NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6516 8.2227 120.3145 53.0051 41.0998 175.7864 2 H 3.8022 8.7660 118.1613 58.6593 29.4712 174.9214 3 Y 3.8830 8.8513 122.1240 61.0400 39.0249 177.4566 4 N 4.3619 8.9417 117.4821 56.0727 38.5298 176.6424 5 C 4.1400 8.4805 120.5457 59.8761 44.7491 175.9776 6 V 3.5390 7.7816 119.7761 65.9431 30.8591 178.0523 7 S 3.9754 7.7917 114.2811 61.2542 62.6558 176.1123 8 S 4.4577 7.5936 115.9648 58.7758 62.9254 175.0957 9 G 3.9174 7.9596 110.0165 44.8848 0.0000 173.5363 10 G 4.0495 7.7684 107.3432 45.0258 0.0000 173.2935 11 Q 4.8379 8.7805 117.8932 54.0860 32.4126 174.7379 12 C 5.0292 8.7126 120.1510 55.9304 39.4297 173.1289 13 L 5.0390 8.8745 124.1828 53.2687 44.8335 177.6498 14 Y 4.3704 9.2488 120.2517 59.6265 39.5874 176.0136 15 S 4.6916 7.5114 110.0048 58.1301 62.3342 176.5196 16 A 4.2168 8.7126 119.6079 51.3898 18.5195 178.3494 17 C 4.4074 8.6406 120.5980 56.0293 41.6049 172.3043 18 P 4.4669 0.0000 0.0000 61.7389 31.8044 175.2073 19 I 3.4571 7.8924 118.1128 63.0581 37.7642 175.8461 20 F 4.2555 8.6626 124.6231 57.5000 36.6593 174.0945 21 T 4.8764 7.6516 110.0618 59.7241 71.6238 173.4206 22 K 4.7083 8.0479 119.3661 54.8347 36.2948 175.2085 23 I 4.1195 8.2933 121.4380 61.7969 38.4672 175.8881 24 Q 4.4095 8.6062 127.1441 55.2303 28.8559 172.2684 25 G 3.8480 8.4474 106.5774 44.2275 0.0000 171.9545 26 T 4.9979 8.0081 108.6021 60.1744 72.2888 172.9893 27 C 4.6731 8.1901 117.9041 56.2033 41.2729 173.1946 28 Y 3.9134 8.5973 115.3097 60.5123 34.2673 170.5200 29 R 3.5377 8.9257 111.7179 57.4511 28.2696 178.2203 30 G 3.9452 8.2896 102.7950 45.7789 0.0000 174.8183 31 K 4.1671 7.9501 118.4240 57.5007 32.6910 176.4907 32 A 4.6083 7.7448 119.9900 49.6364 22.7761 175.2796 33 K 4.4599 8.7685 118.9680 55.6261 34.4427 175.3350 34 C 4.9704 8.6529 124.1109 55.7488 45.8535 171.5189 35 C 5.4161 9.2013 124.8617 55.0756 42.2958 174.1245 36 K 4.1909 9.1683 125.2547 56.6843 31.7758 175.6416 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 D 8.22 4.65 0.00 2.88 2.91 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 2 H 8.77 3.80 0.00 3.26 3.46 0.00 5.68 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 3 Y 8.85 3.88 0.00 3.14 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 4 N 8.94 4.36 0.00 2.90 2.87 0.00 0.00 6.75 8.39 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 5 C 8.48 4.14 0.00 2.96 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 6 V 7.78 3.54 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 0.88 0.00 0.00 0.90 0.00 0.00 7 S 7.79 3.98 0.00 3.85 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 8 S 7.59 4.46 0.00 3.89 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 9 G 7.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 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 11 Q 8.78 4.84 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 12 C 8.71 5.03 0.00 2.68 2.33 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 13 L 8.87 5.04 0.00 1.51 1.55 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.25 4.37 0.00 2.93 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 15 S 7.51 4.69 0.00 3.85 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 16 A 8.71 4.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.41 0.00 2.96 3.04 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 18 P 0.00 4.47 0.00 2.23 2.19 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 19 I 7.89 3.46 1.55 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.71 0.00 0.00 20 F 8.66 4.26 0.00 3.29 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.65 4.88 4.27 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 1.27 0.00 0.00 22 K 8.05 4.71 0.00 1.79 1.89 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.72 7.81 23 I 8.29 4.12 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.90 0.00 0.00 24 Q 8.61 4.41 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.36 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 25 G 8.45 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.01 5.00 4.27 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 1.17 0.00 0.00 27 C 8.19 4.67 0.00 1.92 2.15 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 0.00 28 Y 8.60 3.91 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 3.54 0.00 1.97 2.00 0.00 3.46 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 G 8.29 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.17 0.00 2.02 2.06 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.46 7.81 32 A 7.74 4.61 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.46 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.34 7.81 34 C 8.65 4.97 0.00 2.91 2.85 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 0.00 0.00 0.00 35 C 9.20 5.42 0.00 2.84 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 36 K 9.17 4.19 0.00 1.64 1.58 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.37 7.81