NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4106 8.3049 120.3490 55.2356 33.4335 174.4650 2 K 4.4225 8.4438 124.4237 54.3913 34.0848 174.4040 3 R 4.6026 8.4594 121.0651 54.3201 33.4104 175.4539 4 V 4.1365 8.2285 121.3474 61.9532 32.2546 175.1273 5 M 4.8776 8.2684 125.9903 53.0244 35.4480 174.9861 6 F 4.4705 8.9434 124.7029 58.5668 39.8584 174.5013 7 H 4.4528 8.4179 122.1372 55.5260 30.3114 173.7446 8 A 4.4410 7.3772 119.8151 51.6425 21.4812 175.0977 9 K 4.5982 8.3869 117.4111 56.0061 35.0760 175.1839 10 I 4.3946 8.2548 121.0601 59.8626 38.9337 174.5903 11 H 4.6254 8.8619 125.4912 55.9074 31.2734 174.9178 12 R 3.5886 8.2156 125.0225 57.1342 27.4163 175.9987 13 A 4.3407 7.5932 118.4284 51.8776 20.0900 177.2251 14 T 4.4708 8.0289 116.6346 61.4465 70.2018 175.1010 15 V 3.7275 8.3672 126.9546 63.1111 31.9563 175.5422 16 T 4.3763 8.3180 116.8838 62.3673 69.9848 174.0500 17 Q 4.5324 7.6084 117.2748 55.6407 30.9616 172.8550 18 A 4.6161 8.0686 119.9639 51.3814 22.0051 176.5484 19 D 4.6398 8.1831 119.8875 52.3612 42.0442 175.1464 20 L 3.9705 8.4518 126.2513 57.5005 42.3204 177.5586 21 H 4.9341 7.6476 112.9055 55.5017 29.0714 174.5532 22 Y 4.4657 7.6868 118.9342 56.8279 38.8852 175.9573 23 V 3.3860 7.7834 118.3257 63.0762 31.8486 174.4431 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 M 8.30 4.41 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.44 4.42 0.00 1.86 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.47 7.81 3 R 8.46 4.60 0.00 1.77 1.83 0.00 3.20 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 4 V 8.23 4.14 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 0.84 0.00 0.00 0.95 0.00 0.00 5 M 8.27 4.88 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 6 F 8.94 4.47 0.00 2.85 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 7 H 8.42 4.45 0.00 3.10 3.30 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.38 4.44 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 0.00 0.00 0.00 0.00 0.00 9 K 8.39 4.60 0.00 1.88 1.92 0.00 1.25 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.70 1.57 7.81 10 I 8.25 4.39 1.88 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 1.32 0.69 0.92 0.00 0.00 11 H 8.86 4.63 0.00 3.07 3.22 0.00 6.07 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.22 3.59 0.00 1.86 1.87 0.00 3.24 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.00 13 A 7.59 4.34 1.22 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 0.00 0.00 0.00 14 T 8.03 4.47 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 1.20 0.00 0.00 15 V 8.37 3.73 2.06 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 0.79 0.00 0.00 0.91 0.00 0.00 16 T 8.32 4.38 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 1.25 0.00 0.00 17 Q 7.61 4.53 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 18 A 8.07 4.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.64 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 3.97 0.00 1.59 1.65 0.88 1.01 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 21 H 7.65 4.93 0.00 3.28 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.69 4.47 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.39 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 0.67 0.00 0.00 0.82 0.00 0.00