NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3521 0.0000 0.0000 61.8851 32.6599 174.9322 3 K 3.6100 8.6227 116.2715 56.2142 32.0445 174.9388 4 M 4.1395 9.3777 125.5516 55.4590 33.7581 175.2190 5 K 4.3881 8.3832 125.4475 55.2861 33.4419 176.8325 6 T 4.0011 8.3001 113.5798 61.5895 69.5678 173.4265 7 H 4.1539 9.3676 125.9315 56.0284 30.0099 175.7858 8 K 4.0289 8.8248 127.5602 59.6612 31.8482 179.3333 9 G 3.8762 8.0401 103.1199 46.9234 0.0000 174.4057 10 A 4.3893 7.9925 122.2325 54.2436 19.5824 178.8965 11 K 3.5890 7.7006 116.6678 59.3575 32.2503 177.1864 12 K 4.3644 8.0995 117.7222 56.4710 31.9863 177.4089 13 R 4.5391 8.5401 110.8336 57.2886 31.5519 174.5595 14 V 4.6488 7.5154 117.8641 61.7778 34.4992 173.5607 15 K 4.5231 8.7836 128.8606 55.2347 34.3694 174.4161 16 I 4.8240 8.1330 126.4563 59.3905 39.6037 175.5458 17 T 4.2163 9.1360 119.9541 60.6851 69.7635 175.1060 18 A 4.0066 8.6881 124.8027 55.1960 18.1533 178.8642 19 S 4.4064 7.5603 107.8725 57.9572 63.7373 174.7910 20 G 4.0364 7.9284 107.9160 45.2587 0.0000 174.4921 21 K 4.1138 8.1006 119.5038 56.4250 32.9626 175.5831 22 V 4.7976 8.2721 120.1506 61.4494 33.7503 174.3667 23 V 5.0151 8.7717 121.6838 59.7339 33.8785 175.0822 24 A 4.6806 8.5099 125.8118 50.2399 22.6136 177.1134 25 M 4.0858 8.2747 118.5444 54.8005 33.3304 175.4557 26 K 4.5223 8.2845 119.5992 55.2898 35.0634 176.1207 27 T 3.9220 8.2462 114.4952 61.9685 68.9207 171.6868 28 G 3.5554 8.5394 115.6402 45.1560 0.0000 175.3720 29 K 3.7514 8.1333 122.7108 57.9670 32.6160 175.4453 30 R 3.6944 8.0254 118.7739 57.4945 29.1749 176.7100 31 H 3.9633 9.4410 119.0840 58.8318 24.0994 179.1018 32 L 3.2751 7.3381 118.7103 52.0053 44.1579 176.7916 33 N 4.6566 8.2788 125.8700 54.7464 40.6299 176.0582 34 W 4.3973 8.0835 126.4975 60.5611 31.5965 174.9042 35 Q 3.8509 8.5261 113.0353 55.8502 25.5358 174.1474 36 K 4.3552 7.6084 123.8332 56.4445 30.8089 175.7867 37 S 4.0292 7.7907 119.3695 57.6385 61.9649 176.5115 38 G 5.3791 9.5823 120.3464 45.7620 0.0000 173.1471 39 K 4.0359 7.9235 119.9441 56.7490 31.7451 176.7277 40 E 3.9685 8.8056 119.1359 60.7046 29.4823 179.3047 41 I 3.4615 7.4893 111.0187 63.5947 38.8780 176.9066 42 R 3.7501 7.7495 121.5349 58.8341 30.4607 177.5789 43 Q 4.3798 8.0019 117.1696 54.9914 27.4117 177.5267 44 K 4.4612 7.6608 118.1427 54.5353 33.0942 176.1841 45 G 4.0461 7.6160 108.6842 44.6281 0.0000 171.5013 46 R 4.5983 8.3670 118.8612 56.3645 31.2723 176.8740 47 K 4.4222 9.0502 119.7941 55.0635 36.0977 175.4689 48 F 4.6952 8.4369 119.5586 57.7899 38.0454 175.1720 49 V 4.3181 8.4446 115.7010 59.8986 33.6875 175.1698 50 L 4.5266 8.1160 123.0733 54.3656 44.7664 176.4366 51 A 4.1051 8.6609 128.4812 50.3732 15.9250 176.7722 52 K 5.2641 7.1325 133.7733 55.4517 33.4911 174.0554 53 P 4.5538 0.0000 0.0000 65.0583 31.5194 177.5494 54 E 3.9012 8.3424 117.2168 59.6401 29.0427 179.1053 55 A 3.9196 7.9579 121.0472 54.7629 18.6673 178.8782 56 E 3.8479 7.6737 115.4413 60.0512 29.2793 180.2653 57 R 4.0089 9.5700 117.1788 58.8466 29.7950 179.0399 58 I 3.9134 7.6562 119.4721 63.6803 37.5494 177.6445 59 K 4.2507 7.9869 117.7106 56.9095 33.1012 176.8024 60 L 4.7023 6.9026 118.9058 53.5269 40.6317 176.0797 61 L 4.0402 7.3280 121.6440 57.7290 42.9453 179.3696 62 L 4.3210 7.8012 118.2782 57.1184 42.0382 177.1260 63 P 4.5125 0.0000 0.0000 62.9453 31.6976 177.2758 64 Y 2.9628 7.8156 118.5359 59.9921 37.9936 172.0389 *65 E 4.1515 8.6222 117.3862 57.2257 30.5285 171.9240 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 P 0.00 4.35 0.00 2.20 2.18 0.00 3.78 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 1.89 2.00 0.00 3 K 8.62 3.61 0.00 1.85 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 4 M 9.38 4.14 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 5 K 8.38 4.39 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 T 8.30 4.00 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 1.27 0.00 0.00 7 H 9.37 4.15 0.00 3.14 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.82 4.03 0.00 1.82 1.82 0.00 1.63 0.00 0.00 2.03 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 9 G 8.04 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 10 A 7.99 4.39 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 11 K 7.70 3.59 0.00 1.79 2.03 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.43 7.81 12 K 8.10 4.36 0.00 2.06 1.79 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 13 R 8.54 4.54 0.00 1.86 1.93 0.00 3.11 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 14 V 7.52 4.65 2.08 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 1.03 0.00 0.00 0.92 0.00 0.00 15 K 8.78 4.52 0.00 1.89 1.65 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.44 7.81 16 I 8.13 4.82 1.88 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 1.42 1.02 0.95 0.00 0.00 17 T 9.14 4.22 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 1.28 0.00 0.00 18 A 8.69 4.01 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 19 S 7.56 4.41 0.00 3.93 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 20 G 7.93 4.04 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 0.00 0.00 0.00 21 K 8.10 4.11 0.00 1.87 1.81 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.41 7.81 22 V 8.27 4.80 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 1.03 0.00 0.00 0.94 0.00 0.00 23 V 8.77 5.02 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 0.81 0.00 0.00 1.03 0.00 0.00 24 A 8.51 4.68 1.17 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 0.00 0.00 0.00 25 M 8.27 4.09 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 26 K 8.28 4.52 0.00 1.63 1.60 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.23 7.81 27 T 8.25 3.92 4.20 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 1.17 0.00 0.00 28 G 8.54 3.56 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 0.00 0.00 0.00 29 K 8.13 3.75 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.56 7.81 30 R 8.03 3.69 0.00 1.76 1.91 0.00 3.34 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 31 H 9.44 3.96 0.00 3.31 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.34 3.28 0.00 1.77 2.10 1.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.28 4.66 0.00 3.08 3.04 0.00 0.00 7.31 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 34 W 8.08 4.40 0.00 3.23 3.31 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 35 Q 8.53 3.85 0.00 1.83 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.57 0.00 0.00 0.00 0.00 0.00 2.14 2.45 0.00 36 K 7.61 4.36 0.00 1.50 1.58 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.33 7.81 37 S 7.79 4.03 0.00 3.95 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 38 G 9.58 5.38 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 0.00 0.00 0.00 39 K 7.92 4.04 0.00 2.00 1.97 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 40 E 8.81 3.97 0.00 1.97 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 2.14 1.92 0.00 41 I 7.49 3.46 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 1.31 0.00 0.00 42 R 7.75 3.75 0.00 1.88 2.26 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 43 Q 8.00 4.38 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 44 K 7.66 4.46 0.00 1.85 1.66 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.32 7.81 45 G 7.62 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.60 0.00 1.72 1.88 0.00 3.23 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 47 K 9.05 4.42 0.00 1.25 1.61 0.00 1.02 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.15 1.49 7.81 48 F 8.44 4.70 0.00 3.10 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 49 V 8.44 4.32 2.08 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 0.61 0.00 0.00 1.01 0.00 0.00 50 L 8.12 4.53 0.00 1.64 1.56 0.97 1.11 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 51 A 8.66 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.13 5.26 0.00 1.95 1.90 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.22 7.81 53 P 0.00 4.55 0.00 2.31 2.29 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 54 E 8.34 3.90 0.00 2.19 2.29 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 2.46 2.42 0.00 55 A 7.96 3.92 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 56 E 7.67 3.85 0.00 2.18 2.03 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 2.32 2.40 0.00 57 R 9.57 4.01 0.00 2.07 1.93 0.00 3.09 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 58 I 7.66 3.91 1.99 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 1.75 0.71 0.89 0.00 0.00 59 K 7.99 4.25 0.00 1.98 1.85 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.44 7.81 60 L 6.90 4.70 0.00 1.62 1.60 0.93 0.99 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 61 L 7.33 4.04 0.00 1.62 1.65 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.80 4.32 0.00 1.82 1.79 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.51 0.00 2.23 2.20 0.00 4.11 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 2.02 2.01 0.00 64 Y 7.82 2.96 0.00 2.98 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 *65 E 8.62 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.