NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.4821 8.4449 116.7549 56.1720 32.4575 175.4729 12 E 4.6083 7.9602 122.8815 56.3379 30.9155 176.2889 *13 F 4.3534 8.7562 126.4407 58.3529 40.1310 172.0794 14 E 4.5262 8.5953 121.0166 55.9826 31.8484 174.7068 15 T 5.2908 8.3652 116.3024 60.2659 71.1149 172.6248 16 I 3.7927 8.7943 130.3929 61.4646 36.7488 175.5281 17 E 4.3094 8.6217 128.4233 57.4540 31.2737 175.5205 18 R 4.3849 7.1014 116.3348 55.6758 33.4993 173.0709 19 F 4.2178 8.9215 123.5675 56.6885 39.1873 175.3809 20 M 4.2784 8.8383 124.6887 57.2951 33.1929 175.5344 21 D 4.8180 7.3979 115.9984 53.8175 45.2867 173.1813 22 C 5.7273 8.6227 119.3934 58.4666 34.8352 172.6303 23 R 4.5169 9.0159 119.0155 55.7937 32.9325 173.2450 24 I 4.6254 8.3216 121.0292 59.9621 38.4601 175.4156 25 G 3.2330 8.7497 113.6873 43.2603 0.0000 171.1818 26 R 4.0445 7.2698 119.7979 56.2758 30.9303 175.9734 27 K 4.7525 7.6731 125.0793 57.7441 33.0800 177.3057 28 G 3.8844 9.1617 110.9743 45.3883 0.0000 173.6466 29 A 4.3118 7.2975 124.7559 51.0492 17.1629 175.5291 30 T 4.7857 7.0576 111.3076 60.3554 73.2320 175.1744 31 G 3.7761 9.0060 108.1808 43.7526 0.0000 173.4697 32 A 3.8642 8.6973 120.2510 55.6618 18.3067 179.9042 33 T 4.0408 7.8370 102.7155 63.5956 68.7682 174.7744 34 T 4.3705 7.6378 118.5783 64.1932 69.3771 175.8513 35 T 4.1229 7.4861 114.7594 60.7603 70.5832 174.8878 36 I 3.6184 7.5969 122.3031 64.5429 38.0254 177.9713 37 Y 4.2338 7.4139 117.8229 59.6742 37.9929 177.7284 38 A 3.9548 7.3791 122.8176 54.9247 18.5021 179.7057 39 V 3.7634 7.8362 118.4297 65.8154 31.4048 178.1880 40 E 3.9938 8.1226 116.7886 58.8977 29.2904 178.7532 41 A 4.3098 7.7531 119.9009 54.2036 19.2835 178.3924 42 D 4.7560 8.7974 114.0327 52.9940 41.6233 177.8727 43 G 4.0034 7.8572 105.3987 45.4096 0.0000 172.3586 44 D 4.7704 8.3418 119.5546 52.7366 41.5320 175.3064 45 P 4.4363 0.0000 0.0000 64.2551 31.8873 176.1107 46 N 4.6792 9.0806 117.5461 52.8628 39.2342 173.5136 47 A 4.0629 7.7324 119.6724 54.4707 18.6088 177.8392 48 G 4.0632 8.9518 109.4870 46.0865 0.0000 173.3964 49 F 4.2815 7.7610 119.6373 58.0530 40.0840 174.6759 50 E 4.2310 6.4981 124.0215 54.2383 33.0415 175.2146 51 K 3.9011 8.1913 123.5464 57.9284 33.1751 176.5748 52 N 4.1611 8.8959 120.1869 54.7931 37.5950 175.0168 53 K 4.3886 7.1108 116.4867 54.7976 33.1620 180.3258 54 E 4.7387 7.3143 112.2515 55.3496 31.5751 173.6196 55 P 4.2839 0.0000 0.0000 63.4903 32.2099 175.9630 56 G 4.6903 8.8297 111.0661 44.6461 0.0000 171.1966 57 E 4.8590 8.7405 118.1212 54.5816 34.6336 174.5051 58 I 4.4906 8.1442 121.8247 60.4797 38.9427 174.9120 59 Q 4.7605 9.3052 127.6704 54.2726 33.3680 173.6646 60 Y 5.3042 9.0476 119.6305 56.0858 41.6591 174.6891 61 L 3.4885 8.2148 126.6241 54.3594 43.3266 175.2924 62 I 4.0027 8.1124 128.2997 59.1031 39.5050 174.6473 63 K 4.4592 7.9230 129.1475 54.9751 33.4473 175.5496 64 W 4.9696 8.5154 127.5470 55.3177 31.1576 175.9187 65 K 4.4170 8.3610 125.0641 57.5763 31.8097 177.2766 66 G 3.7601 9.5415 114.5749 44.8667 0.0000 172.6135 67 W 5.0101 7.8512 118.8772 54.2145 32.6728 175.4988 68 S 4.4552 8.9817 117.5261 58.5936 63.0592 175.0238 69 H 5.1082 9.1754 116.9235 57.9097 28.6874 177.9989 70 I 3.8557 7.9303 112.8082 63.6596 37.5592 176.8873 71 H 4.6632 8.1429 116.3382 55.9098 29.3044 175.1489 72 N 5.2483 8.3417 118.6710 53.4911 39.6006 174.1383 73 T 4.8880 8.2320 110.7866 59.7477 73.0542 172.5461 74 W 4.9419 8.7262 122.8516 56.4718 30.8238 175.2829 75 E 5.2399 9.3252 122.6113 55.3034 34.2891 174.1695 76 T 4.8367 9.1856 116.7382 61.4692 71.8883 175.3345 77 E 4.1092 9.4646 126.3213 60.4546 29.4600 179.9772 78 E 4.0669 8.2362 117.9881 61.2835 29.7181 181.7961 79 T 4.1497 7.7950 109.5268 64.5054 69.1374 176.0978 80 L 4.2666 8.3127 122.1308 57.5016 41.8067 179.5939 81 K 4.0110 8.1427 118.4832 59.5107 31.9247 178.8879 82 Q 4.3079 8.0031 114.2715 57.5291 28.8666 176.8691 83 Q 4.3233 7.7935 118.7535 54.8044 30.4049 174.5058 84 N 4.2073 7.7892 116.0897 54.2435 36.2367 174.7775 85 V 4.3383 7.5717 109.8407 60.8013 33.4407 176.8413 86 R 4.3609 8.5619 121.9546 56.5512 31.3849 177.4937 87 G 4.2801 8.9766 108.5369 45.9397 0.0000 175.2954 88 M 4.3574 8.2625 120.8815 57.8441 31.7639 178.3463 89 K 3.9713 8.0747 119.6599 59.2391 32.3563 178.4280 90 K 3.8958 8.5784 119.3097 59.3805 31.9952 178.7738 91 L 3.1971 7.8507 120.2852 58.0621 41.8357 178.4537 92 D 4.3170 7.9833 116.7363 57.6379 40.8674 178.3174 93 N 4.3751 7.7666 114.9561 56.6452 38.8257 176.4277 94 Y 3.8932 7.7047 120.6654 60.4313 38.4092 178.1372 95 K 4.3036 7.4515 114.4659 57.2278 31.8858 177.1123 96 K 4.0440 7.8992 125.3090 56.8267 33.3394 175.7878 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 11 E 8.44 4.48 0.00 2.01 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 2.13 1.91 0.00 12 E 7.96 4.61 0.00 1.99 1.72 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 2.19 2.32 0.00 *13 F 8.76 4.35 0.00 2.07 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 14 E 8.60 4.53 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.29 0.00 15 T 8.37 5.29 4.33 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 1.31 0.00 0.00 16 I 8.79 3.79 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.66 0.36 0.00 0.00 17 E 8.62 4.31 0.00 2.12 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 2.21 2.23 0.00 18 R 7.10 4.38 0.00 1.82 1.57 0.00 3.22 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 19 F 8.92 4.22 0.00 2.62 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 20 M 8.84 4.28 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 21 D 7.40 4.82 0.00 2.58 2.31 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 22 C 8.62 5.73 0.00 3.54 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 23 R 9.02 4.52 0.00 1.66 1.78 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.07 0.00 24 I 8.32 4.63 1.96 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 1.31 0.49 1.01 0.00 0.00 25 G 8.75 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 0.00 0.00 0.00 26 R 7.27 4.04 0.00 1.94 1.67 0.00 3.31 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 27 K 7.67 4.75 0.00 2.14 1.79 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.34 7.81 28 G 9.16 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 29 A 7.30 4.31 1.14 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 0.00 0.00 30 T 7.06 4.79 4.48 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 1.24 0.00 0.00 31 G 9.01 3.78 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 0.00 0.00 0.00 32 A 8.70 3.86 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 33 T 7.84 4.04 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 1.19 0.00 0.00 34 T 7.64 4.37 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 35 T 7.49 4.12 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 0.96 0.00 0.00 36 I 7.60 3.62 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 1.63 1.25 1.03 0.00 0.00 37 Y 7.41 4.23 0.00 3.27 3.17 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 38 A 7.38 3.95 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 39 V 7.84 3.76 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 1.25 0.00 0.00 0.99 0.00 0.00 40 E 8.12 3.99 0.00 2.05 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 2.37 2.63 0.00 41 A 7.75 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.76 0.00 2.60 2.69 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 0.00 43 G 7.86 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 0.00 0.00 0.00 44 D 8.34 4.77 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 45 P 0.00 4.44 0.00 2.18 2.13 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 1.93 1.92 0.00 46 N 9.08 4.68 0.00 2.51 2.74 0.00 0.00 6.94 8.85 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 47 A 7.73 4.06 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 48 G 8.95 4.06 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 0.00 0.00 0.00 49 F 7.76 4.28 0.00 3.03 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 50 E 6.50 4.23 0.00 1.69 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 2.16 2.15 0.00 51 K 8.19 3.90 0.00 1.89 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.40 7.81 52 N 8.90 4.16 0.00 2.82 2.91 0.00 0.00 6.79 6.68 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 53 K 7.11 4.39 0.00 1.78 1.67 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.21 7.81 54 E 7.31 4.74 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.41 0.00 55 P 0.00 4.28 0.00 2.14 2.09 0.00 3.59 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 2.14 2.13 0.00 56 G 8.83 4.69 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 0.00 0.00 0.00 0.00 57 E 8.74 4.86 0.00 1.72 1.71 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 2.19 2.19 0.00 58 I 8.14 4.49 1.82 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 0.79 0.61 0.88 0.00 0.00 59 Q 9.31 4.76 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 60 Y 9.05 5.30 0.00 2.75 2.77 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 61 L 8.21 3.49 0.00 0.27 0.97 -0.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.11 4.00 1.21 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.44 -1.20 0.00 0.00 63 K 7.92 4.46 0.00 1.62 1.56 0.00 1.42 0.00 0.00 1.08 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.31 7.81 64 W 8.52 4.97 0.00 3.53 3.26 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 65 K 8.36 4.42 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.37 7.81 66 G 9.54 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 67 W 7.85 5.01 0.00 3.41 3.13 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 68 S 8.98 4.46 0.00 4.12 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 69 H 9.18 5.11 0.00 3.30 3.44 0.00 6.09 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.93 3.86 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.98 0.00 0.00 71 H 8.14 4.66 0.00 3.50 3.30 0.00 5.67 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 72 N 8.34 5.25 0.00 2.61 2.57 0.00 0.00 6.67 6.48 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 73 T 8.23 4.89 4.46 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 1.33 0.00 0.00 74 W 8.73 4.94 0.00 3.29 3.11 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 75 E 9.33 5.24 0.00 1.94 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 2.36 2.67 0.00 76 T 9.19 4.84 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 1.29 0.00 0.00 77 E 9.46 4.11 0.00 2.26 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 2.47 2.49 0.00 78 E 8.24 4.07 0.00 2.01 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 2.31 1.93 0.00 79 T 7.80 4.15 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 1.26 0.00 0.00 80 L 8.31 4.27 0.00 1.96 1.86 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.14 4.01 0.00 2.03 1.90 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.71 7.81 82 Q 8.00 4.31 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 83 Q 7.79 4.32 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 84 N 7.79 4.21 0.00 2.93 2.91 0.00 0.00 6.96 7.44 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 85 V 7.57 4.34 2.42 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 0.89 0.00 0.00 1.12 0.00 0.00 86 R 8.56 4.36 0.00 1.94 1.87 0.00 3.12 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 87 G 8.98 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 0.00 0.00 0.00 0.00 88 M 8.26 4.36 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 89 K 8.07 3.97 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 90 K 8.58 3.90 0.00 2.08 2.12 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.63 7.81 91 L 7.85 3.20 0.00 1.86 1.69 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.98 4.32 0.00 2.79 2.69 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 0.00 93 N 7.77 4.38 0.00 2.77 2.82 0.00 0.00 7.07 6.84 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 94 Y 7.70 3.89 0.00 2.29 2.15 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 95 K 7.45 4.30 0.00 1.91 1.80 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.54 7.81 96 K 7.90 4.04 0.00 1.60 1.57 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.