NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1090 8.0549 114.0594 61.0297 32.8297 175.0195 3 L 4.1636 8.4057 125.1268 54.0763 42.4834 174.7613 4 L 4.8813 8.1705 121.2317 52.5038 45.0799 175.9416 5 E 3.9729 8.7824 122.4544 56.6262 30.5499 177.5322 6 S 4.1349 9.0533 123.1560 62.1787 63.0164 176.8863 7 E 4.0369 8.3314 120.2047 59.5617 29.2653 178.7297 8 Q 3.9819 8.2440 118.8322 59.5262 28.8883 178.2941 9 F 4.1822 8.5840 121.5451 61.8844 39.4519 177.2232 10 L 3.9025 8.1656 117.7326 57.9527 41.3514 179.9426 11 T 3.9003 7.6850 115.3480 66.5192 68.5103 176.7284 12 E 3.9352 8.2510 120.6269 59.2019 29.4754 179.1104 13 L 3.8312 7.7881 120.4581 58.6462 42.2708 178.9296 14 T 3.8291 7.6816 115.3629 66.9783 68.3076 176.7024 15 R 3.9476 8.0015 119.6383 59.0629 30.1028 178.7951 16 L 3.9618 8.2593 119.2280 58.0766 41.4763 179.4693 17 F 3.9151 8.1497 115.8772 60.9326 39.2599 177.5106 18 Q 4.1900 8.0731 117.0771 59.0247 28.2701 179.1165 19 K 4.1921 8.1737 118.6029 58.8645 31.4808 178.2155 20 C 4.4400 7.8377 115.3111 60.0087 28.0170 175.3308 21 R 3.7919 7.5497 119.9412 59.4360 29.7516 177.4719 22 T 3.9068 7.2839 115.3663 65.2361 68.6384 174.4415 23 S 4.7852 6.7540 111.3244 58.8406 65.0904 176.1516 24 G 3.9859 8.0407 114.8650 46.6588 0.0000 170.6850 25 S 4.3922 7.6814 113.4566 57.1306 66.8875 172.8330 26 V 4.5118 7.6610 122.9686 61.2410 33.3059 174.2273 27 Y 4.8053 9.0901 125.2366 56.2256 40.9833 174.6871 28 I 5.2994 8.5938 123.8251 59.7704 40.6055 174.8047 29 T 4.8157 9.6468 117.5627 59.6881 72.0584 172.5995 30 L 5.2195 8.4845 125.0084 53.3056 44.8278 175.2403 31 K 4.6897 8.8130 126.0097 54.5624 36.3637 175.0353 32 K 4.3442 8.6635 125.3116 56.9994 32.4458 175.8135 33 Y 4.4929 8.1788 127.0994 56.9508 39.6809 174.3727 34 D 3.9079 7.7185 121.0606 53.5824 44.0333 174.8157 *54 N 4.5186 8.7652 122.7195 53.2669 39.5692 173.6624 55 K 4.9050 8.1693 120.8128 55.7115 37.5847 174.2792 56 C 4.9678 8.2395 114.5074 57.3432 33.1441 173.3242 57 L 4.5129 9.1537 126.0895 54.5005 43.4279 175.0718 58 L 5.1369 8.8522 127.0401 53.4035 45.1149 175.3135 59 R 5.4064 9.2954 124.3733 54.7139 34.6798 174.1841 60 A 5.7797 9.4027 122.2543 51.5052 23.2136 175.1534 61 T 5.0774 8.5681 113.9990 61.2872 71.0663 173.5648 62 D 5.4249 8.7365 122.2914 52.1210 40.3282 175.6728 63 G 3.6627 7.5034 113.0075 45.9856 0.0000 174.8027 64 K 4.2737 7.5738 118.4336 57.2864 33.3804 176.6735 65 K 4.1231 8.3165 119.8836 56.4180 32.8558 176.0513 66 K 5.2236 8.5315 124.3344 54.6579 35.4130 175.4828 67 I 4.9072 9.0721 119.1462 59.3029 40.9632 174.6941 68 S 5.1832 8.4702 116.9532 57.9733 66.8718 172.1876 69 T 4.4213 8.2963 113.8514 61.2554 71.1824 171.8733 70 V 4.3965 7.8750 124.9403 60.8023 33.6591 174.6173 71 V 4.1422 8.1124 127.8525 61.0363 34.1022 174.8598 72 S 5.0134 8.1691 122.2521 56.4140 65.8964 174.8281 73 S 4.1838 8.6492 114.0527 61.4866 62.7816 175.9192 74 K 4.0804 8.0927 121.0085 58.5201 32.2558 177.7025 75 E 4.6247 7.5323 115.2087 55.5807 30.5561 177.7595 76 V 3.6959 7.8424 119.9911 66.6244 30.9732 176.8819 77 N 4.4113 8.2163 116.1077 56.4822 38.7566 176.4742 78 K 3.9568 8.0989 119.0458 59.6124 32.1679 179.0685 79 F 4.0871 8.2413 120.2002 61.2602 39.1129 176.7116 80 Q 4.3130 8.7823 119.6197 59.6877 28.7595 178.2098 81 M 4.2588 7.6973 117.9587 58.4183 31.9848 178.6721 82 A 3.8691 7.6117 120.6319 55.3838 18.5850 178.9501 83 Y 3.7441 8.3633 119.1516 60.7296 38.7085 178.2526 84 S 3.8624 9.0250 114.8759 61.4460 62.4858 175.9591 85 N 4.1860 8.2528 119.3787 56.0025 38.2196 176.9741 86 L 3.6233 7.7593 121.8196 58.0964 41.6057 179.0458 87 L 3.5283 7.2928 118.5394 57.6528 41.3071 179.6227 88 R 3.8135 7.3903 116.1659 59.3933 30.1562 178.3212 89 A 4.0347 7.5547 119.8021 54.8096 18.4857 178.1189 90 N 4.5162 7.5438 110.7477 54.4139 39.2593 175.9019 91 M 4.6053 7.2775 119.1167 53.7527 30.8058 174.9096 92 D 4.5817 7.9194 121.1566 54.7100 41.2293 179.8498 93 G 3.8092 8.2449 107.9468 48.1916 0.0000 173.1655 94 L 4.1060 7.1665 118.5746 54.5533 42.2367 177.4379 95 K 4.1644 8.3813 117.6711 56.9701 32.0511 177.4107 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 2 V 8.05 4.11 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 0.91 0.00 0.00 0.95 0.00 0.00 3 L 8.41 4.16 0.00 1.53 1.50 0.86 0.45 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 4 L 8.17 4.88 0.00 1.87 1.67 1.03 0.78 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 5 E 8.78 3.97 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 6 S 9.05 4.13 0.00 3.95 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 7 E 8.33 4.04 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 8 Q 8.24 3.98 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 9 F 8.58 4.18 0.00 3.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.17 3.90 0.00 1.99 1.74 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.69 3.90 4.38 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 1.21 0.00 0.00 12 E 8.25 3.94 0.00 1.96 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 2.57 2.50 0.00 13 L 7.79 3.83 0.00 1.13 1.54 1.23 1.29 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 14 T 7.68 3.83 4.38 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 1.16 0.00 0.00 15 R 8.00 3.95 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 16 L 8.26 3.96 0.00 1.90 1.65 0.93 1.04 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 17 F 8.15 3.92 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.19 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 19 K 8.17 4.19 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.77 7.81 20 C 7.84 4.44 0.00 2.85 2.83 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 0.00 0.00 0.00 21 R 7.55 3.79 0.00 1.88 1.92 0.00 3.31 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 22 T 7.28 3.91 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 23 S 6.75 4.79 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.04 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.68 4.39 0.00 3.64 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 26 V 7.66 4.51 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 0.27 0.00 0.00 0.25 0.00 0.00 27 Y 9.09 4.81 0.00 2.84 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 28 I 8.59 5.30 2.07 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.71 1.20 0.00 0.00 29 T 9.65 4.82 4.29 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 1.28 0.00 0.00 30 L 8.48 5.22 0.00 1.62 1.57 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.81 4.69 0.00 1.86 1.58 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.43 7.81 32 K 8.66 4.34 0.00 1.69 1.76 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 33 Y 8.18 4.49 0.00 2.90 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 34 D 7.72 3.91 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.77 4.52 0.00 2.78 2.79 0.00 0.00 6.79 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 55 K 8.17 4.91 0.00 1.77 1.59 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.47 7.81 56 C 8.24 4.97 0.00 2.86 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 57 L 9.15 4.51 0.00 1.82 1.67 0.75 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.85 5.14 0.00 1.35 0.86 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.30 5.41 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 60 A 9.40 5.78 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 61 T 8.57 5.08 4.30 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 1.27 0.00 0.00 62 D 8.74 5.42 0.00 2.82 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 63 G 7.50 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.57 4.27 0.00 1.76 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 65 K 8.32 4.12 0.00 1.83 1.82 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.43 7.81 66 K 8.53 5.22 0.00 1.65 1.70 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.56 7.81 67 I 9.07 4.91 2.08 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.96 0.00 0.00 68 S 8.47 5.18 0.00 3.80 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 69 T 8.30 4.42 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 -0.09 0.00 0.00 70 V 7.87 4.40 1.68 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 0.40 0.00 0.00 0.05 0.00 0.00 71 V 8.11 4.14 1.65 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 0.69 0.00 0.00 -0.49 0.00 0.00 72 S 8.17 5.01 0.00 3.87 3.91 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 73 S 8.65 4.18 0.00 4.04 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 74 K 8.09 4.08 0.00 1.72 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 75 E 7.53 4.62 0.00 2.04 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 2.20 2.22 0.00 76 V 7.84 3.70 2.13 0.00 0.00 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 1.08 0.00 0.00 77 N 8.22 4.41 0.00 2.83 2.78 0.00 0.00 7.18 6.65 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 78 K 8.10 3.96 0.00 1.92 1.93 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.55 7.81 79 F 8.24 4.09 0.00 3.27 3.29 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 80 Q 8.78 4.31 0.00 2.26 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 81 M 7.70 4.26 0.00 2.12 2.10 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 2.64 2.57 0.00 82 A 7.61 3.87 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 83 Y 8.36 3.74 0.00 1.88 2.81 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 84 S 9.02 3.86 0.00 3.98 4.01 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 85 N 8.25 4.19 0.00 2.83 2.74 0.00 0.00 6.69 7.10 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 86 L 7.76 3.62 0.00 1.57 1.45 0.86 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.29 3.53 0.00 1.36 1.48 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.39 3.81 0.00 1.80 1.90 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 89 A 7.55 4.03 1.23 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 0.00 0.00 90 N 7.54 4.52 0.00 2.05 2.43 0.00 0.00 6.91 8.74 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 91 M 7.28 4.61 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.73 0.00 92 D 7.92 4.58 0.00 2.80 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 93 G 8.24 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 94 L 7.17 4.11 0.00 1.62 1.66 0.92 0.81 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 95 K 8.38 4.16 0.00 1.74 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.