NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5954 8.1293 121.6973 57.0443 39.8478 173.4249 2 C 4.0241 7.5987 120.0151 55.0137 38.3080 171.4709 3 Q 4.1642 9.2182 119.5325 56.0699 29.8229 178.6964 4 K 4.3244 6.1534 123.8254 54.5724 34.6782 175.7903 5 W 4.5239 8.5374 130.6805 59.6498 30.8131 175.5340 6 M 3.1326 8.9442 123.7135 55.9123 30.8512 176.0927 7 W 4.8455 8.1104 118.2251 55.3992 31.4684 175.7184 8 T 4.5718 8.5266 111.3528 62.4967 69.2777 174.9406 9 C 4.6419 8.7074 119.0904 56.4002 45.6391 173.8730 10 D 4.7505 8.4657 128.4034 53.6017 41.8447 176.5829 11 S 4.1067 8.5687 113.2633 62.3607 62.9805 174.8620 12 A 4.4668 7.0746 118.9593 51.0293 20.3084 175.7066 13 R 4.1946 7.7987 121.3603 56.2427 32.0135 177.2373 14 K 4.4157 8.1952 117.7047 55.5890 32.7406 175.5359 15 C 5.0064 8.3728 124.9667 55.3189 45.2056 172.9838 16 C 4.7018 8.4191 119.6106 55.2672 41.6304 173.5588 17 E 4.0417 8.5175 118.2664 57.9946 29.4159 177.5644 18 G 3.9188 8.9013 108.2184 45.6707 0.0000 172.9881 19 L 5.0591 7.3637 116.7152 52.5881 45.3930 175.8499 20 V 4.3214 8.2159 120.1146 61.4419 33.6199 175.5679 21 C 4.5452 8.5939 129.2547 56.5147 43.0958 175.5490 22 R 4.0932 7.3762 119.5661 54.5632 29.2757 175.5719 23 L 4.0011 8.3307 127.2892 54.5976 41.6017 173.5733 24 W 5.4739 6.3556 113.0169 54.4835 31.5398 175.6933 25 C 5.4345 9.6826 120.4491 57.3480 35.5025 171.3665 26 K 4.5749 8.5139 122.3503 55.9595 33.0428 176.1566 27 K 5.0446 9.0728 128.6569 54.5243 30.6241 175.2106 28 I 4.4343 7.4974 115.0921 59.1581 40.3650 175.5222 29 I 3.9235 8.2611 121.7932 61.8263 36.9873 176.0396 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 Y 8.13 4.60 0.00 2.84 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 2 C 7.60 4.02 0.00 2.93 2.86 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 3 Q 9.22 4.16 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.82 2.68 0.00 4 K 6.15 4.32 0.00 0.79 1.41 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 0.21 7.81 5 W 8.54 4.52 0.00 3.19 3.20 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 6 M 8.94 3.13 0.00 1.88 1.12 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 7 W 8.11 4.85 0.00 3.55 3.21 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 8 T 8.53 4.57 4.33 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 1.27 0.00 0.00 9 C 8.71 4.64 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.47 4.75 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.11 0.00 3.94 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 12 A 7.07 4.47 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 13 R 7.80 4.19 0.00 1.90 2.21 0.00 3.44 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 14 K 8.20 4.42 0.00 1.69 1.68 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 15 C 8.37 5.01 0.00 2.99 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 16 C 8.42 4.70 0.00 2.87 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 17 E 8.52 4.04 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 18 G 8.90 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 19 L 7.36 5.06 0.00 1.83 1.61 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.22 4.32 2.11 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 1.03 0.00 0.00 1.02 0.00 0.00 21 C 8.59 4.55 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.38 4.09 0.00 1.69 1.63 0.00 3.29 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 23 L 8.33 4.00 0.00 0.78 0.13 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 W 6.36 5.47 0.00 3.31 3.17 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 25 C 9.68 5.43 0.00 3.32 3.27 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 0.00 26 K 8.51 4.57 0.00 1.84 1.89 0.00 1.83 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.94 1.68 7.81 27 K 9.07 5.04 0.00 1.79 1.57 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.60 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.09 1.17 7.81 28 I 7.50 4.43 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 1.49 0.41 0.96 0.00 0.00 29 I 8.26 3.92 1.86 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 1.25 0.51 0.90 0.00 0.00