NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.8676 8.1545 117.9084 61.1940 32.5635 173.0803 3 N 4.6116 8.9221 122.6700 51.4779 35.2531 170.3768 4 V 3.9995 8.6311 122.8688 60.2081 34.3400 171.6869 5 P 4.3022 0.0000 0.0000 62.2475 28.8042 175.3431 6 K 3.5096 8.1898 126.0478 57.0961 31.9792 172.5046 7 T 5.5605 7.8228 113.4937 59.6741 71.4679 176.9384 8 R 4.5796 8.5360 128.3272 54.6914 33.5128 172.2255 9 K 3.9527 9.1486 130.8695 55.2832 30.8363 175.1075 10 T 4.2442 7.7207 126.2687 62.8002 68.7656 177.1173 *11 Y 3.0778 8.8229 124.2734 56.2729 38.8786 177.6738 12 C 4.1796 9.1332 120.6232 56.6847 39.3369 174.8725 13 K 4.3959 7.6578 122.7018 56.4550 34.6562 172.6787 14 G 4.4450 8.6644 117.8384 48.2613 0.0000 173.8647 15 K 4.0227 8.6170 121.2783 54.4567 30.5626 179.7610 16 T 3.6133 9.3235 106.7297 62.7171 66.0159 175.0880 17 C 4.6440 8.1611 124.5002 52.5147 48.4891 178.4928 18 R 3.9948 9.0233 123.0452 56.9384 29.7278 180.5927 19 K 3.9822 8.5462 116.9009 57.2174 28.7866 174.6692 *20 H 5.4201 8.6284 116.4585 55.4044 30.2069 171.5768 21 T 4.8442 8.2452 120.8135 63.5416 71.3264 169.5486 22 Q 4.1091 8.4584 130.3208 56.4491 29.4865 172.4975 *23 H 5.1134 8.7789 123.9556 52.6726 30.8829 170.9761 24 K 4.1208 8.8770 130.2991 55.4226 32.4986 173.7034 25 V 4.7069 8.0569 127.9979 58.9781 32.3040 173.1149 26 T 4.4634 8.2924 123.8969 60.7277 70.6009 172.8624 27 Q 4.9351 8.5087 123.1674 56.2956 29.9661 176.0571 *28 Y 4.2947 8.6688 122.3789 58.2596 37.5772 178.0739 29 K 4.5688 8.5117 123.7068 54.3218 32.3066 173.7226 30 A 5.0250 7.9020 121.2401 53.6707 21.7191 175.0658 31 G 3.8219 8.2618 102.3286 45.5060 0.0000 174.6598 32 K 4.2115 8.7968 126.6981 54.8270 32.5534 172.3477 33 A 4.1750 8.5386 120.4232 56.5206 20.9930 178.8455 34 S 3.6520 8.2282 112.7401 60.2144 59.0418 174.4818 35 L 3.9257 8.8306 129.6061 54.6267 38.0697 172.1378 *36 F 4.5570 7.6936 115.4814 58.5748 40.6431 179.5463 37 A 4.0516 8.1619 124.9109 53.0082 19.2286 178.3202 38 Q 4.0714 9.2095 126.5915 61.2355 28.1891 177.7112 39 G 4.2425 7.8588 109.8146 48.0408 0.0000 176.2984 40 K 4.1300 8.4185 128.6515 60.1573 31.8491 182.4481 41 R 4.0593 8.3254 124.3932 61.1755 29.6966 179.9731 42 R 4.5914 8.0343 118.6649 58.4645 31.0669 180.0504 *43 Y 4.1098 7.8308 116.0916 58.2292 36.6401 178.4355 44 D 4.7415 8.1283 122.1043 54.8061 39.8691 181.3381 45 R 4.3572 7.6608 131.0917 56.9084 34.2186 171.5477 46 K 4.2732 10.3650 123.5011 57.8057 28.6363 175.5302 47 Q 4.2648 9.5476 119.3465 55.2516 25.1743 176.7941 48 S 4.5660 7.8893 111.7028 59.4620 67.4397 178.4605 49 G 3.7473 8.2411 109.8253 47.7210 0.0000 173.6980 *50 F 4.6829 7.2526 116.4622 56.6855 43.5113 180.5752 51 G 4.1978 8.1870 112.2051 45.5259 0.0000 174.0846 52 G 4.3517 8.8915 121.6058 43.6925 0.0000 176.5453 53 Q 5.1407 6.2511 123.7411 55.0267 29.5860 178.7716 54 T 4.7787 8.2638 111.3476 61.2282 72.1696 174.5464 55 K 4.4525 8.2363 129.1710 56.6334 32.3502 174.4203 56 P 4.8464 0.0000 0.0000 60.2244 30.3856 177.9956 57 V 4.5994 7.1607 121.8589 59.0146 33.9688 173.4872 *58 F 4.4628 7.8533 121.9577 57.0859 42.3726 175.0397 *59 H 4.2799 8.5764 119.2962 56.7453 28.5634 181.1723 60 K 4.3217 8.2517 129.8649 53.7496 31.8083 178.2792 61 K 4.1805 8.7345 122.2662 54.7670 33.5805 176.4626 62 A 4.3541 8.5623 132.4185 51.7256 18.6587 176.9684 63 K 4.4556 8.4083 116.6453 54.2340 34.0847 173.1829 64 T 3.4162 8.2147 109.8332 63.1612 65.6046 179.0414 65 T 4.4810 7.0830 109.5995 61.3212 71.9202 179.4884 66 K 4.5046 8.3481 134.7240 53.9596 31.6846 176.6579 67 K 4.7103 8.3106 119.9226 55.0608 35.3803 173.6572 68 V 3.8195 8.3305 123.1052 61.7887 32.5146 178.6546 69 V 4.3739 8.0766 131.3976 59.1574 29.9804 172.8001 70 L 4.2024 7.8613 128.7162 55.9307 42.4470 180.7983 71 R 5.0319 8.7908 126.2255 54.7216 29.4447 173.0167 72 L 4.2833 7.8284 127.5292 56.5733 43.2161 180.1560 73 E 4.8316 8.2865 116.4072 56.6344 33.9302 175.5725 74 C 5.4506 8.9570 124.9358 54.1181 41.1173 170.7587 75 V 4.2213 8.1631 113.5352 63.6442 34.3215 174.9209 76 K 4.1713 8.2906 122.7225 58.6382 31.9197 183.6400 77 C 4.1865 8.3935 118.6786 56.3312 39.8626 178.5603 78 K 3.8001 7.9292 118.1756 56.7123 30.6595 181.5199 79 T 4.2300 7.3377 109.2406 62.0208 72.7109 178.7013 80 R 4.5844 8.2159 118.1799 55.2860 32.9194 175.4792 81 A 4.0033 8.1477 128.9848 50.3452 17.0055 176.2756 82 Q 4.5452 9.0491 125.0227 55.7179 29.2068 174.6715 83 L 4.5966 8.6508 128.9845 54.8086 42.2807 173.3710 84 T 4.7743 9.1089 117.4450 60.6388 73.0919 174.8515 85 L 4.5679 8.4775 122.1192 56.0118 43.1200 171.8891 86 K 4.5452 8.5119 132.2061 53.8344 33.9060 174.7642 87 R 4.7052 9.1965 126.6630 56.0124 32.4965 173.5654 88 C 5.6638 7.9871 132.4300 57.4636 30.7553 170.7516 89 K 4.7193 8.3784 128.6885 52.6530 35.2838 172.7794 *90 H 4.8875 8.4600 119.3754 54.4904 30.0494 175.7846 *91 F 4.7214 7.5002 118.2748 61.0590 41.9303 173.6912 92 E 4.7858 8.6241 113.2561 58.2931 33.6334 173.9157 93 L 4.3498 8.0626 118.1886 55.4981 42.3159 177.0291 94 G 3.9000 8.7818 106.7609 47.1111 0.0000 172.1097 95 G 3.5340 8.6144 118.6721 47.0766 0.0000 173.9202 96 E 4.2456 8.2912 119.5368 55.6683 30.7456 177.5079 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 V 8.15 3.87 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 0.90 0.00 0.00 0.93 0.00 0.00 3 N 8.92 4.61 0.00 2.90 2.76 0.00 0.00 6.75 6.80 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 4 V 8.63 4.00 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 0.89 0.00 0.00 0.93 0.00 0.00 5 P 0.00 4.30 0.00 2.21 2.19 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 6 K 8.19 3.51 0.00 1.67 1.71 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.46 1.05 7.81 7 T 7.82 5.56 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 8 R 8.54 4.58 0.00 1.53 1.66 0.00 3.26 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 9 K 9.15 3.95 0.00 1.53 1.71 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.04 7.81 10 T 7.72 4.24 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 *11 Y 8.82 3.08 0.00 2.31 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 12 C 9.13 4.18 0.00 2.91 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 13 K 7.66 4.40 0.00 1.78 0.82 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.11 0.77 7.81 14 G 8.66 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 0.00 0.00 0.00 0.00 15 K 8.62 4.02 0.00 1.77 1.16 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.98 7.81 16 T 9.32 3.61 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 17 C 8.16 4.64 0.00 2.66 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 18 R 9.02 3.99 0.00 1.99 1.85 0.00 3.29 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 19 K 8.55 3.98 0.00 1.96 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 0.99 7.81 *20 H 8.63 5.42 0.00 2.92 2.91 0.00 7.20 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.25 4.84 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 22 Q 8.46 4.11 0.00 1.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.82 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 *23 H 8.78 5.11 0.00 2.54 2.92 0.00 7.16 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.88 4.12 0.00 1.46 1.76 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.27 7.81 25 V 8.06 4.71 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 0.97 0.00 0.00 0.93 0.00 0.00 26 T 8.29 4.46 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 27 Q 8.51 4.94 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.95 0.00 0.00 0.00 0.00 0.00 2.23 1.92 0.00 *28 Y 8.67 4.29 0.00 2.06 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 0.00 0.00 0.00 29 K 8.51 4.57 0.00 1.75 1.48 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 30 A 7.90 5.03 1.23 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 0.00 0.00 31 G 8.26 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 32 K 8.80 4.21 0.00 1.79 1.62 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 33 A 8.54 4.17 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 34 S 8.23 3.65 0.00 3.71 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 35 L 8.83 3.93 0.00 1.85 1.73 0.92 0.70 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 *36 F 7.69 4.56 0.00 2.30 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 0.00 0.00 0.00 37 A 8.16 4.05 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 38 Q 9.21 4.07 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 39 G 7.86 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 40 K 8.42 4.13 0.00 1.78 1.79 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 41 R 8.33 4.06 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 42 R 8.03 4.59 0.00 1.80 1.84 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 *43 Y 7.83 4.11 0.00 2.35 2.22 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 44 D 8.13 4.74 0.00 2.70 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 45 R 7.66 4.36 0.00 1.76 1.53 0.00 3.23 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 46 K 10.36 4.27 0.00 1.86 1.93 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.15 0.75 7.81 47 Q 9.55 4.26 0.00 2.13 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.72 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 48 S 7.89 4.57 0.00 3.60 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 49 G 8.24 3.75 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 0.00 0.00 0.00 *50 F 7.25 4.68 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 0.00 0.00 0.00 51 G 8.19 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 0.00 0.00 0.00 0.00 52 G 8.89 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 6.25 5.14 0.00 2.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.64 0.00 0.00 0.00 0.00 0.00 2.05 1.64 0.00 54 T 8.26 4.78 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 55 K 8.24 4.45 0.00 1.78 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.07 7.81 56 P 0.00 4.85 0.00 2.06 1.86 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 57 V 7.16 4.60 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 0.78 0.00 0.00 0.93 0.00 0.00 *58 F 7.85 4.46 0.00 2.23 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 *59 H 8.58 4.28 0.00 2.92 2.97 0.00 7.12 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 60 K 8.25 4.32 0.00 1.73 0.95 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 0.96 7.81 61 K 8.73 4.18 0.00 1.71 1.59 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.21 0.94 7.81 62 A 8.56 4.35 1.26 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 0.00 0.00 0.00 63 K 8.41 4.46 0.00 1.64 1.75 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 0.95 7.81 64 T 8.21 3.42 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 65 T 7.08 4.48 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 66 K 8.35 4.50 0.00 1.77 1.57 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.01 7.81 67 K 8.31 4.71 0.00 1.70 1.53 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.99 7.81 68 V 8.33 3.82 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 0.61 0.00 0.00 0.93 0.00 0.00 69 V 8.08 4.37 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 0.67 0.00 0.00 0.93 0.00 0.00 70 L 7.86 4.20 0.00 1.33 1.61 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.79 5.03 0.00 1.42 1.81 0.00 3.25 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 72 L 7.83 4.28 0.00 1.33 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.29 4.83 0.00 1.58 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 2.11 2.09 0.00 74 C 8.96 5.45 0.00 2.72 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 75 V 8.16 4.22 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 0.91 0.00 0.00 0.93 0.00 0.00 76 K 8.29 4.17 0.00 1.68 1.83 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 77 C 8.39 4.19 0.00 2.75 3.15 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 78 K 7.93 3.80 0.00 1.91 1.83 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.24 7.81 79 T 7.34 4.23 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 80 R 8.22 4.58 0.00 1.76 1.66 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 81 A 8.15 4.00 1.26 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 0.00 0.00 0.00 82 Q 9.05 4.55 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 83 L 8.65 4.60 0.00 1.43 1.47 0.92 0.78 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 84 T 9.11 4.77 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 85 L 8.48 4.57 0.00 1.36 1.45 0.92 0.65 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 86 K 8.51 4.55 0.00 1.62 1.70 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.25 7.81 87 R 9.20 4.71 0.00 1.53 1.71 0.00 3.36 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 88 C 7.99 5.66 0.00 2.78 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 89 K 8.38 4.72 0.00 1.71 1.54 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *90 H 8.46 4.89 0.00 2.92 2.87 0.00 7.21 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 F 7.50 4.72 0.00 2.00 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 0.00 0.00 0.00 92 E 8.62 4.79 0.00 1.59 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 2.08 1.73 0.00 93 L 8.06 4.35 0.00 1.33 1.58 0.92 0.67 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 94 G 8.78 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 0.00 0.00 0.00 95 G 8.61 3.53 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 96 E 8.29 4.25 0.00 1.94 1.64 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 2.12 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.