NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3324 8.2644 123.5837 52.1486 18.8804 175.6199 3 R 4.2470 8.0672 119.9670 56.9593 31.5259 175.4365 4 K 3.9529 8.2472 120.7929 59.5599 32.7423 178.1563 5 A 4.0707 7.9993 120.1212 54.5955 18.2543 179.2105 6 L 4.1578 7.8592 117.6559 57.4454 41.8758 179.1097 7 I 3.8250 7.3832 111.9643 63.6863 37.7620 177.6662 8 E 4.0762 7.9329 121.0188 58.9244 29.4446 178.5029 9 K 4.0420 7.9855 119.1383 59.0045 31.9983 178.5676 10 A 3.7410 7.9098 120.3730 53.9218 18.3085 178.0305 11 K 4.2383 7.3138 114.1268 56.4934 32.8594 177.8888 12 R 3.8423 7.6358 119.9261 59.4868 30.6966 176.8429 13 T 3.4415 7.7636 111.2449 64.1898 65.7187 170.6381 14 P 4.2991 0.0000 0.0000 65.6769 32.7362 178.3527 15 K 3.8882 7.2678 120.8625 54.3962 33.3947 176.5737 16 F 4.3832 6.4072 118.9378 58.3978 39.5121 176.4403 17 K 4.1932 8.6856 120.5272 59.5655 32.7326 177.8092 18 V 4.2586 7.1360 120.4032 63.0889 31.2285 176.5195 19 R 4.7544 8.2841 114.9668 55.6706 33.9906 175.7636 20 A 4.2706 7.9203 122.3532 51.4789 17.8643 176.9555 21 Y 4.3827 7.6644 119.5346 56.9833 39.0885 176.6918 22 T 3.9755 8.3135 111.1333 62.2188 69.3752 174.0758 23 R 4.5807 8.1858 122.9587 55.2546 32.6824 174.2146 24 C 4.3257 8.7188 126.3222 60.1647 32.2669 174.5555 25 V 3.6393 8.3578 126.2937 65.7069 30.9814 177.2502 26 R 3.7988 7.5145 116.6423 58.8618 30.0146 176.3342 27 C 4.3240 8.2357 116.6863 57.7624 31.2627 173.9676 28 G 4.3844 7.9110 107.7622 47.0343 0.0000 174.1204 29 R 4.1255 7.5785 117.8338 55.8420 31.2902 176.6031 30 A 4.3347 8.5131 125.9180 53.8297 19.0284 176.9745 31 R 4.6347 7.2383 110.7409 55.3356 32.7917 174.8160 32 S 3.6920 8.5172 109.5793 59.4538 60.2667 172.3560 33 V 4.4479 7.1012 120.9936 61.7352 30.9561 175.3746 34 Y 4.2322 8.8150 126.5704 58.0979 38.4207 177.9579 35 R 4.0281 8.8291 123.3875 59.2429 30.7345 177.8484 36 F 4.2089 8.6437 118.8388 61.4276 39.4552 176.1619 37 F 4.0846 8.8166 117.4393 58.3354 39.3251 176.9965 38 G 3.9740 8.9636 107.6819 45.7421 0.0000 172.6970 39 L 5.0029 7.7367 119.1670 52.4692 44.7963 175.4573 40 C 5.2780 8.4836 114.0424 56.5979 30.9630 174.8111 41 R 4.0782 8.7113 117.7044 60.0556 28.6951 178.5541 42 I 3.8080 7.7999 120.4894 64.1871 37.2765 177.8375 43 C 4.4716 7.9198 116.3070 60.4762 29.5003 175.4845 44 L 3.6645 7.8857 123.1482 58.2142 41.6414 178.9909 45 R 3.7988 7.6511 118.4798 59.2150 29.6247 178.1360 46 E 3.9712 8.0793 118.4097 59.6419 29.5161 179.4943 47 L 4.0016 7.9932 118.5428 57.6721 41.4484 179.3073 48 A 3.9598 7.7362 119.8250 55.6084 18.3095 179.1442 49 H 4.2901 7.9913 113.8446 58.9025 28.8377 177.9409 50 K 4.1923 7.5543 119.3677 57.5365 31.6354 178.2978 51 G 3.9925 8.3994 106.7163 45.4632 0.0000 174.3209 52 Q 4.2111 7.8416 116.2949 56.2669 29.0959 176.2511 53 L 4.6810 7.2768 119.9627 51.8176 41.3696 173.4230 54 P 4.4242 0.0000 0.0000 63.9388 31.7191 177.7222 55 G 3.9093 8.8803 110.0294 45.7767 0.0000 174.1691 56 V 3.9425 7.5294 119.8018 61.6747 30.1042 174.9332 57 R 4.4924 7.8767 125.5047 53.4632 32.0468 175.7124 58 K 3.9031 8.4321 122.8449 56.1807 32.3016 176.4360 59 A 4.3058 8.4708 130.1507 52.2434 18.9888 176.9099 60 S 4.3773 8.5986 118.8737 57.3474 66.5532 174.3936 61 W 4.6071 8.0727 121.9638 57.0199 27.3319 174.2204 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 A 8.26 4.33 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 3 R 8.07 4.25 0.00 1.95 1.89 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 4 K 8.25 3.95 0.00 1.92 1.79 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 8.00 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.16 0.00 1.88 1.80 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.38 3.83 1.89 0.00 0.00 0.87 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 0.63 1.01 0.00 0.00 8 E 7.93 4.08 0.00 2.11 1.98 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 2.30 2.35 0.00 9 K 7.99 4.04 0.00 1.94 1.99 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 10 A 7.91 3.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.24 0.00 1.72 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.46 7.81 12 R 7.64 3.84 0.00 1.74 1.98 0.00 3.44 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 13 T 7.76 3.44 4.21 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 1.19 0.00 0.00 14 P 0.00 4.30 0.00 2.09 2.11 0.00 3.72 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 1.91 1.94 0.00 15 K 7.27 3.89 0.00 1.35 0.74 0.00 1.14 0.00 0.00 1.14 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.14 1.15 7.81 16 F 6.41 4.38 0.00 3.12 3.02 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 17 K 8.69 4.19 0.00 1.97 2.12 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.48 7.81 18 V 7.14 4.26 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 0.82 0.00 0.00 0.97 0.00 0.00 19 R 8.28 4.75 0.00 1.96 1.99 0.00 3.26 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 20 A 7.92 4.27 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 21 Y 7.66 4.38 0.00 3.11 2.99 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 22 T 8.31 3.98 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 1.26 0.00 0.00 23 R 8.19 4.58 0.00 1.63 1.71 0.00 3.37 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 24 C 8.72 4.33 0.00 3.08 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 25 V 8.36 3.64 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 0.84 0.00 0.00 1.01 0.00 0.00 26 R 7.51 3.80 0.00 1.87 1.84 0.00 3.27 0.00 0.00 3.30 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 27 C 8.24 4.32 0.00 3.09 3.05 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 28 G 7.91 4.38 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 29 R 7.58 4.13 0.00 1.90 1.85 0.00 3.20 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.66 0.00 30 A 8.51 4.33 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 0.00 0.00 0.00 0.00 0.00 31 R 7.24 4.63 0.00 1.93 2.01 0.00 3.12 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 1.57 1.64 0.00 32 S 8.52 3.69 0.00 4.08 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 33 V 7.10 4.45 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 0.88 0.00 0.00 1.04 0.00 0.00 34 Y 8.82 4.23 0.00 3.29 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 35 R 8.83 4.03 0.00 1.92 2.06 0.00 3.26 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 36 F 8.64 4.21 0.00 3.08 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 37 F 8.82 4.08 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.96 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.74 5.00 0.00 1.76 1.62 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.48 5.28 0.00 3.16 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 41 R 8.71 4.08 0.00 2.16 2.50 0.00 3.03 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 42 I 7.80 3.81 1.89 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 1.72 1.07 0.95 0.00 0.00 43 C 7.92 4.47 0.00 3.15 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 44 L 7.89 3.66 0.00 1.57 1.75 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.65 3.80 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 46 E 8.08 3.97 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 47 L 7.99 4.00 0.00 1.67 1.72 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.74 3.96 1.24 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 0.00 0.00 0.00 49 H 7.99 4.29 0.00 3.31 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.55 4.19 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.61 7.81 51 G 8.40 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 0.00 0.00 0.00 52 Q 7.84 4.21 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 L 7.28 4.68 0.00 1.63 1.86 0.74 1.19 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 54 P 0.00 4.42 0.00 2.07 2.04 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 55 G 8.88 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 56 V 7.53 3.94 2.32 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 0.75 0.00 0.00 1.30 0.00 0.00 57 R 7.88 4.49 0.00 1.82 1.81 0.00 3.31 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 58 K 8.43 3.90 0.00 1.74 1.72 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.37 7.81 59 A 8.47 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.38 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.07 4.61 0.00 3.31 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