NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7144 8.4093 119.2051 53.4775 40.8964 173.5471 18 T 4.4580 7.3076 105.6358 58.2914 71.3836 170.7882 19 P 4.5134 0.0000 0.0000 62.3839 33.2482 177.0652 20 V 4.3422 8.0111 119.1683 60.0623 33.3386 175.5421 21 V 4.1339 8.1262 115.7589 60.1520 32.7600 175.4772 22 I 4.4769 8.1095 124.5860 59.6561 39.5254 174.6568 23 H 4.8283 8.5778 121.1684 53.4713 31.5436 173.3065 24 A 4.1424 8.7491 128.1095 52.5191 18.7177 176.9465 25 T 4.5538 8.3538 110.5266 61.4735 70.0125 173.8743 26 Q 4.5673 7.3881 119.3515 54.4640 32.8269 173.7220 27 L 4.1736 8.2149 122.2521 53.8628 42.8802 175.0973 28 P 4.2083 0.0000 0.0000 62.9647 31.7959 175.4141 29 Q 4.4900 8.2250 122.4270 54.0669 30.8470 174.8050 30 H 4.1516 8.9134 123.5233 55.8795 29.2052 175.1369 31 V 4.2186 8.0850 124.4032 59.8875 33.1180 176.5378 32 S 4.3984 8.8045 118.3467 58.5666 64.8000 175.4785 33 T 4.0873 8.4083 115.6757 65.2558 66.9140 175.5517 34 D 4.4624 8.1048 119.6147 56.9299 41.3117 177.9274 35 E 4.0522 8.2798 119.7812 59.1161 29.4136 179.4767 36 V 3.6403 7.8156 119.3988 64.7566 31.2721 178.1888 37 L 3.8934 7.7795 120.7213 57.7750 41.9902 178.5874 38 Q 4.0446 7.8421 119.3713 58.3552 28.9867 177.6480 39 F 4.2304 8.3170 122.0389 61.1276 39.4248 177.0247 40 L 3.5445 8.1524 118.9113 57.6214 41.5291 178.8159 41 E 3.8327 7.7143 119.2190 59.6174 29.5369 178.9372 42 S 4.0452 7.8137 112.3669 61.2993 62.4206 175.9313 43 F 4.0935 8.2116 123.7376 61.6295 38.9898 176.6360 44 I 3.3408 8.0872 119.8548 63.7767 36.5325 177.4577 45 D 4.3649 8.0581 117.8377 57.7235 40.9765 178.9569 46 E 3.8541 7.7853 117.8774 59.3678 29.7348 178.6475 47 K 3.9474 7.6566 117.4243 58.6724 32.2298 178.1992 48 E 4.1186 8.5285 118.2645 56.0409 29.9697 176.0928 49 N 4.4472 6.8861 116.3806 53.7206 39.6495 174.5914 50 I 3.8690 7.8976 123.0625 62.1144 37.8263 175.9458 51 I 3.2443 8.3950 119.4099 62.5678 34.1899 174.4072 52 D 4.3794 7.6431 120.9898 53.1606 39.8085 174.1762 *78 I 3.9982 8.2208 117.3400 61.3055 37.8455 173.6113 79 D 4.3643 7.8228 126.3372 51.0274 41.4114 176.2954 80 T 3.5050 8.6795 117.7863 64.6054 66.3833 172.1182 81 N 4.1966 7.7897 114.8811 54.1085 37.1353 176.2250 82 L 4.2818 8.9104 120.5466 56.4157 42.2058 178.9070 83 S 4.0809 7.8506 115.2097 62.0983 62.9513 176.3701 84 S 4.1390 7.9665 116.4754 61.4070 62.9112 176.1066 85 S 4.1468 7.7788 119.0435 61.6483 62.6882 176.8367 86 I 3.7047 7.9623 122.2516 64.4891 36.3684 178.2800 87 S 4.0836 8.0357 113.9127 61.5839 62.2200 176.1035 88 Q 4.0120 8.2229 122.1501 59.2018 28.8252 178.2325 89 L 4.1407 7.9638 119.8927 57.4576 41.5937 179.5307 90 K 4.0937 7.9956 118.7164 59.1158 31.9808 179.6124 91 R 3.9925 7.7861 118.0817 59.0835 29.9286 179.0162 92 I 3.8200 7.6901 119.1383 64.5139 37.1291 177.9150 93 Q 4.0189 8.1754 120.3487 59.4235 28.8063 178.7526 94 R 3.8889 8.0754 119.2777 59.5975 29.9614 177.6709 95 D 4.3724 8.0203 116.3068 57.7730 41.4144 178.2065 96 F 4.0827 8.7278 118.1084 60.3403 38.6914 177.7898 97 K 4.1525 8.5512 118.0219 59.3257 31.8849 179.0057 98 G 3.8145 7.8321 104.2750 45.4707 0.0000 174.3751 99 L 3.8951 7.3792 121.6644 54.2524 41.8955 174.1485 100 P 4.1381 0.0000 0.0000 61.6940 30.4068 174.2626 101 P 4.4365 0.0000 0.0000 62.6161 31.3306 176.7706 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 17 N 8.41 4.71 0.00 2.70 2.91 0.00 0.00 6.80 6.82 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 18 T 7.31 4.46 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 19 P 0.00 4.51 0.00 2.19 2.08 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 20 V 8.01 4.34 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 0.76 0.00 0.00 0.92 0.00 0.00 21 V 8.13 4.13 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 0.72 0.00 0.00 0.93 0.00 0.00 22 I 8.11 4.48 1.82 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 1.39 0.58 0.88 0.00 0.00 23 H 8.58 4.83 0.00 3.09 3.15 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.75 4.14 1.28 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 0.00 0.00 0.00 25 T 8.35 4.55 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 1.25 0.00 0.00 26 Q 7.39 4.57 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 L 8.21 4.17 0.00 1.59 1.55 0.92 0.94 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 28 P 0.00 4.21 0.00 2.02 1.91 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 29 Q 8.23 4.49 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 30 H 8.91 4.15 0.00 3.19 3.25 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.08 4.22 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 0.68 0.00 0.00 0.98 0.00 0.00 32 S 8.80 4.40 0.00 4.11 4.14 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 0.00 0.00 0.00 33 T 8.41 4.09 4.41 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 1.28 0.00 0.00 34 D 8.10 4.46 0.00 2.79 2.67 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 35 E 8.28 4.05 0.00 2.18 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 2.34 2.33 0.00 36 V 7.82 3.64 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 0.78 0.00 0.00 0.50 0.00 0.00 37 L 7.78 3.89 0.00 2.03 1.87 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.84 4.04 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 39 F 8.32 4.23 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.54 0.00 1.64 1.63 0.81 0.73 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 41 E 7.71 3.83 0.00 2.15 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 2.30 2.36 0.00 42 S 7.81 4.05 0.00 4.04 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 43 F 8.21 4.09 0.00 2.45 2.40 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 44 I 8.09 3.34 1.84 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 0.86 0.82 0.00 0.00 45 D 8.06 4.36 0.00 2.75 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 46 E 7.79 3.85 0.00 2.14 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 2.28 2.31 0.00 47 K 7.66 3.95 0.00 1.29 1.51 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.62 0.57 7.81 48 E 8.53 4.12 0.00 1.84 1.86 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 2.25 2.25 0.00 49 N 6.89 4.45 0.00 2.93 2.74 0.00 0.00 7.16 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 50 I 7.90 3.87 1.85 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 1.39 0.62 0.89 0.00 0.00 51 I 8.39 3.24 1.85 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 1.46 0.33 0.90 0.00 0.00 52 D 7.64 4.38 0.00 2.88 2.96 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 *78 I 8.22 4.00 1.86 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 1.09 1.88 0.88 0.00 0.00 79 D 7.82 4.36 0.00 2.84 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 80 T 8.68 3.50 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 81 N 7.79 4.20 0.00 2.89 2.88 0.00 0.00 6.59 6.74 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 82 L 8.91 4.28 0.00 1.76 1.71 1.00 0.91 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 83 S 7.85 4.08 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.97 4.14 0.00 4.05 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 85 S 7.78 4.15 0.00 4.05 4.03 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 0.00 0.00 0.00 0.00 86 I 7.96 3.70 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.00 0.85 0.00 0.00 87 S 8.04 4.08 0.00 4.00 4.03 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 0.00 0.00 0.00 0.00 88 Q 8.22 4.01 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 89 L 7.96 4.14 0.00 1.97 1.76 1.21 1.01 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 90 K 8.00 4.09 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.68 7.81 91 R 7.79 3.99 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 92 I 7.69 3.82 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 1.05 0.00 0.00 93 Q 8.18 4.02 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 94 R 8.08 3.89 0.00 2.08 2.11 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 95 D 8.02 4.37 0.00 2.76 2.91 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 0.00 0.00 0.00 96 F 8.73 4.08 0.00 3.32 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.55 4.15 0.00 1.90 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.80 7.81 98 G 7.83 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.38 3.90 0.00 1.73 1.51 0.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.14 0.00 2.02 2.05 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 101 P 0.00 4.44 0.00 2.06 1.96 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.