NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7074 8.5187 118.6007 53.9028 40.9327 178.0128 0 A 4.0108 8.1396 118.6506 52.6335 17.5632 177.5204 2 S 3.4812 8.8020 115.0258 62.2423 66.1106 172.9627 3 Q 4.1846 8.2611 124.2564 58.7718 28.2818 178.3316 4 E 4.2534 8.7662 120.9829 58.7980 29.5095 179.1903 5 A 4.0084 8.0167 120.4592 55.0835 18.4345 179.2899 6 F 4.3445 8.3643 119.2593 61.3095 39.1609 177.4210 7 E 3.8284 8.5297 118.6053 59.2288 29.2049 178.7803 8 N 4.2921 8.4526 117.4156 56.5300 39.0356 176.8237 9 K 3.9170 8.0985 120.9762 59.4100 32.0583 178.7291 10 L 3.7762 7.4807 118.1603 57.8869 41.8255 178.4782 11 Y 4.1051 8.1772 119.2900 60.6342 38.7330 177.9032 12 A 4.0032 8.2730 121.6461 55.4933 18.5376 179.3980 13 N 4.3904 8.1852 114.2598 55.7304 38.5418 176.9966 14 L 4.1349 7.6152 119.8231 56.1832 41.4801 178.4910 15 E 3.9499 7.8280 118.2780 58.2867 29.4439 177.8265 16 A 4.4260 7.6842 119.2677 51.3785 19.2163 176.9309 17 V 3.9850 7.4746 119.1902 61.2534 32.0141 174.5942 18 I 4.5221 7.9703 128.3856 59.3648 38.7856 175.0572 19 D 4.4062 8.6288 125.1184 53.2656 40.8450 175.2424 20 P 4.2799 0.0000 0.0000 65.3359 31.6339 177.9104 21 E 4.1334 8.6951 117.7662 58.2377 29.5007 177.5638 22 L 4.4259 7.7966 116.1992 53.6831 43.3771 177.1441 23 G 3.8988 8.3342 105.9449 45.9342 0.0000 173.3307 24 V 4.4362 7.2835 118.2206 59.9205 34.5193 174.8768 25 D 4.9596 8.3331 125.7707 53.2040 41.5506 177.5375 26 I 3.7638 8.2649 114.8216 63.5327 37.6315 178.7090 27 V 3.3891 7.5905 120.1193 66.2070 31.2927 177.6424 28 N 4.4737 8.9792 115.1396 56.0503 38.4477 177.0790 29 L 4.4114 7.9578 119.3342 55.4577 41.6981 177.7698 30 G 4.2224 7.9163 106.0319 47.1120 0.0000 174.7776 31 L 3.9870 8.0121 120.5371 55.7315 41.8965 177.2882 32 V 4.0506 7.6731 118.5433 61.7095 31.5627 174.6535 33 Y 4.7639 8.6165 126.4019 60.1774 38.7831 175.6895 34 D 4.7768 7.6547 116.9074 53.0668 44.9136 174.3557 35 V 5.0334 8.4319 124.2530 61.3982 34.2484 174.5125 36 T 5.0957 9.1129 117.3343 60.0025 72.2926 172.7232 37 A 5.3282 9.2277 124.2738 50.6755 22.8075 175.6233 38 D 4.8638 8.6143 120.6498 51.3447 41.9790 176.8496 39 E 3.8949 8.7754 117.5650 59.4534 29.3234 177.9720 40 N 4.6887 8.2357 113.2688 52.6204 38.9724 174.5266 41 N 4.2691 8.2702 114.3656 54.1643 36.8757 173.4001 42 N 5.1544 8.5511 116.3209 53.1465 39.9234 174.0830 43 A 5.3368 9.4249 124.7058 50.0798 22.6735 175.0815 44 V 4.6756 9.1228 121.0380 61.1592 34.4801 174.2651 45 I 4.7901 8.9309 129.4499 60.0442 39.2866 174.7502 46 T 5.0102 8.9454 124.3083 60.7279 70.6462 174.0395 *48 T 3.9839 8.5579 117.0985 61.9518 67.6043 175.6156 *50 T 3.5784 8.5094 106.8485 60.9156 70.7266 173.9637 51 S 4.7978 7.5741 114.1257 56.8521 65.6623 174.9677 52 I 2.4466 8.5135 122.7562 64.3593 36.7054 177.9109 53 G 3.5863 7.3127 107.0869 46.5877 0.0000 173.0112 54 C 3.7872 7.7743 120.6553 59.5243 31.7537 172.4201 55 P 4.4420 0.0000 0.0000 62.8832 31.2584 177.1320 *57 A 4.3624 8.1443 122.9876 53.3384 20.8980 179.7685 58 G 3.6456 8.0473 101.9464 48.0978 0.0000 175.4686 59 Q 3.9990 7.9730 121.4925 58.8361 29.0840 178.1627 60 I 3.6941 7.5983 120.5326 64.1816 37.3674 178.3242 61 V 3.5087 8.0905 119.5620 66.0360 31.3425 177.8936 62 S 4.0855 8.0768 112.8144 61.6126 62.0945 175.9667 63 D 4.3054 8.0908 121.4982 57.1172 40.5714 178.6719 64 V 3.5253 8.0507 119.2005 66.2174 31.5279 178.3248 65 K 3.9848 7.8977 117.6796 59.1331 31.8128 179.4168 66 K 3.8931 8.1880 120.0461 59.3969 32.2001 179.1155 67 V 3.5499 8.0259 118.8431 66.0535 31.4093 178.0646 68 L 3.9883 7.8158 118.8510 57.8307 41.2796 179.7057 69 S 4.1512 8.0576 114.1627 61.5012 62.6809 176.7620 70 T 3.9963 7.8670 118.7089 66.3998 68.4686 176.1833 71 N 4.6949 8.4877 116.6624 53.6720 40.4432 175.7319 72 V 4.4730 7.9018 120.1623 60.4978 31.1550 173.9042 73 P 4.7303 0.0000 0.0000 63.0980 31.9749 177.9048 74 E 4.1964 8.1081 116.7318 57.4679 30.0927 177.4781 75 V 4.2136 8.0124 120.3964 62.1429 33.6642 175.0263 76 N 4.8321 8.8344 118.0581 53.4995 39.6799 178.5045 77 E 4.2450 7.7775 127.5413 57.2735 31.0646 175.3053 78 I 4.9590 8.2714 123.0111 59.5742 40.2963 174.2459 79 E 4.6610 9.1414 128.4941 54.2180 32.1527 174.5458 80 V 4.7607 8.3974 126.1707 61.2521 33.5113 174.0446 81 N 4.8065 9.0385 126.4675 51.6553 40.3682 174.2223 82 V 4.0063 8.2234 124.7024 61.8450 32.3037 175.5319 83 V 4.2637 7.6886 119.7606 59.3779 34.9233 175.7988 84 W 5.1075 8.5020 117.9180 56.2277 30.7050 175.1455 85 N 5.0805 8.0832 117.0401 50.8286 41.0582 172.1181 86 P 4.5768 0.0000 0.0000 61.8801 32.2849 174.3718 87 P 4.7899 0.0000 0.0000 61.9832 32.0185 176.5140 88 W 4.5258 8.8359 131.5150 57.8553 31.5456 174.9465 89 S 4.0631 6.7443 115.6828 56.3405 65.0448 175.3490 90 K 3.4242 7.7300 119.8396 59.3248 32.2856 178.1975 91 E 3.9557 7.3513 118.3210 58.8635 29.1893 177.9956 92 R 4.0813 7.4271 120.0725 54.5913 28.6525 175.5094 *94 S 4.1727 7.7190 116.4144 57.5022 64.5647 175.9217 95 R 3.8337 8.4050 116.2833 57.4107 29.7697 177.7251 *97 A 4.3112 8.1162 120.7935 51.7698 20.2274 179.8845 98 K 3.9638 8.5702 115.6340 59.6964 31.9303 179.5242 99 I 3.7063 8.1143 119.9933 64.5597 37.0936 178.5277 100 A 3.9632 7.9659 120.8580 54.9214 18.0470 179.2248 101 L 4.3298 8.0790 116.7285 57.0530 41.8983 179.1022 102 G 3.7725 7.7272 103.9263 46.2541 0.0000 174.9684 103 I 4.2431 6.9126 120.1480 63.0271 38.4312 175.8016 104 R 4.1603 8.4200 121.9112 56.4008 30.0167 176.3223 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 N 8.52 4.71 0.00 2.81 2.87 0.00 0.00 6.95 7.09 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 A 8.14 4.01 1.33 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 0.00 0.00 2 S 8.80 3.48 0.00 4.10 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 0.00 3 Q 8.26 4.18 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 4 E 8.77 4.25 0.00 2.02 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 2.44 0.00 5 A 8.02 4.01 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 6 F 8.36 4.34 0.00 3.21 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 7 E 8.53 3.83 0.00 2.19 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 2.42 2.46 0.00 8 N 8.45 4.29 0.00 2.88 3.00 0.00 0.00 6.85 7.50 0.00 0.00 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 K 8.10 3.92 0.00 1.90 1.86 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.49 7.81 10 L 7.48 3.78 0.00 1.62 1.56 0.60 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.18 4.11 0.00 3.11 3.05 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 12 A 8.27 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.39 0.00 2.92 2.83 0.00 0.00 7.09 6.79 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 14 L 7.62 4.13 0.00 1.56 1.50 0.80 0.81 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 15 E 7.83 3.95 0.00 2.04 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 2.26 2.30 0.00 16 A 7.68 4.43 1.29 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 0.00 0.00 17 V 7.47 3.99 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 0.90 0.00 0.00 0.86 0.00 0.00 18 I 7.97 4.52 1.84 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 1.27 0.97 0.88 0.00 0.00 19 D 8.63 4.41 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.28 0.00 2.05 2.08 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 21 E 8.70 4.13 0.00 1.90 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 2.32 2.35 0.00 22 L 7.80 4.43 0.00 1.57 1.69 0.90 0.92 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 23 G 8.33 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 24 V 7.28 4.44 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 1.08 0.00 0.00 0.95 0.00 0.00 25 D 8.33 4.96 0.00 3.05 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 26 I 8.26 3.76 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.84 0.00 0.00 27 V 7.59 3.39 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 0.91 0.00 0.00 0.31 0.00 0.00 28 N 8.98 4.47 0.00 2.76 2.90 0.00 0.00 7.20 8.24 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 29 L 7.96 4.41 0.00 1.63 1.76 0.83 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 30 G 7.92 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 0.00 0.00 0.00 0.00 31 L 8.01 3.99 0.00 1.52 1.66 0.65 -0.18 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 32 V 7.67 4.05 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 0.96 0.00 0.00 0.81 0.00 0.00 33 Y 8.62 4.76 0.00 3.06 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 34 D 7.65 4.78 0.00 2.84 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 5.03 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 0.89 0.00 0.00 1.10 0.00 0.00 36 T 9.11 5.10 4.26 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 1.29 0.00 0.00 37 A 9.23 5.33 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.86 0.00 2.93 2.86 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 39 E 8.78 3.89 0.00 1.97 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 2.31 2.35 0.00 40 N 8.24 4.69 0.00 2.69 2.80 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.27 4.27 0.00 2.86 2.87 0.00 0.00 7.05 6.50 0.00 0.00 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 N 8.55 5.15 0.00 2.95 2.76 0.00 0.00 6.69 6.97 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 43 A 9.42 5.34 1.22 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 0.00 0.00 44 V 9.12 4.68 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 1.11 0.00 0.00 0.95 0.00 0.00 45 I 8.93 4.79 1.83 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 1.21 0.90 0.87 0.00 0.00 46 T 8.95 5.01 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 1.23 0.00 0.00 *48 T 8.56 3.98 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 0.91 0.00 0.00 *50 T 8.51 3.58 3.89 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 0.33 0.00 0.00 51 S 7.57 4.80 0.00 4.02 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 52 I 8.51 2.45 1.57 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.25 0.00 0.00 53 G 7.31 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.77 3.79 0.00 3.13 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 55 P 0.00 4.44 0.00 2.19 2.10 0.00 3.65 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 2.06 0.00 *57 A 8.14 4.36 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 58 G 8.05 3.65 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 0.00 0.00 0.00 59 Q 7.97 4.00 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 60 I 7.60 3.69 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.47 0.81 0.00 0.00 61 V 8.09 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 0.96 0.00 0.00 0.90 0.00 0.00 62 S 8.08 4.09 0.00 4.01 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 63 D 8.09 4.31 0.00 3.01 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 64 V 8.05 3.53 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 0.98 0.00 0.00 0.88 0.00 0.00 65 K 7.90 3.98 0.00 1.99 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 66 K 8.19 3.89 0.00 1.97 1.78 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.57 7.81 67 V 8.03 3.55 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 0.89 0.00 0.00 0.92 0.00 0.00 68 L 7.82 3.99 0.00 1.74 1.67 0.87 0.80 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 69 S 8.06 4.15 0.00 4.08 4.15 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 70 T 7.87 4.00 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 1.21 0.00 0.00 71 N 8.49 4.69 0.00 2.72 2.94 0.00 0.00 6.79 7.70 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 72 V 7.90 4.47 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 1.28 0.00 0.00 0.91 0.00 0.00 73 P 0.00 4.73 0.00 2.24 2.26 0.00 3.46 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 74 E 8.11 4.20 0.00 2.05 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 0.00 2.40 2.17 0.00 75 V 8.01 4.21 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 0.82 0.00 0.00 1.14 0.00 0.00 76 N 8.83 4.83 0.00 2.70 2.13 0.00 0.00 7.00 7.56 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 77 E 7.78 4.24 0.00 2.11 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 2.34 2.30 0.00 78 I 8.27 4.96 1.87 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 1.25 0.80 0.90 0.00 0.00 79 E 9.14 4.66 0.00 2.02 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 2.30 2.21 0.00 80 V 8.40 4.76 2.04 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 0.80 0.00 0.00 0.89 0.00 0.00 81 N 9.04 4.81 0.00 2.61 2.67 0.00 0.00 6.17 7.77 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 82 V 8.22 4.01 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 0.13 0.00 0.00 0.78 0.00 0.00 83 V 7.69 4.26 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 0.86 0.00 0.00 0.86 0.00 0.00 84 W 8.50 5.11 0.00 3.33 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 85 N 8.08 5.08 0.00 2.75 2.73 0.00 0.00 7.09 7.69 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 86 P 0.00 4.58 0.00 2.20 2.01 0.00 3.87 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 1.71 1.73 0.00 87 P 0.00 4.79 0.00 2.19 2.18 0.00 3.74 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 2.09 2.17 0.00 88 W 8.84 4.53 0.00 3.33 3.29 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 89 S 6.74 4.06 0.00 3.74 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 90 K 7.73 3.42 0.00 1.82 1.88 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.34 7.81 91 E 7.35 3.96 0.00 1.80 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 2.26 2.16 0.00 92 R 7.43 4.08 0.00 1.81 1.97 0.00 3.18 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 0.00 *94 S 7.72 4.17 0.00 4.07 4.11 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 0.00 0.00 0.00 95 R 8.40 3.83 0.00 1.87 1.95 0.00 3.21 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 *97 A 8.12 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 3.96 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 99 I 8.11 3.71 1.88 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 1.46 0.96 0.92 0.00 0.00 100 A 7.97 3.96 1.33 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 0.00 0.00 101 L 8.08 4.33 0.00 1.77 1.78 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.73 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 0.00 0.00 0.00 103 I 6.91 4.24 1.88 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 0.94 0.92 0.00 0.00 104 R 8.42 4.16 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 * Residues marked with a * may have inaccurate shift predictions.