NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2996 8.1744 110.9443 60.6948 70.0182 173.3186 2 V 4.2904 9.8790 122.1479 61.8687 35.0069 171.0251 3 L 3.4114 9.8321 124.4200 54.8341 42.1683 177.2928 4 H 4.4917 9.6502 121.2673 55.0656 28.9362 175.4703 5 V 3.9156 8.5707 115.7455 63.7797 30.7666 180.1382 6 Q 2.5200 9.3128 110.5837 54.5980 30.1036 179.2991 7 E 3.0126 7.7104 116.3512 56.2295 33.4187 178.1001 8 I 3.6516 6.4806 119.5155 64.6862 38.2327 178.3889 9 R 4.0783 10.6400 119.1883 58.9498 29.9320 176.8992 10 D 4.5553 9.0087 116.5350 55.6432 41.5723 176.6222 11 M 4.2811 8.6522 122.1053 59.8845 30.9642 175.2587 12 T 3.4709 6.5075 110.4518 56.8830 73.2414 171.5495 13 P 4.0629 0.0000 0.0000 65.7349 31.3947 179.4605 14 A 3.5559 6.8401 119.2514 53.2671 19.6426 178.7861 15 E 3.8653 8.1626 113.5943 58.3835 29.2067 181.8436 16 R 3.5322 8.6080 120.8781 56.6319 31.1311 178.6109 17 E 4.1737 9.6992 116.1418 56.9507 28.8271 181.5488 18 A 3.5267 6.4130 129.2769 54.7632 20.0252 178.6095 19 E 3.6954 8.1758 116.3047 59.7186 29.3787 178.8877 20 L 3.9426 10.0540 118.8630 57.0415 42.7812 179.6618 21 D 3.5862 8.4124 109.0338 55.2098 42.3078 179.7013 22 D 4.2802 6.2775 124.8351 56.3711 42.1768 181.1486 23 L 3.4644 8.7953 114.4833 56.0335 43.5482 177.7730 24 K 3.5304 6.8967 120.7015 60.9099 32.8303 179.8293 25 T 3.1393 7.4992 109.6237 62.4612 70.0656 175.5304 26 E 3.4326 8.9111 113.5998 60.8301 29.9969 180.9799 27 L 3.2117 7.2505 112.5138 53.8825 42.7049 178.8548 28 L 3.8029 8.2196 120.7576 58.3825 42.8425 178.9491 29 N 4.1270 9.1585 117.4590 56.7727 38.5855 177.0020 30 A 3.9651 8.5891 122.0272 53.3482 18.2954 180.0248 31 R 4.0447 8.3664 114.3548 57.6583 29.9403 178.8471 *33 V 3.9027 8.8450 127.4262 63.5910 34.3499 176.3703 34 Q 3.2622 8.6309 111.3790 58.3426 29.8062 181.0868 35 A 3.1446 7.8856 116.7283 54.3753 19.9171 182.1277 36 A 3.7556 8.5610 121.1496 54.0928 20.8751 180.3060 37 G 4.3125 7.5918 103.5638 48.6163 0.0000 175.2066 38 G 3.8898 9.9904 106.2385 44.5304 0.0000 173.6609 39 A 3.8479 7.6539 122.4517 52.4901 17.9074 178.3762 40 P 4.5080 0.0000 0.0000 61.2879 33.5592 176.5234 41 E 4.5968 8.0217 118.9852 57.0965 29.6654 178.1638 42 N 4.6534 8.9103 130.1545 53.0037 39.1237 173.3348 43 P 4.6611 0.0000 0.0000 60.5168 30.4293 176.1197 44 G 3.9482 8.8242 115.7713 49.9554 0.0000 172.6148 45 R 3.2573 7.9700 116.9201 58.0480 31.4855 180.5429 46 I 2.8476 8.0843 114.5138 60.7505 40.3553 178.1269 47 K 3.8802 9.5433 114.3773 59.1122 34.3743 179.7400 48 E 3.2785 9.9623 123.5077 55.7946 33.1079 180.6938 49 L 2.9321 7.1943 111.6026 53.2058 43.4028 178.9157 50 R 3.1133 7.3643 116.2868 56.7523 31.8224 178.5302 51 K 3.2876 8.8840 112.4284 59.4752 32.4058 180.8325 52 A 3.0638 8.9869 117.8596 51.8585 21.3429 180.5885 53 I 3.0425 6.9373 116.3591 60.9946 39.0527 178.5990 54 A 4.1560 10.6000 115.3628 51.9123 21.8523 182.3514 55 R 3.2646 9.6139 112.1229 57.4270 33.3072 181.6397 56 I 2.5263 7.4391 116.4255 60.9958 39.0414 176.8775 57 K 3.8513 5.6600 126.7861 60.7150 32.9130 178.9776 58 T 3.8862 7.6479 108.4618 62.5057 71.9908 177.7851 59 I 2.5597 8.8655 123.1335 60.4380 41.7766 178.2259 60 Q 2.8346 6.7365 112.8240 55.4894 31.6658 178.2328 61 G 3.5291 7.1236 100.2470 47.0672 0.0000 175.5725 62 E 3.5572 8.4519 116.4604 57.9280 29.9001 180.6419 63 E 3.7043 8.6776 121.8737 58.0897 31.1141 177.9487 64 G 4.1262 11.3000 107.3818 45.1399 0.0000 173.0667 65 D 4.7808 7.4978 123.6652 54.2838 42.7273 173.2868 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 T 8.17 4.30 4.27 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 1.25 0.00 0.00 2 V 9.88 4.29 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 0.73 0.00 0.00 0.95 0.00 0.00 3 L 9.83 3.41 0.00 1.82 0.87 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.65 4.49 0.00 3.36 3.60 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.57 3.92 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 0.79 0.00 0.00 0.91 0.00 0.00 6 Q 9.31 2.52 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.16 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 7 E 7.71 3.01 0.00 2.01 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 2.37 2.34 0.00 8 I 6.48 3.65 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.91 0.00 0.00 9 R 10.64 4.08 0.00 1.68 2.09 0.00 3.26 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 10 D 9.01 4.56 0.00 2.67 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 11 M 8.65 4.28 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.85 0.00 12 T 6.51 3.47 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 13 P 0.00 4.06 0.00 2.23 2.26 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 14 A 6.84 3.56 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 15 E 8.16 3.87 0.00 2.44 1.89 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 2.41 2.42 0.00 16 R 8.61 3.53 0.00 1.93 2.03 0.00 3.25 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.13 0.00 17 E 9.70 4.17 0.00 2.27 1.31 0.00 0.00 0.00 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 2.46 0.00 18 A 6.41 3.53 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 19 E 8.18 3.70 0.00 2.01 2.16 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 2.32 2.50 0.00 20 L 10.05 3.94 0.00 1.68 1.64 0.92 1.26 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 21 D 8.41 3.59 0.00 3.11 2.38 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 0.00 22 D 6.28 4.28 0.00 2.71 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 23 L 8.80 3.46 0.00 1.73 1.44 1.08 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 24 K 6.90 3.53 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 25 T 7.50 3.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 E 8.91 3.43 0.00 2.11 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 2.28 2.43 0.00 27 L 7.25 3.21 0.00 1.89 1.55 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.22 3.80 0.00 1.70 1.84 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.16 4.13 0.00 2.80 2.89 0.00 0.00 6.99 6.97 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 30 A 8.59 3.97 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 0.00 0.00 0.00 0.00 0.00 31 R 8.37 4.04 0.00 2.08 1.49 0.00 3.16 0.00 0.00 3.09 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 *33 V 8.84 3.90 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 1.26 0.00 0.00 0.93 0.00 0.00 34 Q 8.63 3.26 0.00 2.27 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.18 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 35 A 7.89 3.14 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.56 3.76 1.33 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 37 G 7.59 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.99 3.89 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 0.00 0.00 0.00 39 A 7.65 3.85 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.51 0.00 2.05 2.09 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 41 E 8.02 4.60 0.00 1.90 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 0.00 0.00 0.00 2.19 2.24 0.00 42 N 8.91 4.65 0.00 2.67 2.73 0.00 0.00 6.76 7.69 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 43 P 0.00 4.66 0.00 2.39 2.18 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 44 G 8.82 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.26 0.00 1.90 1.80 0.00 3.25 0.00 0.00 3.34 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 46 I 8.08 2.85 2.05 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 1.38 0.88 0.91 0.00 0.00 47 K 9.54 3.88 0.00 2.02 1.31 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 48 E 9.96 3.28 0.00 2.22 1.36 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 2.35 2.37 0.00 49 L 7.19 2.93 0.00 2.25 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.36 3.11 0.00 1.93 1.84 0.00 3.30 0.00 0.00 3.22 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 51 K 8.88 3.29 0.00 1.81 1.65 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 52 A 8.99 3.06 1.30 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 0.00 0.00 53 I 6.94 3.04 2.15 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 1.45 0.70 0.91 0.00 0.00 54 A 10.60 4.16 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 9.61 3.26 0.00 1.84 2.05 0.00 3.40 0.00 0.00 3.92 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 56 I 7.44 2.53 1.75 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 0.99 0.94 0.93 0.00 0.00 57 K 5.66 3.85 0.00 1.84 1.81 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.77 7.81 58 T 7.65 3.89 4.17 0.00 0.00 0.00 0.00 0.00 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 59 I 8.87 2.56 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 1.30 1.47 0.96 0.00 0.00 60 Q 6.74 2.83 0.00 2.21 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.25 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 61 G 7.12 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 3.56 0.00 2.13 1.89 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 2.50 2.52 0.00 63 E 8.68 3.70 0.00 2.08 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 2.31 2.53 0.00 64 G 11.30 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.50 4.78 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.