NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7507 8.2085 109.7360 45.4993 0.0000 175.3550 *2 A 4.2725 9.0986 126.0047 51.9159 21.1279 178.6961 3 D 4.5871 7.7933 113.5206 55.3623 41.4441 176.7749 4 I 4.2157 7.4104 120.3845 59.8518 38.4836 175.9498 5 D 4.5028 8.4373 124.3052 53.3100 41.1698 177.2070 6 Q 3.9199 8.7162 122.2375 59.5721 29.0525 178.7620 7 A 3.9900 7.9996 121.0106 55.3784 18.1907 179.6482 8 S 4.0437 8.2187 112.3994 61.5531 63.0007 176.3809 9 K 4.0423 7.8813 121.0498 59.9217 32.1183 178.5826 10 T 4.0810 8.0720 115.8786 66.5487 68.3325 177.2654 11 E 4.2461 7.9439 117.2160 57.1341 29.2295 178.7255 *13 E 4.2411 8.1698 120.4649 56.5400 31.7493 177.9047 14 A 4.0583 8.3728 120.3666 55.3788 18.3030 179.3491 15 A 3.9804 8.5492 119.1864 55.5047 18.4250 179.7446 16 A 3.9808 8.0452 118.6187 55.0871 18.5141 179.4394 17 F 4.1107 8.5432 119.2590 61.7047 39.5287 177.4473 18 R 3.8618 8.4359 117.8565 59.6166 29.7522 178.4737 19 H 4.0823 8.5832 118.2188 59.1178 29.7607 177.0124 20 L 3.8885 7.9104 122.0937 58.1301 41.8978 178.8604 21 L 3.6784 7.5836 118.8159 57.8064 41.5142 179.8058 22 R 3.8243 8.0019 117.8926 59.3374 29.7742 178.3684 23 H 4.0881 8.2125 117.1003 59.5471 30.1645 176.9339 24 L 4.0891 8.1134 120.7358 57.7968 41.1831 179.0406 25 D 4.3494 7.9671 117.0800 56.8824 41.2167 177.2831 26 E 4.2460 7.8804 116.6792 56.8082 31.1176 175.9608 27 H 5.1051 7.7272 115.2514 53.4300 29.2516 174.8583 28 K 4.2906 7.8118 118.1561 58.6521 32.9698 178.8446 29 D 4.3753 8.0134 118.2450 55.1284 39.7326 175.9663 30 V 3.8208 7.8497 120.7952 62.3768 31.2972 175.9036 31 Q 4.4989 8.4496 127.0068 55.2039 30.7687 176.6134 32 N 4.2710 8.8557 121.2474 56.6634 38.7825 177.2961 33 I 3.8399 7.7255 118.3751 64.1115 38.3646 177.2443 34 D 4.5900 8.0511 119.4999 57.0296 40.7061 178.6785 35 L 3.8365 7.5852 115.6764 55.7580 41.2028 179.0161 *37 I 4.0976 7.5729 120.0992 61.7284 38.9846 177.3055 38 Q 4.1073 8.6213 117.7555 58.2813 28.5248 177.0740 39 A 4.6412 8.3123 117.6571 50.7516 20.3224 176.0176 40 D 4.7833 8.6909 113.5070 54.3687 39.6646 172.6713 41 F 5.0197 7.5259 110.3714 55.6110 41.0453 172.9579 42 C 4.1301 7.9294 114.0314 56.3498 32.0130 174.2676 43 R 3.6926 8.3583 117.3854 59.8106 29.2511 178.8536 44 N 4.4362 7.9882 115.8724 56.2871 38.5443 177.1171 45 C 3.8548 7.7164 118.4054 62.5161 28.0837 176.0134 46 L 3.7954 7.4984 119.8794 57.5020 40.9897 179.3152 47 A 4.0752 7.6502 119.7941 55.0536 18.4546 179.0926 48 K 4.1075 8.0167 116.9585 59.7603 32.5232 178.6819 49 W 4.6739 8.5044 119.5001 59.5317 28.9067 179.1160 50 L 3.8821 8.0364 117.2787 55.2264 41.1079 178.9381 *52 E 4.3359 8.2478 120.5905 56.4611 31.6983 178.2570 53 A 4.2584 8.2286 121.5724 54.1257 18.3487 179.3279 54 A 3.9179 8.5209 119.8520 55.8282 18.4424 179.8891 55 T 3.8158 7.9142 113.4727 67.0134 68.6296 176.4639 56 E 4.0093 8.0991 119.7823 59.0290 29.2402 178.4483 57 Q 4.5297 7.8661 115.3533 54.9285 29.0976 176.0591 58 G 3.8808 7.8154 107.8959 46.4759 0.0000 173.8278 59 V 4.4733 7.7401 111.5199 59.0733 34.8291 174.7396 60 E 4.6635 8.4291 120.0919 54.6080 31.1341 175.9743 61 L 4.4594 8.2770 124.8696 52.8617 45.0744 175.3674 62 D 4.8800 8.4838 126.1200 52.0829 42.8788 176.6453 63 Y 4.2859 8.4124 119.2995 60.9401 38.6037 177.4318 64 D 4.3509 8.2335 119.5852 57.2495 41.0229 178.7926 65 G 3.6161 8.7639 106.2734 47.6851 0.0000 175.5692 66 A 4.1180 8.2897 123.5064 55.0792 18.4539 179.9535 67 R 3.9475 8.2690 117.0050 59.3903 30.1449 178.8917 68 E 4.0442 8.5821 119.4831 59.3375 29.3704 178.3425 69 Y 4.1003 7.9372 118.7340 60.7186 39.0368 177.7642 70 V 3.4286 7.8197 117.7771 66.1055 31.7812 177.1230 71 Y 3.8940 8.5717 114.4148 58.0437 37.9116 176.5925 72 G 3.7573 7.5633 107.3586 46.0523 0.0000 171.9821 *74 P 4.2004 0.0000 0.0000 61.6121 33.5445 176.7932 75 F 3.6575 8.7935 123.3906 61.6066 39.2360 177.3625 76 A 3.9325 7.9849 119.5810 54.9706 18.1585 179.1417 77 E 3.8022 7.9828 117.3705 58.9641 29.8224 178.3439 78 W 4.2142 7.9925 128.4769 60.4963 30.6127 177.6744 79 K 3.7515 7.9594 119.6933 59.8393 31.3147 178.8142 80 T 3.7250 7.2939 114.1448 66.5836 68.4354 176.2707 81 L 3.8158 7.5174 119.4131 56.4293 41.7727 177.4515 82 Y 4.3188 7.4720 114.0508 57.6917 40.2676 175.7513 83 Q 4.2383 7.3558 120.3480 55.0099 29.9290 174.7980 84 K 4.5864 8.2772 124.1373 53.6689 34.2758 174.5610 85 P 4.4427 0.0000 0.0000 61.9563 32.0923 175.9742 86 A 4.2527 8.2985 122.2248 52.5122 18.9561 178.3395 87 S 4.5365 9.1507 116.7225 57.4229 65.5595 175.4841 88 E 3.9436 8.6982 121.1542 59.7331 29.0739 179.5809 89 A 4.0083 7.9599 120.0761 55.2334 18.4387 179.5985 90 Q 3.9726 8.1604 116.6023 58.9418 28.8191 178.7293 91 L 3.9698 8.0899 119.7792 57.8340 41.6783 179.1394 92 A 4.0047 8.2483 120.5053 55.5966 18.0895 179.6929 93 A 3.9803 8.1176 117.5777 54.9187 18.5318 179.4652 94 F 4.1844 8.7661 119.9814 61.6249 39.3420 177.3742 95 E 4.0555 8.8158 116.9997 59.2769 29.2437 178.9429 96 A 4.1376 8.0916 120.5257 54.0006 18.5118 178.0204 97 K 4.1931 7.4841 120.7195 56.5445 32.6052 176.1121 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 8.21 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 *2 A 9.10 4.27 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 3 D 7.79 4.59 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.41 4.22 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 1.47 0.62 0.91 0.00 0.00 5 D 8.44 4.50 0.00 2.86 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 6 Q 8.72 3.92 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 7 A 8.00 3.99 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 8 S 8.22 4.04 0.00 4.05 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 9 K 7.88 4.04 0.00 1.75 2.13 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.49 7.81 10 T 8.07 4.08 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 1.20 0.00 0.00 11 E 7.94 4.25 0.00 2.16 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 2.48 2.51 0.00 *13 E 8.17 4.24 0.00 2.19 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 0.00 2.30 2.48 0.00 14 A 8.37 4.06 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 15 A 8.55 3.98 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 16 A 8.05 3.98 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 17 F 8.54 4.11 0.00 3.26 3.33 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 18 R 8.44 3.86 0.00 2.08 2.01 0.00 3.31 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 19 H 8.58 4.08 0.00 3.33 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.91 3.89 0.00 1.74 1.59 0.94 0.55 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 21 L 7.58 3.68 0.00 1.61 1.36 0.58 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.00 3.82 0.00 1.94 2.09 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 23 H 8.21 4.09 0.00 3.15 3.55 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 24 L 8.11 4.09 0.00 1.56 1.54 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.97 4.35 0.00 2.62 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 E 7.88 4.25 0.00 2.09 1.82 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 2.26 2.37 0.00 27 H 7.73 5.11 0.00 3.13 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.81 4.29 0.00 1.54 1.55 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 29 D 8.01 4.38 0.00 2.84 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 30 V 7.85 3.82 2.28 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 0.76 0.00 0.00 0.94 0.00 0.00 31 Q 8.45 4.50 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 32 N 8.86 4.27 0.00 2.78 2.91 0.00 0.00 6.92 7.45 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 33 I 7.73 3.84 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.66 0.93 0.00 0.00 34 D 8.05 4.59 0.00 2.88 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 35 L 7.59 3.84 0.00 1.61 1.30 0.69 0.67 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 *37 I 7.57 4.10 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 0.95 0.00 0.00 38 Q 8.62 4.11 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 39 A 8.31 4.64 1.45 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 40 D 8.69 4.78 0.00 2.88 2.90 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 41 F 7.53 5.02 0.00 2.99 3.12 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 42 C 7.93 4.13 0.00 3.09 3.01 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 43 R 8.36 3.69 0.00 1.50 1.13 0.00 2.35 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.42 0.00 44 N 7.99 4.44 0.00 2.73 2.97 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 45 C 7.72 3.85 0.00 2.51 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 0.00 0.00 0.00 0.00 46 L 7.50 3.80 0.00 1.79 1.98 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.65 4.08 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 48 K 8.02 4.11 0.00 1.79 1.98 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.78 1.53 7.81 49 W 8.50 4.67 0.00 3.55 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 50 L 8.04 3.88 0.00 2.01 1.73 1.33 0.86 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 *52 E 8.25 4.34 0.00 2.29 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 0.00 2.35 2.61 0.00 53 A 8.23 4.26 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 54 A 8.52 3.92 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 55 T 7.91 3.82 4.40 0.00 0.00 0.00 0.00 0.00 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 56 E 8.10 4.01 0.00 2.18 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 2.30 2.52 0.00 57 Q 7.87 4.53 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 58 G 7.82 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 0.00 0.00 0.00 59 V 7.74 4.47 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 0.79 0.00 0.00 0.97 0.00 0.00 60 E 8.43 4.66 0.00 1.93 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 2.22 2.21 0.00 61 L 8.28 4.46 0.00 1.52 1.51 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.48 4.88 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.41 4.29 0.00 2.96 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 64 D 8.23 4.35 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.62 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 0.00 0.00 0.00 66 A 8.29 4.12 1.50 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 0.00 0.00 67 R 8.27 3.95 0.00 1.62 1.81 0.00 2.52 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.00 68 E 8.58 4.04 0.00 2.16 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 2.39 2.46 0.00 69 Y 7.94 4.10 0.00 3.04 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 70 V 7.82 3.43 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 0.45 0.00 0.00 1.04 0.00 0.00 71 Y 8.57 3.89 0.00 2.94 2.81 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 0.00 0.00 0.00 72 G 7.56 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 P 0.00 4.20 0.00 2.22 2.05 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 75 F 8.79 3.66 0.00 2.69 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 76 A 7.98 3.93 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 77 E 7.98 3.80 0.00 2.04 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 2.38 2.32 0.00 78 W 7.99 4.21 0.00 3.41 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 79 K 7.96 3.75 0.00 1.01 1.61 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.65 7.81 80 T 7.29 3.72 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 1.09 0.00 0.00 81 L 7.52 3.82 0.00 0.78 0.48 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.47 4.32 0.00 1.43 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 0.00 0.00 0.00 0.00 83 Q 7.36 4.24 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 84 K 8.28 4.59 0.00 1.77 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.32 7.81 85 P 0.00 4.44 0.00 2.17 2.05 0.00 3.76 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 1.98 1.95 0.00 86 A 8.30 4.25 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 87 S 9.15 4.54 0.00 4.04 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 88 E 8.70 3.94 0.00 2.04 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 2.41 2.40 0.00 89 A 7.96 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 90 Q 8.16 3.97 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 91 L 8.09 3.97 0.00 1.89 1.76 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.25 4.00 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 93 A 8.12 3.98 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 0.00 0.00 94 F 8.77 4.18 0.00 3.24 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 95 E 8.82 4.06 0.00 2.17 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 2.69 2.55 0.00 96 A 8.09 4.14 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 97 K 7.48 4.19 0.00 1.55 1.59 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.