NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1144 8.3144 119.9965 57.4030 33.7852 170.8896 3 V 3.2089 8.6612 131.6420 61.4666 33.0399 170.5481 4 R 4.6263 8.8803 127.7782 53.6206 30.7595 172.3636 5 S 4.3950 7.2155 113.4868 57.9119 66.9911 174.7618 6 S 4.1822 8.6592 116.4059 59.7301 60.9937 174.0964 7 V 4.2931 7.9338 118.6990 59.6818 32.6929 175.6500 8 K 3.6889 8.1771 122.0148 55.6346 31.3104 175.3054 9 K 3.7034 8.6392 118.3538 59.7527 31.9483 174.4858 10 M 2.7227 8.4824 127.9759 55.5803 31.1346 173.0635 11 C 3.7699 8.5551 130.1283 59.1425 26.4602 173.6392 12 D 4.4647 8.8540 124.8920 57.0512 40.8695 177.3852 13 N 4.2942 8.1866 116.7410 56.0448 39.0615 173.6244 14 C 4.6491 8.2834 115.9361 58.3078 27.1221 173.5371 15 K 4.1649 8.2663 124.0465 56.4410 32.3098 178.2503 16 V 4.0192 8.2447 114.1542 61.3491 31.9756 173.3222 17 V 3.1313 7.7864 126.8134 62.0152 32.3466 171.0018 18 R 4.5075 8.5613 126.9172 54.7500 30.9693 174.1145 19 R 4.4830 8.5421 122.8950 56.0494 32.2285 175.8336 20 H 4.6736 10.3784 120.5329 55.5368 31.7213 174.0917 21 G 4.2556 6.9631 118.2928 45.3908 0.0000 171.3308 22 R 4.9719 7.3258 123.6875 55.0448 33.8253 174.7930 23 V 4.2961 8.0425 112.1203 61.7834 35.7924 175.6699 24 L 3.6251 7.1547 120.4896 54.3734 40.0804 173.9063 25 V 4.0996 7.2208 111.4423 61.8678 33.3341 172.2225 26 I 4.7189 8.2723 126.6197 61.8728 38.0872 176.1981 27 C 4.1496 7.7623 119.8609 59.1610 31.3063 175.1685 28 S 4.8452 8.3145 108.5996 56.4497 65.4573 173.1989 29 N 4.6239 8.3717 120.6788 53.7031 45.1890 175.7086 30 V 4.2706 8.5538 118.2337 61.6973 34.2513 171.7656 31 K 4.2160 8.4114 133.5516 56.7393 36.6584 174.6591 32 H 4.9262 8.0242 112.1032 53.9474 31.4304 173.3341 33 K 4.5116 8.3949 123.6221 54.6434 31.7656 175.0224 34 Q 4.3809 7.8447 121.0583 54.8843 30.2896 175.6310 35 R 4.3513 7.7529 116.2932 56.0967 32.6287 174.2406 36 Q 4.2298 8.7752 120.6460 56.2929 28.8760 175.3528 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 K 8.31 4.11 0.00 1.88 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 3 V 8.66 3.21 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 4 R 8.88 4.63 0.00 1.74 1.76 0.00 3.32 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 5 S 7.22 4.40 0.00 3.84 3.74 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 6 S 8.66 4.18 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 4.29 2.07 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 0.86 0.00 0.00 0.92 0.00 0.00 8 K 8.18 3.69 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.49 7.81 9 K 8.64 3.70 0.00 1.74 1.89 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 10 M 8.48 2.72 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 11 C 8.56 3.77 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.46 0.00 2.63 2.73 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 13 N 8.19 4.29 0.00 2.76 2.99 0.00 0.00 7.25 7.65 0.00 0.00 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 C 8.28 4.65 0.00 3.00 2.88 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 15 K 8.27 4.16 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 16 V 8.24 4.02 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 0.99 0.00 0.00 0.93 0.00 0.00 17 V 7.79 3.13 2.09 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 0.73 0.00 0.00 0.93 0.00 0.00 18 R 8.56 4.51 0.00 1.79 1.82 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 19 R 8.54 4.48 0.00 1.82 1.74 0.00 3.23 0.00 0.00 3.24 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 20 H 10.38 4.67 0.00 3.06 3.34 0.00 5.99 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 21 G 6.96 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 0.00 0.00 0.00 0.00 22 R 7.33 4.97 0.00 1.77 2.07 0.00 3.49 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 23 V 8.04 4.30 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 0.84 0.00 0.00 0.93 0.00 0.00 24 L 7.15 3.63 0.00 2.00 1.71 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.22 4.10 2.07 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 0.72 0.00 0.00 0.93 0.00 0.00 26 I 8.27 4.72 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 1.48 0.68 0.92 0.00 0.00 27 C 7.76 4.15 0.00 3.21 3.08 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 28 S 8.31 4.85 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.37 4.62 0.00 2.67 2.40 0.00 0.00 6.71 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.55 4.27 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 0.85 0.00 0.00 0.92 0.00 0.00 31 K 8.41 4.22 0.00 1.54 1.43 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.96 0.75 7.81 32 H 8.02 4.93 0.00 3.18 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.39 4.51 0.00 1.67 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.48 7.81 34 Q 7.84 4.38 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 35 R 7.75 4.35 0.00 1.70 1.73 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 36 Q 8.78 4.23 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00