NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1290 8.3444 121.7112 55.9980 31.0053 175.1198 3 D 4.4524 7.8387 120.5906 52.9213 40.4166 173.0042 4 E 4.5058 9.5011 127.5857 57.7286 30.6400 178.8897 5 R 3.9854 8.2791 118.3256 58.3399 30.1123 177.4906 6 W 4.4184 8.1139 116.3384 57.3280 29.3556 177.1515 7 N 4.6109 8.2486 117.0408 56.4856 38.4213 175.5979 8 H 4.9492 7.5998 115.7143 54.7324 30.7550 170.4959 9 P 4.5012 0.0000 0.0000 61.4952 32.5037 177.0299 10 L 4.1147 8.2945 119.6470 58.0294 41.7700 177.4023 11 Y 4.7598 7.2766 115.6566 56.7621 41.4316 173.1629 12 T 4.4537 7.4961 114.9736 60.1242 71.9176 172.4769 13 T 4.5287 7.8694 116.1433 60.8884 70.5987 172.3615 14 T 4.8967 8.0825 111.9382 59.8685 72.5292 172.5700 15 A 4.8953 8.4344 123.1803 50.3520 22.3836 175.4066 16 I 4.4138 8.4278 121.7995 59.2680 41.1659 174.2754 17 N 5.1293 8.6344 123.7254 51.5309 41.3688 173.3714 18 D 4.9543 8.8886 125.7514 53.0155 40.1276 174.7542 19 E 4.7443 8.3200 118.2220 54.6999 32.6980 175.2758 20 E 4.2335 8.4144 119.5974 55.8977 30.2780 177.1563 21 L 3.9398 8.6569 121.4859 58.3749 41.8907 176.4835 22 E 4.7932 8.0159 119.5194 55.8526 29.3018 176.0078 23 G 3.9644 8.4288 119.8947 45.6577 0.0000 171.0854 24 H 5.5365 8.8704 122.5846 54.5974 33.3486 172.1772 25 A 5.1606 9.0790 121.1610 50.7640 22.7785 174.7472 26 Y 5.3002 8.5728 117.2265 55.8143 42.3412 173.8670 27 I 4.7482 8.8280 122.4834 58.6838 38.6371 173.9644 28 P 4.6119 0.0000 0.0000 64.2804 31.5255 177.0465 29 G 4.1198 9.6555 111.0292 45.5648 0.0000 173.5949 30 G 3.9078 8.1887 111.2008 43.9617 0.0000 172.5159 31 L 4.0515 8.6968 124.2505 54.9667 42.7555 176.0954 32 K 5.1347 8.5835 126.1660 54.5692 34.8455 175.1655 33 V 4.6057 8.6296 118.8516 59.3077 35.3630 174.8208 34 Q 4.6006 8.7329 125.9240 56.3093 30.3438 174.7215 35 T 5.3469 8.5341 116.1025 60.3732 72.3548 172.6739 36 S 5.0572 8.5040 115.6832 57.9516 66.3193 174.3679 37 S 4.1753 8.8706 116.1647 56.9407 62.6598 173.7080 38 P 4.3616 0.0000 0.0000 62.3157 29.6930 174.3085 *40 N 4.4774 7.6530 114.9521 54.0083 38.6254 173.8202 41 D 4.8018 8.3757 114.7927 53.4121 39.6550 176.3647 42 H 4.4541 8.3408 116.9610 55.2566 29.2335 173.7595 43 P 4.3195 0.0000 0.0000 63.3967 31.8004 175.4898 44 G 4.1166 8.3633 106.5158 44.1349 0.0000 174.0902 45 T 4.4432 8.9624 115.9069 60.8009 69.4477 172.8614 46 N 5.0395 7.9599 117.4196 50.5195 40.8879 173.1724 47 P 4.2755 0.0000 0.0000 65.5795 31.3033 178.9270 48 E 3.4791 7.8661 116.9927 59.3098 29.2185 179.1375 49 Q 3.9246 8.5663 118.3183 59.0121 28.7241 178.9424 50 L 3.9839 8.0062 119.9891 57.6114 41.5469 179.3185 51 L 4.0310 8.3152 120.7350 58.1346 41.9695 179.2590 52 G 3.5778 8.1296 105.5928 47.8044 0.0000 175.5902 53 L 3.9687 8.2765 121.9072 57.4311 41.5404 179.5004 54 S 4.0320 8.2725 113.2030 61.3547 62.3700 176.0289 55 L 3.8959 8.1610 123.3994 58.0765 41.8710 178.8584 56 S 4.1458 8.2572 114.4817 62.0020 62.6878 176.7323 57 T 3.8631 7.8335 119.1750 66.2917 68.1055 176.3563 58 C 4.0824 8.3212 120.8134 62.4008 31.5499 175.5642 59 L 3.9832 8.3348 121.0669 57.7980 41.2189 179.1469 60 E 3.9642 8.4294 119.0573 59.2016 29.5845 178.6851 61 A 4.0531 8.2356 121.0007 55.4945 18.2785 179.7874 62 T 3.7792 8.1637 114.4741 66.5959 68.4548 176.7120 63 L 3.9826 8.3023 122.7308 58.0723 42.1286 178.5861 64 E 4.6029 8.6687 120.5852 58.7159 29.5026 178.6788 65 A 3.9172 7.8995 120.8059 55.0500 18.5495 179.7618 66 V 3.3547 7.7595 116.7213 66.0627 31.5675 177.9075 67 E 3.7608 8.2099 118.6350 59.5367 29.3639 179.6714 68 K 3.9874 8.0809 118.2384 59.5127 31.8696 179.3157 69 E 3.9822 8.1135 117.9120 59.1588 29.3929 178.1052 70 H 4.6920 7.8274 113.5916 55.0279 29.0230 175.6647 71 G 3.9120 7.9323 108.7571 46.2011 0.0000 173.5754 72 L 4.7741 7.8188 118.6517 51.5852 43.9165 174.8279 73 P 4.4286 0.0000 0.0000 62.5824 32.1426 175.4035 74 H 5.0031 8.5651 118.9284 55.8015 29.4231 174.2368 75 T 4.5113 9.1400 116.0312 60.9565 69.5117 174.1579 76 G 4.1514 7.8910 110.2252 45.3600 0.0000 173.1894 77 A 5.0749 7.9926 120.7163 50.1478 22.2956 175.3665 78 V 4.9847 8.4234 119.5185 61.1368 34.8911 174.6249 79 R 4.4327 8.8467 127.2718 54.2805 32.8715 174.0642 80 V 4.8138 8.3054 125.3037 60.9478 34.1336 174.1128 81 K 4.5884 9.2194 129.4905 54.7312 34.3621 174.8836 82 V 4.9390 8.3362 125.8791 61.0256 34.1820 174.1281 83 A 4.8314 9.0277 129.3634 50.0988 21.9714 174.6439 84 F 5.6701 8.7816 123.6411 56.7000 40.9363 174.8436 85 I 4.4589 9.1884 118.9318 59.5167 41.1346 173.5999 86 G 3.9804 9.5337 105.4984 44.8560 0.0000 172.1991 87 A 4.2509 7.8778 123.8720 50.1917 22.3055 175.1251 88 R 3.5938 8.1673 118.2178 58.1993 30.0171 175.9189 89 A 3.8212 8.8159 125.3508 52.9161 16.5048 176.9504 90 E 4.6878 7.8666 116.8350 56.3909 30.9202 174.6490 91 Y 4.9521 7.8706 115.1654 57.5153 39.7283 175.3450 92 Q 4.7529 9.3302 120.1671 54.6154 34.0007 173.6781 93 F 5.8331 8.8186 118.7458 56.1350 41.5134 175.1801 94 L 5.0845 9.0866 122.3751 53.0984 44.8050 175.6635 95 V 4.8989 9.0264 122.0292 61.4880 35.1005 173.6046 96 H 5.4349 9.6054 127.2601 54.5264 32.8308 171.6312 97 A 5.1884 9.0192 128.1485 50.4366 21.7272 175.2723 98 Q 5.0639 9.2156 119.9781 54.1880 32.3986 175.0825 99 V 5.2362 8.6176 122.4427 59.8972 36.1879 174.4394 *101 V 3.9666 8.1019 120.1203 62.0111 31.1804 174.3445 102 K 4.1697 8.3758 129.0152 56.4111 32.5103 176.9978 103 G 3.9343 8.4743 112.3949 46.0707 0.0000 173.3378 104 V 4.5033 7.0895 111.5903 58.0299 36.0553 175.3979 105 D 4.5218 8.3023 121.0475 53.4865 41.0119 177.1118 106 F 3.9812 8.8106 122.9433 61.7637 39.4120 177.2320 107 D 4.2810 8.1428 117.9354 57.5762 40.5427 178.8462 108 T 3.5467 7.6730 116.1880 66.2732 68.3586 176.6001 109 A 3.7012 7.6070 122.6390 55.0525 18.2774 179.8811 110 K 3.8203 8.0744 118.2304 58.8574 32.1108 179.4361 111 A 3.9878 7.8675 120.9848 55.3296 18.2595 179.7536 112 F 4.4145 8.4937 116.6999 60.9674 38.8494 178.0980 113 T 3.8996 8.1155 115.5887 66.7014 68.1338 176.3639 114 N 4.3195 8.3373 118.4178 56.3181 38.1422 177.2273 115 E 4.0244 8.3291 120.0789 59.5554 29.5607 179.6053 116 I 3.7774 8.0275 113.1889 63.8011 37.4560 177.6344 117 E 3.9775 8.2367 120.5775 59.3972 29.5000 178.3177 118 N 4.5533 7.9047 115.2355 55.2879 38.7446 176.7247 119 R 4.4864 7.2756 117.5864 56.3368 31.5410 176.9721 120 C 4.2444 7.9484 121.4621 58.1966 32.4045 172.0868 121 P 4.1929 0.0000 0.0000 65.9611 30.9364 178.7793 122 V 3.5489 7.6666 116.3666 65.7966 31.3145 177.7308 123 S 3.9051 7.9707 111.5616 61.4473 62.4214 175.8724 124 K 4.1582 8.3147 121.1885 59.5048 31.5458 179.3525 125 L 4.0014 7.7014 118.3822 57.1786 41.8521 178.6294 126 L 4.3647 7.5197 116.8603 54.8236 41.7099 178.3073 127 K 4.0561 7.4414 120.4154 59.4398 32.1192 176.7515 128 N 4.8872 7.8185 112.7461 53.1146 38.6356 176.1485 129 S 4.1933 8.1913 115.5613 59.2136 63.3733 175.7856 130 G 3.9988 8.3934 107.4527 45.7933 0.0000 173.1592 131 N 5.1090 8.4214 115.5134 52.7443 40.7932 172.9347 132 Y 5.6232 8.1771 120.5433 56.0312 41.2620 174.6399 133 T 4.5678 8.9524 115.7167 59.9510 72.7781 172.5235 134 I 5.0952 7.8784 121.5318 59.5947 41.3440 173.5794 135 E 4.8346 9.1247 124.9742 55.3741 33.7103 173.6780 136 T 5.0334 8.4695 116.6464 62.3397 70.6403 174.3170 137 V 4.8802 8.7495 118.6604 59.9518 35.2685 175.8689 138 T 4.2619 8.7594 111.8939 63.7517 69.4123 173.9215 139 D 4.3119 7.6088 118.8593 52.8494 41.9334 174.4671 140 F 5.1190 8.4222 117.3457 58.0388 39.2461 177.0543 141 K 4.2636 8.4671 128.6254 54.8448 31.5408 179.8424 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 Q 8.34 4.13 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.10 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 3 D 7.84 4.45 0.00 2.99 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 4 E 9.50 4.51 0.00 2.11 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 2.44 2.53 0.00 5 R 8.28 3.99 0.00 1.84 1.88 0.00 3.10 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 6 W 8.11 4.42 0.00 3.41 3.23 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 7 N 8.25 4.61 0.00 2.87 2.93 0.00 0.00 6.64 7.68 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 8 H 7.60 4.95 0.00 3.02 3.19 0.00 5.93 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.50 0.00 2.02 1.84 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 10 L 8.29 4.11 0.00 1.65 1.74 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.28 4.76 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.50 4.45 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 1.23 0.00 0.00 13 T 7.87 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 1.29 0.00 0.00 14 T 8.08 4.90 4.20 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 1.19 0.00 0.00 15 A 8.43 4.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.43 4.41 0.81 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 0.95 0.49 0.76 0.00 0.00 17 N 8.63 5.13 0.00 2.63 2.62 0.00 0.00 6.84 8.47 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 18 D 8.89 4.95 0.00 2.78 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 19 E 8.32 4.74 0.00 2.01 1.93 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 2.28 2.32 0.00 20 E 8.41 4.23 0.00 1.97 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 0.00 2.33 2.31 0.00 21 L 8.66 3.94 0.00 1.70 1.67 0.87 0.85 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 22 E 8.02 4.79 0.00 2.01 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 2.30 2.29 0.00 23 G 8.43 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.87 5.54 0.00 3.40 3.35 0.00 5.80 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 25 A 9.08 5.16 1.20 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 0.00 0.00 26 Y 8.57 5.30 0.00 2.98 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 27 I 8.83 4.75 2.02 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 1.28 0.98 0.00 0.00 28 P 0.00 4.61 0.00 2.09 2.13 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 29 G 9.66 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.19 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 0.00 0.00 0.00 31 L 8.70 4.05 0.00 1.77 1.60 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.58 5.13 0.00 1.75 1.65 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.35 1.51 7.81 33 V 8.63 4.61 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 0.74 0.00 0.00 1.04 0.00 0.00 34 Q 8.73 4.60 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 35 T 8.53 5.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 S 8.50 5.06 0.00 4.12 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 37 S 8.87 4.18 0.00 3.84 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 38 P 0.00 4.36 0.00 2.14 1.96 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 *40 N 7.65 4.48 0.00 2.74 2.85 0.00 0.00 6.26 8.06 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 41 D 8.38 4.80 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 42 H 8.34 4.45 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.32 0.00 2.20 1.98 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 44 G 8.36 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.96 4.44 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 46 N 7.96 5.04 0.00 2.98 2.95 0.00 0.00 5.98 7.76 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 47 P 0.00 4.28 0.00 2.44 2.27 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 48 E 7.87 3.48 0.00 1.97 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 49 Q 8.57 3.92 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 50 L 8.01 3.98 0.00 1.69 1.72 0.96 0.36 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 51 L 8.32 4.03 0.00 1.88 1.90 0.92 1.34 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 52 G 8.13 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 53 L 8.28 3.97 0.00 1.83 1.72 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.27 4.03 0.00 3.87 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.16 3.90 0.00 1.71 1.60 0.83 1.05 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 56 S 8.26 4.15 0.00 4.07 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 0.00 57 T 7.83 3.86 4.40 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 1.20 0.00 0.00 58 C 8.32 4.08 0.00 3.10 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 59 L 8.33 3.98 0.00 1.81 1.75 1.01 0.78 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 60 E 8.43 3.96 0.00 2.22 2.16 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 2.37 2.43 0.00 61 A 8.24 4.05 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 62 T 8.16 3.78 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 1.19 0.00 0.00 63 L 8.30 3.98 0.00 1.87 1.89 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.67 4.60 0.00 1.86 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 2.20 2.01 0.00 65 A 7.90 3.92 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 66 V 7.76 3.35 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 0.45 0.00 0.00 0.87 0.00 0.00 67 E 8.21 3.76 0.00 2.17 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 2.45 2.43 0.00 68 K 8.08 3.99 0.00 1.90 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 69 E 8.11 3.98 0.00 2.01 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 0.00 2.29 2.42 0.00 70 H 7.83 4.69 0.00 3.30 3.46 0.00 5.74 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 71 G 7.93 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 0.00 0.00 0.00 72 L 7.82 4.77 0.00 1.80 1.65 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.43 0.00 2.20 2.09 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 74 H 8.57 5.00 0.00 3.08 3.30 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 9.14 4.51 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 76 G 7.89 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.99 5.07 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 78 V 8.42 4.98 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 0.86 0.00 0.00 1.11 0.00 0.00 79 R 8.85 4.43 0.00 0.67 0.79 0.00 2.84 0.00 0.00 2.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.22 0.00 80 V 8.31 4.81 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 0.85 0.00 0.00 0.94 0.00 0.00 81 K 9.22 4.59 0.00 1.81 1.66 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.34 7.81 82 V 8.34 4.94 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 0.63 0.00 0.00 0.88 0.00 0.00 83 A 9.03 4.83 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 84 F 8.78 5.67 0.00 2.86 2.89 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 85 I 9.19 4.46 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.95 0.00 0.00 86 G 9.53 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.88 4.25 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 88 R 8.17 3.59 0.00 1.77 1.82 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 89 A 8.82 3.82 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 90 E 7.87 4.69 0.00 1.84 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 2.14 2.29 0.00 91 Y 7.87 4.95 0.00 3.02 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 92 Q 9.33 4.75 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 93 F 8.82 5.83 0.00 2.86 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 94 L 9.09 5.08 0.00 1.63 1.62 0.97 0.67 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 95 V 9.03 4.90 2.25 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 1.01 0.00 0.00 1.01 0.00 0.00 96 H 9.61 5.43 0.00 3.27 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 9.02 5.19 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 98 Q 9.22 5.06 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 2.46 2.27 0.00 99 V 8.62 5.24 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 1.22 0.00 0.00 0.99 0.00 0.00 *101 V 8.10 3.97 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 0.99 0.00 0.00 1.02 0.00 0.00 102 K 8.38 4.17 0.00 1.82 1.66 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.34 7.81 103 G 8.47 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 0.00 104 V 7.09 4.50 1.89 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 0.70 0.00 0.00 0.78 0.00 0.00 105 D 8.30 4.52 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.81 3.98 0.00 3.12 3.10 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 0.00 107 D 8.14 4.28 0.00 2.83 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 0.00 108 T 7.67 3.55 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 109 A 7.61 3.70 1.06 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 0.00 110 K 8.07 3.82 0.00 1.74 1.73 0.00 1.67 0.00 0.00 1.93 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.98 0.64 7.81 111 A 7.87 3.99 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 0.00 112 F 8.49 4.41 0.00 3.11 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 0.00 113 T 8.12 3.90 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 114 N 8.34 4.32 0.00 2.90 2.88 0.00 0.00 7.07 7.17 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 0.00 115 E 8.33 4.02 0.00 2.25 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 0.00 2.36 2.55 0.00 116 I 8.03 3.78 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.19 0.96 0.00 0.00 117 E 8.24 3.98 0.00 2.10 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 0.00 2.37 2.40 0.00 118 N 7.90 4.55 0.00 2.86 2.87 0.00 0.00 6.98 7.52 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 0.00 119 R 7.28 4.49 0.00 1.77 1.95 0.00 3.15 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 120 C 7.95 4.24 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.19 0.00 2.16 2.07 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 122 V 7.67 3.55 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 0.93 0.00 0.00 0.90 0.00 0.00 123 S 7.97 3.91 0.00 3.98 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 0.00 124 K 8.31 4.16 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.68 7.81 125 L 7.70 4.00 0.00 1.76 1.71 0.90 1.02 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 0.00 126 L 7.52 4.36 0.00 1.25 1.52 0.41 0.99 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 0.00 127 K 7.44 4.06 0.00 1.78 1.98 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.57 7.81 128 N 7.82 4.89 0.00 2.77 2.84 0.00 0.00 6.92 7.57 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 0.00 129 S 8.19 4.19 0.00 4.04 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 0.00 130 G 8.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 5.11 0.00 2.81 3.01 0.00 0.00 6.33 6.93 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 0.00 132 Y 8.18 5.62 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.95 4.57 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 1.20 0.00 0.00 134 I 7.88 5.10 1.57 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.73 0.00 0.00 135 E 9.12 4.83 0.00 2.09 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 0.00 2.36 2.37 0.00 136 T 8.47 5.03 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 0.77 0.00 0.00 137 V 8.75 4.88 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 0.86 0.00 0.00 1.20 0.00 0.00 138 T 8.76 4.26 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 1.23 0.00 0.00 139 D 7.61 4.31 0.00 2.66 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 0.00 140 F 8.42 5.12 0.00 3.06 2.91 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 0.00 141 K 8.47 4.26 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.