NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2356 8.3049 120.3232 56.1748 32.4169 173.6989 2 T 4.0261 7.3860 120.9990 63.9006 75.3240 173.8034 3 P 3.8488 0.0000 0.0000 61.7124 30.2714 176.7132 4 F 4.1971 6.3070 120.2568 58.6714 39.7547 176.3044 5 W 5.0722 5.9901 117.8950 56.0209 28.0964 174.6559 6 R 4.7380 7.5600 116.3532 55.4935 34.2656 176.8101 7 G 3.8738 8.3255 106.9707 45.4072 0.0000 173.0495 8 V 3.9992 7.1671 115.8198 60.8096 33.7096 177.3081 9 S 4.6153 8.4226 114.7802 59.6019 62.7916 173.8802 10 L 4.9107 7.1756 119.0855 53.4917 45.5598 175.0578 11 R 4.4314 8.7499 119.2875 55.4002 31.3507 175.4187 12 P 4.8815 0.0000 0.0000 62.2004 32.2740 176.7227 13 I 3.8823 8.7173 121.7170 65.0901 37.2423 179.8053 14 G 3.9096 7.9912 108.0072 45.5751 0.0000 171.8440 15 A 4.8649 7.5365 119.4466 49.9135 23.6745 176.5439 16 S 4.8242 8.5863 114.5900 58.3569 64.1588 174.3937 17 C 5.1251 9.0143 121.6741 55.2319 46.2260 173.8412 18 R 4.3659 8.4822 117.7642 56.9220 32.8650 175.2690 19 D 4.6684 7.6683 114.1199 52.8335 44.1995 175.2321 20 D 4.5133 8.8981 123.9442 57.8050 40.9682 179.5055 21 S 4.1504 8.8847 114.2181 61.2937 63.2299 175.6697 22 E 4.1127 8.5713 120.7578 58.9838 29.6036 176.5124 23 C 5.0126 7.8001 115.8091 55.7733 41.4109 174.2263 24 I 3.5513 8.6893 124.8212 64.2848 37.5883 176.8152 25 T 4.1989 7.8978 106.9397 60.7438 69.2466 174.0169 26 R 4.3299 7.8907 120.6758 56.3571 28.7595 177.0376 27 L 4.5277 7.5714 117.9166 53.7908 43.5432 175.7416 28 C 4.5595 9.8053 128.9247 55.2067 42.6104 172.0959 29 R 4.0578 8.8385 124.4089 55.5383 28.7783 176.4063 30 K 3.9488 9.1653 128.1485 57.3810 29.7509 176.0241 31 R 3.9609 8.0351 113.3839 56.8458 29.0099 174.5710 32 R 5.0236 7.7618 113.9912 54.3378 34.4661 174.0495 33 C 5.0804 8.6248 118.6840 56.4898 41.8927 172.8684 34 S 4.5398 7.8762 114.1529 58.5443 64.6283 176.4999 35 L 4.2511 8.2874 120.6111 54.6771 43.2437 177.8464 36 S 4.4724 8.3360 112.8074 59.9765 62.0927 175.3638 37 V 4.4008 7.1495 110.0855 60.2878 32.6931 177.6554 38 A 4.3423 7.5493 124.7383 51.1003 18.0193 179.1744 39 Q 4.3537 7.2586 119.5499 54.6853 32.2171 175.8638 40 E 4.6059 8.6221 120.3109 57.1159 28.9458 176.2645 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 4.24 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 T 7.39 4.03 3.96 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 1.09 0.00 0.00 3 P 0.00 3.85 0.00 1.90 1.75 0.00 3.19 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 4 F 6.31 4.20 0.00 2.61 2.93 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 5 W 5.99 5.07 0.00 3.47 3.34 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 6 R 7.56 4.74 0.00 1.80 1.83 0.00 3.41 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 1.47 1.49 0.00 7 G 8.33 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.17 4.00 2.05 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 0.80 0.00 0.00 1.06 0.00 0.00 9 S 8.42 4.62 0.00 3.85 3.89 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 10 L 7.18 4.91 0.00 1.53 1.76 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.75 4.43 0.00 1.93 1.88 0.00 3.36 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 12 P 0.00 4.88 0.00 2.04 2.34 0.00 3.74 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 2.08 2.36 0.00 13 I 8.72 3.88 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.46 1.02 0.00 0.00 14 G 7.99 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 15 A 7.54 4.86 1.33 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 0.00 0.00 0.00 16 S 8.59 4.82 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.01 5.13 0.00 2.84 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 18 R 8.48 4.37 0.00 1.78 1.89 0.00 3.57 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 19 D 7.67 4.67 0.00 2.63 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.90 4.51 0.00 2.74 2.79 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 21 S 8.88 4.15 0.00 3.81 3.94 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 22 E 8.57 4.11 0.00 2.22 2.01 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 2.33 2.43 0.00 23 C 7.80 5.01 0.00 3.13 3.01 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 24 I 8.69 3.55 1.93 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 1.55 0.79 1.16 0.00 0.00 25 T 7.90 4.20 4.14 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 0.00 0.00 0.00 0.78 0.00 0.00 26 R 7.89 4.33 0.00 1.91 1.99 0.00 3.11 0.00 0.00 3.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 27 L 7.57 4.53 0.00 1.55 1.63 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 C 9.81 4.56 0.00 3.06 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 29 R 8.84 4.06 0.00 1.89 1.95 0.00 3.54 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 30 K 9.17 3.95 0.00 1.92 1.84 0.00 2.07 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.40 7.81 31 R 8.04 3.96 0.00 2.02 2.00 0.00 3.12 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 32 R 7.76 5.02 0.00 1.96 1.76 0.00 3.17 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 33 C 8.62 5.08 0.00 3.28 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.54 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 35 L 8.29 4.25 0.00 1.64 1.56 1.11 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.34 4.47 0.00 3.83 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 37 V 7.15 4.40 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 0.80 0.00 0.00 0.94 0.00 0.00 38 A 7.55 4.34 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 39 Q 7.26 4.35 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 40 E 8.62 4.61 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00