NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4183 8.1627 118.3201 55.0586 33.3765 173.8941 2 M 3.9836 8.1528 120.7148 54.9143 32.0071 174.5015 3 R 4.4058 8.5197 126.1498 56.3800 32.3790 175.2450 4 F 4.8232 6.9646 113.9823 57.4057 39.9397 172.1022 5 M 5.1433 7.9944 117.3625 54.4121 35.9877 173.3227 6 L 5.0257 9.0969 122.8798 53.0571 46.8027 175.6969 7 L 5.0664 9.0984 120.4238 51.9205 44.9089 175.6654 8 F 5.7392 9.4569 118.2897 54.4569 41.7886 174.8025 9 S 4.5198 8.6567 115.4720 56.9679 64.5786 174.2042 10 R 3.3956 8.0000 119.9077 59.4770 29.7480 176.0838 11 Q 4.1558 7.6619 115.8704 54.9583 29.9775 176.4347 12 G 4.0408 8.5497 113.1011 45.5700 0.0000 173.9042 13 K 4.4571 7.6240 118.0197 54.1251 33.9128 176.4885 14 L 4.4976 8.5401 126.7250 55.1930 42.5315 176.3102 15 R 4.6068 9.2371 124.0519 55.6199 32.8659 175.5445 16 L 4.5612 7.0908 117.0994 54.3790 45.2194 172.6168 17 Q 4.9043 8.8056 124.6414 54.4206 31.8973 175.5644 18 K 4.4147 8.0108 122.1027 55.6220 35.4780 174.3536 19 W 5.1208 8.8868 128.3504 55.5155 30.2990 175.8905 20 Y 4.5229 8.6103 122.3555 57.1962 38.3534 175.7841 21 L 4.2225 8.5217 120.0080 54.8737 44.3881 173.8517 22 A 3.8503 7.7606 128.5604 51.4104 19.6046 176.3809 23 T 4.1236 7.5895 115.3441 61.5164 72.0279 174.0426 24 S 4.2036 8.4606 120.1034 57.9587 65.4689 174.3161 25 D 4.2690 8.5752 123.9186 58.0614 40.8695 178.3929 26 K 3.6932 8.1166 117.5383 59.9224 32.0377 178.0780 27 E 3.8364 7.9269 117.3569 60.4935 29.5681 178.8926 28 R 3.3142 7.8745 117.7085 57.9824 29.8172 178.7445 29 K 3.9521 7.8174 117.3237 60.5319 32.5090 177.9004 30 K 3.7218 9.0108 117.8298 59.8132 31.4976 179.3581 31 M 3.7726 8.6028 120.7215 56.2097 32.9505 179.0430 32 V 3.0326 9.3810 112.3786 66.9847 31.6661 178.2347 33 R 3.7134 5.8400 114.0575 59.4545 29.6198 177.9509 34 E 3.8060 8.3789 120.6513 58.6237 29.7697 178.8405 35 L 3.5572 8.4205 121.1031 57.6705 42.0001 179.0611 36 M 4.5944 7.4402 117.7058 58.7455 32.3338 178.1729 37 Q 3.9509 8.3204 119.5504 59.9671 28.9425 178.9848 38 V 3.6815 7.4981 118.6498 65.9914 31.7304 177.3388 39 V 3.5032 8.8584 119.6970 63.4083 31.2589 177.1224 40 L 4.2708 8.3776 119.4395 59.5399 42.4537 180.3186 41 A 3.9928 7.8281 119.9908 54.6416 19.0435 178.1071 42 R 4.2800 8.1407 115.7144 55.4012 31.2424 176.9120 43 K 4.1968 8.4930 121.1331 55.8167 32.6763 176.4826 44 P 4.4451 0.0000 0.0000 65.3718 31.7586 178.0962 45 K 4.0126 8.1873 118.1903 59.7235 32.0842 176.9682 46 M 4.1554 7.0889 114.6739 55.5712 32.0464 174.4745 47 C 4.4972 8.2358 113.8270 58.1040 32.2881 173.1613 48 S 5.4358 8.1125 114.1500 58.7568 64.2260 173.5925 49 F 5.8935 7.9217 118.3383 54.6436 41.8519 174.2435 50 L 4.8595 8.5101 123.8475 53.3280 46.0187 174.8345 51 E 4.9199 8.9011 124.4898 54.8510 30.4800 175.2526 52 W 4.7018 9.1522 135.0000 56.9415 34.1435 175.5608 53 R 2.8839 8.2970 122.7726 57.2781 27.2037 175.0658 54 D 4.8335 7.6803 124.0425 54.5908 42.0414 173.7480 55 L 4.5496 7.8603 118.0011 53.8247 43.4295 175.9412 56 K 4.9128 9.0622 120.7297 55.1493 33.9304 176.3383 57 V 4.4964 8.4767 118.1996 59.9753 34.7573 175.0547 58 V 5.3436 8.9418 121.7401 61.7053 35.3270 173.1313 59 Y 5.9983 8.7066 120.9545 57.3997 40.1541 173.3072 60 K 4.5492 8.5006 120.9692 54.7864 36.3718 174.6404 61 R 4.9537 8.7353 127.0586 55.6771 31.1616 175.2087 62 Y 4.4625 9.5997 125.4770 56.5250 39.4266 175.4523 63 A 3.5978 8.4261 132.4115 53.3916 17.5808 177.8914 64 S 4.3747 8.3901 103.4344 58.9636 63.4257 174.4964 65 L 4.6021 8.1770 122.4263 54.8908 45.7590 174.2536 66 Y 5.5090 9.1468 123.9811 56.5178 40.7743 174.5940 67 F 4.8605 8.8538 121.5304 56.0444 41.8478 174.3089 68 C 6.1660 9.0615 120.6328 57.4221 32.9591 172.6021 69 C 5.3541 8.2824 112.8790 58.6659 32.2703 172.1289 70 A 5.1823 7.8258 120.0401 50.2567 22.1702 175.0676 71 I 5.0289 9.3574 120.2360 58.1734 42.4801 174.2164 72 E 4.3201 8.7572 122.9700 56.2129 29.9446 178.7842 73 G 3.8514 8.5890 114.1536 48.6801 0.0000 173.7425 74 Q 4.2576 7.4261 121.7049 55.2703 28.5504 173.7340 75 D 4.5923 7.3086 115.3685 51.8311 45.2605 174.5227 76 N 4.5545 8.2956 120.0722 52.1860 38.7568 174.8021 77 E 3.5115 8.4026 126.9146 59.8754 29.5022 178.6078 78 L 4.0236 7.9530 116.8186 58.3828 41.5144 179.1109 79 I 3.6320 7.6687 118.7933 64.9007 38.2104 177.4438 80 T 3.9706 7.7322 116.0143 67.0450 68.4051 175.4950 81 L 4.1142 7.9764 121.3073 58.9313 41.8680 178.8394 82 E 4.0754 8.1879 117.9368 59.4348 29.6206 179.2570 83 L 4.1549 8.7949 121.3930 58.7410 42.1504 178.3754 84 I 3.6147 7.8644 117.9350 65.0801 37.1019 177.2950 85 H 3.9998 8.2831 118.6206 59.6417 29.7544 177.3768 86 R 3.8750 9.0487 121.6333 59.6349 30.0960 177.1801 87 Y 4.6243 8.4133 119.3600 61.3009 38.5787 178.4544 88 V 3.2348 7.5766 112.2070 64.9967 31.7247 177.6988 89 E 4.0294 8.1277 117.8563 60.4746 29.2174 178.4287 90 L 3.8452 8.5456 117.4499 57.9867 42.0224 180.0737 91 L 4.2349 8.3072 118.2726 58.6319 41.9533 178.5267 92 D 4.3606 9.2571 118.4327 58.1323 40.8102 177.9967 93 K 4.0720 8.4371 123.0071 58.8312 32.4958 178.2345 94 Y 4.2915 7.8860 119.0425 60.7199 39.0925 176.3897 95 F 4.7075 8.6737 114.5792 55.6647 39.6939 172.3421 96 G 3.6918 8.1110 115.6115 45.2616 0.0000 173.8093 97 S 4.4009 8.8853 117.5832 57.7135 61.3202 172.4374 98 V 3.8915 7.6294 124.1246 62.6128 32.7305 176.0865 99 C 4.5363 9.8592 120.2038 58.8349 34.1936 175.6655 100 E 3.1692 7.8538 122.6945 56.1625 32.0984 179.1279 101 L 3.7947 7.4165 118.0589 58.1196 43.2128 178.6637 102 D 4.4490 8.5538 118.8483 58.0678 40.3376 179.2446 103 I 3.7797 7.9599 119.6702 64.9175 36.9622 178.6322 104 I 3.6894 7.5011 118.9865 64.3746 37.2299 178.0723 105 F 4.2077 8.5426 117.2887 59.2769 38.9234 175.9101 106 N 5.4966 8.6701 115.9082 52.8983 40.1558 176.5538 107 F 4.3797 8.7875 116.1290 61.4350 37.8501 177.2028 108 E 3.3599 8.7627 116.7879 58.6412 29.6285 178.9400 109 K 4.5232 9.4125 119.6602 59.2234 32.5382 179.2571 110 A 4.2858 8.3833 120.2742 56.4664 18.4490 178.2162 111 Y 3.8741 9.4678 115.4778 60.5820 37.5627 179.6208 112 F 4.1231 7.7564 117.4192 61.1344 39.2736 177.8791 113 I 3.5102 8.4047 117.8431 65.3174 37.0679 177.5158 114 L 3.8611 8.7478 120.3866 58.9766 41.9759 179.1463 115 D 4.3297 8.7390 118.6762 57.0396 41.2301 177.8720 116 E 4.7660 8.7250 117.6283 56.1766 30.9708 176.2980 117 F 4.9533 9.4135 122.4671 59.1480 41.5033 174.7495 118 L 5.0430 7.7045 117.7128 53.1569 44.3924 175.3783 119 M 4.8405 8.7389 120.4594 55.1459 35.6595 174.9791 120 G 4.1177 9.9549 111.9572 46.8532 0.0000 173.8906 121 G 3.7026 9.8781 103.1285 45.5438 0.0000 173.0418 122 D 4.7090 7.9829 119.1882 53.1694 44.7635 173.6264 123 V 4.2582 8.1474 120.2305 62.3008 31.8651 176.0885 124 Q 4.3362 8.8418 125.9398 57.6891 29.3083 174.8658 125 D 4.8092 7.8263 116.4306 53.7364 45.0493 174.5729 126 T 4.3927 8.2038 107.0096 62.5731 71.0707 173.3725 127 S 3.9903 8.1861 116.7647 58.1621 62.3096 174.3379 128 K 3.7481 8.9418 128.1970 59.7776 32.2830 179.6616 129 K 3.9145 8.3596 117.3693 60.1799 32.7144 179.3923 130 S 4.0009 8.5522 113.6364 61.9571 62.4075 175.8906 131 V 3.6113 7.9961 121.3767 65.7915 31.1252 177.5686 132 L 3.6708 8.5555 115.1377 57.9981 41.8715 180.5864 133 K 4.3456 8.7695 118.3092 59.7685 32.4640 178.2230 134 A 4.0003 8.2642 121.5122 54.5848 18.0875 179.1226 135 I 3.5726 8.1814 117.1163 64.9180 38.4573 176.9991 136 E 4.0881 9.0184 120.0358 59.1505 28.7956 178.3397 137 Q 3.9801 8.4504 117.1245 59.2470 29.0499 179.3974 138 A 3.9817 8.1266 121.4163 55.4136 18.4009 179.0040 139 D 4.3013 8.0770 116.7629 57.8048 41.0321 179.3476 140 L 3.9463 7.4609 118.1092 57.8206 41.4044 179.3603 141 L 3.8849 7.6927 118.8070 58.3227 42.2974 178.1621 142 Q 4.0214 8.1346 118.7495 59.6145 28.7656 178.2393 143 E 3.9464 8.2914 119.0047 59.7765 29.5097 179.3127 144 E 4.4011 7.8478 116.6595 57.6883 29.4691 178.4714 145 D 4.5196 8.3695 119.7059 56.8783 41.2852 177.8541 146 E 4.3278 8.0588 118.1621 57.7385 30.2633 176.5834 147 S 4.5448 7.8449 118.0461 55.7275 62.5687 171.9073 148 P 4.2955 0.0000 0.0000 63.0740 30.5621 177.8253 *149 R 4.1254 7.6968 119.6636 57.2515 30.0134 177.2639 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 1 M 8.16 4.42 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 2 M 8.15 3.98 0.00 1.54 1.68 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.01 0.00 3 R 8.52 4.41 0.00 1.74 1.27 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 4 F 6.96 4.82 0.00 2.85 3.33 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 5 M 7.99 5.14 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.50 0.00 6 L 9.10 5.03 0.00 1.06 0.97 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.10 5.07 0.00 1.51 1.35 0.70 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.46 5.74 0.00 3.09 2.93 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 9 S 8.66 4.52 0.00 3.90 4.02 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 10 R 8.00 3.40 0.00 1.51 1.84 0.00 2.88 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 11 Q 7.66 4.16 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 12 G 8.55 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 13 K 7.62 4.46 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.32 7.81 14 L 8.54 4.50 0.00 1.63 1.60 0.95 0.84 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 15 R 9.24 4.61 0.00 1.61 1.88 0.00 3.40 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 16 L 7.09 4.56 0.00 1.69 1.39 -0.02 0.41 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 17 Q 8.81 4.90 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 18 K 8.01 4.41 0.00 1.85 1.68 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.58 1.75 7.81 19 W 8.89 5.12 0.00 3.24 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 20 Y 8.61 4.52 0.00 3.02 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 21 L 8.52 4.22 0.00 1.69 1.70 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.76 3.85 1.24 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 23 T 7.59 4.12 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 0.98 0.00 0.00 24 S 8.46 4.20 0.00 3.94 3.80 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 25 D 8.58 4.27 0.00 2.64 2.64 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 0.00 0.00 0.00 26 K 8.12 3.69 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 27 E 7.93 3.84 0.00 2.00 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 2.32 2.38 0.00 28 R 7.87 3.31 0.00 1.80 1.31 0.00 2.71 0.00 0.00 2.25 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 29 K 7.82 3.95 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.53 7.81 30 K 9.01 3.72 0.00 1.86 1.89 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.73 7.81 31 M 8.60 3.77 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.05 0.00 32 V 9.38 3.03 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 0.99 0.00 0.00 1.13 0.00 0.00 33 R 5.84 3.71 0.00 2.09 2.15 0.00 2.88 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 34 E 8.38 3.81 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 35 L 8.42 3.56 0.00 1.61 1.33 -0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.44 4.59 0.00 2.45 2.30 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.69 0.00 37 Q 8.32 3.95 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 V 7.50 3.68 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 0.80 0.00 0.00 0.91 0.00 0.00 39 V 8.86 3.50 2.36 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 0.88 0.00 0.00 0.91 0.00 0.00 40 L 8.38 4.27 0.00 1.91 1.93 1.02 1.56 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 41 A 7.83 3.99 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 42 R 8.14 4.28 0.00 1.92 1.95 0.00 3.15 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 43 K 8.49 4.20 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.39 7.81 44 P 0.00 4.45 0.00 2.16 2.19 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 45 K 8.19 4.01 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 46 M 7.09 4.16 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 47 C 8.24 4.50 0.00 2.90 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 48 S 8.11 5.44 0.00 3.24 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 0.00 49 F 7.92 5.89 0.00 2.91 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 50 L 8.51 4.86 0.00 1.61 1.41 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.90 4.92 0.00 1.93 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 2.27 2.33 0.00 52 W 9.15 4.70 0.00 3.28 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 53 R 8.30 2.88 0.00 0.67 0.66 0.00 2.96 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.14 0.00 54 D 7.68 4.83 0.00 2.70 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 55 L 7.86 4.55 0.00 1.57 1.57 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.06 4.91 0.00 1.54 1.60 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81 57 V 8.48 4.50 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 0.88 0.00 0.00 1.01 0.00 0.00 58 V 8.94 5.34 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 1.67 0.00 0.00 0.89 0.00 0.00 59 Y 8.71 6.00 0.00 2.91 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 60 K 8.50 4.55 0.00 1.96 1.94 0.00 1.87 0.00 0.00 2.12 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.49 7.81 61 R 8.74 4.95 0.00 2.08 1.90 0.00 3.35 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 62 Y 9.60 4.46 0.00 3.16 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 63 A 8.43 3.60 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 64 S 8.39 4.37 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.18 4.60 0.00 1.70 1.66 0.82 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.15 5.51 0.00 2.83 2.82 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 67 F 8.85 4.86 0.00 2.96 2.93 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 68 C 9.06 6.17 0.00 2.80 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 69 C 8.28 5.35 0.00 2.87 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 70 A 7.83 5.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 9.36 5.03 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.33 0.86 0.00 0.00 72 E 8.76 4.32 0.00 1.86 1.81 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 2.30 2.44 0.00 73 G 8.59 3.85 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 0.00 0.00 0.00 74 Q 7.43 4.26 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 75 D 7.31 4.59 0.00 2.75 2.33 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 76 N 8.30 4.55 0.00 2.78 2.66 0.00 0.00 6.85 7.65 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 77 E 8.40 3.51 0.00 1.32 1.12 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 1.54 2.00 0.00 78 L 7.95 4.02 0.00 1.73 1.78 0.98 0.87 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 I 7.67 3.63 2.01 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 1.64 0.62 0.91 0.00 0.00 80 T 7.73 3.97 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 1.17 0.00 0.00 81 L 7.98 4.11 0.00 1.95 2.00 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.19 4.08 0.00 2.25 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 0.00 2.42 2.53 0.00 83 L 8.79 4.15 0.00 1.69 1.94 0.79 0.01 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 84 I 7.86 3.61 1.92 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 1.77 0.86 0.56 0.00 0.00 85 H 8.28 4.00 0.00 3.29 3.52 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 9.05 3.87 0.00 2.09 2.34 0.00 3.12 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 1.76 1.65 0.00 87 Y 8.41 4.62 0.00 3.10 2.98 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 88 V 7.58 3.23 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 -0.28 0.00 0.00 1.06 0.00 0.00 89 E 8.13 4.03 0.00 2.36 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 2.32 2.47 0.00 90 L 8.55 3.85 0.00 2.03 1.73 0.80 0.87 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 91 L 8.31 4.23 0.00 1.70 1.64 -0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 D 9.26 4.36 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 93 K 8.44 4.07 0.00 1.86 1.91 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 94 Y 7.89 4.29 0.00 2.99 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 95 F 8.67 4.71 0.00 3.00 3.14 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 96 G 8.11 3.69 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 0.00 0.00 0.00 97 S 8.89 4.40 0.00 4.09 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 98 V 7.63 3.89 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 0.74 0.00 0.00 0.50 0.00 0.00 99 C 9.86 4.54 0.00 2.88 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 0.00 100 E 7.85 3.17 0.00 2.05 1.80 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 2.35 2.33 0.00 101 L 7.42 3.79 0.00 1.84 1.63 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.55 4.45 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.96 3.78 1.96 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 1.36 1.30 0.92 0.00 0.00 104 I 7.50 3.69 1.87 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 1.59 0.76 0.67 0.00 0.00 105 F 8.54 4.21 0.00 3.14 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 0.00 106 N 8.67 5.50 0.00 3.18 3.19 0.00 0.00 6.55 7.97 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 0.00 107 F 8.79 4.38 0.00 3.55 3.41 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 0.00 108 E 8.76 3.36 0.00 2.50 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 0.00 2.81 2.84 0.00 109 K 9.41 4.52 0.00 2.31 2.07 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.65 1.77 7.81 110 A 8.38 4.29 1.56 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 0.00 111 Y 9.47 3.87 0.00 2.92 2.53 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 0.00 112 F 7.76 4.12 0.00 3.40 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.40 3.51 2.32 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 1.16 0.00 0.00 114 L 8.75 3.86 0.00 1.10 1.63 0.11 0.88 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 0.00 115 D 8.74 4.33 0.00 2.67 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 0.00 116 E 8.72 4.77 0.00 2.15 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 2.34 2.40 0.00 117 F 9.41 4.95 0.00 2.77 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 0.00 118 L 7.70 5.04 0.00 1.48 1.37 0.42 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.74 4.84 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 120 G 9.95 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 0.00 121 G 9.88 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 0.00 122 D 7.98 4.71 0.00 2.63 2.52 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 0.00 123 V 8.15 4.26 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 1.02 0.00 0.00 0.87 0.00 0.00 124 Q 8.84 4.34 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.41 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 125 D 7.83 4.81 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.20 4.39 4.28 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 1.27 0.00 0.00 127 S 8.19 3.99 0.00 3.87 3.85 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 0.00 128 K 8.94 3.75 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 129 K 8.36 3.91 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 130 S 8.55 4.00 0.00 3.85 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 0.00 131 V 8.00 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 0.93 0.00 0.00 0.79 0.00 0.00 132 L 8.56 3.67 0.00 1.79 1.64 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.77 4.35 0.00 2.02 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 134 A 8.26 4.00 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 0.00 135 I 8.18 3.57 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 1.20 0.62 1.04 0.00 0.00 136 E 9.02 4.09 0.00 2.09 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 2.33 2.38 0.00 137 Q 8.45 3.98 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 138 A 8.13 3.98 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 0.00 139 D 8.08 4.30 0.00 2.94 2.76 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 0.00 0.00 0.00 140 L 7.46 3.95 0.00 1.95 1.73 0.92 0.47 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 0.00 141 L 7.69 3.88 0.00 1.61 1.81 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.13 4.02 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 143 E 8.29 3.95 0.00 2.21 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 2.33 2.37 0.00 144 E 7.85 4.40 0.00 2.13 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 2.35 0.00 145 D 8.37 4.52 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.06 4.33 0.00 1.95 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 2.29 2.46 0.00 147 S 7.84 4.54 0.00 3.93 3.79 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 0.00 148 P 0.00 4.30 0.00 2.17 2.14 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *149 R 7.70 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.