NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8200 8.3129 109.7467 45.4067 0.0000 176.1928 *2 K 4.2545 9.2634 122.2344 53.5259 34.2384 176.4234 3 D 4.8148 7.6331 119.6237 52.1797 41.6225 175.7689 4 T 4.3657 8.3246 114.8031 62.4187 69.1557 175.0979 5 D 4.6897 8.2753 121.3292 54.3746 41.9098 176.0898 6 E 4.1875 7.9876 121.7900 55.6859 30.2622 175.5077 7 T 4.6129 8.5359 123.0561 63.4476 69.1985 174.0234 8 A 4.8457 9.2305 127.5965 51.7513 21.9278 175.4641 9 F 5.1787 8.2321 117.2690 56.4607 43.3032 173.0172 10 L 5.3586 8.9078 127.0343 53.2784 45.8437 174.3545 11 N 5.3518 9.3874 123.6843 52.0008 42.1025 172.8742 12 S 4.8780 9.6026 123.5692 56.9750 64.6350 173.2379 13 L 5.1521 8.2020 124.5512 53.1977 44.8181 175.5225 14 F 5.3586 8.5161 118.9968 55.0381 44.2697 173.1378 *16 D 4.8694 8.4200 117.6612 54.5773 42.5809 175.1243 17 F 5.1957 9.1797 119.8799 55.6871 42.6805 176.6000 18 T 3.8923 8.9015 111.4972 64.4065 69.1494 174.6200 19 S 4.3165 7.5023 113.6626 55.8798 67.3643 174.7722 20 E 3.9366 8.3873 120.7607 59.3994 29.1181 179.2713 21 N 4.3626 8.0019 116.2461 56.3650 38.6682 177.1024 22 E 3.9628 8.1759 119.9384 58.8122 29.5486 179.1871 23 L 2.4400 7.5019 120.5663 57.6287 42.1513 178.7681 24 E 3.8028 8.3224 118.8532 59.2796 29.4045 179.1804 25 L 3.7172 7.5866 120.2554 57.8394 42.0007 178.5925 26 F 3.6699 7.4835 120.4812 61.2342 39.3054 176.9916 27 L 3.8050 7.7337 118.3418 57.7360 41.4688 179.8364 28 K 3.8961 7.9338 118.1826 59.6226 31.6052 179.6503 29 S 4.1034 8.3217 115.7580 61.3771 62.6854 176.6652 30 L 3.6237 7.8015 123.3860 58.1189 41.6057 178.4829 31 D 4.3914 7.7852 116.7384 57.4081 41.1564 177.7268 32 E 4.1363 8.0143 118.3226 58.7471 29.5718 178.7306 33 V 4.5384 7.2460 109.2113 60.3221 32.8856 176.5303 34 W 4.5569 8.0931 129.1325 55.2826 30.8189 176.1087 35 S 4.6265 7.6792 121.7426 57.4266 65.2437 174.4160 36 E 4.2896 8.7113 122.1184 59.2214 29.3890 178.0590 37 D 4.3320 8.1717 118.0263 57.1282 41.2442 177.8755 38 L 3.7216 7.7345 120.4681 58.3278 42.0083 178.2569 39 Y 4.5258 7.6415 116.6356 61.5701 37.9832 178.8429 40 S 4.1865 8.5631 113.9926 61.6422 62.3295 176.4887 41 R 4.0163 8.0475 120.6514 58.9794 29.8378 178.9136 42 L 4.0507 8.4555 119.3509 57.8221 41.7708 179.4438 43 S 4.8254 8.9214 114.6082 61.0148 62.1730 176.1190 44 A 4.1156 7.9452 121.4627 54.2934 18.3852 178.4951 45 A 4.3978 8.4182 118.5662 52.3108 19.2360 177.0758 46 G 3.4784 7.4194 107.6328 44.7004 0.0000 173.2270 47 L 4.5198 8.5156 125.6374 55.4990 42.5066 176.9785 48 I 4.1966 8.9913 127.4899 62.8908 38.7217 176.2105 49 R 4.6616 7.5519 120.0383 55.1519 33.8194 173.2815 50 H 5.1101 8.5536 123.7590 54.5851 32.5381 172.2958 51 V 4.3024 8.4360 125.9856 60.9484 33.9822 174.6241 52 I 4.7729 8.1091 127.2355 59.4691 39.9190 174.9269 53 S 4.7411 9.0888 120.5018 56.5614 66.8401 172.8244 54 K 4.7784 8.4802 120.5763 55.0350 33.4445 176.5296 55 V 3.7828 8.6259 127.9492 62.9991 32.0474 176.2735 *56 W 4.5859 8.6590 129.9943 56.9505 29.1447 175.5870 57 N 4.7743 7.8088 125.4208 54.0448 36.8297 180.5684 *59 E 4.7763 8.3151 105.9600 57.9582 30.6150 172.6409 60 Q 4.2688 7.7500 121.7245 55.8627 30.7314 176.3811 61 H 5.3005 8.3279 117.0145 53.4325 28.2903 172.6499 62 R 5.1583 7.9139 120.2694 54.3809 34.2146 174.1014 63 I 5.0416 8.5883 124.6918 59.8850 40.6394 175.0929 64 S 5.1485 8.8813 122.4853 55.8000 66.7096 172.7744 *66 V 4.1965 8.0133 118.8225 63.2077 32.6876 173.9984 67 F 5.2168 9.3310 126.7601 55.7047 41.8755 174.2030 68 E 5.1080 9.1239 123.2476 54.7941 32.1833 174.8042 69 Y 5.5562 9.1464 121.4291 56.1124 42.0181 176.1684 70 D 5.1300 9.6118 120.7716 54.7622 40.3921 175.8843 71 S 4.6171 7.7502 112.7290 56.3981 65.2032 176.9305 72 K 2.7851 8.1475 121.0056 59.1009 31.6067 177.9834 73 E 3.8877 8.1181 119.2793 59.3021 29.5347 178.8865 74 G 3.8468 8.3039 106.0174 47.6391 0.0000 174.8924 75 Y 2.4470 7.4671 121.8326 60.0162 38.8287 178.2176 76 Q 3.4586 7.8261 118.8980 58.7775 28.8326 178.9224 77 K 3.8407 8.0888 120.8242 59.6738 32.2129 178.6789 78 C 4.1506 7.8804 117.0749 62.6359 27.9715 176.0502 79 Q 3.7900 7.7456 119.9119 58.9067 28.2479 178.6429 80 E 3.8713 7.8607 119.3168 59.2642 29.5136 179.5390 81 I 3.5416 7.6250 119.8150 64.4301 37.0972 178.5046 82 I 3.3735 7.5752 120.5652 64.2297 36.6622 177.9658 83 D 4.4075 7.8788 117.8393 57.3834 41.2037 178.2315 84 K 4.0765 7.6490 116.7463 58.2973 32.1232 178.6988 85 E 3.6188 7.4109 119.5102 57.3211 29.8663 176.5885 86 F 5.0494 6.7064 114.5825 55.2661 41.6775 176.2146 87 G 3.9450 8.4793 110.7428 44.2336 0.0000 174.9404 88 I 3.7957 8.2082 120.9688 64.5078 37.0729 179.0179 89 T 3.8642 7.8384 116.3339 66.3922 68.2567 176.4020 90 L 3.9580 7.8427 121.8004 57.9380 42.2171 178.6506 91 K 3.9062 8.3753 118.8952 59.7608 32.0766 179.0398 92 E 3.9096 8.4216 118.7314 59.1655 29.1606 179.1337 93 K 3.6492 7.7724 118.3335 59.5812 32.6319 178.4493 94 L 4.4920 8.2958 121.6842 58.5690 41.7002 180.3120 95 K 4.0564 8.3122 123.7608 59.6834 31.3325 180.7278 96 K 4.1265 7.8451 119.2000 59.4982 32.0606 178.6639 97 F 4.8227 7.6858 117.2357 58.9980 39.1875 175.7579 98 V 3.7231 7.0486 118.0779 61.4580 32.3068 175.9162 *99 F 4.1038 8.8412 129.3327 60.7415 38.6797 176.9540 *100 K 4.3043 7.2215 118.0356 54.4494 35.2220 176.5630 101 I 4.4480 8.4538 126.6003 59.5530 38.6997 174.7604 102 H 4.9839 9.3737 124.5112 53.9509 31.3682 172.7496 103 N 5.3272 8.9626 121.5079 51.8461 41.2471 173.0617 104 N 5.0461 9.3437 123.5930 51.5703 41.7050 173.3862 105 R 4.7597 8.6664 123.8699 53.9818 33.4556 174.7702 106 G 3.7034 7.2130 111.1020 46.1660 0.0000 171.5246 107 V 4.5768 8.0243 119.4025 60.4730 32.7827 176.4268 108 V 3.7722 8.3675 124.3781 62.8464 31.9852 175.8533 109 V 4.1520 8.1737 125.6590 64.0062 32.7870 175.5205 110 S 4.6423 7.5264 110.5858 57.2545 64.9244 173.2083 111 E 4.6760 8.6142 126.1139 54.5049 32.4308 173.9352 112 F 4.8573 8.8919 127.5754 56.2590 41.7293 174.1905 113 I 4.2151 7.1571 127.6392 58.9209 40.1171 175.5838 114 R 3.9257 8.1342 121.3849 56.0414 30.3764 176.7310 115 S 4.3221 8.3631 113.1680 58.6919 63.1782 174.4348 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 0 G 8.31 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 *2 K 9.26 4.25 0.00 1.81 1.78 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 3 D 7.63 4.81 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.32 4.37 4.27 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 1.30 0.00 0.00 5 D 8.28 4.69 0.00 2.84 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 6 E 7.99 4.19 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 7 T 8.54 4.61 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 1.32 0.00 0.00 8 A 9.23 4.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.23 5.18 0.00 3.18 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 10 L 8.91 5.36 0.00 1.67 1.35 0.93 0.42 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 11 N 9.39 5.35 0.00 3.01 2.98 0.00 0.00 6.91 7.15 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 12 S 9.60 4.88 0.00 3.79 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 13 L 8.20 5.15 0.00 1.59 1.58 1.22 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.52 5.36 0.00 3.02 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 *16 D 8.42 4.87 0.00 2.55 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 9.18 5.20 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 18 T 8.90 3.89 4.29 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 1.26 0.00 0.00 19 S 7.50 4.32 0.00 4.00 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 20 E 8.39 3.94 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 21 N 8.00 4.36 0.00 2.78 2.83 0.00 0.00 7.18 7.66 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 22 E 8.18 3.96 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 23 L 7.50 2.44 0.00 1.34 1.56 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.32 3.80 0.00 1.86 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 2.24 2.41 0.00 25 L 7.59 3.72 0.00 1.65 1.15 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.48 3.67 0.00 3.17 2.87 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 0.00 0.00 0.00 27 L 7.73 3.81 0.00 1.80 1.62 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.93 3.90 0.00 1.69 1.78 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.49 7.81 29 S 8.32 4.10 0.00 3.75 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 30 L 7.80 3.62 0.00 1.10 1.50 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.79 4.39 0.00 2.81 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 32 E 8.01 4.14 0.00 2.20 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 2.35 2.52 0.00 33 V 7.25 4.54 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 0.76 0.00 0.00 0.84 0.00 0.00 34 W 8.09 4.56 0.00 3.63 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 35 S 7.68 4.63 0.00 4.12 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 36 E 8.71 4.29 0.00 2.29 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 2.37 1.93 0.00 37 D 8.17 4.33 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 38 L 7.73 3.72 0.00 1.44 1.39 0.58 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.64 4.53 0.00 3.33 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 40 S 8.56 4.19 0.00 3.94 4.10 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 41 R 8.05 4.02 0.00 1.86 1.91 0.00 3.12 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 42 L 8.46 4.05 0.00 1.99 1.92 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.92 4.83 0.00 4.08 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 44 A 7.95 4.12 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 45 A 8.42 4.40 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 46 G 7.42 3.48 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 0.00 47 L 8.52 4.52 0.00 2.07 1.83 1.01 1.23 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 48 I 8.99 4.20 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.92 0.00 0.00 49 R 7.55 4.66 0.00 1.80 1.65 0.00 3.22 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 50 H 8.55 5.11 0.00 3.17 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.44 4.30 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 0.74 0.00 0.00 0.82 0.00 0.00 52 I 8.11 4.77 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.87 0.00 0.00 53 S 9.09 4.74 0.00 3.81 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 54 K 8.48 4.78 0.00 1.65 1.78 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.40 7.81 55 V 8.63 3.78 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 0.70 0.00 0.00 1.06 0.00 0.00 *56 W 8.66 4.59 0.00 2.55 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 0.00 0.00 0.00 0.00 57 N 7.81 4.77 0.00 2.64 2.59 0.00 0.00 6.88 7.66 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 *59 E 8.32 4.78 0.00 2.01 1.85 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 2.13 1.87 0.00 60 Q 7.75 4.27 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.29 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 61 H 8.33 5.30 0.00 3.42 3.29 0.00 5.83 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.91 5.16 0.00 2.08 1.80 0.00 3.19 0.00 0.00 3.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 63 I 8.59 5.04 2.10 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 1.58 1.45 1.07 0.00 0.00 64 S 8.88 5.15 0.00 3.75 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 *66 V 8.01 4.20 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 1.04 0.00 0.00 0.85 0.00 0.00 67 F 9.33 5.22 0.00 3.13 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.12 5.11 0.00 1.81 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 0.00 2.22 2.22 0.00 69 Y 9.15 5.56 0.00 3.09 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 70 D 9.61 5.13 0.00 2.75 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 71 S 7.75 4.62 0.00 3.96 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 72 K 8.15 2.79 0.00 1.56 1.65 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.23 0.76 7.81 73 E 8.12 3.89 0.00 2.01 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 2.32 2.33 0.00 74 G 8.30 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 75 Y 7.47 2.45 0.00 2.40 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 76 Q 7.83 3.46 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 77 K 8.09 3.84 0.00 1.84 1.71 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 78 C 7.88 4.15 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.75 3.79 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 80 E 7.86 3.87 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 81 I 7.63 3.54 1.89 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 1.42 1.11 0.73 0.00 0.00 82 I 7.58 3.37 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 1.05 0.00 0.00 83 D 7.88 4.41 0.00 2.70 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 84 K 7.65 4.08 0.00 1.79 1.74 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.50 7.81 85 E 7.41 3.62 0.00 1.50 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 1.47 1.47 0.00 86 F 6.71 5.05 0.00 3.12 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 87 G 8.48 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 88 I 8.21 3.80 1.88 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 1.65 0.69 0.92 0.00 0.00 89 T 7.84 3.86 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 90 L 7.84 3.96 0.00 1.80 1.89 0.90 0.77 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 91 K 8.38 3.91 0.00 2.07 1.90 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.70 7.81 92 E 8.42 3.91 0.00 2.08 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 2.54 2.45 0.00 93 K 7.77 3.65 0.00 1.69 1.98 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.32 7.81 94 L 8.30 4.49 0.00 1.84 2.10 0.76 0.97 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 95 K 8.31 4.06 0.00 1.75 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.32 7.81 96 K 7.85 4.13 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 97 F 7.69 4.82 0.00 3.57 3.34 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 98 V 7.05 3.72 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 0.46 0.00 0.00 0.48 0.00 0.00 *99 F 8.84 4.10 0.00 2.55 2.29 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 *100 K 7.22 4.30 0.00 1.47 1.52 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.17 0.94 7.81 101 I 8.45 4.45 1.84 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 1.23 0.91 0.94 0.00 0.00 102 H 9.37 4.98 0.00 3.25 3.30 0.00 5.56 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 0.00 103 N 8.96 5.33 0.00 2.76 2.74 0.00 0.00 6.94 7.79 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 0.00 104 N 9.34 5.05 0.00 2.90 2.75 0.00 0.00 5.96 7.64 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 0.00 105 R 8.67 4.76 0.00 1.82 1.68 0.00 2.39 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 106 G 7.21 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 0.00 107 V 8.02 4.58 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 0.72 0.00 0.00 1.07 0.00 0.00 108 V 8.37 3.77 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 0.79 0.00 0.00 0.95 0.00 0.00 109 V 8.17 4.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 110 S 7.53 4.64 0.00 3.84 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 0.00 111 E 8.61 4.68 0.00 1.93 1.77 0.00 0.00 0.00 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 2.31 0.00 112 F 8.89 4.86 0.00 3.02 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 0.00 113 I 7.16 4.22 1.65 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 1.37 0.65 0.78 0.00 0.00 114 R 8.13 3.93 0.00 2.01 2.11 0.00 3.04 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 115 S 8.36 4.32 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.