NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3333 8.0333 117.3733 63.5855 71.1645 175.7567 8 K 3.7014 8.1061 120.7344 59.2378 32.0170 177.6449 9 K 3.9884 8.8587 119.4283 59.8988 32.3372 178.6692 10 T 3.8227 7.9683 115.5108 66.5645 68.3458 175.6826 11 Q 3.9049 8.0845 120.9056 59.6770 29.0878 179.3085 12 L 4.2649 7.7926 121.8870 57.5025 42.0416 179.0576 13 Q 3.9693 8.2035 118.2517 58.9298 28.6667 178.2749 14 L 4.0379 8.2953 120.4092 58.1188 41.1424 179.6125 15 E 3.8680 8.4257 118.4021 59.7641 29.3816 179.1877 16 H 4.2110 8.2502 116.3483 58.4607 28.7168 177.7075 17 L 3.9646 8.3852 122.8781 57.8769 41.8801 178.4294 18 L 3.9750 8.4864 120.9522 58.5025 42.0214 178.9845 19 L 3.9728 8.2985 118.9850 57.7916 41.6582 179.1877 20 D 4.3781 8.1477 118.7778 57.5554 40.7947 179.0512 21 L 4.0472 8.0266 119.1434 58.0261 41.6695 179.6857 22 Q 4.0283 8.3917 118.1783 59.2266 28.6187 178.7760 23 M 4.2611 8.6366 120.2325 58.1265 31.9335 178.9633 24 I 3.7225 7.7103 119.8280 64.3025 37.3636 178.1364 25 L 3.9942 8.1187 121.2801 58.2748 41.6558 178.7747 26 N 4.5140 8.5651 116.0514 56.2989 38.5534 177.3990 27 G 3.7343 8.2589 107.1204 47.5177 0.0000 175.9624 28 I 3.7586 7.8054 122.1328 64.3996 37.1200 177.8923 29 N 4.5394 8.5392 114.7703 54.9420 38.3230 175.5033 30 N 4.7160 7.4078 114.6721 53.4127 39.5110 174.9537 31 C 4.4296 7.8449 116.4774 59.0265 29.0146 174.0161 32 K 4.2701 8.2498 119.9655 56.0541 33.5566 178.1305 33 N 4.3096 8.6314 119.5675 56.1797 38.6951 175.6692 34 P 4.2939 0.0000 0.0000 65.7298 31.4284 178.5384 35 K 3.9032 8.0324 116.3065 59.6253 32.1041 178.7923 36 L 3.9865 8.2557 120.6737 58.5203 41.6395 179.0272 37 T 3.9006 8.2900 115.4629 66.8311 68.6783 176.2406 38 R 4.1274 7.9115 119.4074 59.7024 29.7379 178.8404 39 M 4.1576 8.1570 117.7524 58.5230 31.9336 177.3291 40 L 4.4570 7.8376 116.7724 55.8033 42.0430 178.3218 41 T 4.1544 8.0956 110.7916 62.9610 69.2806 175.2300 42 F 4.0564 7.7098 120.4966 57.0450 39.4737 174.6223 43 K 4.8856 8.3048 124.8598 55.1107 33.6762 175.8628 44 F 4.7743 9.3539 122.5696 55.7367 42.3893 174.2336 45 Y 4.4449 8.6627 119.4946 58.0066 38.4814 175.1552 46 M 5.0588 8.7934 123.0420 53.0789 35.2096 173.5752 47 P 5.1077 0.0000 0.0000 62.0777 32.5736 176.3639 48 K 4.0775 8.6197 121.6504 58.5809 32.3095 177.3441 49 K 4.5961 7.2056 116.6081 55.4530 35.3147 175.9549 50 A 4.7010 7.6507 116.7551 52.3605 20.1053 176.1740 51 T 4.8255 8.4689 105.9842 60.2770 71.0657 174.5689 52 E 4.7690 7.7756 120.8796 53.7372 33.6471 176.1652 53 L 4.2097 8.6966 121.2640 58.2540 41.1127 179.9791 54 K 3.8269 8.0268 117.8836 60.2180 31.6891 177.7258 55 H 4.6794 8.2106 115.6231 56.3481 28.6860 176.5979 56 L 3.9644 8.1832 122.2280 56.2745 41.3262 178.6190 57 Q 4.0227 7.8432 119.9695 59.3302 28.7263 177.8720 58 C 4.2839 7.7594 116.5742 62.5877 28.4866 175.5554 59 L 3.7455 7.3371 121.4578 57.9198 41.5071 178.1424 60 E 3.8758 7.9399 119.2899 59.7186 29.2516 178.8383 61 E 4.1459 7.9460 117.1047 58.7256 29.7936 178.0665 62 E 4.5667 8.1309 117.1448 56.4763 29.6577 178.1098 63 L 4.0651 7.7723 121.7283 57.6715 41.7683 179.3386 64 K 3.9494 8.0002 117.9291 58.9736 32.0656 177.2490 65 P 4.5086 0.0000 0.0000 64.8962 31.2620 177.8892 66 L 4.1982 7.8779 119.0094 58.6507 41.9162 178.6680 67 E 3.9178 8.4687 118.9556 59.4318 29.4452 178.6045 68 E 3.8930 8.5249 118.8627 59.5398 29.4673 179.6373 69 V 3.2043 8.3072 118.4718 65.6892 31.4909 178.1448 70 L 4.0653 8.1980 119.3397 57.8159 41.2644 179.1918 71 N 4.4007 8.5523 115.6466 56.0359 38.4427 177.1556 72 L 4.0708 7.3654 118.4485 55.3193 41.9909 178.2810 73 A 3.7943 7.8516 111.7614 54.3386 16.8416 178.6106 *80 L 4.2660 8.2764 118.9223 52.8429 44.3120 177.9944 81 R 5.2243 8.7944 129.4556 57.8884 28.8483 178.4105 82 P 3.5960 0.0000 0.0000 62.4850 33.2214 175.3298 83 R 4.5465 7.1395 119.0960 55.0800 32.7427 176.2829 84 D 4.6428 8.2737 121.2517 56.3842 41.4150 178.4368 85 L 4.0283 7.7764 119.0998 57.5480 41.5880 179.3985 86 I 3.7299 7.6735 119.5642 64.5534 37.1857 178.5030 87 S 4.1316 8.0138 115.4575 61.1260 62.7479 176.0962 88 N 4.2715 8.3617 120.4000 56.7959 38.6755 176.9595 89 I 3.6904 7.9107 121.2728 64.2589 37.1912 177.8743 90 N 4.2178 8.4214 118.1653 56.7338 38.6360 176.7759 91 V 3.5672 7.7358 119.5155 66.1901 31.5284 177.9629 92 I 3.7245 7.6147 118.9854 64.5296 36.7910 178.6326 93 V 3.6400 7.8114 117.8363 65.9592 31.4669 177.7099 94 L 4.1606 8.4421 117.2327 56.5866 41.4851 178.0325 95 E 4.5237 7.4856 117.2113 57.6770 30.9492 177.3850 96 L 4.1543 8.2670 119.5635 55.8063 41.8313 176.5412 *103 F 4.3937 7.3526 122.5095 57.8993 40.1247 174.6041 104 M 4.0236 7.9418 126.4878 54.7210 31.7619 175.3568 105 C 4.2712 8.3972 119.2755 57.5523 30.8909 172.2919 106 E 4.4899 8.4999 124.8037 54.3261 31.7606 174.1640 107 Y 5.3561 8.4022 123.8395 56.7606 39.5871 175.3663 108 A 4.3380 9.2618 126.1885 51.9156 19.0521 177.6724 109 D 4.4923 8.3985 118.9298 57.2680 41.2231 176.7892 110 E 4.2650 7.8357 118.3088 55.7377 30.4452 176.9711 111 T 4.3725 8.1367 113.8526 61.4192 70.8784 172.1316 112 A 4.7947 8.9217 122.4393 51.0509 23.3464 175.2919 113 T 4.6899 8.4128 113.6788 62.8473 70.1658 176.5678 114 I 2.8939 8.6924 123.3251 64.0654 37.8153 178.5392 115 V 3.5622 7.6918 118.6043 66.0741 31.5608 177.5824 116 E 4.0105 8.1720 118.3470 58.8780 29.5511 178.2743 117 F 4.2276 8.6310 121.6101 60.9048 39.3788 177.2692 118 L 4.0760 8.0645 118.6344 57.9767 41.5513 178.7990 119 N 4.3162 8.2267 116.4079 56.7004 38.4367 177.3941 120 R 3.7173 7.9830 119.7614 58.9293 30.0190 178.3189 121 W 4.4205 7.5488 116.8475 58.7378 29.1947 178.8513 122 I 3.8156 8.4300 120.5849 64.5678 36.5580 178.3803 123 T 3.8342 8.1241 116.7174 66.5823 68.4451 176.0703 124 F 4.0746 7.9671 122.0747 61.6977 39.3664 176.8570 125 C 3.9171 8.6260 116.1726 63.1172 28.1544 176.2397 126 Q 3.9841 8.2595 119.5866 59.0529 28.0577 178.9170 127 S 4.1290 8.4106 113.2823 60.7411 62.3230 175.5990 128 I 3.8836 7.1979 121.9732 63.5921 36.6591 178.0263 129 I 3.7792 7.7642 120.7733 63.7846 36.6430 178.3870 130 S 3.9808 7.7212 114.5595 61.1204 63.0239 176.1317 131 T 4.1334 7.4724 112.6552 63.0302 68.8608 174.5545 132 L 4.3082 7.2815 125.6604 55.6181 40.5695 175.9709 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 7 T 8.03 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 1.20 0.00 0.00 8 K 8.11 3.70 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 9 K 8.86 3.99 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 10 T 7.97 3.82 4.45 0.00 0.00 0.00 0.00 0.00 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 11 Q 8.08 3.90 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 12 L 7.79 4.26 0.00 1.85 1.83 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.20 3.97 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 14 L 8.30 4.04 0.00 1.81 1.71 0.85 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 15 E 8.43 3.87 0.00 2.15 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 2.31 2.55 0.00 16 H 8.25 4.21 0.00 3.50 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.39 3.96 0.00 1.81 1.90 0.91 0.54 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 18 L 8.49 3.98 0.00 1.91 1.82 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.30 3.97 0.00 1.64 1.70 0.92 0.94 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 20 D 8.15 4.38 0.00 2.98 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 21 L 8.03 4.05 0.00 1.88 1.76 1.02 0.87 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 22 Q 8.39 4.03 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 23 M 8.64 4.26 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 24 I 7.71 3.72 2.05 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 1.43 1.19 0.93 0.00 0.00 25 L 8.12 3.99 0.00 1.86 1.85 0.94 0.58 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 26 N 8.57 4.51 0.00 2.87 2.87 0.00 0.00 7.03 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 27 G 8.26 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 28 I 7.81 3.76 2.12 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 1.53 0.89 0.93 0.00 0.00 29 N 8.54 4.54 0.00 2.81 2.88 0.00 0.00 7.10 7.99 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 30 N 7.41 4.72 0.00 3.00 2.85 0.00 0.00 6.96 7.54 0.00 0.00 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 C 7.84 4.43 0.00 3.01 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 32 K 8.25 4.27 0.00 1.81 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 33 N 8.63 4.31 0.00 2.74 2.88 0.00 0.00 6.90 8.03 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 34 P 0.00 4.29 0.00 2.16 2.13 0.00 3.54 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 2.13 2.21 0.00 35 K 8.03 3.90 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 36 L 8.26 3.99 0.00 1.84 1.91 0.95 0.91 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 37 T 8.29 3.90 4.51 0.00 0.00 0.00 0.00 0.00 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 38 R 7.91 4.13 0.00 2.11 2.11 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 39 M 8.16 4.16 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 40 L 7.84 4.46 0.00 1.87 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.10 4.15 4.05 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 0.00 0.00 0.00 1.25 0.00 0.00 42 F 7.71 4.06 0.00 3.18 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 43 K 8.30 4.89 0.00 1.42 1.58 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.29 7.81 44 F 9.35 4.77 0.00 2.93 2.88 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 45 Y 8.66 4.44 0.00 2.21 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 0.00 0.00 0.00 46 M 8.79 5.06 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 47 P 0.00 5.11 0.00 2.37 2.22 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 48 K 8.62 4.08 0.00 1.88 1.90 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.56 7.81 49 K 7.21 4.60 0.00 1.85 1.79 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.33 7.81 50 A 7.65 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.47 4.83 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 1.25 0.00 0.00 52 E 7.78 4.77 0.00 1.58 1.68 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 0.00 2.19 2.09 0.00 53 L 8.70 4.21 0.00 1.68 1.78 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.03 3.83 0.00 1.67 1.94 0.00 0.81 0.00 0.00 1.61 0.00 0.00 2.58 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 0.93 7.81 55 H 8.21 4.68 0.00 3.35 3.39 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.18 3.96 0.00 1.86 1.62 1.06 0.80 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 57 Q 7.84 4.02 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 58 C 7.76 4.28 0.00 3.55 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 59 L 7.34 3.75 0.00 0.27 0.98 0.45 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.94 3.88 0.00 2.14 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 2.28 2.50 0.00 61 E 7.95 4.15 0.00 2.29 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 2.40 2.50 0.00 62 E 8.13 4.57 0.00 2.47 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 2.58 3.07 0.00 63 L 7.77 4.07 0.00 1.75 1.72 0.89 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.00 3.95 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.48 7.81 65 P 0.00 4.51 0.00 2.11 1.97 0.00 3.98 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 2.29 1.99 0.00 66 L 7.88 4.20 0.00 1.91 1.95 0.65 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 67 E 8.47 3.92 0.00 2.14 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 2.49 2.36 0.00 68 E 8.52 3.89 0.00 2.15 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 2.30 2.40 0.00 69 V 8.31 3.20 2.26 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 0.86 0.00 0.00 0.59 0.00 0.00 70 L 8.20 4.07 0.00 1.90 1.68 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.55 4.40 0.00 2.64 2.85 0.00 0.00 7.10 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 72 L 7.37 4.07 0.00 1.63 1.63 0.66 0.72 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 73 A 7.85 3.79 1.08 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 0.00 0.00 0.00 0.00 0.00 *80 L 8.28 4.27 0.00 1.68 1.63 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.79 5.22 0.00 1.96 1.98 0.00 3.20 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 82 P 0.00 3.60 0.00 2.31 2.30 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 83 R 7.14 4.55 0.00 1.73 1.85 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 84 D 8.27 4.64 0.00 2.67 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 85 L 7.78 4.03 0.00 1.70 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.67 3.73 1.87 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 1.65 1.00 0.97 0.00 0.00 87 S 8.01 4.13 0.00 3.86 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 88 N 8.36 4.27 0.00 2.89 3.06 0.00 0.00 7.10 8.19 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 89 I 7.91 3.69 2.01 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 1.41 0.75 0.86 0.00 0.00 90 N 8.42 4.22 0.00 2.88 2.80 0.00 0.00 6.86 7.92 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 91 V 7.74 3.57 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 0.97 0.00 0.00 0.94 0.00 0.00 92 I 7.61 3.72 2.03 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 1.71 0.60 0.98 0.00 0.00 93 V 7.81 3.64 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 0.80 0.00 0.00 0.87 0.00 0.00 94 L 8.44 4.16 0.00 1.81 1.71 0.92 0.86 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 95 E 7.49 4.52 0.00 2.09 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 2.25 2.45 0.00 96 L 8.27 4.15 0.00 1.65 1.68 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *103 F 7.35 4.39 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 0.00 104 M 7.94 4.02 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 105 C 8.40 4.27 0.00 2.70 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 0.00 106 E 8.50 4.49 0.00 1.88 1.73 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 2.25 2.23 0.00 107 Y 8.40 5.36 0.00 3.03 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 0.00 108 A 9.26 4.34 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.49 0.00 2.71 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 0.00 110 E 7.84 4.26 0.00 1.96 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 2.30 2.24 0.00 111 T 8.14 4.37 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 0.58 0.00 0.00 112 A 8.92 4.79 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 0.00 113 T 8.41 4.69 4.30 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 1.33 0.00 0.00 114 I 8.69 2.89 1.90 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 1.43 0.90 0.96 0.00 0.00 115 V 7.69 3.56 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 1.04 0.00 0.00 0.96 0.00 0.00 116 E 8.17 4.01 0.00 2.15 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 0.00 2.40 2.44 0.00 117 F 8.63 4.23 0.00 3.00 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 0.00 118 L 8.06 4.08 0.00 1.95 1.74 0.98 0.83 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 0.00 119 N 8.23 4.32 0.00 2.77 2.88 0.00 0.00 6.75 7.28 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 0.00 120 R 7.98 3.72 0.00 1.89 1.69 0.00 2.95 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.00 121 W 7.55 4.42 0.00 3.27 3.08 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 0.00 0.00 0.00 122 I 8.43 3.82 2.11 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 1.57 0.77 0.94 0.00 0.00 123 T 8.12 3.83 4.38 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 1.20 0.00 0.00 124 F 7.97 4.07 0.00 2.97 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 0.00 125 C 8.63 3.92 0.00 3.25 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 0.00 126 Q 8.26 3.98 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 127 S 8.41 4.13 0.00 3.84 3.90 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 0.00 128 I 7.20 3.88 1.66 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.06 0.75 0.00 0.00 129 I 7.76 3.78 1.95 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 1.53 1.04 0.88 0.00 0.00 130 S 7.72 3.98 0.00 4.03 4.05 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 0.00 0.00 0.00 0.00 131 T 7.47 4.13 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 1.23 0.00 0.00 132 L 7.28 4.31 0.00 1.50 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.