NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3815 8.2493 123.5819 51.2540 20.1498 176.4117 2 V 4.2843 7.3482 117.8892 59.5152 34.2267 172.6353 3 Q 4.4019 9.1563 121.2146 55.8786 30.9936 176.3320 4 Q 4.4412 8.4833 113.2536 55.7952 31.3236 174.5409 5 N 5.0594 7.9385 113.4539 51.1135 41.6990 172.7755 6 K 4.3591 8.3169 120.5318 54.5632 32.5524 172.8542 7 P 4.3123 0.0000 0.0000 61.8276 30.9316 175.9311 8 T 3.9623 8.1330 116.6644 61.9628 68.3930 174.6271 9 R 3.9157 8.9196 124.7442 59.6524 29.7841 178.9129 10 S 4.0768 8.0212 112.7999 61.7307 63.0661 176.3316 11 K 4.1313 8.3381 122.4151 57.2288 31.7997 178.2803 12 R 3.9601 8.0686 119.3337 59.2739 29.4817 177.2814 13 G 4.0480 7.8393 101.9429 44.8378 0.0000 174.2502 14 M 4.4043 7.9269 119.7965 56.5131 31.8107 177.4533 15 R 4.1716 7.6720 119.4155 58.4946 30.7377 177.9265 16 R 3.8892 8.3353 116.7469 59.4946 29.7131 178.2062 17 S 3.3931 8.5854 108.9594 60.2435 64.0145 172.9087 18 H 4.6220 8.0032 120.5546 55.5415 29.3163 173.0860 19 D 3.8782 9.1033 132.8344 52.8642 45.1786 177.6425 20 A 3.6726 8.8410 115.6121 52.7041 15.9061 176.5061 21 L 3.9842 7.5085 125.4553 53.8524 43.2416 176.9075 22 T 4.6207 8.1217 108.6044 60.0841 71.1495 172.6760 23 A 4.5546 8.0996 123.9404 53.0461 21.3439 178.8885 24 V 4.1099 6.6472 111.7591 61.8024 35.5669 174.1130 25 T 4.0534 8.0461 118.4611 62.8526 68.9461 172.2705 26 S 4.4672 7.3757 116.0553 58.6149 63.7762 171.9182 27 L 4.8856 7.9399 123.2984 53.0684 45.4801 176.8985 28 S 4.1937 8.3822 113.3376 60.8434 63.8288 175.3274 29 V 3.5003 7.5800 119.9095 61.6690 31.3241 170.9930 30 D 4.6299 8.3189 123.4793 54.8889 39.4322 176.8411 31 K 4.4780 7.6073 117.1885 56.3904 34.4706 176.3290 32 T 4.3245 7.4987 112.2562 60.6153 68.5412 174.4726 33 S 4.2880 8.5843 119.9019 60.1777 62.9737 175.4252 34 G 5.0091 7.3246 115.3179 46.0751 0.0000 172.9682 35 E 3.8938 8.3720 123.2268 55.6737 27.4710 177.6813 36 K 3.7329 9.2743 128.2583 56.2117 32.1003 173.2955 37 H 4.4638 7.9776 122.6580 55.8161 28.9793 174.9337 38 L 4.2553 8.4103 120.2678 57.2639 42.2711 177.7969 39 R 4.4927 7.9073 113.9895 57.6138 33.3068 175.1947 40 H 4.7413 8.0284 116.7788 55.4542 31.4699 173.8979 41 H 4.5044 7.8060 131.8973 55.2817 29.0476 175.6172 42 I 3.5957 8.0764 119.8853 61.1933 36.7358 176.7731 43 T 3.7312 8.7196 118.5517 65.1462 69.0842 176.8481 44 A 4.0837 7.5702 123.9348 54.3881 18.7122 177.7722 45 D 4.4543 7.8506 110.9477 54.0691 44.3070 175.8067 46 G 4.5125 7.3691 104.9444 46.3254 0.0000 171.9561 47 Y 4.6399 7.2645 123.1053 57.3611 40.3052 173.0021 48 Y 4.1200 8.8448 117.6129 59.2850 41.8929 175.6375 49 R 4.3596 7.9181 118.3129 57.3109 31.8434 176.9877 50 G 4.0757 7.6560 105.0158 46.4691 0.0000 173.1411 51 R 4.2215 8.5943 117.5635 55.7622 31.0939 177.1061 52 K 3.9933 7.9550 118.7498 57.6571 33.3313 178.5452 53 V 3.2573 8.4808 127.3694 63.7061 30.7545 175.0991 54 I 4.5836 8.8655 114.4655 59.0061 39.8339 173.9164 55 A 4.9056 8.2880 129.3633 51.8592 18.3809 175.4175 56 K 4.1365 8.8351 122.7552 58.6021 32.6228 175.0138 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 A 8.25 4.38 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 2 V 7.35 4.28 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 0.70 0.00 0.00 0.93 0.00 0.00 3 Q 9.16 4.40 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.48 4.44 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 5 N 7.94 5.06 0.00 2.64 2.74 0.00 0.00 6.70 7.61 0.00 0.00 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 K 8.32 4.36 0.00 1.67 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.48 7.81 7 P 0.00 4.31 0.00 2.07 2.05 0.00 3.76 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 2.03 2.10 0.00 8 T 8.13 3.96 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 9 R 8.92 3.92 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 10 S 8.02 4.08 0.00 3.99 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 11 K 8.34 4.13 0.00 1.83 1.92 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.43 7.81 12 R 8.07 3.96 0.00 1.87 1.97 0.00 3.44 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 13 G 7.84 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 14 M 7.93 4.40 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 15 R 7.67 4.17 0.00 1.81 1.88 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 16 R 8.34 3.89 0.00 1.78 1.95 0.00 3.37 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 17 S 8.59 3.39 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.00 4.62 0.00 3.21 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.10 3.88 0.00 2.57 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 20 A 8.84 3.67 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.98 0.00 1.62 1.66 0.92 0.88 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 22 T 8.12 4.62 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 23 A 8.10 4.55 1.27 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 0.00 0.00 24 V 6.65 4.11 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 0.69 0.00 0.00 0.93 0.00 0.00 25 T 8.05 4.05 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 26 S 7.38 4.47 0.00 3.85 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 0.00 27 L 7.94 4.89 0.00 1.60 1.50 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.38 4.19 0.00 3.91 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 29 V 7.58 3.50 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.21 0.00 0.00 30 D 8.32 4.63 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 4.48 0.00 1.83 2.06 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.41 7.81 32 T 7.50 4.32 4.07 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 1.07 0.00 0.00 33 S 8.58 4.29 0.00 3.87 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 34 G 7.32 5.01 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 35 E 8.37 3.89 0.00 1.80 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 2.23 2.30 0.00 36 K 9.27 3.73 0.00 1.80 1.91 0.00 1.57 0.00 0.00 0.90 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.38 7.81 37 H 7.98 4.46 0.00 3.44 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.41 4.26 0.00 1.61 1.71 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.91 4.49 0.00 1.81 1.95 0.00 3.33 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 40 H 8.03 4.74 0.00 3.23 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.81 4.50 0.00 3.22 3.05 0.00 5.94 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.08 3.60 1.33 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.13 -0.41 0.00 0.00 43 T 8.72 3.73 4.15 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 1.06 0.00 0.00 44 A 7.57 4.08 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 45 D 7.85 4.45 0.00 2.59 2.74 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 46 G 7.37 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.26 4.64 0.00 3.15 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 48 Y 8.84 4.12 0.00 2.81 2.76 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 0.00 49 R 7.92 4.36 0.00 1.83 1.88 0.00 3.28 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 50 G 7.66 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 0.00 0.00 0.00 0.00 51 R 8.59 4.22 0.00 1.79 1.97 0.00 3.26 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 1.63 1.72 0.00 52 K 7.95 3.99 0.00 2.11 1.93 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.55 7.81 53 V 8.48 3.26 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 0.80 0.00 0.00 0.98 0.00 0.00 54 I 8.87 4.58 1.90 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 1.38 0.89 0.93 0.00 0.00 55 A 8.29 4.91 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 0.00 0.00 0.00 0.00 0.00 56 K 8.84 4.14 0.00 1.65 1.50 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.38 7.81