NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4271 8.1500 121.7895 55.5454 31.9154 174.4091 4 V 4.7965 7.7505 117.7330 59.4086 34.2012 173.1621 5 T 4.6651 9.7751 119.8234 60.0570 71.5987 172.5079 6 Q 5.2807 8.7886 125.0998 54.4111 31.2408 175.1115 7 S 4.8572 8.8084 116.1845 56.3269 66.7711 172.1696 8 P 4.8792 0.0000 0.0000 61.9723 32.2776 176.1520 9 E 4.1153 8.6780 116.6239 58.1637 29.9960 177.0464 10 A 4.7039 7.7999 121.0215 49.8547 21.8245 174.5524 11 L 4.6504 8.5461 123.5033 53.1226 44.5426 176.0204 12 R 4.4855 8.5992 124.5266 54.4788 31.2539 174.4990 13 L 4.9085 8.0911 122.0363 52.5076 44.5770 176.5806 14 Q 4.1854 8.9211 123.0649 54.9459 29.8216 174.9398 15 E 3.9011 8.6610 124.0655 58.3654 29.7770 177.2446 16 G 3.8512 9.0459 114.3938 45.1210 0.0000 172.7595 17 E 4.2278 7.8419 120.4249 54.7628 28.8883 176.1880 18 S 4.3047 8.2929 122.5891 59.0018 63.5928 173.7612 19 S 4.5837 7.9663 115.6505 57.4228 64.9367 173.7303 20 S 4.6479 8.3553 118.2388 56.2499 65.0574 173.3750 21 L 4.4652 8.3118 124.3466 53.6466 42.9185 175.2434 22 N 5.1098 8.8730 122.1676 52.2790 41.3188 172.8830 23 C 5.3185 8.9252 124.3585 55.2437 47.4935 172.9438 24 S 5.1409 9.0821 123.3620 57.3878 64.7237 173.1290 25 Y 5.5165 8.0060 120.2708 55.6201 40.8583 174.2517 26 T 4.7108 9.0292 111.1880 60.2593 71.7912 173.4550 27 V 4.4863 8.3099 117.0555 59.9160 36.0282 174.7679 28 S 4.3112 8.8333 116.3716 61.1529 63.0414 175.1336 29 G 4.1416 7.5153 107.0671 43.4944 0.0000 172.1317 30 L 4.1261 8.5590 125.9130 54.7095 42.4654 176.4773 31 R 4.2253 8.7644 127.0459 58.4753 30.9672 176.6309 32 G 3.8769 7.6451 102.2338 44.5829 0.0000 171.6040 *39 L 4.7844 7.7996 123.4424 54.8326 43.5366 175.2846 40 F 5.2902 8.7460 122.9465 55.4655 42.6360 174.2549 41 W 4.9278 9.0163 121.9051 55.1837 31.9975 174.3410 42 Y 5.1612 8.9651 120.4904 56.2161 41.3944 174.5580 43 R 4.7448 9.0811 122.9477 54.7236 32.7509 174.5744 44 Q 4.8409 8.6260 126.1651 54.5486 31.5645 174.2613 45 D 4.7920 8.6708 126.0649 52.1310 42.5099 174.1574 46 P 4.2625 0.0000 0.0000 64.6680 31.5147 177.0159 47 G 3.9228 9.1043 110.7616 45.3714 0.0000 172.4263 48 K 4.6333 7.9216 118.0576 53.8720 35.2800 175.9914 49 G 3.9057 8.2697 108.8070 44.2853 0.0000 171.9122 50 P 4.5676 0.0000 0.0000 62.8227 32.1233 175.3216 51 E 4.7942 9.6982 125.9114 54.0716 31.7687 174.8552 52 F 3.8408 9.1306 129.4995 59.0214 39.5664 172.9822 53 L 3.8463 7.2865 124.0828 55.3709 43.2920 176.5251 54 F 4.7412 6.4493 115.1801 56.2210 43.8125 172.6771 55 T 4.6163 8.5028 115.0221 60.1742 69.8558 172.8951 56 L 4.4865 8.5943 127.7548 53.2409 44.4307 175.9080 57 Y 4.6561 9.1538 119.3547 58.4610 40.4248 176.5919 58 S 4.7066 7.9125 111.9678 55.5682 66.2106 172.9287 59 A 4.1901 8.6811 124.5147 54.5519 18.2751 177.9527 60 G 4.0098 9.0715 112.2499 45.1336 0.0000 173.7836 61 E 3.9214 8.1415 121.5927 55.9695 30.2542 175.1882 *66 E 4.8044 8.2613 122.1133 56.4102 31.1044 175.0455 67 K 4.5999 8.5564 120.2344 54.6065 36.3419 174.8719 68 E 4.9360 8.5427 123.6673 54.4283 33.2739 174.9073 69 K 4.3962 9.2765 127.1951 55.5229 35.9893 175.8404 70 E 3.5198 9.1139 129.7453 57.7998 29.5599 176.4077 *78 R 4.4763 8.7127 113.3396 55.2766 31.9473 174.2795 79 L 4.7505 7.6932 118.9624 52.7261 44.3197 175.4936 80 K 4.6637 8.3187 123.3588 54.6224 35.0004 174.7755 81 A 4.5477 8.3436 129.9856 50.3852 21.1446 175.6067 82 T 5.1367 8.2454 110.6928 59.9033 72.7781 172.8748 83 L 4.7796 8.2172 122.4015 53.9170 45.8131 176.0589 84 T 4.2574 8.7045 121.3592 63.7745 68.7871 174.2352 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 3 Q 8.15 4.43 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 4 V 7.75 4.80 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 0.83 0.00 0.00 0.95 0.00 0.00 5 T 9.78 4.67 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 1.22 0.00 0.00 6 Q 8.79 5.28 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 7 S 8.81 4.86 0.00 3.89 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 8 P 0.00 4.88 0.00 2.40 2.12 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 9 E 8.68 4.12 0.00 2.12 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 0.00 2.29 2.32 0.00 10 A 7.80 4.70 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 11 L 8.55 4.65 0.00 1.58 1.53 0.92 0.90 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 12 R 8.60 4.49 0.00 1.79 1.84 0.00 3.38 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 13 L 8.09 4.91 0.00 1.58 1.54 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.92 4.19 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 15 E 8.66 3.90 0.00 1.96 1.88 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 2.30 2.34 0.00 16 G 9.05 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 0.00 0.00 0.00 17 E 7.84 4.23 0.00 1.93 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 0.00 2.28 2.26 0.00 18 S 8.29 4.30 0.00 3.88 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 19 S 7.97 4.58 0.00 3.77 3.65 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 0.00 0.00 0.00 0.00 20 S 8.36 4.65 0.00 3.92 3.74 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 0.00 0.00 0.00 0.00 21 L 8.31 4.47 0.00 1.48 1.75 0.86 1.02 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 22 N 8.87 5.11 0.00 2.84 2.87 0.00 0.00 6.26 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 23 C 8.93 5.32 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 24 S 9.08 5.14 0.00 3.83 3.72 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 25 Y 8.01 5.52 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 9.03 4.71 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 1.18 0.00 0.00 27 V 8.31 4.49 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 0.85 0.00 0.00 1.12 0.00 0.00 28 S 8.83 4.31 0.00 4.00 4.02 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 0.00 0.00 0.00 29 G 7.52 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 30 L 8.56 4.13 0.00 1.72 1.65 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.76 4.23 0.00 1.88 2.03 0.00 3.43 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 32 G 7.65 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 0.00 0.00 0.00 *39 L 7.80 4.78 0.00 1.40 1.34 0.56 0.86 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 40 F 8.75 5.29 0.00 2.98 3.10 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 41 W 9.02 4.93 0.00 3.33 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 42 Y 8.97 5.16 0.00 2.83 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 43 R 9.08 4.74 0.00 1.86 1.78 0.00 3.02 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 44 Q 8.63 4.84 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 45 D 8.67 4.79 0.00 2.76 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 46 P 0.00 4.26 0.00 2.04 2.03 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 47 G 9.10 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 48 K 7.92 4.63 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.35 7.81 49 G 8.27 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 50 P 0.00 4.57 0.00 1.74 1.93 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 51 E 9.70 4.79 0.00 2.04 1.99 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 2.26 2.27 0.00 52 F 9.13 3.84 0.00 3.00 2.93 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 53 L 7.29 3.85 0.00 1.06 0.38 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 F 6.45 4.74 0.00 2.89 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 55 T 8.50 4.62 3.76 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 1.23 0.00 0.00 56 L 8.59 4.49 0.00 1.29 1.37 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.15 4.66 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 58 S 7.91 4.71 0.00 3.98 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 59 A 8.68 4.19 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 60 G 9.07 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 0.00 0.00 0.00 61 E 8.14 3.92 0.00 2.09 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 2.30 2.25 0.00 *66 E 8.26 4.80 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 67 K 8.56 4.60 0.00 1.14 1.54 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.24 7.81 68 E 8.54 4.94 0.00 1.80 1.69 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 0.00 2.16 2.40 0.00 69 K 9.28 4.40 0.00 2.02 1.81 0.00 1.84 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 70 E 9.11 3.52 0.00 2.22 1.12 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 2.27 2.41 0.00 *78 R 8.71 4.48 0.00 1.85 1.98 0.00 3.26 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 79 L 7.69 4.75 0.00 1.83 1.64 0.91 0.47 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 80 K 8.32 4.66 0.00 1.57 1.48 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.09 1.32 7.81 81 A 8.34 4.55 0.72 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 0.00 0.00 82 T 8.25 5.14 4.22 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 1.12 0.00 0.00 83 L 8.22 4.78 0.00 1.70 1.51 0.95 0.77 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 84 T 8.70 4.26 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.