NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1474 8.0249 121.4523 60.1473 38.4893 175.2532 6 P 4.0876 0.0000 0.0000 62.3911 31.6794 176.8999 7 K 4.0994 8.5571 124.9449 57.3357 32.7701 175.3179 8 I 3.8917 7.5857 109.7195 62.9093 37.8853 175.9845 9 I 3.9616 7.3442 123.0586 59.9738 37.2072 174.7223 10 P 4.5481 0.0000 0.0000 61.6608 33.5224 175.2155 11 P 4.2314 0.0000 0.0000 65.9930 31.2407 178.4696 12 E 3.9521 8.1696 117.4008 59.3030 29.4978 178.5248 13 L 4.0369 7.8704 119.8858 57.7450 42.2362 178.4106 14 L 3.9526 7.9932 120.6156 57.9061 41.9816 178.8364 15 K 3.9222 8.1197 119.5446 59.4863 31.9322 178.7339 16 V 3.9385 7.6187 117.1143 66.3748 31.5491 177.7402 17 L 4.2925 8.1275 117.5003 58.0035 41.4903 179.0427 18 C 4.3720 8.0534 116.3797 61.7641 29.4967 175.1930 19 E 4.2680 8.0198 120.6214 55.4275 26.8147 175.2082 *21 G 3.5603 7.6721 112.6891 45.7915 0.0000 168.5872 22 H 4.3254 8.5288 118.8092 58.4428 29.6849 175.2882 23 G 3.9690 8.9619 116.5419 45.2495 0.0000 173.3868 24 D 4.6046 7.9823 119.5145 54.5857 42.0823 175.5578 25 Q 5.4640 8.7608 119.6216 54.0887 32.5647 174.4432 26 L 5.2714 8.9732 121.8922 53.9665 44.4943 175.1572 27 V 4.6466 8.4974 120.3604 61.2477 34.1141 174.4381 28 I 4.4556 8.8856 129.4165 60.2614 38.3829 174.4855 29 A 4.6167 8.7481 130.8212 50.2134 20.8335 176.6019 30 D 4.7629 9.5097 123.2903 52.5599 40.8392 177.8176 31 G 3.7004 9.0174 108.1810 48.4588 0.0000 174.5005 32 N 4.5994 7.8816 115.4087 53.7550 39.0906 175.3158 33 F 4.4362 7.9977 121.5829 57.1979 40.6008 174.2973 34 P 4.4568 0.0000 0.0000 61.8221 29.7349 176.5649 35 A 4.3429 8.0549 128.1219 56.1920 19.2944 180.2328 36 E 4.0111 8.2300 114.4079 59.3787 29.7215 179.3025 37 S 4.2252 7.8672 113.8455 61.6148 63.1105 176.3955 38 I 3.8277 7.6276 122.7309 63.4421 37.0151 177.0331 39 G 4.0431 8.2723 110.0197 46.0538 0.0000 176.1709 40 K 3.9258 7.7238 124.2976 57.0081 31.6302 181.0697 41 N 4.8095 8.1067 113.1555 52.7264 38.6611 173.4961 42 A 4.7155 7.8949 120.6307 49.8356 22.7250 176.2125 43 I 3.9962 7.9038 119.5852 60.7258 38.2976 175.7443 44 V 4.6161 8.3377 127.7417 61.3263 32.9127 174.7949 45 V 4.3515 8.5795 128.6514 61.2688 33.3821 175.7621 46 R 4.4403 8.4838 126.9233 55.9733 31.1712 175.9475 *48 D 4.6225 8.6651 118.4133 54.3189 43.3403 177.5835 49 G 3.8643 8.1805 102.6933 46.6414 0.0000 173.4753 50 H 5.1052 7.9926 117.6922 53.5317 32.0386 173.9566 51 G 4.4061 8.4191 109.1178 43.7305 0.0000 175.3817 52 G 4.2350 8.7456 108.9656 47.2146 0.0000 176.4251 53 G 3.8183 8.2688 107.9593 47.5516 0.0000 175.1026 54 E 3.9616 8.2284 121.5468 59.0326 29.6186 178.8587 55 I 3.6307 7.6785 119.4350 64.1907 37.1034 178.0617 56 L 3.7737 8.3026 121.5371 58.0166 41.6652 178.7915 57 K 3.8647 8.1078 118.1358 59.5078 32.2833 178.1748 58 A 4.1247 7.8874 120.7334 55.2321 18.3272 179.5667 59 I 3.6108 7.8492 118.4337 64.6712 37.0160 178.7761 60 L 4.0913 7.9349 118.2915 57.3986 41.4068 179.3029 61 T 4.0560 7.5188 109.4037 63.7053 68.7825 175.2788 62 V 4.2788 7.7403 111.8000 60.5367 33.1346 175.0734 63 F 4.6393 7.9519 121.7634 55.1896 40.8180 172.1286 64 P 4.4833 0.0000 0.0000 62.5694 32.4882 175.5817 65 L 4.7371 8.4396 123.2256 54.0309 42.7446 176.2026 66 D 4.5286 8.6804 123.8423 55.1908 41.2208 176.3307 67 T 4.3538 8.8666 115.0124 62.4130 69.5795 174.8502 68 Y 4.2398 8.8117 119.6702 58.9196 38.3892 175.5649 69 V 4.5777 7.3735 112.2700 58.9868 35.2174 175.0645 70 D 4.5269 8.9230 121.9300 57.0648 41.1846 177.3796 71 K 4.6284 7.5092 117.4665 53.8278 32.5964 174.0166 72 P 4.5774 0.0000 0.0000 63.8291 33.0065 176.0958 73 A 5.2402 8.0960 123.4145 50.5283 21.9374 175.5400 74 T 5.0209 8.8694 117.9314 60.7733 72.4549 172.2708 75 L 5.1515 8.9163 128.3915 54.6848 42.9836 178.5063 *77 E 4.3584 8.8037 126.1706 56.6744 30.3972 174.7963 78 K 2.8190 8.4792 122.0743 55.9160 32.9538 177.6779 79 V 3.8310 8.1546 115.9956 60.4199 32.1497 174.1526 80 P 4.3562 0.0000 0.0000 64.7601 31.4183 176.9685 81 G 3.9179 9.0667 111.5678 45.0920 0.0000 172.4155 82 D 4.6572 7.7934 120.0963 53.5709 41.5716 175.7889 83 T 4.5081 8.3450 115.6764 61.0213 69.2548 174.6271 84 V 3.6221 7.3822 120.2965 61.9522 31.7691 175.9689 85 A 4.0100 8.2925 125.5483 52.4701 19.7620 177.7403 86 T 4.2923 7.5234 109.2496 59.1635 68.3379 173.3626 87 P 4.2246 0.0000 0.0000 66.0760 31.8759 178.2286 88 I 3.4704 7.5312 118.2194 63.4592 37.7876 177.5504 89 W 4.4081 7.9105 119.8831 59.9271 28.7934 178.0862 90 D 4.4642 8.1745 118.4473 57.1372 40.3265 178.7178 91 V 3.6078 7.4558 118.9310 66.3654 31.6577 177.7052 92 Y 4.4676 8.3925 116.5925 61.1076 37.7110 178.4163 93 A 4.1854 8.4146 121.8499 55.2124 18.2801 179.8363 94 G 3.6609 8.1349 103.0457 48.0880 0.0000 175.6108 95 L 4.2404 8.1890 121.4914 57.5468 41.5759 179.6413 96 I 3.7887 8.2074 120.2113 64.2484 35.4779 178.3780 97 K 4.1653 8.3115 120.1621 59.1731 31.7364 178.4661 98 E 4.1161 7.8837 117.3866 58.5967 29.4062 177.0413 99 H 4.8409 7.5602 112.3346 55.0076 31.4016 173.1817 100 D 4.7760 8.5336 119.6354 51.8544 43.5892 175.8435 101 E 4.0599 9.0330 124.7705 59.2143 29.8429 178.5132 102 R 4.0633 8.8252 119.1384 56.9357 31.6016 178.0736 103 G 3.7290 7.9719 106.5323 46.2495 0.0000 177.1446 104 A 4.0544 8.6407 126.7388 54.8049 18.2604 179.3506 105 D 4.4357 7.9536 114.4454 56.4403 41.1322 177.0196 106 A 4.4590 8.1338 121.6296 52.4870 19.0905 176.4770 107 I 4.7811 7.6689 117.8580 59.4153 38.9602 175.2841 108 G 4.5262 8.8070 115.1101 44.9960 0.0000 171.8151 109 S 5.2709 8.2906 112.3828 57.2266 65.9625 173.5778 110 L 4.9251 8.6986 120.3514 52.5363 45.3784 176.3273 111 E 3.9533 8.9714 123.0630 56.8146 30.5965 177.2531 112 R 3.5683 9.0708 125.3332 60.1195 29.9544 178.9002 113 F 4.2217 8.5331 116.2486 60.2775 38.9607 177.5274 114 A 4.1436 8.8335 120.9979 54.8428 18.0420 179.4192 115 F 3.9233 8.7593 119.7044 61.7439 39.6150 176.8092 116 Y 4.6707 7.9514 116.3313 61.4072 37.4697 178.6457 117 E 4.0588 8.2106 118.1859 59.6503 29.9240 178.9654 118 Q 4.0553 8.3516 119.3616 59.1293 29.1295 178.1091 119 A 3.9779 8.3937 122.0176 54.7857 18.1769 179.5945 120 K 4.2885 7.9475 115.9596 58.9028 32.1510 178.0904 121 N 4.6852 7.9252 114.6863 52.3698 39.1758 175.2483 122 A 4.2481 7.2284 124.1325 52.0718 19.3869 177.3171 123 Y 4.3141 9.0076 122.7259 60.5542 40.1805 175.4249 124 C 5.0691 7.9933 118.1642 57.8280 35.5778 172.6888 125 V 4.6878 8.8186 125.8369 61.2080 33.8637 174.0718 126 I 4.6600 8.9308 129.1554 59.8111 38.8526 175.0222 127 A 4.7024 8.9191 131.5931 50.9120 18.2042 176.9870 128 S 4.3937 8.7843 116.8877 58.4402 64.9381 174.4422 129 G 4.6244 8.4383 104.3746 45.1268 0.0000 173.5381 130 E 4.0899 8.3682 122.8963 56.3921 29.7915 178.0218 131 S 4.2573 8.6837 120.7308 60.0898 63.9266 174.6976 132 A 4.0306 8.1064 124.6436 52.0423 18.5193 177.3871 133 Q 4.0215 8.4348 121.4091 56.6724 29.4978 175.0415 134 Y 3.6422 7.6555 114.2094 59.6740 35.4872 170.7993 135 A 4.9905 8.3792 117.3549 52.0574 19.9468 177.9338 136 N 4.8408 8.1424 115.0176 54.2972 39.9747 174.7130 137 L 4.9282 8.8708 123.7438 53.8354 45.8866 174.7204 138 I 4.6695 8.9586 127.7732 60.1319 39.0935 174.6644 139 L 5.1745 9.0270 126.5488 52.9220 45.1006 175.0225 140 Q 5.1243 8.9454 124.8447 54.1628 31.3482 174.4489 141 K 3.7948 9.2801 128.9016 56.3946 33.3660 176.5695 142 G 3.9613 8.1859 115.7998 45.5359 0.0000 173.1602 143 V 4.1562 8.1337 113.4872 60.1216 33.3191 176.4801 144 V 3.9221 8.0307 114.8227 61.5593 31.6925 175.9369 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 5 I 8.02 4.15 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 1.07 0.92 0.00 0.00 6 P 0.00 4.09 0.00 2.24 1.98 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 7 K 8.56 4.10 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 8 I 7.59 3.89 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.91 0.00 0.00 9 I 7.34 3.96 1.96 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 1.33 0.51 0.91 0.00 0.00 10 P 0.00 4.55 0.00 2.27 2.18 0.00 3.71 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 2.07 2.06 0.00 11 P 0.00 4.23 0.00 2.18 2.16 0.00 3.61 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 2.12 2.16 0.00 12 E 8.17 3.95 0.00 2.04 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 2.39 2.38 0.00 13 L 7.87 4.04 0.00 1.80 1.78 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.99 3.95 0.00 1.83 1.82 0.94 0.43 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 15 K 8.12 3.92 0.00 1.90 2.01 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.49 7.81 16 V 7.62 3.94 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 1.13 0.00 0.00 1.04 0.00 0.00 17 L 8.13 4.29 0.00 1.70 1.86 0.94 0.92 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 18 C 8.05 4.37 0.00 3.12 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 19 E 8.02 4.27 0.00 2.10 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 2.65 2.29 0.00 *21 G 7.67 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.33 0.00 2.89 3.10 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.96 3.97 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 0.00 0.00 0.00 24 D 7.98 4.60 0.00 2.69 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 25 Q 8.76 5.46 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 26 L 8.97 5.27 0.00 1.74 1.72 0.62 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.50 4.65 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 0.52 0.00 0.00 0.86 0.00 0.00 28 I 8.89 4.46 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 0.85 0.00 0.00 29 A 8.75 4.62 1.15 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 30 D 9.51 4.76 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.02 3.70 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 0.00 0.00 0.00 32 N 7.88 4.60 0.00 2.74 2.85 0.00 0.00 6.96 7.35 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 33 F 8.00 4.44 0.00 3.28 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 34 P 0.00 4.46 0.00 1.90 1.90 0.00 2.43 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.19 0.00 35 A 8.05 4.34 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 36 E 8.23 4.01 0.00 1.94 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 2.33 2.31 0.00 37 S 7.87 4.23 0.00 3.96 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 38 I 7.63 3.83 2.08 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 1.19 0.25 1.16 0.00 0.00 39 G 8.27 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 0.00 0.00 0.00 40 K 7.72 3.93 0.00 1.73 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.30 7.81 41 N 8.11 4.81 0.00 2.68 2.83 0.00 0.00 6.62 7.35 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 42 A 7.89 4.72 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 43 I 7.90 4.00 1.67 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.29 0.88 0.00 0.00 44 V 8.34 4.62 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 0.85 0.00 0.00 1.02 0.00 0.00 45 V 8.58 4.35 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 1.00 0.00 0.00 0.93 0.00 0.00 46 R 8.48 4.44 0.00 1.75 2.11 0.00 3.47 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *48 D 8.67 4.62 0.00 2.70 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 49 G 8.18 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.99 5.11 0.00 3.18 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.42 4.41 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 0.00 52 G 8.75 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 53 G 8.27 3.82 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 0.00 54 E 8.23 3.96 0.00 2.08 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 2.36 2.42 0.00 55 I 7.68 3.63 1.98 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 1.38 0.56 0.84 0.00 0.00 56 L 8.30 3.77 0.00 1.51 1.82 0.73 0.59 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 57 K 8.11 3.86 0.00 1.90 1.99 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 58 A 7.89 4.12 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 59 I 7.85 3.61 1.83 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 1.67 0.72 0.50 0.00 0.00 60 L 7.93 4.09 0.00 1.45 1.43 0.98 1.23 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 61 T 7.52 4.06 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 1.27 0.00 0.00 62 V 7.74 4.28 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 0.71 0.00 0.00 1.04 0.00 0.00 63 F 7.95 4.64 0.00 2.89 2.94 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 64 P 0.00 4.48 0.00 2.04 2.08 0.00 3.28 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 65 L 8.44 4.74 0.00 1.60 1.69 0.97 1.24 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 66 D 8.68 4.53 0.00 2.97 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.87 4.35 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 68 Y 8.81 4.24 0.00 3.10 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 69 V 7.37 4.58 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 0.99 0.00 0.00 70 D 8.92 4.53 0.00 2.61 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 71 K 7.51 4.63 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.39 7.81 72 P 0.00 4.58 0.00 2.16 2.47 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 73 A 8.10 5.24 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 74 T 8.87 5.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 75 L 8.92 5.15 0.00 1.20 0.29 -0.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.80 4.36 0.00 1.87 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 2.18 2.30 0.00 78 K 8.48 2.82 0.00 1.53 1.43 0.00 1.69 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 1.03 7.81 79 V 8.15 3.83 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 0.85 0.00 0.00 1.06 0.00 0.00 80 P 0.00 4.36 0.00 2.07 2.05 0.00 3.75 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 2.08 2.14 0.00 81 G 9.07 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 82 D 7.79 4.66 0.00 2.75 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 83 T 8.34 4.51 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 84 V 7.38 3.62 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 0.82 0.00 0.00 0.92 0.00 0.00 85 A 8.29 4.01 1.15 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 86 T 7.52 4.29 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 0.55 0.00 0.00 87 P 0.00 4.22 0.00 2.20 2.27 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 88 I 7.53 3.47 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.94 0.78 0.00 0.00 89 W 7.91 4.41 0.00 3.52 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 90 D 8.17 4.46 0.00 2.85 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 91 V 7.46 3.61 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 92 Y 8.39 4.47 0.00 3.19 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 93 A 8.41 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.13 3.66 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 0.00 0.00 0.00 95 L 8.19 4.24 0.00 1.96 1.80 1.11 0.58 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 96 I 8.21 3.79 1.98 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 1.42 0.80 1.00 0.00 0.00 97 K 8.31 4.17 0.00 2.01 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 98 E 7.88 4.12 0.00 2.15 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 0.00 2.34 2.58 0.00 99 H 7.56 4.84 0.00 3.17 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.53 4.78 0.00 2.64 2.48 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 0.00 101 E 9.03 4.06 0.00 2.11 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 0.00 2.28 2.35 0.00 102 R 8.83 4.06 0.00 2.00 2.02 0.00 3.28 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 103 G 7.97 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 0.00 0.00 0.00 104 A 8.64 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 0.00 105 D 7.95 4.44 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.13 4.46 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 0.00 107 I 7.67 4.78 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.82 0.00 0.00 108 G 8.81 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.29 5.27 0.00 3.71 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 0.00 110 L 8.70 4.93 0.00 1.71 1.66 0.86 1.05 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 0.00 111 E 8.97 3.95 0.00 2.07 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 2.46 2.36 0.00 112 R 9.07 3.57 0.00 1.80 1.77 0.00 3.10 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.97 0.00 113 F 8.53 4.22 0.00 3.45 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 0.00 114 A 8.83 4.14 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 0.00 115 F 8.76 3.92 0.00 3.17 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 0.00 116 Y 7.95 4.67 0.00 3.35 2.94 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 0.00 117 E 8.21 4.06 0.00 2.22 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 0.00 2.72 2.57 0.00 118 Q 8.35 4.06 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 119 A 8.39 3.98 1.57 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 0.00 0.00 120 K 7.95 4.29 0.00 2.00 1.93 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.77 7.81 121 N 7.93 4.69 0.00 2.83 2.87 0.00 0.00 6.95 6.91 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 0.00 122 A 7.23 4.25 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 0.00 123 Y 9.01 4.31 0.00 3.10 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 0.00 124 C 7.99 5.07 0.00 3.03 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 0.00 125 V 8.82 4.69 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 1.09 0.00 0.00 1.00 0.00 0.00 126 I 8.93 4.66 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.89 0.00 0.00 127 A 8.92 4.70 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 0.00 128 S 8.78 4.39 0.00 4.11 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 0.00 129 G 8.44 4.62 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 0.00 0.00 0.00 130 E 8.37 4.09 0.00 2.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 131 S 8.68 4.26 0.00 4.01 3.97 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 0.00 132 A 8.11 4.03 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 0.00 133 Q 8.43 4.02 0.00 1.99 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 134 Y 7.66 3.64 0.00 3.29 3.42 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 0.00 135 A 8.38 4.99 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 0.00 136 N 8.14 4.84 0.00 2.13 2.55 0.00 0.00 6.76 7.85 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 0.00 137 L 8.87 4.93 0.00 1.47 1.23 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.96 4.67 1.71 0.00 0.00 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 0.85 0.11 0.84 0.00 0.00 139 L 9.03 5.17 0.00 1.28 1.60 0.62 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.95 5.12 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 141 K 9.28 3.79 0.00 1.49 1.59 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.58 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.93 0.21 7.81 142 G 8.19 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 0.00 143 V 8.13 4.16 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 0.25 0.00 0.00 0.93 0.00 0.00 144 V 8.03 3.92 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 0.59 0.00 0.00 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.