NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 G 3.9184 8.3549 109.7365 44.5331 0.0000 173.1368 44 P 4.1386 0.0000 0.0000 62.2373 31.8282 173.8999 45 N 4.9415 8.3855 118.4266 50.7398 42.9104 175.2501 46 K 3.4526 8.9493 125.5521 60.4858 32.3162 178.5851 47 E 4.0515 9.5994 120.7559 59.2527 29.3308 179.3049 48 T 3.9622 8.9631 117.4564 66.3604 68.6302 176.9465 49 I 3.6975 7.6797 114.6051 64.1741 37.5867 177.5556 50 N 4.2748 8.0120 118.6701 56.3220 38.7176 176.3822 51 R 3.8567 7.8270 119.9258 59.3855 30.1574 178.0045 52 E 3.9590 8.1624 116.6504 59.8468 29.3403 179.4592 53 V 3.6021 8.0241 119.0046 65.3501 31.3839 178.0124 54 S 4.0436 8.4989 113.5054 61.5661 62.2860 176.1180 55 I 3.7501 7.9039 122.4596 64.2450 36.7891 177.7018 56 L 4.0582 7.9955 121.1858 58.5652 41.7608 178.9356 57 R 3.9037 7.8908 117.8366 59.9254 30.0157 178.0210 58 H 4.2125 8.1198 117.6186 59.1670 29.9476 176.8997 59 S 4.0336 8.7668 115.7917 61.7047 62.2160 175.2641 60 Y 3.9571 7.9994 121.9514 61.1955 38.4120 177.5370 61 Q 3.9307 8.0674 119.3453 59.6676 28.7945 178.7271 62 K 3.8314 7.8284 118.4513 60.2497 32.4684 178.3817 63 E 3.8275 7.8759 117.7283 59.4361 29.1868 178.9525 64 I 3.6686 7.5629 117.8463 64.6193 38.1713 178.1419 65 Q 4.1215 8.2291 117.4569 57.8055 28.3560 178.6938 66 A 3.9226 8.6906 123.9552 54.9407 18.7586 179.4810 67 K 3.9038 8.0014 117.5257 59.5933 32.0311 178.1036 68 E 3.8825 7.9856 119.6173 59.6417 29.6516 178.9168 69 T 4.0713 7.8696 115.4039 66.6788 68.5287 176.2939 70 M 3.9462 8.3849 120.9610 58.4431 32.3271 177.9192 71 K 3.8367 8.6441 120.1983 59.6525 32.1729 178.6714 72 E 3.9039 7.9143 118.4184 59.4334 29.5132 178.9620 73 V 3.5851 7.6255 118.2579 66.2077 31.4088 178.1115 74 L 3.9983 7.8226 117.7945 57.8903 41.8038 179.1576 75 S 4.2339 8.1983 115.1971 62.0515 62.7238 176.7199 76 D 4.3055 8.3125 121.2424 57.0346 40.7994 177.8503 77 N 4.1952 8.1230 117.4279 57.3515 38.8414 176.6537 78 M 4.0186 8.5512 119.8303 58.3382 31.8645 178.0120 79 E 3.8848 7.6877 117.6652 59.5744 29.9925 178.9283 80 V 3.6425 7.8302 117.7242 65.9225 31.6045 177.3829 81 L 4.0298 7.8617 119.9507 58.5267 41.8182 178.9502 82 S 4.3272 8.6145 113.8729 60.7207 62.7741 175.6989 83 D 4.3604 7.7645 121.5552 57.1428 41.0463 176.7527 84 H 4.1052 7.2882 116.7806 58.7475 29.1324 175.6474 85 I 3.1020 7.4828 119.6161 59.8799 38.5500 173.5341 86 V 3.8662 8.1914 122.0151 61.8669 31.9103 175.6467 87 I 4.5884 8.1525 124.0782 58.8731 40.2872 174.9003 88 E 4.1345 8.7636 124.3007 58.2359 29.9193 175.8461 89 G 4.3336 9.3853 116.1835 45.3160 0.0000 173.6227 90 L 4.6429 7.2702 120.4951 52.5303 41.8382 175.7794 91 S 4.5578 7.7692 115.1910 58.0589 64.2331 174.5694 92 A 4.0165 8.7367 129.9417 55.7451 18.2800 178.0674 93 E 3.9107 8.3031 116.6028 58.7301 29.4808 178.5539 94 E 3.8906 8.0952 118.3517 60.1971 29.8220 178.9436 95 I 3.5852 8.4081 119.2248 64.7454 36.9438 178.0277 96 I 3.6337 7.7579 120.4461 64.8221 37.2690 177.5845 97 K 3.8819 8.0137 119.4172 59.9715 31.7943 178.3513 98 M 4.1309 8.1991 118.5936 58.6848 31.1889 179.2561 99 G 3.7921 8.0123 104.2436 46.9686 0.0000 175.4865 100 E 4.2320 8.9700 121.6497 58.9790 29.5245 178.9745 101 T 4.2984 7.3117 108.2159 63.4378 69.1946 175.0585 102 V 3.9935 7.0517 123.2498 61.2407 32.8440 175.2345 *103 L 4.1502 8.3793 126.0601 54.3668 41.4522 174.3429 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 43 G 8.35 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.14 0.00 2.13 2.03 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 45 N 8.39 4.94 0.00 2.67 2.59 0.00 0.00 7.09 6.63 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 46 K 8.95 3.45 0.00 2.01 2.11 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.58 7.81 47 E 9.60 4.05 0.00 2.06 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 2.33 2.44 0.00 48 T 8.96 3.96 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 49 I 7.68 3.70 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 1.52 0.77 0.91 0.00 0.00 50 N 8.01 4.27 0.00 3.02 2.86 0.00 0.00 6.88 8.93 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 51 R 7.83 3.86 0.00 2.07 2.04 0.00 3.17 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 52 E 8.16 3.96 0.00 2.24 2.22 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 2.53 2.40 0.00 53 V 8.02 3.60 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 54 S 8.50 4.04 0.00 4.03 3.96 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 0.00 0.00 0.00 55 I 7.90 3.75 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.92 0.00 0.00 56 L 8.00 4.06 0.00 1.92 1.84 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.89 3.90 0.00 1.93 1.95 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 58 H 8.12 4.21 0.00 3.22 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.77 4.03 0.00 3.96 4.09 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 60 Y 8.00 3.96 0.00 3.17 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 61 Q 8.07 3.93 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.40 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 62 K 7.83 3.83 0.00 1.86 1.86 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.60 7.81 63 E 7.88 3.83 0.00 1.60 1.66 0.00 0.00 0.00 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 2.27 0.00 64 I 7.56 3.67 1.78 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 1.55 1.21 0.99 0.00 0.00 65 Q 8.23 4.12 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 66 A 8.69 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.90 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 68 E 7.99 3.88 0.00 2.03 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 2.30 2.34 0.00 69 T 7.87 4.07 4.23 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 1.20 0.00 0.00 70 M 8.38 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 71 K 8.64 3.84 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 72 E 7.91 3.90 0.00 2.20 1.97 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 2.32 2.30 0.00 73 V 7.63 3.59 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 0.98 0.00 0.00 0.98 0.00 0.00 74 L 7.82 4.00 0.00 1.74 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.20 4.23 0.00 3.95 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 76 D 8.31 4.31 0.00 2.82 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 77 N 8.12 4.20 0.00 2.89 2.85 0.00 0.00 7.35 7.38 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 78 M 8.55 4.02 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 79 E 7.69 3.88 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 2.32 2.37 0.00 80 V 7.83 3.64 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 0.96 0.00 0.00 0.99 0.00 0.00 81 L 7.86 4.03 0.00 1.87 1.74 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.61 4.33 0.00 3.82 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 83 D 7.76 4.36 0.00 2.72 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 0.00 0.00 0.00 0.00 84 H 7.29 4.11 0.00 3.17 3.37 0.00 6.10 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.48 3.10 2.01 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 1.36 0.64 0.92 0.00 0.00 86 V 8.19 3.87 2.23 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 0.74 0.00 0.00 0.93 0.00 0.00 87 I 8.15 4.59 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.91 0.00 0.00 88 E 8.76 4.13 0.00 1.95 1.91 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 2.32 2.32 0.00 89 G 9.39 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 0.00 0.00 0.00 0.00 90 L 7.27 4.64 0.00 1.73 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.77 4.56 0.00 4.17 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 92 A 8.74 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.91 0.00 2.02 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 2.40 2.37 0.00 94 E 8.10 3.89 0.00 2.02 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 2.39 2.44 0.00 95 I 8.41 3.59 2.04 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 1.00 0.90 0.00 0.00 96 I 7.76 3.63 2.06 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 1.40 0.45 0.91 0.00 0.00 97 K 8.01 3.88 0.00 1.90 1.78 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 98 M 8.20 4.13 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00 99 G 8.01 3.79 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 0.00 0.00 0.00 100 E 8.97 4.23 0.00 1.97 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 2.36 2.45 0.00 101 T 7.31 4.30 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 1.28 0.00 0.00 102 V 7.05 3.99 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 *103 L 8.38 4.15 0.00 1.45 1.46 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.