NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3265 8.1749 117.3698 62.5379 69.8485 173.5907 3 P 4.3269 0.0000 0.0000 61.7073 32.0554 174.8754 4 L 4.2072 9.0364 123.1493 55.0562 42.9502 176.1830 5 D 4.7180 8.5655 121.3663 54.0884 41.5783 175.9122 6 A 4.3049 8.2611 124.9600 52.1658 21.7168 175.8932 7 N 4.6188 8.8221 118.5997 51.4641 38.4573 175.0742 8 V 4.2653 8.3604 123.3489 60.1180 32.9608 174.6377 9 E 4.5360 8.6102 127.1842 54.4545 30.2060 175.7450 10 L 4.3228 8.1824 123.8607 53.3379 42.8493 176.3331 11 P 4.4540 0.0000 0.0000 62.4649 33.3251 177.6667 12 T 3.8808 8.5768 117.4463 67.4025 68.1758 176.5803 13 E 3.9814 8.0478 118.2126 59.2418 29.5979 179.1472 14 V 3.7143 7.6366 117.0799 65.9525 31.9425 177.7121 15 K 4.1269 8.3026 118.1568 59.2320 31.7758 179.4874 16 A 4.1174 7.9368 117.3871 53.0955 18.0658 179.0713 *18 I 4.0121 7.6846 123.0574 62.7358 39.1109 177.7640 19 E 3.9604 8.3783 120.0893 59.1960 29.4601 177.8801 20 Q 4.1464 7.7737 116.2211 57.5032 29.0864 176.2202 21 S 4.3770 7.5660 112.7318 58.0314 63.5143 174.2328 22 S 4.3510 8.3350 113.5906 59.1423 63.4904 174.8381 23 D 4.3560 7.7395 119.4079 52.6285 42.8516 174.8977 24 A 4.0053 8.3804 129.6561 54.7195 18.5151 178.5760 25 Q 3.8536 8.1536 117.4277 59.5870 29.2319 178.4801 26 A 3.9880 8.4414 121.3913 54.8629 18.3019 179.5130 27 A 3.9359 8.1588 119.5692 55.4737 18.3872 179.9905 28 T 3.7700 8.3397 114.4801 66.7483 68.4806 176.5952 29 A 4.0106 8.1224 122.6989 55.1062 18.2792 179.5230 30 L 3.9244 8.0934 118.6951 58.2915 42.2240 179.1532 31 V 3.5490 7.9605 118.3717 66.1780 31.4268 177.4982 32 N 4.3149 8.3446 116.1612 56.5963 38.3567 176.5775 33 Y 4.0714 8.3598 120.9836 60.8423 38.8014 178.4705 34 V 3.6140 8.2363 119.2441 65.9633 31.5706 177.9729 35 I 3.9058 7.9679 119.6257 64.5620 37.0307 178.6392 36 K 3.9651 8.1787 119.2713 59.1496 31.7177 179.2907 37 L 3.7449 8.0806 120.8427 58.0223 41.9281 178.8850 38 A 4.0256 8.4341 120.8601 55.1930 18.3798 179.4540 39 A 3.7901 8.2817 119.2083 55.1761 18.1882 179.6881 40 A 3.9651 7.9116 118.2828 54.9024 18.4731 178.7282 41 A 4.2345 7.3989 116.3221 51.3889 18.8771 176.9188 42 E 3.7314 8.0124 116.3387 58.1300 27.5072 174.4677 43 I 4.4189 7.7920 118.6987 59.6834 39.6462 175.3004 44 H 4.7441 8.3054 120.8156 53.8206 32.2012 172.6793 45 F 4.9924 8.4147 121.1512 55.8254 40.9266 176.7295 46 T 4.2119 8.8535 115.8779 61.6254 70.6553 175.4351 47 D 4.5477 8.6300 121.3663 57.4446 40.8737 179.1673 48 L 3.9911 7.8729 119.1228 57.9594 41.6874 179.2826 49 Q 4.0646 8.2543 117.9898 58.9425 28.5531 178.7495 50 L 3.7065 8.5697 121.7433 57.8623 42.0654 179.0277 51 Q 3.9269 8.0422 118.2010 59.0266 28.6963 179.0259 52 V 3.5970 7.6565 118.9599 65.7578 31.5509 177.7154 53 L 3.6950 8.1527 120.4622 58.4156 41.7954 179.0652 54 T 3.7519 7.9314 115.7691 66.5902 68.3694 175.9261 55 N 4.2278 8.1061 118.8829 57.1350 38.7105 176.3865 56 H 4.1656 7.7933 117.8518 59.1282 30.0237 176.8723 57 L 4.0509 8.0802 120.3253 57.8168 41.6436 179.1956 58 I 3.8693 8.0314 120.1005 64.1663 36.9887 178.5514 59 E 4.0282 7.8698 116.4095 56.9882 29.0484 177.9605 *61 L 4.1852 7.9414 121.0870 54.5637 44.0538 178.8869 62 G 3.6714 8.3767 105.5025 48.0915 0.0000 175.8958 63 R 3.9470 8.1446 120.8394 58.7702 29.8230 179.2199 64 S 4.4031 7.9635 114.2378 60.5007 62.8937 175.9924 65 K 4.1897 7.4933 121.2530 58.4357 32.4141 178.6982 66 S 4.3620 8.2772 113.7689 58.8780 63.3685 175.5853 67 G 3.9240 8.0896 109.0608 45.1272 0.0000 173.4390 68 E 4.0465 7.8625 119.1070 55.9640 30.0053 176.9230 69 Q 4.0401 8.4432 123.4202 55.4504 29.8027 175.6332 70 L 3.8584 8.5730 125.0721 54.9605 42.3334 175.1980 71 P 4.2677 0.0000 0.0000 62.3052 31.8384 176.0157 72 A 4.1172 8.6093 125.5954 52.9141 18.7366 177.1163 73 V 4.4922 8.0911 120.0117 60.1337 34.3793 174.2947 74 D 4.7598 8.5676 122.0051 51.8066 41.2274 173.8033 75 P 3.6457 0.0000 0.0000 65.3351 31.9700 178.5357 76 T 4.0677 7.9002 110.9663 61.5110 67.1463 175.3347 *78 F 4.6602 7.8964 116.3784 57.8490 41.0543 177.4015 79 A 4.0445 7.8957 126.2799 55.0360 18.1288 179.1323 80 E 4.5213 7.9585 112.1001 56.0142 29.8757 176.2293 81 V 3.9872 7.5524 120.3262 62.2978 32.3283 176.7568 82 S 4.3211 9.3476 122.6654 58.4706 64.7738 175.3895 83 Q 3.9736 8.6694 124.2907 59.2340 28.7926 178.6646 84 K 3.8511 7.9750 120.1685 59.6017 32.3007 178.7953 85 S 3.9927 7.8247 115.2593 61.5914 62.7132 176.6998 86 L 4.0142 7.9178 121.6464 57.9207 41.3622 179.4117 87 D 4.2877 8.5054 119.2352 57.2031 40.7708 178.7906 88 L 3.7250 7.8262 119.3286 57.5806 41.4321 179.3850 89 A 4.2191 7.8304 120.6493 55.2888 18.3347 179.0826 90 D 4.1818 8.3606 116.9001 57.5225 41.1801 178.2750 91 Q 3.9749 8.1800 120.0240 59.1681 29.0276 178.4888 92 V 3.8031 8.0082 119.2590 66.0055 31.6367 178.0845 93 V 3.5891 8.0283 118.1052 66.3057 31.1565 178.0761 94 Q 3.9840 8.0061 116.4082 59.0503 28.5701 177.8273 95 H 4.1845 8.2677 118.6987 59.2783 29.9408 177.0976 96 I 3.7048 7.6046 120.5821 62.4932 37.0885 177.8178 97 G 3.9484 7.5346 103.6784 46.2183 0.0000 172.3029 98 H 4.2294 8.3362 112.0386 56.6826 26.4333 174.6748 99 L 4.8324 7.0796 116.6430 52.5966 45.2558 176.6422 100 E 4.2029 8.3825 119.9531 55.9204 30.5897 178.1053 101 V 3.5101 8.6704 121.8203 66.3672 31.6035 177.9882 102 A 3.9402 7.8669 117.9061 53.4358 17.7212 178.6223 103 E 3.9783 8.2378 118.2373 59.0031 29.3984 179.3449 104 K 3.9412 7.9087 118.9513 59.8826 32.1235 178.8833 105 Y 3.7283 6.9258 116.9424 60.8920 37.8564 178.2196 106 V 3.9247 7.5910 118.5697 66.0070 31.7500 177.5973 107 L 4.0545 7.7590 119.4710 58.1165 41.8256 179.0083 108 S 4.5145 8.5066 114.4485 61.7057 62.6902 176.6734 109 I 3.8488 7.9134 123.3424 64.3592 36.7889 178.0857 110 H 4.1774 8.3476 117.2992 58.9731 28.2136 177.8473 111 F 4.3489 8.2074 119.1190 60.4587 38.8481 177.2177 112 E 4.0156 8.7858 119.0540 59.3097 29.5195 178.7357 113 A 4.0286 8.5467 121.0430 55.1768 18.2438 179.4806 114 A 4.1610 7.9498 117.9727 54.6704 18.4652 178.8631 115 Q 4.1746 7.6611 114.0484 55.0840 29.7955 175.1318 116 D 4.3981 7.9061 119.0671 55.9106 38.7545 174.2139 117 K 4.5146 8.2241 114.3107 56.1576 33.1272 177.2448 118 I 4.0867 7.6696 125.5030 61.4162 37.4339 175.3541 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 T 8.17 4.33 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 1.22 0.00 0.00 3 P 0.00 4.33 0.00 1.94 1.80 0.00 3.69 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 1.96 1.79 0.00 4 L 9.04 4.21 0.00 1.52 1.60 0.93 1.04 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 5 D 8.57 4.72 0.00 2.57 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 6 A 8.26 4.30 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 7 N 8.82 4.62 0.00 2.76 2.62 0.00 0.00 6.51 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.36 4.27 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 1.01 0.00 0.00 0.96 0.00 0.00 9 E 8.61 4.54 0.00 1.97 1.88 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 2.21 2.29 0.00 10 L 8.18 4.32 0.00 1.64 1.59 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.45 0.00 2.15 1.97 0.00 3.62 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 2.11 2.32 0.00 12 T 8.58 3.88 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 1.21 0.00 0.00 13 E 8.05 3.98 0.00 1.91 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 2.31 2.42 0.00 14 V 7.64 3.71 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 0.84 0.00 0.00 0.90 0.00 0.00 15 K 8.30 4.13 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.62 7.81 16 A 7.94 4.12 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 *18 I 7.68 4.01 1.99 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 1.28 0.75 0.90 0.00 0.00 19 E 8.38 3.96 0.00 1.99 2.14 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 2.32 2.29 0.00 20 Q 7.77 4.15 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 21 S 7.57 4.38 0.00 3.98 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 22 S 8.34 4.35 0.00 3.99 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 23 D 7.74 4.36 0.00 2.62 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 24 A 8.38 4.01 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 25 Q 8.15 3.85 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 26 A 8.44 3.99 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 27 A 8.16 3.94 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 28 T 8.34 3.77 4.39 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 1.22 0.00 0.00 29 A 8.12 4.01 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 30 L 8.09 3.92 0.00 1.85 1.87 0.99 0.74 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 31 V 7.96 3.55 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 0.93 0.00 0.00 0.94 0.00 0.00 32 N 8.34 4.31 0.00 3.01 2.91 0.00 0.00 6.71 7.21 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 33 Y 8.36 4.07 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.24 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 1.13 0.00 0.00 1.17 0.00 0.00 35 I 7.97 3.91 2.06 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 1.62 0.54 1.00 0.00 0.00 36 K 8.18 3.97 0.00 1.86 2.04 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 37 L 8.08 3.74 0.00 1.17 1.63 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.43 4.03 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.28 3.79 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 40 A 7.91 3.97 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 41 A 7.40 4.23 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 42 E 8.01 3.73 0.00 2.13 2.06 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 2.24 2.24 0.00 43 I 7.79 4.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.58 0.00 0.00 44 H 8.31 4.74 0.00 3.00 3.14 0.00 5.87 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 45 F 8.41 4.99 0.00 3.05 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 46 T 8.85 4.21 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 1.29 0.00 0.00 47 D 8.63 4.55 0.00 2.73 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 48 L 7.87 3.99 0.00 1.71 1.73 0.93 0.88 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 49 Q 8.25 4.06 0.00 2.52 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 50 L 8.57 3.71 0.00 1.77 1.85 0.69 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.04 3.93 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 52 V 7.66 3.60 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 1.01 0.00 0.00 0.99 0.00 0.00 53 L 8.15 3.69 0.00 1.44 1.48 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.93 3.75 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 55 N 8.11 4.23 0.00 2.84 2.98 0.00 0.00 6.90 7.48 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 56 H 7.79 4.17 0.00 3.13 3.30 0.00 6.01 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.08 4.05 0.00 1.67 1.67 0.82 0.86 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 58 I 8.03 3.87 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.89 0.00 0.00 59 E 7.87 4.03 0.00 2.02 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 2.26 2.30 0.00 *61 L 7.94 4.19 0.00 1.82 1.86 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.38 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.14 3.95 0.00 1.86 1.98 0.00 3.26 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 64 S 7.96 4.40 0.00 4.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.49 4.19 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.49 7.81 66 S 8.28 4.36 0.00 4.00 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 67 G 8.09 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 68 E 7.86 4.05 0.00 1.98 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 2.34 2.25 0.00 69 Q 8.44 4.04 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 70 L 8.57 3.86 0.00 1.63 1.63 1.03 0.99 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 71 P 0.00 4.27 0.00 2.13 2.03 0.00 3.79 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 2.08 2.12 0.00 72 A 8.61 4.12 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 73 V 8.09 4.49 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 0.82 0.00 0.00 1.03 0.00 0.00 74 D 8.57 4.76 0.00 2.65 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 75 P 0.00 3.65 0.00 1.90 1.45 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 76 T 7.90 4.07 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 1.20 0.00 0.00 *78 F 7.90 4.66 0.00 3.20 3.28 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 79 A 7.90 4.04 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 80 E 7.96 4.52 0.00 1.96 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 2.24 2.22 0.00 81 V 7.55 3.99 2.37 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 0.92 0.00 0.00 1.20 0.00 0.00 82 S 9.35 4.32 0.00 4.09 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 83 Q 8.67 3.97 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 84 K 7.98 3.85 0.00 1.82 1.76 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 85 S 7.82 3.99 0.00 4.10 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 0.00 86 L 7.92 4.01 0.00 1.86 1.71 1.08 1.28 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 87 D 8.51 4.29 0.00 2.72 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 88 L 7.83 3.73 0.00 0.64 0.64 0.54 0.37 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 89 A 7.83 4.22 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.36 4.18 0.00 2.77 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 91 Q 8.18 3.97 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 92 V 8.01 3.80 2.39 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 1.09 0.00 0.00 1.27 0.00 0.00 93 V 8.03 3.59 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 0.99 0.00 0.00 1.01 0.00 0.00 94 Q 8.01 3.98 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 95 H 8.27 4.18 0.00 3.09 3.51 0.00 5.95 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 96 I 7.60 3.70 1.97 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 1.43 0.77 0.88 0.00 0.00 97 G 7.53 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 98 H 8.34 4.23 0.00 3.45 3.39 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.08 4.83 0.00 1.66 1.51 0.90 0.86 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 0.00 100 E 8.38 4.20 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 101 V 8.67 3.51 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 0.95 0.00 0.00 0.90 0.00 0.00 102 A 7.87 3.94 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 0.00 103 E 8.24 3.98 0.00 2.02 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 2.40 2.46 0.00 104 K 7.91 3.94 0.00 1.80 1.87 0.00 1.05 0.00 0.00 1.51 0.00 0.00 2.46 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.73 0.60 7.81 105 Y 6.93 3.73 0.00 2.33 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 0.00 106 V 7.59 3.92 2.14 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 1.00 0.00 0.00 1.08 0.00 0.00 107 L 7.76 4.05 0.00 1.92 1.73 0.82 1.01 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 0.00 108 S 8.51 4.51 0.00 4.24 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.91 3.85 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.11 0.94 0.00 0.00 110 H 8.35 4.18 0.00 3.15 3.24 0.00 5.62 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 0.00 111 F 8.21 4.35 0.00 3.32 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 0.00 112 E 8.79 4.02 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 113 A 8.55 4.03 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 0.00 114 A 7.95 4.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.66 4.17 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 116 D 7.91 4.40 0.00 2.82 2.73 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 0.00 117 K 8.22 4.51 0.00 1.91 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.53 7.81 118 I 7.67 4.09 1.89 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 1.30 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.