NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.8737 8.3549 109.7364 45.1106 0.0000 173.9316 2 R 4.3350 8.1966 120.4831 52.6339 31.7552 173.5970 3 Q 4.4941 8.9227 121.2128 53.6356 32.8513 174.1120 4 F 4.3758 8.5574 118.2921 58.8270 39.2759 175.2870 5 G 4.1241 9.1018 113.2995 46.1288 0.0000 174.0200 6 H 5.0021 8.0473 114.6945 55.5013 29.7361 174.8596 7 L 4.0430 7.7116 120.0139 56.3505 41.9204 177.4650 8 T 4.3199 7.1255 111.0567 61.4871 70.3165 172.3498 9 R 4.3694 8.3579 123.7911 54.8398 30.6534 175.3929 10 V 4.4656 8.2108 124.2698 61.0425 34.3872 174.5961 11 R 4.4864 7.8920 124.4281 55.7770 33.5962 174.3550 12 H 4.1139 8.6831 116.2163 57.0098 26.1742 174.5947 13 V 4.3498 7.8743 117.9643 60.9879 33.3058 174.4036 14 I 4.3338 8.2096 127.4021 59.6077 39.1770 174.9392 15 T 4.5008 8.0391 120.7621 61.7315 71.0197 172.9296 16 Y 4.8334 8.5036 123.1097 56.3219 40.4988 175.3000 17 S 4.7755 8.4886 118.7461 56.8619 67.1841 173.1740 18 L 4.7745 8.1137 122.0410 52.5106 44.1460 176.7541 19 S 4.2832 8.4510 116.5468 57.7438 63.0070 173.5384 20 P 4.2270 0.0000 0.0000 65.4614 31.2638 178.0609 21 F 4.4164 7.8447 116.0245 58.9885 38.9391 175.6913 22 E 4.5373 7.9573 119.3124 56.1448 29.9707 175.4569 23 Q 4.6603 7.5192 116.1224 53.8296 31.8630 175.1273 24 R 4.1068 8.3267 117.5292 56.1109 30.7312 177.0618 25 A 4.0269 8.4394 123.8810 53.5239 19.5787 177.6540 26 F 4.8218 7.6391 115.0426 55.6627 39.7588 173.8304 27 P 4.3556 0.0000 0.0000 64.6214 31.5753 175.7151 28 H 4.2068 9.0225 120.4278 56.3738 26.8540 176.3691 29 Y 4.1039 7.9469 120.7816 60.9147 39.1387 178.3130 30 F 4.3989 8.0972 117.2564 59.7829 39.9056 178.1048 31 S 4.2118 8.4566 113.5209 60.8173 62.9585 175.1620 32 K 4.3665 8.3382 119.5248 57.0894 33.6244 178.8368 33 G 3.9085 7.9327 106.8372 47.2656 0.0000 175.3572 34 I 3.6776 7.5340 122.6945 63.5630 37.1438 176.6467 35 P 4.2251 0.0000 0.0000 65.6721 31.1436 178.1854 36 N 4.2624 8.0758 115.5556 56.6889 38.8232 177.1061 37 V 3.6628 7.9844 119.8278 66.0117 31.4900 178.0470 38 L 3.9960 8.2117 119.2010 57.4598 41.3657 179.4357 39 R 3.8498 8.2030 119.0243 59.5733 29.8630 178.7745 40 R 3.9130 8.3998 118.2515 59.5122 30.0205 179.2272 41 T 3.9346 8.2378 115.7790 66.8590 68.2885 176.9834 42 R 3.9567 8.0040 118.3672 59.1593 30.1127 178.7776 43 A 4.1587 8.1403 120.0945 54.1406 18.6080 178.3055 44 C 4.6277 7.7078 110.5246 59.1032 31.2871 175.9976 45 I 3.7737 7.7227 122.5668 64.7615 36.4406 177.9265 46 L 4.1407 7.8945 117.8743 57.0436 41.5833 178.7709 47 R 4.2608 8.2777 117.6844 58.1678 31.1328 178.4373 48 V 3.9763 7.6375 117.0496 65.4710 31.9034 177.8206 49 A 4.0762 8.1316 120.4593 54.7646 18.3094 177.4683 50 P 4.2249 0.0000 0.0000 65.6710 31.3521 176.8720 51 P 4.2185 0.0000 0.0000 65.6663 31.1733 178.6905 52 F 4.3240 7.6959 115.4183 60.1130 38.7169 178.0013 53 V 3.8181 8.1239 118.2929 65.6622 31.2590 177.9463 54 A 4.0251 8.1456 120.7451 55.0534 18.2679 179.3210 55 F 4.1634 8.5178 119.3294 61.7402 39.5076 176.6185 56 Y 3.9195 8.5658 119.3894 60.5550 38.4292 178.3006 57 L 3.7620 8.2295 120.1754 57.7579 41.8083 179.4980 58 V 3.6402 8.0549 118.6079 66.0394 31.3141 177.3579 59 Y 3.8131 8.0453 119.8019 60.8717 38.6465 178.2735 60 T 3.5232 7.5196 110.6910 64.2421 68.8478 176.2499 61 W 4.0257 8.4663 131.7675 60.1175 30.8071 178.1335 62 G 3.3872 8.7383 105.9467 47.9553 0.0000 175.7002 63 T 3.6664 7.6462 118.3257 66.4599 68.3977 176.8320 64 Q 3.8482 7.7327 119.8356 58.8585 28.7885 178.5032 65 E 3.4952 7.9630 120.6582 58.8595 29.1848 178.7603 66 F 4.1132 7.7174 120.0288 61.1420 39.8271 176.7300 67 E 3.7845 8.0914 118.1266 59.2690 29.4038 179.3340 68 K 3.7973 7.9471 118.7518 59.5481 31.9729 179.4023 69 S 4.1638 7.5672 112.0192 60.3932 62.8729 175.5709 70 K 4.1544 7.4752 120.7109 56.8027 32.5657 175.9565 71 R 4.3398 7.7085 115.4931 54.9928 31.7805 177.0236 72 K 4.7689 6.9539 116.1798 56.7807 28.7981 175.3841 73 N 5.0466 8.0676 122.5998 50.2358 36.9858 173.1098 74 P 4.2489 0.0000 0.0000 63.5507 32.4997 176.3479 75 A 4.1123 8.0622 121.3235 51.7795 21.5898 175.9991 *76 A 4.1172 8.6388 121.7751 52.5006 18.9464 176.9610 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 G 8.35 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 2 R 8.20 4.33 0.00 1.78 1.76 0.00 3.11 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 3 Q 8.92 4.49 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 4 F 8.56 4.38 0.00 3.08 2.98 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 0.00 0.00 0.00 5 G 9.10 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 0.00 0.00 0.00 6 H 8.05 5.00 0.00 3.22 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.71 4.04 0.00 1.61 1.59 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.13 4.32 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 1.21 0.00 0.00 9 R 8.36 4.37 0.00 1.80 1.81 0.00 3.23 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 10 V 8.21 4.47 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 0.88 0.00 0.00 0.93 0.00 0.00 11 R 7.89 4.49 0.00 1.57 1.22 0.00 3.37 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 12 H 8.68 4.11 0.00 3.32 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 4.35 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 0.81 0.00 0.00 0.99 0.00 0.00 14 I 8.21 4.33 1.68 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 1.32 0.71 0.26 0.00 0.00 15 T 8.04 4.50 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 1.19 0.00 0.00 16 Y 8.50 4.83 0.00 2.89 2.82 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 17 S 8.49 4.78 0.00 3.80 3.70 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 18 L 8.11 4.77 0.00 1.60 1.56 0.92 0.87 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 19 S 8.45 4.28 0.00 3.91 3.80 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 20 P 0.00 4.23 0.00 1.84 2.09 0.00 3.73 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 1.59 1.76 0.00 21 F 7.84 4.42 0.00 3.14 3.09 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 22 E 7.96 4.54 0.00 2.10 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 0.00 2.35 2.41 0.00 23 Q 7.52 4.66 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 24 R 8.33 4.11 0.00 1.81 1.92 0.00 3.23 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 25 A 8.44 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.64 4.82 0.00 2.95 2.82 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 27 P 0.00 4.36 0.00 2.04 2.01 0.00 3.94 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 28 H 9.02 4.21 0.00 3.37 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.95 4.10 0.00 3.12 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 30 F 8.10 4.40 0.00 3.22 3.04 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 0.00 0.00 0.00 31 S 8.46 4.21 0.00 3.99 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 32 K 8.34 4.37 0.00 2.01 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.34 7.81 33 G 7.93 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 0.00 0.00 0.00 34 I 7.53 3.68 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.05 0.92 0.00 0.00 35 P 0.00 4.23 0.00 2.14 2.10 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.15 0.00 36 N 8.08 4.26 0.00 2.97 2.87 0.00 0.00 6.86 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.98 3.66 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 1.05 0.00 0.00 0.94 0.00 0.00 38 L 8.21 4.00 0.00 1.88 1.69 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.20 3.85 0.00 1.85 2.08 0.00 3.10 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 1.67 0.00 40 R 8.40 3.91 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 41 T 8.24 3.93 4.36 0.00 0.00 0.00 0.00 0.00 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 42 R 8.00 3.96 0.00 1.91 2.00 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 43 A 8.14 4.16 1.37 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 0.00 0.00 0.00 44 C 7.71 4.63 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.72 3.77 1.98 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 1.54 0.88 0.93 0.00 0.00 46 L 7.89 4.14 0.00 1.63 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.28 4.26 0.00 1.88 2.00 0.00 3.35 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 48 V 7.64 3.98 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 1.19 0.00 0.00 0.98 0.00 0.00 49 A 8.13 4.08 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 50 P 0.00 4.22 0.00 2.19 2.17 0.00 3.68 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 51 P 0.00 4.22 0.00 1.75 1.89 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 52 F 7.70 4.32 0.00 3.34 3.22 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 0.00 53 V 8.12 3.82 2.33 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 1.22 0.00 0.00 1.07 0.00 0.00 54 A 8.15 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 4.16 0.00 3.17 3.39 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 56 Y 8.57 3.92 0.00 3.28 3.30 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 0.00 57 L 8.23 3.76 0.00 1.89 1.69 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.05 3.64 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 1.08 0.00 0.00 0.97 0.00 0.00 59 Y 8.05 3.81 0.00 2.25 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 3.52 4.08 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 0.00 0.00 0.00 0.78 0.00 0.00 61 W 8.47 4.03 0.00 3.38 3.39 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 62 G 8.74 3.39 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 0.00 63 T 7.65 3.67 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 1.03 0.00 0.00 64 Q 7.73 3.85 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 65 E 7.96 3.50 0.00 1.16 1.13 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 0.00 1.55 2.01 0.00 66 F 7.72 4.11 0.00 2.92 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 67 E 8.09 3.78 0.00 1.90 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 2.53 2.38 0.00 68 K 7.95 3.80 0.00 1.79 1.76 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.52 7.81 69 S 7.57 4.16 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.48 4.15 0.00 1.58 1.67 0.00 0.92 0.00 0.00 1.04 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 0.88 7.81 71 R 7.71 4.34 0.00 1.88 1.87 0.00 3.00 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 72 K 6.95 4.77 0.00 1.76 1.89 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.50 7.81 73 N 8.07 5.05 0.00 2.75 2.76 0.00 0.00 6.30 7.75 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 74 P 0.00 4.25 0.00 2.18 2.09 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 75 A 8.06 4.11 1.20 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 0.00 0.00 *76 A 8.64 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.