.00 1.44 0.83 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 I 5.42 4.42 1.91 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 1.27 0.42 0.98 0.00 0.00 61 G 8.47 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 62 A 9.07 4.66 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 63 I 7.94 3.64 2.30 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.31 1.06 0.00 0.00 64 A 8.06 3.99 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 65 P 0.00 4.30 0.00 2.02 2.05 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 66 K 7.43 4.42 0.00 1.63 1.56 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.28 7.81 67 T 8.13 4.53 4.11 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 0.00 0.00 0.94 0.00 0.00 68 P 0.00 4.31 0.00 2.15 2.16 0.00 3.70 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 69 L 7.60 4.53 0.00 1.50 1.46 0.98 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.35 4.88 0.00 1.73 1.68 0.00 3.35 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 71 Y 7.46 4.50 0.00 3.14 3.17 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 0.00 72 V 7.05 3.64 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 1.01 0.00 0.00 0.54 0.00 0.00 73 A 7.73 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.27 3.80 0.00 2.41 2.05 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 2.58 2.56 0.00 75 V 7.55 3.40 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 1.32 0.00 0.00 1.16 0.00 0.00 76 I 7.75 4.17 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.77 1.34 0.00 0.00 77 W 7.97 4.91 0.00 3.46 3.16 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 78 L 8.91 3.61 0.00 1.39 0.59 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 7.85 5.24 0.00 3.02 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 80 S 8.07 4.85 0.00 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 0.00 81 A 7.64 4.11 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 82 F 8.43 4.55 0.00 3.18 3.20 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 0.00 0.00 0.00 0.00 83 R 7.84 3.92 0.00 1.91 1.96 0.00 3.59 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 84 G 7.97 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 85 V 8.04 3.75 2.21 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 0.86 0.00 0.00 1.19 0.00 0.00 86 Q 7.64 4.36 0.00 2.33 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 87 L 8.05 3.88 0.00 1.36 1.57 0.89 0.31 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 88 T 7.17 4.37 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 0.76 0.00 0.00 89 Y 8.32 4.06 0.00 2.92 3.11 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 0.00 0.00 0.00 90 E 8.94 3.45 0.00 1.83 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 2.25 2.34 0.00 91 H 7.93 3.69 0.00 3.26 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.74 4.16 4.37 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 1.26 0.00 0.00 93 M 7.63 3.82 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.62 0.00 94 L 7.36 5.27 0.00 1.59 1.62 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.68 3.99 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 96 L 7.90 4.76 0.00 1.62 1.77 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.49 4.44 0.00 3.09 2.83 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 0.00 0.00 0.00 98 P 0.00 4.83 0.00 2.10 2.02 0.00 3.62 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 1.89 1.90 0.00 99 S 8.00 4.27 0.00 3.67 3.62 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 0.00 100 P 0.00 3.91 0.00 1.62 1.83 0.00 3.13 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 101 F 6.44 4.55 0.00 3.05 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 0.00 102 A 7.66 4.68 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 0.00 103 T 7.63 4.52 4.25 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 1.21 0.00 0.00 104 C 7.81 4.39 0.00 3.08 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 0.00 105 D 8.37 5.19 0.00 2.78 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 0.00 106 F 8.30 4.94 0.00 3.15 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 0.00 107 M 7.02 4.25 0.00 1.66 1.38 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.81 0.00 108 V 7.59 4.60 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 0.72 0.00 0.00 0.86 0.00 0.00 109 R 8.09 4.60 0.00 1.85 1.84 0.00 3.12 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 110 F 8.36 4.89 0.00 2.78 2.85 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 0.00 111 P 0.00 4.28 0.00 2.33 1.24 0.00 3.89 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 2.28 2.20 0.00 112 E 9.60 3.82 0.00 2.18 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 0.00 2.38 2.45 0.00 113 W 8.89 3.33 0.00 3.23 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 0.00 114 L 7.30 3.99 0.00 0.27 0.13 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.68 0.00 1.49 1.70 0.00 3.99 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.66 0.00 116 L 9.45 4.38 0.00 2.03 2.05 0.74 0.10 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 0.00 117 D 7.83 5.30 0.00 2.65 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 0.00 118 K 7.44 4.21 0.00 1.39 1.70 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.28 7.81 119 W 7.67 5.17 0.00 3.43 3.02 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 0.00 120 V 7.42 4.19 1.86 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 0.08 0.00 0.00 0.85 0.00 0.00 121 P 0.00 4.69 0.00 2.22 2.17 0.00 3.90 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 122 Q 8.12 4.29 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 123 V 7.21 4.39 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 0.61 0.00 0.00 0.87 0.00 0.00 124 F 8.19 4.92 0.00 3.29 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 0.00 125 V 7.26 4.63 2.32 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 0.85 0.00 0.00 0.96 0.00 0.00 126 A 8.21 4.85 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 0.00 127 S 8.32 4.66 0.00 3.91 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 0.00 128 G 8.53 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 0.00 129 D 8.53 5.03 0.00 2.73 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 0.00 130 S 8.20 3.70 0.00 4.04 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 *135 W 7.49 5.31 0.00 3.34 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 0.00 136 D 9.49 4.64 0.00 2.83 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 0.00 137 F 8.54 4.06 0.00 2.52 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.88 3.59 0.00 1.20 1.38 1.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.64 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 0.00 0.00 0.00 0.00 140 L 7.30 4.55 0.00 1.49 1.46 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.11 5.00 0.00 2.00 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 0.00 2.27 2.23 0.00 142 M 8.31 3.86 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.31 0.00 143 P 0.00 4.04 0.00 2.14 2.04 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 144 Q 8.04 3.98 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 145 W 7.57 4.49 0.00 3.25 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 0.00 146 L 7.97 4.44 0.00 2.03 2.06 0.95 0.80 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 0.00 147 L 8.00 4.09 0.00 1.99 1.79 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.26 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 0.00 149 I 7.30 4.56 1.42 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.74 0.00 0.00 150 F 9.02 4.13 0.00 3.09 3.20 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 0.00 0.00 0.00 0.00 151 I 7.94 4.32 1.91 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 1.79 0.94 1.02 0.00 0.00 152 A 7.73 4.12 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 0.00 153 Y 8.31 3.96 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.26 0.00 1.96 1.65 0.96 0.83 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 0.00 155 I 7.45 3.67 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 1.57 0.65 0.92 0.00 0.00 156 V 7.63 3.97 1.98 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 0.73 0.00 0.00 0.90 0.00 0.00 157 A 7.43 4.72 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 0.00 158 V 8.73 3.55 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 0.95 0.00 0.00 1.01 0.00 0.00 159 L 8.32 3.94 0.00 1.63 1.76 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.74 3.78 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 0.76 0.00 0.00 0.95 0.00 0.00 161 V 7.20 3.98 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 0.74 0.00 0.00 0.79 0.00 0.00 162 I 7.50 3.95 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.