NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.4798 8.1985 120.8464 58.8643 33.5882 174.5945 7 A 3.9150 7.5087 120.9863 53.5606 19.0184 177.5200 8 Y 3.9709 7.8108 118.7393 60.5787 39.3253 175.8835 9 E 3.9423 8.2166 118.3013 59.2107 29.8066 178.5223 10 L 3.8988 7.2623 120.1113 57.9804 42.3849 178.7589 11 I 3.8760 7.6996 119.6824 63.9915 36.9220 178.2313 12 K 3.7726 7.7587 119.9075 59.0563 32.3680 178.3173 13 S 4.3592 8.2312 113.3538 59.4964 63.3002 175.7610 14 L 3.8989 7.5930 123.5194 57.8179 41.4273 177.2286 15 P 4.2773 0.0000 0.0000 66.3693 30.9379 178.1312 16 A 4.0263 7.9513 119.6718 54.6987 18.4220 179.6338 17 K 3.9453 7.9253 117.0059 59.6236 32.1474 179.6391 18 L 4.0371 8.0036 119.3217 57.5658 41.4096 179.1349 19 E 3.7080 8.0904 119.5226 58.9787 29.3883 178.8618 20 Q 4.1853 7.8168 119.6970 58.3216 28.7432 178.6349 21 L 3.9602 7.8903 119.6545 57.5894 41.5673 179.3105 22 A 3.8980 7.9703 120.6004 55.2999 18.4464 179.4192 23 Q 3.9321 8.1662 116.4350 59.3326 28.8677 179.2960 24 E 4.0822 8.3709 119.4116 59.7764 29.5412 179.7030 25 T 3.9192 7.9074 115.5043 66.9350 68.5723 176.8269 26 Q 4.0773 8.4885 120.0302 58.7740 28.5127 179.0389 27 A 3.9607 8.2240 122.1016 55.4972 18.3803 179.9256 28 T 3.8725 7.8590 106.6681 64.6781 68.9121 176.4933 29 I 3.8822 7.8530 123.0383 64.5061 37.0058 178.2780 30 Q 4.0869 7.7663 116.7841 58.2682 28.5935 177.9790 31 T 4.2930 7.4107 109.5319 61.6213 69.1697 174.1095 32 L 4.4990 7.5111 123.2154 53.7424 42.4589 176.9312 33 M 4.3425 8.3361 125.0407 54.1534 30.6787 174.9720 34 I 4.1423 7.7814 122.4785 60.3254 38.8450 175.7390 35 A 4.2455 8.4943 126.8979 54.1534 20.0608 176.6521 36 D 4.3505 8.0605 117.6734 54.1270 41.7359 174.9854 37 P 4.3252 0.0000 0.0000 65.8739 31.1654 178.0401 38 N 4.3604 8.2316 116.1585 56.0787 38.5273 177.3467 39 V 3.6111 8.8783 120.1430 66.0817 31.7282 177.9130 40 N 4.3536 8.2922 116.0829 55.7721 38.3209 177.3611 41 K 4.0224 7.8179 121.2397 59.2818 32.4193 178.6171 42 D 4.3565 8.0188 118.9635 57.5316 40.8354 178.8245 43 L 4.1309 8.2361 119.7083 57.8113 41.5826 179.6181 44 R 3.9906 8.0580 118.0616 59.1842 30.0260 178.4059 45 A 4.1320 8.0349 120.7127 54.7372 18.3633 179.3042 46 F 4.3400 8.1707 119.0718 61.4896 39.5178 177.4557 47 C 4.1572 8.4344 116.5730 62.4986 27.7978 175.8512 48 E 3.9033 8.2458 120.3374 59.4651 29.1249 179.0156 49 F 4.0003 8.0793 120.4862 61.4317 39.2119 177.1901 50 L 3.5774 7.6766 118.6922 57.4987 41.1915 179.4648 51 T 3.8629 7.6984 109.9756 64.5246 69.0624 177.1916 52 V 3.6906 7.8122 122.6495 64.8505 31.2992 177.8564 53 Q 3.6648 7.4419 119.8696 59.2409 28.8698 177.8410 54 H 4.3292 7.7121 115.5724 58.0743 28.8467 177.3734 55 Q 3.9793 7.4602 121.3230 58.6036 28.4322 178.4938 56 R 4.0466 7.8603 118.8777 59.0206 30.1018 178.8347 57 A 3.9581 7.7837 120.8052 55.0595 18.4147 178.8416 58 Y 3.9581 8.2026 118.1512 61.1401 38.8890 178.8180 59 R 3.8824 8.2703 118.5030 59.0364 30.2608 178.9196 60 A 3.9599 8.2146 120.9243 55.3496 18.4734 179.7558 61 T 3.7191 8.1848 108.5837 65.2189 68.6816 176.4118 62 N 4.3280 7.8191 119.5327 55.8068 38.2209 177.6599 63 S 4.0944 7.9206 115.9600 61.0382 63.1051 176.2940 64 L 4.0939 7.6740 122.9560 58.1514 41.8615 178.8794 65 L 4.2007 8.1071 117.0872 56.8751 41.5761 178.5734 66 I 4.0746 7.2860 117.7708 61.3266 38.3144 175.5035 67 K 4.2388 7.7026 121.0234 55.3005 32.6035 175.6131 68 P 4.2356 0.0000 0.0000 66.3323 31.1332 178.6036 69 R 3.8901 8.0004 117.5804 58.7598 29.9581 179.1383 70 V 3.5885 7.7260 117.1997 65.8534 31.7952 177.7952 71 A 4.1431 8.2361 120.3769 55.2615 18.1981 179.3706 72 A 3.8727 8.1956 119.1696 55.2595 18.1619 179.8027 73 A 3.9244 7.6739 117.8699 55.3477 18.4801 179.7183 74 L 4.1548 8.2673 117.0681 57.0454 41.7727 177.6045 75 R 4.7871 7.7834 118.3239 54.1767 33.0896 178.0197 76 G 3.8296 8.1321 106.1579 46.3380 0.0000 173.4478 77 E 4.5211 9.3235 121.0656 57.1119 28.5997 174.8667 *78 E 4.7761 7.9079 117.8750 56.3509 30.6956 179.4737 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 6 C 8.20 4.48 0.00 3.00 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 7 A 7.51 3.91 1.40 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 0.00 0.00 0.00 8 Y 7.81 3.97 0.00 3.24 2.98 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 0.00 0.00 0.00 9 E 8.22 3.94 0.00 2.25 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 0.00 2.42 2.49 0.00 10 L 7.26 3.90 0.00 1.71 1.91 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.70 3.88 1.80 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 1.36 0.98 0.80 0.00 0.00 12 K 7.76 3.77 0.00 1.34 1.77 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.27 7.81 13 S 8.23 4.36 0.00 4.06 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 0.00 14 L 7.59 3.90 0.00 1.77 1.75 0.89 1.20 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 15 P 0.00 4.28 0.00 2.45 2.53 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 16 A 7.95 4.03 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 K 7.93 3.95 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 18 L 8.00 4.04 0.00 1.85 1.70 0.91 0.82 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 19 E 8.09 3.71 0.00 1.92 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 2.10 1.74 0.00 20 Q 7.82 4.19 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 21 L 7.89 3.96 0.00 1.88 1.73 0.93 0.90 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 22 A 7.97 3.90 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 23 Q 8.17 3.93 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 24 E 8.37 4.08 0.00 2.01 2.02 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 2.34 2.43 0.00 25 T 7.91 3.92 4.50 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 1.42 0.00 0.00 26 Q 8.49 4.08 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 27 A 8.22 3.96 1.40 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 0.00 0.00 0.00 28 T 7.86 3.87 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 1.34 0.00 0.00 29 I 7.85 3.88 2.16 0.00 0.00 1.00 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 0.84 0.95 0.00 0.00 30 Q 7.77 4.09 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 31 T 7.41 4.29 4.25 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 1.28 0.00 0.00 32 L 7.51 4.50 0.00 1.80 1.66 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.34 4.34 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 34 I 7.78 4.14 2.11 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 1.35 0.50 0.95 0.00 0.00 35 A 8.49 4.25 1.27 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 0.00 0.00 0.00 36 D 8.06 4.35 0.00 2.72 2.63 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 0.00 37 P 0.00 4.33 0.00 2.30 2.31 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 38 N 8.23 4.36 0.00 2.93 2.90 0.00 0.00 6.81 7.68 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 39 V 8.88 3.61 2.20 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 1.11 0.00 0.00 0.95 0.00 0.00 40 N 8.29 4.35 0.00 2.80 2.87 0.00 0.00 6.68 6.61 0.00 0.00 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 K 7.82 4.02 0.00 1.94 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 42 D 8.02 4.36 0.00 2.96 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 43 L 8.24 4.13 0.00 1.72 1.78 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.06 3.99 0.00 2.09 2.10 0.00 3.10 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 45 A 8.03 4.13 1.48 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 0.00 0.00 46 F 8.17 4.34 0.00 3.20 3.32 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 47 C 8.43 4.16 0.00 3.21 2.97 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 48 E 8.25 3.90 0.00 2.26 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 2.33 2.48 0.00 49 F 8.08 4.00 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 50 L 7.68 3.58 0.00 1.73 1.53 0.84 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.70 3.86 4.18 0.00 0.00 0.00 0.00 0.00 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 52 V 7.81 3.69 1.89 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 1.03 0.00 0.00 0.89 0.00 0.00 53 Q 7.44 3.66 0.00 1.43 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 54 H 7.71 4.33 0.00 3.51 3.48 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.46 3.98 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.12 2.35 0.00 56 R 7.86 4.05 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 57 A 7.78 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 3.96 0.00 3.22 3.10 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 59 R 8.27 3.88 0.00 2.06 1.98 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 60 A 8.21 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 3.72 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 1.19 0.00 0.00 62 N 7.82 4.33 0.00 2.56 2.69 0.00 0.00 7.09 7.86 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 63 S 7.92 4.09 0.00 3.99 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 64 L 7.67 4.09 0.00 1.84 1.80 0.92 0.52 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 65 L 8.11 4.20 0.00 1.52 1.73 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.29 4.07 1.98 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 1.52 0.75 0.93 0.00 0.00 67 K 7.70 4.24 0.00 1.89 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.67 7.81 68 P 0.00 4.24 0.00 2.25 2.32 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 69 R 8.00 3.89 0.00 1.88 2.03 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 70 V 7.73 3.59 2.36 0.00 0.00 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 0.94 0.00 0.00 71 A 8.24 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.87 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.67 3.92 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 74 L 8.27 4.15 0.00 1.94 1.90 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.78 4.79 0.00 1.95 1.89 0.00 2.88 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.12 0.00 76 G 8.13 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.32 4.52 0.00 1.98 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 2.17 2.32 0.00 *78 E 7.91 4.78 0.00 2.04 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 1.98 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.