NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9865 8.3093 122.8354 58.5819 39.4533 174.1785 2 D 4.4532 8.6233 127.3353 50.7348 41.4693 176.8344 3 L 3.7091 8.6740 119.7393 57.4378 41.8746 180.7797 4 N 4.2683 7.9654 116.2331 56.5680 38.7314 176.6487 5 D 4.4482 7.9042 120.0240 57.2985 40.7912 178.4162 6 F 4.3365 7.7543 120.3197 61.4382 39.2229 177.0515 7 L 3.9492 7.6734 119.1276 58.0643 42.0626 177.9614 8 E 4.2550 7.8952 117.2746 58.5418 29.5820 177.7775 9 Q 3.8050 7.8206 120.5472 56.9416 28.8616 176.8736 *23 K 4.3441 8.7285 127.2268 55.0351 33.8693 174.5056 24 V 4.0554 7.8029 116.0660 62.2818 32.4330 180.3280 25 L 4.3895 7.9999 124.3572 60.6644 40.8747 185.0000 26 V 4.2600 7.9242 121.7611 65.1286 30.9832 179.2252 27 R 5.0363 7.4785 118.7771 59.3569 30.2844 183.6792 *29 E 4.2719 8.0805 120.3365 57.3171 31.4416 178.0107 30 A 3.9914 7.3836 118.6967 55.6518 18.2995 179.4784 31 I 3.8995 7.0375 118.1046 63.9952 37.4617 178.3751 32 I 3.9948 7.6029 120.1773 63.9275 36.9852 177.3079 33 N 4.6335 8.3749 114.9777 54.2909 38.8699 175.4195 34 S 4.8107 7.6099 117.1403 58.1184 64.7304 174.8595 *36 T 4.2943 7.2228 116.3983 61.6576 70.1540 175.7321 *38 K 4.1569 8.8288 118.4272 56.4947 33.3863 176.9033 39 E 3.9055 7.6122 116.5717 59.9925 29.4498 179.9437 40 R 3.8650 8.1385 116.9705 58.3973 29.8181 178.5790 41 A 4.2924 7.1764 118.5777 52.5230 21.1334 177.3756 42 K 4.4802 8.3996 118.3387 53.1571 32.2728 174.2351 43 P 4.1950 0.0000 0.0000 65.0529 31.9742 178.3624 44 E 3.7711 8.4342 115.2021 59.3590 29.1517 178.4461 45 I 3.6716 7.4183 111.3477 63.0608 37.5607 175.9199 46 I 3.8659 8.4148 123.0133 61.4039 35.5840 174.6316 47 K 4.8610 8.1683 129.3173 54.3925 35.3685 175.8538 48 G 3.6845 9.1224 102.5581 49.5127 0.0000 175.5398 49 S 4.0227 8.5895 114.3605 61.0043 63.6707 175.3675 50 R 3.9524 7.4706 118.3227 59.2043 29.8626 178.9050 51 K 3.8428 8.1058 118.2921 59.9246 31.9441 179.3222 52 R 3.9497 7.5719 117.0581 59.2317 29.8924 179.2020 53 R 3.9009 8.0886 118.4441 59.4760 29.9401 178.4061 54 I 3.6439 7.7071 117.3572 64.7432 37.4910 177.4291 55 A 3.9923 8.1087 120.7969 55.6424 17.9516 179.3687 56 A 4.1416 7.8878 119.9364 54.9833 18.7064 179.2830 57 G 3.8231 8.0343 103.8794 47.3465 0.0000 173.8787 58 S 4.5966 8.4356 116.1541 59.3635 63.7999 174.1515 59 G 3.9401 8.1444 104.7368 47.5316 0.0000 173.0360 *61 Q 4.1319 7.2577 116.5746 55.4170 31.7910 176.4067 62 V 3.6683 8.1209 120.3024 65.9762 31.4313 178.0268 63 Q 3.9564 8.0678 117.2251 59.3832 28.3553 178.1444 64 D 4.3580 8.1226 120.4905 57.0240 40.8377 178.8904 65 V 3.5593 7.5343 117.8596 66.2799 31.5535 177.5765 66 N 4.3451 9.0280 119.5109 57.1043 38.2193 178.2254 67 R 3.9297 8.2844 121.9778 61.3066 29.5220 180.7054 68 L 4.4523 7.8896 121.4641 58.3104 42.0282 179.2101 69 L 3.9257 8.2011 118.7225 57.5744 41.4523 179.5888 70 K 3.9386 8.2204 119.8316 59.4030 31.9475 178.8908 71 Q 3.9722 8.6676 118.3001 58.9583 28.7892 178.1647 72 F 3.4736 8.3523 120.5753 61.0588 39.6274 176.0650 73 D 4.0658 8.0861 117.5453 57.4691 40.6894 178.7928 74 D 4.3651 7.5299 117.0754 56.1057 41.1419 178.4653 *76 Q 4.1983 7.9380 117.5067 55.0292 29.3862 177.7820 77 R 3.8208 7.9109 124.0368 56.4839 30.0356 178.0802 *80 K 4.2483 7.8367 116.6705 53.5267 34.2971 177.1397 81 K 4.2360 7.4754 121.3088 57.6500 32.8767 176.0521 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 F 8.31 4.99 0.00 3.04 3.20 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 0.00 0.00 0.00 0.00 2 D 8.62 4.45 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.67 3.71 0.00 1.62 1.61 0.65 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 4 N 7.97 4.27 0.00 2.97 2.85 0.00 0.00 7.02 7.61 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 5 D 7.90 4.45 0.00 2.58 2.87 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 6 F 7.75 4.34 0.00 2.84 3.21 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 0.00 7 L 7.67 3.95 0.00 1.82 1.91 0.89 0.71 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 8 E 7.90 4.26 0.00 2.15 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 2.53 2.54 0.00 9 Q 7.82 3.80 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 *23 K 8.73 4.34 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 24 V 7.80 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00 25 L 8.00 4.39 0.00 1.64 1.69 0.92 0.93 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 26 V 7.92 4.26 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 0.75 0.00 0.00 0.93 0.00 0.00 27 R 7.48 5.04 0.00 1.77 1.90 0.00 3.26 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 *29 E 8.08 4.27 0.00 2.04 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 2.25 2.50 0.00 30 A 7.38 3.99 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 31 I 7.04 3.90 1.90 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 1.55 1.00 0.94 0.00 0.00 32 I 7.60 3.99 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.05 0.89 0.00 0.00 33 N 8.37 4.63 0.00 2.82 2.86 0.00 0.00 6.89 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 34 S 7.61 4.81 0.00 3.98 3.82 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 0.00 0.00 0.00 *36 T 7.22 4.29 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 1.23 0.00 0.00 *38 K 8.83 4.16 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 39 E 7.61 3.91 0.00 2.23 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 2.30 2.35 0.00 40 R 8.14 3.86 0.00 1.79 1.88 0.00 3.06 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 41 A 7.18 4.29 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 42 K 8.40 4.48 0.00 1.68 1.61 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.63 7.81 43 P 0.00 4.20 0.00 2.17 1.90 0.00 3.63 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 1.55 1.91 0.00 44 E 8.43 3.77 0.00 2.08 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 2.29 2.29 0.00 45 I 7.42 3.67 1.86 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 1.57 0.57 0.97 0.00 0.00 46 I 8.41 3.87 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.89 0.00 0.00 47 K 8.17 4.86 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.33 7.81 48 G 9.12 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.59 4.02 0.00 3.90 3.86 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 0.00 0.00 0.00 50 R 7.47 3.95 0.00 1.85 1.95 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 51 K 8.11 3.84 0.00 2.06 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.63 7.81 52 R 7.57 3.95 0.00 2.12 1.99 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 53 R 8.09 3.90 0.00 1.87 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 54 I 7.71 3.64 2.00 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 1.71 0.77 0.94 0.00 0.00 55 A 8.11 3.99 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 56 A 7.89 4.14 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 57 G 8.03 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.44 4.60 0.00 3.91 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 59 G 8.14 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 0.00 0.00 0.00 *61 Q 7.26 4.13 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 62 V 8.12 3.67 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 1.09 0.00 0.00 0.93 0.00 0.00 63 Q 8.07 3.96 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 64 D 8.12 4.36 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.56 2.25 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 1.11 0.00 0.00 1.02 0.00 0.00 66 N 9.03 4.35 0.00 2.96 2.89 0.00 0.00 7.23 5.21 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 67 R 8.28 3.93 0.00 1.81 1.93 0.00 3.29 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 68 L 7.89 4.45 0.00 1.77 1.94 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.20 3.93 0.00 1.91 1.76 0.93 1.05 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 70 K 8.22 3.94 0.00 2.02 2.05 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 71 Q 8.67 3.97 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 72 F 8.35 3.47 0.00 2.27 3.02 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 73 D 8.09 4.07 0.00 2.88 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 74 D 7.53 4.37 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.20 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 7.37 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 77 R 7.91 3.82 0.00 1.76 1.89 0.00 3.09 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 *80 K 7.84 4.25 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 81 K 7.48 4.24 0.00 1.61 1.63 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.