NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4592 8.1633 118.3246 55.2677 33.4879 173.6796 2 Q 4.8201 8.2154 118.6341 52.8978 30.9143 173.3339 3 I 4.6119 9.1388 117.2140 58.9192 42.2462 173.6892 4 F 5.4412 8.8019 120.9462 55.6894 42.4727 174.4949 5 V 4.8150 9.3140 123.4311 61.1385 34.0037 174.2305 6 K 5.0573 8.9684 128.6502 55.5843 33.6770 176.4417 7 T 4.8667 8.5718 114.8956 60.0464 71.4654 175.4239 8 L 4.3051 8.5988 120.9734 56.1927 41.9907 177.7328 9 T 4.2724 7.8917 108.3406 61.3958 68.9848 175.3404 10 G 3.8662 8.0775 109.7743 45.5282 0.0000 173.1715 11 K 4.6007 7.9696 120.6874 54.7978 34.7078 175.1850 12 T 4.9912 8.3838 121.9500 61.9348 70.8274 173.4257 13 I 4.4650 9.4098 129.5287 60.1659 39.0196 174.7697 14 T 5.0230 8.5945 117.5153 60.1560 70.4436 173.8920 15 L 4.7715 8.9011 125.7844 52.7107 45.2478 175.0142 16 E 4.7441 8.6281 123.5067 55.3999 30.3599 175.3714 17 V 4.7587 8.7430 119.7108 60.0055 36.5435 174.2370 18 E 4.7914 8.5979 119.4915 53.9417 32.6243 176.2863 19 P 4.2682 0.0000 0.0000 65.2646 31.5871 178.5143 20 S 4.3371 7.8975 110.8468 59.1663 63.8552 174.2684 21 D 4.3915 7.9198 122.9363 55.0235 41.3041 176.3791 22 T 4.6877 8.1957 113.5280 61.0745 71.5096 176.0630 23 I 3.7636 8.7121 123.0463 64.1909 37.0024 178.5922 24 E 3.9006 8.1104 120.0033 59.4119 29.6096 178.3225 25 N 4.3278 8.2545 116.5367 56.2603 38.4654 177.6200 26 V 3.5175 7.7329 119.4126 66.0443 31.6374 178.0891 27 K 4.4529 8.4927 119.4984 58.8618 31.8284 179.1453 28 A 3.9540 8.1140 120.8053 55.0283 18.3953 179.5418 29 K 3.9277 8.4121 117.4712 59.9513 32.1237 179.4947 30 I 3.6906 8.0427 120.0397 64.4649 36.8042 178.2550 31 Q 4.0619 8.0982 119.3833 59.1731 28.8792 177.8590 32 D 4.4794 8.0172 119.1415 57.3955 41.0440 178.4352 33 K 4.1762 7.8576 117.9942 56.2778 32.5751 176.9145 34 E 4.5668 8.5227 114.3994 55.9946 29.4512 176.6133 35 G 4.1003 8.6988 111.3646 46.2979 0.0000 172.8863 36 I 4.0789 7.9926 121.6980 59.0538 37.6759 174.2834 37 P 4.2708 0.0000 0.0000 62.3481 32.0451 175.5395 38 P 4.2184 0.0000 0.0000 65.9004 31.4016 177.8992 39 D 4.5004 8.0792 115.5897 55.1785 39.8158 176.4491 40 Q 4.5553 8.2172 117.9441 56.0641 30.3193 174.5567 41 Q 4.7192 8.1297 120.0559 54.8672 31.0481 174.7403 42 R 4.5471 9.0319 123.8081 54.4946 32.4752 174.8962 43 L 4.8983 8.3652 124.7433 53.6920 43.6784 175.9026 44 I 5.0239 9.2141 124.5797 59.5366 40.5091 174.5106 45 F 4.9693 9.0871 127.7064 57.2013 43.0750 174.1631 46 A 3.4422 8.9043 128.6015 53.1972 15.8366 177.6815 47 G 3.9505 8.2396 106.4665 46.0116 0.0000 173.6904 48 K 4.6108 7.9065 119.4552 54.2206 34.8716 174.8631 49 Q 4.6403 8.5223 124.4610 55.6307 29.8433 175.0553 50 L 3.8790 8.6358 127.3243 54.2320 42.9242 176.0372 51 E 4.4930 9.1826 123.3087 55.6797 30.7509 176.8886 52 D 4.3824 9.0491 125.7253 57.6678 41.0199 178.7870 53 G 3.7349 8.0958 104.3077 46.7680 0.0000 173.1827 54 R 4.4920 8.1465 120.1396 54.8733 32.0815 175.0094 55 T 5.0580 8.4351 108.9507 59.6426 71.4895 175.5989 56 L 4.1465 8.5292 122.0797 57.9218 41.4550 179.9648 57 S 4.1350 8.3124 114.3728 61.6532 62.5561 176.2274 58 D 4.3582 7.6006 119.7882 56.1604 40.4478 176.6779 59 Y 4.5648 7.6571 115.5454 56.8346 38.7142 175.5361 60 N 4.3475 8.1918 116.7852 54.3159 38.0524 173.8661 61 I 3.2885 7.0488 117.6560 60.7791 37.4070 175.4125 62 Q 4.6952 8.8431 124.9388 53.0256 32.2844 174.5288 63 K 3.9282 8.5790 116.9602 59.2969 32.3725 176.0732 64 E 3.6281 9.3732 120.0716 57.1820 27.9964 174.9440 65 S 4.5539 7.8658 115.1214 59.2306 64.2708 173.4232 66 T 5.1923 8.7811 118.2776 62.1353 70.9497 173.7371 67 L 5.0752 9.2814 126.6926 53.7166 44.9573 174.9922 68 H 5.2951 9.0902 116.8902 54.0401 32.1056 172.9224 69 L 5.0380 8.6908 124.2177 53.3779 43.7862 175.5831 70 V 4.4219 8.9727 126.2528 60.9599 34.4206 173.9569 71 L 4.8582 8.4084 129.7033 53.6620 42.5189 176.0540 72 R 3.9799 9.1007 130.6386 56.8410 31.0230 177.1305 *73 L 4.1503 8.3225 123.4162 54.5943 41.6629 176.6372 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 M 8.16 4.46 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 2 Q 8.22 4.82 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 3 I 9.14 4.61 1.81 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 1.09 0.96 0.75 0.00 0.00 4 F 8.80 5.44 0.00 3.00 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 5 V 9.31 4.81 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 8.97 5.06 0.00 1.51 1.58 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.34 7.81 7 T 8.57 4.87 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 1.22 0.00 0.00 8 L 8.60 4.31 0.00 1.67 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.89 4.27 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 10 G 8.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.97 4.60 0.00 1.86 1.66 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 12 T 8.38 4.99 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 13 I 9.41 4.47 1.90 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 1.42 1.22 0.93 0.00 0.00 14 T 8.59 5.02 4.31 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 1.61 0.00 0.00 15 L 8.90 4.77 0.00 1.46 1.52 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.74 0.00 1.92 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 2.21 2.36 0.00 17 V 8.74 4.76 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 0.68 0.00 0.00 0.88 0.00 0.00 18 E 8.60 4.79 0.00 1.97 1.78 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 2.18 2.37 0.00 19 P 0.00 4.27 0.00 2.15 2.07 0.00 3.56 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 2.09 2.04 0.00 20 S 7.90 4.34 0.00 3.96 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 21 D 7.92 4.39 0.00 2.97 2.62 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 22 T 8.20 4.69 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 1.22 0.00 0.00 23 I 8.71 3.76 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.40 0.95 0.00 0.00 24 E 8.11 3.90 0.00 2.04 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 2.38 2.40 0.00 25 N 8.25 4.33 0.00 2.92 2.85 0.00 0.00 6.72 7.27 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 26 V 7.73 3.52 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 1.08 0.00 0.00 0.91 0.00 0.00 27 K 8.49 4.45 0.00 1.97 1.85 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.47 7.81 28 A 8.11 3.95 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 29 K 8.41 3.93 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.62 7.81 30 I 8.04 3.69 2.14 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 1.40 0.81 0.91 0.00 0.00 31 Q 8.10 4.06 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 32 D 8.02 4.48 0.00 2.88 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 33 K 7.86 4.18 0.00 1.90 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.45 1.48 7.81 34 E 8.52 4.57 0.00 2.00 1.12 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 2.22 2.25 0.00 35 G 8.70 4.10 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 0.00 0.00 0.00 36 I 7.99 4.08 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 1.42 0.87 0.91 0.00 0.00 37 P 0.00 4.27 0.00 2.28 1.99 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 38 P 0.00 4.22 0.00 2.17 2.14 0.00 3.59 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 2.12 2.12 0.00 39 D 8.08 4.50 0.00 2.76 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 40 Q 8.22 4.56 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 41 Q 8.13 4.72 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 9.03 4.55 0.00 1.82 1.84 0.00 3.11 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.37 4.90 0.00 1.53 1.52 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.21 5.02 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 1.11 0.59 0.91 0.00 0.00 45 F 9.09 4.97 0.00 3.01 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 46 A 8.90 3.44 0.94 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 0.00 0.00 47 G 8.24 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.61 0.00 2.09 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 49 Q 8.52 4.64 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 50 L 8.64 3.88 0.00 1.33 1.09 0.71 -0.23 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 51 E 9.18 4.49 0.00 2.12 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 2.33 2.40 0.00 52 D 9.05 4.38 0.00 2.67 2.75 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 53 G 8.10 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 4.49 0.00 2.14 2.00 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 55 T 8.44 5.06 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 1.29 0.00 0.00 56 L 8.53 4.15 0.00 1.83 1.68 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.13 0.00 4.02 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 0.00 58 D 7.60 4.36 0.00 2.61 2.30 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 0.00 59 Y 7.66 4.56 0.00 3.10 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 60 N 8.19 4.35 0.00 2.95 3.05 0.00 0.00 7.13 7.40 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 61 I 7.05 3.29 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.36 0.63 0.00 0.00 62 Q 8.84 4.70 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 63 K 8.58 3.93 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.44 7.81 64 E 9.37 3.63 0.00 2.24 2.39 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 2.28 2.49 0.00 65 S 7.87 4.55 0.00 3.73 3.72 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 66 T 8.78 5.19 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 1.28 0.00 0.00 67 L 9.28 5.08 0.00 1.62 1.72 0.82 0.81 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 68 H 9.09 5.30 0.00 3.12 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.69 5.04 0.00 1.61 1.55 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.97 4.42 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 0.96 0.00 0.00 0.94 0.00 0.00 71 L 8.41 4.86 0.00 1.68 1.57 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.10 3.98 0.00 1.87 1.81 0.00 3.51 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 *73 L 8.32 4.15 0.00 1.45 1.47 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.