NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5652 8.1576 120.0783 56.5667 34.5826 173.7069 3 L 4.9591 8.4253 120.1338 54.1075 44.1860 173.3162 4 L 5.1050 9.0896 120.5538 52.9740 45.3879 176.7816 5 V 4.8907 8.8181 122.8113 61.1533 34.2359 174.2234 6 V 4.9839 8.8342 128.0594 61.2288 34.0058 173.8363 7 Y 5.3817 8.3857 125.2151 55.5307 41.6096 175.1558 8 D 4.6677 9.3966 119.7932 52.4187 43.0111 172.6112 9 V 4.5174 8.2246 122.7299 60.9192 32.8124 175.0552 10 S 4.1433 9.3463 125.1997 61.6669 63.0281 175.2341 11 D 4.3334 8.1321 122.7470 54.7038 41.1103 176.0245 12 D 4.4255 8.8176 128.2169 57.9547 41.0672 179.3324 13 S 4.1870 8.4324 113.2797 61.1588 62.4272 176.3287 14 K 3.9805 7.9641 120.8949 59.2191 31.8625 178.9515 15 R 3.8872 8.2743 119.5307 59.3728 29.9477 177.9044 16 N 4.5747 7.9028 114.7325 54.3284 37.6819 176.9700 17 K 3.7573 7.7973 122.4401 59.5315 32.1859 178.2291 18 L 3.6562 7.8366 119.9400 58.0021 41.9848 178.5203 19 A 3.7245 7.7963 120.6380 55.3736 18.4077 179.3668 20 N 4.2831 8.3846 115.0459 56.6214 38.6136 177.5148 21 N 4.2958 8.2620 118.0151 56.0836 38.5971 177.3746 22 L 3.7210 7.9559 120.8264 57.6710 41.5782 179.7719 23 K 4.3776 7.7281 119.5157 59.0281 31.8166 179.4411 24 K 4.0569 7.6562 117.1865 59.3960 32.0105 178.5310 25 L 4.3500 7.5765 116.0022 54.6793 41.4706 177.8963 26 G 3.9248 8.3032 107.3579 45.5407 0.0000 174.1267 27 L 4.5380 7.8059 119.8844 54.4299 43.4181 175.5880 28 E 4.8683 9.3042 120.2808 54.3163 32.6531 175.7349 29 R 3.0642 8.4534 124.9019 56.0395 30.0570 175.9965 30 I 4.3037 7.9400 118.8141 61.3763 39.4974 174.8382 31 Q 4.4550 7.3161 118.2882 54.4542 32.6972 174.6032 32 R 3.9390 8.6039 118.6405 59.6712 30.1298 176.3881 33 S 4.2170 7.5440 112.8803 56.8843 63.8601 173.7428 34 A 5.1881 7.9022 119.8547 50.9203 23.0429 176.5918 35 F 5.2406 9.6946 119.6949 55.6880 43.9766 173.6819 36 E 4.9896 8.9172 118.0776 55.1245 33.5320 174.4701 37 G 4.1364 8.1551 106.3407 45.7811 0.0000 172.9717 38 D 4.8313 8.5257 121.8606 54.1521 39.3030 177.0112 *40 D 4.3912 8.1551 125.0692 55.3566 42.8219 175.4548 *43 R 4.0765 7.8133 113.2040 56.2389 31.8565 177.7371 *45 K 4.2034 7.9487 121.5766 57.2417 34.0761 177.5532 46 D 4.3240 7.9745 118.2592 56.9399 40.7334 177.9889 47 L 3.8580 8.1973 121.3612 58.3473 41.9845 179.3179 48 V 3.5455 7.6721 117.3764 65.8867 31.5452 177.6944 49 R 3.8142 7.8934 118.4202 59.3455 29.8650 178.4447 50 V 3.5012 8.0147 118.3770 66.0472 31.5122 178.0588 51 V 3.4538 7.7425 117.6305 66.0979 31.1863 178.0337 52 K 3.9372 7.9983 116.9109 59.5906 31.9220 179.0246 53 L 4.1318 7.8087 118.3089 57.1362 41.5768 179.0050 54 I 4.0066 7.2501 118.6265 62.7105 37.8011 177.0179 55 V 3.8732 6.8822 111.1645 60.2886 32.5944 175.7406 56 D 4.5284 8.6482 121.9560 53.8759 40.3064 177.3687 57 T 4.1603 8.4136 124.0568 65.6056 68.6238 175.2578 58 N 4.6992 8.7248 118.3163 54.2478 39.2753 175.8737 59 T 4.3967 7.8957 112.2783 64.4436 71.1735 173.8142 60 D 5.0914 8.4452 119.4697 53.2373 43.0503 176.3794 61 I 4.7485 8.4802 119.8025 59.7944 41.4555 174.8691 62 V 4.9401 8.4347 125.2489 61.5572 34.7221 173.8337 63 H 4.8853 9.5130 125.0681 54.0678 31.3154 173.3267 64 I 4.9189 8.4654 123.7550 59.6924 39.3248 175.0493 65 I 4.6435 8.8093 129.1039 58.5850 40.0197 173.4969 66 P 5.0606 0.0000 0.0000 62.6122 32.1407 175.5119 67 L 4.8359 8.5942 121.8702 54.0427 44.0594 176.1826 68 G 3.8659 8.8275 108.5404 44.9863 0.0000 174.7059 69 I 3.7727 8.5612 120.7275 64.3945 37.8830 178.6111 70 R 3.9798 8.0026 118.1760 59.1794 29.7241 178.5958 71 D 4.3807 8.0799 117.6808 57.0176 41.2091 178.0964 72 W 4.4992 8.3646 128.8631 60.6936 30.5582 177.7084 73 E 3.7814 8.3431 117.4781 59.2155 28.9296 178.6761 74 R 4.3532 7.4833 115.3918 54.9756 30.4819 176.8382 75 R 3.9611 6.8683 116.0691 56.3680 29.8090 175.7946 76 I 4.2771 7.9578 119.2419 59.4147 39.0197 175.3276 77 V 4.2564 8.2095 124.7583 60.9457 33.1749 174.4466 78 I 4.2636 8.4111 127.8576 60.8361 38.9479 176.1813 79 G 3.7512 8.7073 111.0480 43.9413 0.0000 173.2744 80 R 4.0212 8.4810 118.1522 56.9595 29.8998 176.7433 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 K 8.16 4.57 0.00 1.61 1.51 0.00 1.42 0.00 0.00 1.14 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 3 L 8.43 4.96 0.00 1.79 1.66 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.09 5.11 0.00 1.58 1.59 1.01 0.71 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 5 V 8.82 4.89 2.24 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 1.15 0.00 0.00 0.95 0.00 0.00 6 V 8.83 4.98 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 0.98 0.00 0.00 0.96 0.00 0.00 7 Y 8.39 5.38 0.00 2.99 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 8 D 9.40 4.67 0.00 2.71 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 9 V 8.22 4.52 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 1.03 0.00 0.00 0.99 0.00 0.00 10 S 9.35 4.14 0.00 3.92 3.93 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 0.00 0.00 0.00 11 D 8.13 4.33 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.82 4.43 0.00 2.77 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 13 S 8.43 4.19 0.00 3.91 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 14 K 7.96 3.98 0.00 1.98 1.81 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.66 7.81 15 R 8.27 3.89 0.00 1.97 2.17 0.00 3.28 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 16 N 7.90 4.57 0.00 3.05 3.10 0.00 0.00 6.64 7.08 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 17 K 7.80 3.76 0.00 1.97 1.94 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.42 7.81 18 L 7.84 3.66 0.00 1.53 1.37 0.66 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.80 3.72 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.38 4.28 0.00 2.90 2.85 0.00 0.00 7.08 6.96 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 21 N 8.26 4.30 0.00 2.75 2.74 0.00 0.00 7.05 7.14 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 22 L 7.96 3.72 0.00 0.55 0.93 0.38 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.73 4.38 0.00 2.02 1.93 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.74 1.80 7.81 24 K 7.66 4.06 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 25 L 7.58 4.35 0.00 1.58 1.65 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.30 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 27 L 7.81 4.54 0.00 1.88 1.94 0.95 0.89 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 28 E 9.30 4.87 0.00 1.85 1.81 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 2.25 2.26 0.00 29 R 8.45 3.06 0.00 1.03 1.52 0.00 3.05 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.00 30 I 7.94 4.30 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 1.06 0.00 0.00 31 Q 7.32 4.46 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 32 R 8.60 3.94 0.00 1.75 1.94 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 33 S 7.54 4.22 0.00 3.45 3.12 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 34 A 7.90 5.19 1.15 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 0.00 0.00 35 F 9.69 5.24 0.00 2.95 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 36 E 8.92 4.99 0.00 1.25 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 1.68 2.12 0.00 37 G 8.16 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 0.00 0.00 0.00 38 D 8.53 4.83 0.00 2.65 2.24 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 0.00 *40 D 8.16 4.39 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.08 0.00 2.04 2.17 0.00 3.02 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 *45 K 7.95 4.20 0.00 1.87 1.87 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 46 D 7.97 4.32 0.00 2.88 2.66 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 47 L 8.20 3.86 0.00 1.68 1.64 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.67 3.55 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 1.04 0.00 0.00 0.91 0.00 0.00 49 R 7.89 3.81 0.00 2.12 1.88 0.00 3.14 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 1.60 1.62 0.00 50 V 8.01 3.50 2.21 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 0.83 0.00 0.00 0.89 0.00 0.00 51 V 7.74 3.45 2.15 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 0.93 0.00 0.00 0.89 0.00 0.00 52 K 8.00 3.94 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 53 L 7.81 4.13 0.00 1.59 1.69 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.25 4.01 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 0.82 0.00 0.00 55 V 6.88 3.87 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 0.60 0.00 0.00 0.97 0.00 0.00 56 D 8.65 4.53 0.00 2.70 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 57 T 8.41 4.16 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 58 N 8.72 4.70 0.00 2.75 2.86 0.00 0.00 6.73 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 59 T 7.90 4.40 4.37 0.00 0.00 0.00 0.00 0.00 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 60 D 8.45 5.09 0.00 2.63 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 61 I 8.48 4.75 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.97 0.00 0.00 62 V 8.43 4.94 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 0.88 0.00 0.00 0.98 0.00 0.00 63 H 9.51 4.89 0.00 3.18 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.47 4.92 1.87 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 1.35 0.61 0.91 0.00 0.00 65 I 8.81 4.64 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.94 0.00 0.00 66 P 0.00 5.06 0.00 2.08 2.04 0.00 3.74 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 1.99 1.97 0.00 67 L 8.59 4.84 0.00 1.69 1.67 1.12 0.54 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 68 G 8.83 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 69 I 8.56 3.77 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.95 0.00 0.00 70 R 8.00 3.98 0.00 1.89 1.98 0.00 3.58 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 71 D 8.08 4.38 0.00 2.89 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 72 W 8.36 4.50 0.00 3.43 3.33 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 73 E 8.34 3.78 0.00 2.17 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 2.37 2.64 0.00 74 R 7.48 4.35 0.00 1.77 1.90 0.00 3.17 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 1.59 1.84 0.00 75 R 6.87 3.96 0.00 1.65 1.62 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.21 0.00 76 I 7.96 4.28 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.86 0.00 0.00 77 V 8.21 4.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.76 0.00 0.00 78 I 8.41 4.26 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 1.32 0.70 0.89 0.00 0.00 79 G 8.71 3.75 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 0.00 0.00 0.00 80 R 8.48 4.02 0.00 1.76 1.84 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.