NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3262 8.0327 117.3744 63.6462 71.2501 175.6862 4 V 3.3895 7.8340 120.7271 65.8057 31.3513 176.5037 5 Q 4.0380 8.4416 119.1450 58.4746 28.8703 177.8637 6 A 3.9996 7.8554 121.5905 55.3198 18.5902 179.5214 7 R 3.8435 8.6633 117.8232 59.4389 29.9667 178.5688 8 Q 3.9405 8.0204 119.3678 58.8361 29.0322 177.7559 9 L 3.9193 7.6360 121.4840 58.3210 42.1465 178.9502 10 L 3.9740 7.6623 118.9599 57.9160 41.5159 179.5576 11 S 4.2086 8.2215 113.2960 61.1411 62.3232 176.4482 12 G 3.6251 8.3329 108.8527 47.4705 0.0000 176.0068 13 I 3.7341 7.8876 122.2240 64.3621 37.1889 178.6220 14 V 3.6027 7.9464 119.2112 65.9830 31.2989 177.7935 15 Q 3.9589 8.2382 119.3958 59.2654 28.8938 178.0942 16 Q 4.1554 8.1917 120.4968 59.1132 28.9404 178.1766 17 Q 4.0025 8.0611 119.5085 58.7233 28.6231 178.0202 18 N 4.2897 8.0654 117.8553 56.5266 38.9014 176.4514 19 D 4.3838 8.1873 120.4027 57.6706 40.9296 179.0667 20 L 3.9720 8.0445 119.1525 57.6244 41.5178 179.4170 21 L 3.9451 8.2155 120.5613 58.2484 41.9801 179.2400 22 R 3.9051 8.3278 118.0901 59.0119 29.9822 178.7884 23 A 3.9840 8.2357 120.7680 55.3759 18.1969 179.6731 24 I 3.6610 7.8119 117.0951 64.5285 37.4816 178.2505 25 E 4.0565 8.5407 119.3902 59.3703 29.3429 179.0346 26 A 4.0752 8.2385 120.9956 55.6664 18.4239 179.8061 27 Q 4.0297 8.2296 116.0565 58.8421 28.6798 178.9191 28 Q 3.9244 7.9502 120.9922 59.3419 29.1310 177.7261 29 H 4.1716 8.1393 116.7803 58.8921 28.8172 177.5952 30 L 4.0181 7.9766 120.6710 57.8476 41.3952 179.5221 31 L 4.0451 8.0944 118.9652 57.9713 41.6886 179.4654 32 Q 4.0336 8.2977 119.3675 58.8777 28.9192 178.2298 33 L 4.1119 7.8999 120.5977 57.9270 41.6481 179.4966 34 T 4.0250 8.1753 109.8832 64.8334 68.8676 176.7180 35 V 3.8921 8.3097 121.4798 65.6768 31.4434 177.8815 36 W 4.2558 8.3855 127.9381 60.1979 30.4786 178.3820 37 G 3.6663 8.6191 105.8789 48.0222 0.0000 175.7882 38 I 3.6919 8.0505 121.7769 63.8708 37.1366 178.1767 39 K 4.0328 7.7115 119.5070 59.2052 32.0726 178.6497 40 Q 3.7821 7.3581 117.7472 58.0345 28.6203 177.6200 41 L 4.1092 7.3192 118.5317 57.6969 42.5793 176.2342 *52 M 4.4197 7.8652 114.6748 55.0398 32.4870 175.0864 53 E 3.9801 8.7761 116.4972 59.4960 29.6998 179.5750 54 W 4.1566 8.2846 128.1480 60.6738 31.0153 177.4998 55 D 4.2839 8.4423 118.3319 57.4217 40.2799 178.9075 56 R 3.9208 7.7973 118.6879 59.3325 30.1020 179.0203 57 E 4.0163 8.1211 118.2900 59.2008 29.4314 179.2101 58 I 3.4888 7.5760 120.1121 64.5854 37.1140 178.2509 59 N 4.2983 7.8941 116.6803 56.1855 38.3983 177.1259 60 N 4.1875 8.0593 118.5724 56.8123 38.9389 176.5581 61 Y 4.0895 7.9590 118.0130 60.9158 38.1152 178.0650 62 T 3.8909 8.1627 117.0424 66.5027 68.5133 176.6517 63 S 4.0557 8.0999 115.1027 61.2323 62.4192 175.8257 64 L 3.8954 7.7367 122.9328 58.3047 41.7353 178.8535 65 I 3.7133 8.0593 118.6844 64.4503 37.9486 177.6199 66 H 4.1313 8.2157 117.0302 58.6352 28.4671 177.7926 67 S 4.0979 8.1097 115.1111 61.4478 62.3013 176.2381 68 L 4.0393 8.3205 122.0855 57.7951 41.2926 179.6732 69 I 3.7339 8.0617 120.1655 64.2135 36.9532 178.0907 70 E 3.9224 8.2636 120.2233 59.2924 29.4245 178.4615 71 E 3.9182 8.2399 119.3847 59.3887 29.5705 178.9782 72 S 4.1227 8.2346 115.2825 61.5721 62.8640 176.7132 73 Q 3.9730 8.1695 120.7791 58.9250 28.5944 178.3711 74 N 4.2974 8.3833 117.7649 56.5868 38.5756 177.3121 75 Q 3.9975 8.3869 121.0282 59.0257 29.1017 177.9917 76 Q 3.9398 8.2758 121.0607 59.2169 29.2310 178.1137 77 E 3.9871 8.2638 119.6720 59.0736 29.4513 179.3331 78 K 3.9311 7.9892 119.4021 59.6525 32.3278 178.5468 79 N 4.3597 8.3513 116.9785 56.6208 38.3248 177.2440 80 E 4.0202 8.2060 119.6612 59.0702 29.3178 179.0992 81 Q 3.9893 7.7300 118.8718 59.0511 29.3218 177.5860 82 E 4.1054 8.7088 120.2119 59.2377 29.2577 179.0344 83 L 3.9806 7.9121 119.7055 57.9011 42.2476 178.3289 84 L 4.1567 7.5616 118.6278 56.5031 42.1661 176.9016 85 E 4.3963 7.6683 122.5109 56.7079 29.8954 175.3335 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 3 T 8.03 4.33 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 4 V 7.83 3.39 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 1.04 0.00 0.00 0.93 0.00 0.00 5 Q 8.44 4.04 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 6 A 7.86 4.00 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 7 R 8.66 3.84 0.00 1.96 2.09 0.00 3.10 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 8 Q 8.02 3.94 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 9 L 7.64 3.92 0.00 1.75 1.79 0.92 0.63 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 10 L 7.66 3.97 0.00 1.83 1.70 0.92 0.80 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 11 S 8.22 4.21 0.00 3.97 4.04 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 0.00 0.00 0.00 12 G 8.33 3.63 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 0.00 0.00 0.00 13 I 7.89 3.73 2.03 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 1.41 0.80 0.91 0.00 0.00 14 V 7.95 3.60 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 0.99 0.00 0.00 1.00 0.00 0.00 15 Q 8.24 3.96 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 16 Q 8.19 4.16 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 17 Q 8.06 4.00 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 18 N 8.07 4.29 0.00 2.82 2.94 0.00 0.00 7.16 9.28 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 19 D 8.19 4.38 0.00 2.96 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 20 L 8.04 3.97 0.00 1.99 1.71 0.96 0.43 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 21 L 8.22 3.95 0.00 1.82 1.86 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.33 3.91 0.00 2.03 1.97 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 23 A 8.24 3.98 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 24 I 7.81 3.66 2.02 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 1.52 0.69 0.89 0.00 0.00 25 E 8.54 4.06 0.00 2.17 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 2.32 2.54 0.00 26 A 8.24 4.08 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 27 Q 8.23 4.03 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 28 Q 7.95 3.92 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 29 H 8.14 4.17 0.00 3.43 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.98 4.02 0.00 1.89 1.74 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.09 4.05 0.00 1.87 1.74 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.30 4.03 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 33 L 7.90 4.11 0.00 2.03 1.75 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.18 4.02 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 1.34 0.00 0.00 35 V 8.31 3.89 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 1.10 0.00 0.00 1.01 0.00 0.00 36 W 8.39 4.26 0.00 3.66 3.45 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 37 G 8.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.05 3.69 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.58 0.00 0.00 39 K 7.71 4.03 0.00 2.10 1.80 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.41 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.38 1.52 7.81 40 Q 7.36 3.78 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 41 L 7.32 4.11 0.00 1.48 1.64 0.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *52 M 7.87 4.42 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.76 0.00 53 E 8.78 3.98 0.00 2.16 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 2.43 2.64 0.00 54 W 8.28 4.16 0.00 3.43 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 55 D 8.44 4.28 0.00 3.00 2.76 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 56 R 7.80 3.92 0.00 1.97 1.96 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 57 E 8.12 4.02 0.00 2.12 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 2.39 2.69 0.00 58 I 7.58 3.49 1.57 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 0.64 0.00 0.00 59 N 7.89 4.30 0.00 2.86 2.81 0.00 0.00 6.71 6.21 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 60 N 8.06 4.19 0.00 2.79 2.46 0.00 0.00 7.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.96 4.09 0.00 3.14 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 62 T 8.16 3.89 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 1.34 0.00 0.00 63 S 8.10 4.06 0.00 3.93 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 64 L 7.74 3.90 0.00 1.83 1.84 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.06 3.71 1.96 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 1.65 1.24 0.94 0.00 0.00 66 H 8.22 4.13 0.00 3.31 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.11 4.10 0.00 3.91 4.04 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 0.00 0.00 0.00 68 L 8.32 4.04 0.00 1.85 1.70 0.94 0.74 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 69 I 8.06 3.73 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.94 0.00 0.00 70 E 8.26 3.92 0.00 2.06 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 0.00 2.31 2.32 0.00 71 E 8.24 3.92 0.00 2.14 1.93 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 2.31 2.40 0.00 72 S 8.23 4.12 0.00 4.09 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 0.00 73 Q 8.17 3.97 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.76 0.00 74 N 8.38 4.30 0.00 2.88 2.87 0.00 0.00 6.70 8.08 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 75 Q 8.39 4.00 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 76 Q 8.28 3.94 0.00 2.32 2.26 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 2.51 2.45 0.00 77 E 8.26 3.99 0.00 2.19 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 2.33 2.67 0.00 78 K 7.99 3.93 0.00 1.86 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 79 N 8.35 4.36 0.00 2.90 2.86 0.00 0.00 7.11 8.44 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 80 E 8.21 4.02 0.00 2.04 1.99 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 2.33 2.46 0.00 81 Q 7.73 3.99 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 82 E 8.71 4.11 0.00 2.19 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 2.44 2.46 0.00 83 L 7.91 3.98 0.00 1.68 1.92 0.92 0.87 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 84 L 7.56 4.16 0.00 1.80 1.78 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.67 4.40 0.00 1.92 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 2.25 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.