#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 s SER 2 N 0.00 -0.47 -0.29 1.61 0.15 -1.26 -5.14 113.70 108.30 1ue9 s SER 2 Ca 0.00 0.62 -0.10 0.00 0.70 0.00 0.00 55.95 57.17 1ue9 s SER 2 Cb 0.00 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1ue9 s SER 2 CO 0.00 -0.36 0.16 -0.55 1.20 0.00 0.00 173.24 173.69 1ue9 s SER 3 N -0.80 5.73 0.57 5.45 0.15 -1.26 -4.95 113.70 118.60 1ue9 s SER 3 Ca -0.03 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1ue9 s SER 3 Cb -0.01 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1ue9 s SER 3 CO 0.02 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1ue9 n GLY 4 N 5.02 -4.10 2.70 9.45 0.00 -1.26 -4.98 105.19 112.02 1ue9 n GLY 4 Ca -0.14 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1ue9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ue9 n SER 5 N -2.43 -2.76 -3.89 1.61 7.64 -1.26 -5.05 113.62 107.48 1ue9 n SER 5 Ca 0.00 -3.11 -0.39 0.00 1.01 0.00 0.00 58.87 56.38 1ue9 n SER 5 Cb 0.43 1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 65.16 1ue9 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ue9 n SER 6 N 2.06 5.62 -4.91 6.43 2.88 -1.26 -5.03 113.62 119.40 1ue9 n SER 6 Ca 0.13 -3.38 -0.27 0.00 -1.33 0.00 0.00 58.87 54.02 1ue9 n SER 6 Cb 0.60 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 1ue9 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ue9 s GLY 7 N -1.67 1.68 -0.16 0.46 0.00 -1.26 -5.07 107.32 101.30 1ue9 s GLY 7 Ca 0.33 -0.65 -0.20 0.00 0.00 0.00 0.00 44.72 44.20 1ue9 s GLY 7 CO 0.05 -0.54 0.57 -0.54 0.00 0.00 0.00 173.10 172.64 1ue9 s GLU 8 N -3.90 4.27 0.16 2.90 2.02 -1.26 -4.91 118.70 117.99 1ue9 s GLU 8 Ca 0.43 0.56 -0.12 0.00 0.02 0.00 0.00 54.97 55.86 1ue9 s GLU 8 Cb -0.10 -3.52 -0.07 0.00 0.10 0.00 0.00 34.13 30.54 1ue9 s GLU 8 CO 0.33 -0.08 0.53 0.42 0.02 0.00 0.00 175.26 176.49 1ue9 s ILE 9 N 1.37 4.91 -0.05 -1.63 -1.09 -1.26 0.14 121.20 123.59 1ue9 s ILE 9 Ca 0.28 0.66 0.02 0.00 -2.23 0.00 0.00 60.65 59.38 1ue9 s ILE 9 Cb -0.16 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1ue9 s ILE 9 CO 0.11 0.15 -0.11 0.00 -1.23 0.00 0.00 174.94 173.85 1ue9 s ALA 10 N -1.57 1.14 -0.27 9.38 0.00 0.25 -2.23 121.76 128.46 1ue9 s ALA 10 Ca 0.40 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.84 1ue9 s ALA 10 Cb -0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1ue9 s ALA 10 CO 0.20 0.13 0.31 -1.14 0.00 0.00 0.00 175.76 175.26 1ue9 s GLN 11 N 0.50 4.00 0.24 0.00 0.74 -0.18 -2.13 119.66 122.83 1ue9 s GLN 11 Ca -0.10 -0.08 -0.31 0.00 0.05 0.00 0.00 55.36 54.91 1ue9 s GLN 11 Cb -0.13 -3.65 -0.13 0.00 1.10 0.00 0.00 33.01 30.19 1ue9 s GLN 11 CO 0.02 -0.24 1.52 0.28 -0.55 0.00 0.00 175.29 176.33 1ue9 n VAL 12 N 5.08 0.72 0.13 1.34 0.31 -1.21 -0.54 118.33 124.16 1ue9 n VAL 12 Ca -0.10 -0.18 0.01 0.00 -0.01 0.00 0.00 64.34 64.06 1ue9 n VAL 12 Cb 0.51 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 1ue9 n VAL 12 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ue9 n THR 13 N 2.42 0.00 -3.67 2.52 -2.24 0.37 -4.08 114.28 109.61 1ue9 n THR 13 Ca 0.12 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1ue9 n THR 13 Cb 0.33 0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1ue9 n THR 13 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ue9 s SER 14 N -1.37 -0.71 0.44 3.42 0.01 -0.14 -4.98 113.70 110.36 1ue9 s SER 14 Ca 0.01 1.20 -0.25 0.00 1.31 0.00 0.00 55.95 58.22 1ue9 s SER 14 Cb 0.02 1.10 -0.08 0.00 0.21 0.00 0.00 66.02 67.27 1ue9 s SER 14 CO 0.13 -0.21 1.33 0.00 0.41 0.00 0.00 173.24 174.89 1ue9 s ALA 15 N 1.30 3.18 0.09 1.44 0.00 -1.26 -4.64 121.76 121.87 1ue9 s ALA 15 Ca -0.08 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1ue9 s ALA 15 Cb -0.06 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1ue9 s ALA 15 CO -0.13 -0.96 -0.10 -0.47 0.00 0.00 0.00 175.76 174.09 1ue9 s TYR 16 N -1.27 1.05 -0.31 0.00 5.04 0.26 -4.96 117.35 117.15 1ue9 s TYR 16 Ca 0.60 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 54.63 1ue9 s TYR 16 Cb -0.39 -0.58 0.10 0.00 0.35 0.00 0.00 41.96 41.44 1ue9 s TYR 16 CO 0.49 0.00 0.07 0.08 -1.34 0.00 0.00 175.55 174.85 1ue9 s VAL 17 N -2.19 1.44 0.43 3.14 1.01 -1.26 -3.29 120.40 119.67 1ue9 s VAL 17 Ca 0.03 -1.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.03 1ue9 s VAL 17 Cb -0.04 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.20 1ue9 s VAL 17 CO 0.00 -0.59 1.45 0.00 0.00 0.00 0.00 175.10 175.96 1ue9 n ALA 18 N 4.62 2.13 -0.05 5.51 0.00 -1.26 -4.95 120.51 126.50 1ue9 n ALA 18 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1ue9 n ALA 18 Cb 0.42 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 1ue9 n ALA 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ue9 h SER 19 N 2.48 0.00 0.00 0.00 0.87 -1.96 -3.49 113.55 111.44 1ue9 h SER 19 Ca -0.51 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1ue9 h SER 19 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1ue9 h SER 19 CO 0.62 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 178.06 1ue9 n GLY 20 N 1.75 0.24 0.00 5.77 0.00 -1.26 -5.10 105.19 106.60 1ue9 n GLY 20 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ue9 n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ue9 n SER 21 N 0.00 0.00 -0.78 1.61 2.88 -1.26 -4.92 113.62 111.15 1ue9 n SER 21 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1ue9 n SER 21 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ue9 n SER 21 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ue9 n GLU 22 N 0.00 -0.90 -2.42 -1.46 2.13 -1.26 -4.88 120.64 111.84 1ue9 n GLU 22 Ca 0.00 0.82 -0.27 0.00 0.66 0.00 0.00 57.16 58.37 1ue9 n GLU 22 Cb 0.00 -4.82 0.02 0.00 0.27 0.00 0.00 31.44 26.91 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ue9 s GLN 23 N -2.72 3.16 -0.05 5.31 -0.21 -1.26 0.19 119.66 124.08 1ue9 s GLN 23 Ca 0.00 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.53 1ue9 s GLN 23 Cb 0.00 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.73 1ue9 s GLN 23 CO 0.00 -0.54 -0.12 -1.17 -2.12 0.00 0.00 175.29 171.34 1ue9 s LEU 24 N -4.93 1.70 0.19 2.90 2.96 -0.73 -4.26 118.68 116.51 1ue9 s LEU 24 Ca 0.52 -0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 1ue9 s LEU 24 Cb -0.10 -0.75 -0.08 0.00 0.50 0.00 0.00 46.19 45.76 1ue9 s LEU 24 CO 0.46 0.05 1.06 -0.94 -1.32 0.00 0.00 176.35 175.66 1ue9 s SER 25 N 0.46 7.36 0.05 3.68 1.04 -1.26 -4.52 113.70 120.51 1ue9 s SER 25 Ca -0.10 2.06 0.05 0.00 0.48 0.00 0.00 55.95 58.44 1ue9 s SER 25 Cb -0.13 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 1ue9 s SER 25 CO 0.02 -0.13 -0.08 -0.76 0.98 0.00 0.00 173.24 173.28 1ue9 s LEU 26 N -0.62 3.11 0.00 2.42 1.43 -1.21 -4.97 118.68 118.85 1ue9 s LEU 26 Ca 0.47 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1ue9 s LEU 26 Cb -0.28 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1ue9 s LEU 26 CO 0.35 0.24 -0.10 0.00 0.23 0.00 0.00 176.35 177.06 1ue9 s ALA 27 N -1.09 0.85 -0.29 4.21 0.00 -1.26 -0.57 121.76 123.60 1ue9 s ALA 27 Ca 0.19 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1ue9 s ALA 27 Cb -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 1ue9 s ALA 27 CO 0.10 0.18 1.35 -1.25 0.00 0.00 0.00 175.76 176.15 1ue9 s PRO 28 N -0.49 3.88 0.00 0.00 0.04 -1.26 -2.87 135.00 134.30 1ue9 s PRO 28 Ca 0.02 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1ue9 s PRO 28 Cb -0.05 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1ue9 s PRO 28 CO -0.00 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1ue9 n GLY 29 N 4.40 1.50 3.79 0.56 0.00 -1.26 -5.03 105.19 109.14 1ue9 n GLY 29 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ue9 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ue9 s GLN 30 N -0.04 2.21 -0.01 1.61 -0.21 -1.14 -5.04 119.66 117.05 1ue9 s GLN 30 Ca 0.00 -2.37 0.03 0.00 0.02 0.00 0.00 55.36 53.04 1ue9 s GLN 30 Cb 0.00 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.41 1ue9 s GLN 30 CO 0.00 -0.41 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.16 1ue9 s LEU 31 N -3.94 1.93 -0.00 2.90 1.43 -1.26 -3.35 118.68 116.39 1ue9 s LEU 31 Ca 0.08 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1ue9 s LEU 31 Cb 0.01 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1ue9 s LEU 31 CO 0.04 0.09 -0.07 -0.63 0.23 0.00 0.00 176.35 176.02 1ue9 s ILE 32 N -0.06 0.54 -0.16 -0.59 1.01 -0.90 0.17 121.20 121.21 1ue9 s ILE 32 Ca 0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 1ue9 s ILE 32 Cb -0.05 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1ue9 s ILE 32 CO -0.00 0.15 0.34 -0.22 0.00 0.00 0.00 174.94 175.21 1ue9 s LEU 33 N -0.17 4.24 -0.31 2.97 1.98 0.21 -0.58 118.68 127.02 1ue9 s LEU 33 Ca 0.03 0.57 -0.29 0.00 -2.89 0.00 0.00 54.13 51.55 1ue9 s LEU 33 Cb -0.03 -2.46 0.01 0.00 0.66 0.00 0.00 46.19 44.38 1ue9 s LEU 33 CO -0.00 0.06 1.11 -0.63 -1.89 0.00 0.00 176.35 175.00 1ue9 s ILE 34 N 0.58 4.46 -0.19 6.68 -1.09 0.12 -0.31 121.20 131.45 1ue9 s ILE 34 Ca 0.19 1.68 -0.14 0.00 -2.23 0.00 0.00 60.65 60.15 1ue9 s ILE 34 Cb -0.14 -4.37 -0.08 0.00 -1.58 0.00 0.00 42.46 36.29 1ue9 s ILE 34 CO 0.06 -0.47 -0.30 0.18 -1.23 0.00 0.00 174.94 173.17 1ue9 n LEU 35 N 6.95 1.75 -4.26 2.97 4.77 -0.46 -4.12 117.00 124.59 1ue9 n LEU 35 Ca 0.12 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 56.20 1ue9 n LEU 35 Cb 0.47 -0.69 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1ue9 n LEU 35 CO 0.59 0.10 -0.47 -0.75 -1.33 0.00 0.00 177.39 175.54 1ue9 s LYS 36 N -2.60 1.08 0.33 3.23 2.20 0.30 -4.99 119.74 119.30 1ue9 s LYS 36 Ca -0.29 -1.24 0.05 0.00 -0.36 0.00 0.00 55.97 54.13 1ue9 s LYS 36 Cb 0.08 -1.07 -0.07 0.00 -1.51 0.00 0.00 37.83 35.26 1ue9 s LYS 36 CO 0.39 0.22 0.03 0.15 -0.36 0.00 0.00 175.35 175.78 1ue9 s LYS 37 N -2.49 1.69 0.01 4.03 1.02 -1.26 0.81 119.74 123.56 1ue9 s LYS 37 Ca 0.09 -1.93 -0.05 0.00 0.02 0.00 0.00 55.97 54.10 1ue9 s LYS 37 Cb -0.06 -1.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1ue9 s LYS 37 CO 0.04 -0.12 0.09 1.21 -0.92 0.00 0.00 175.35 175.65 1ue9 s ASN 38 N -3.52 0.09 -0.49 2.83 2.47 -1.08 -4.87 114.94 110.37 1ue9 s ASN 38 Ca 0.35 -0.31 -0.06 0.00 0.42 0.00 0.00 52.86 53.26 1ue9 s ASN 38 Cb 0.08 0.18 -0.12 0.00 -1.45 0.00 0.00 41.25 39.94 1ue9 s ASN 38 CO 0.15 -0.37 3.19 1.07 -3.72 0.00 0.00 177.10 177.42 1ue9 n THR 39 N 1.41 3.49 0.00 -5.21 5.66 -1.26 -3.51 114.28 114.86 1ue9 n THR 39 Ca -0.23 -2.33 0.00 0.00 -3.05 0.00 0.00 64.05 58.45 1ue9 n THR 39 Cb 0.56 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.35 1ue9 n THR 39 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ue9 n SER 40 N 2.15 0.00 0.00 1.09 2.88 -1.26 -5.04 113.62 113.44 1ue9 n SER 40 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1ue9 n SER 40 Cb 0.65 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 41 N 0.36 0.58 3.69 0.46 0.00 -1.23 -5.07 105.19 103.99 1ue9 n GLY 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ue9 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 42 N 0.00 3.52 -0.02 1.61 0.52 -1.26 -0.43 118.94 122.89 1ue9 s TRP 42 Ca 0.00 1.59 0.06 0.00 0.02 0.00 0.00 56.10 57.77 1ue9 s TRP 42 Cb 0.00 -3.19 -0.02 0.00 -1.15 0.00 0.00 33.47 29.10 1ue9 s TRP 42 CO 0.00 -0.27 -0.21 -1.58 0.02 0.00 0.00 176.95 174.91 1ue9 s TRP 43 N 1.76 2.49 -0.61 -1.98 0.51 0.51 -2.64 118.94 118.98 1ue9 s TRP 43 Ca 0.50 -0.32 -0.11 0.00 -2.12 0.00 0.00 56.10 54.06 1ue9 s TRP 43 Cb -0.20 -1.53 0.16 0.00 -0.81 0.00 0.00 33.47 31.09 1ue9 s TRP 43 CO 0.21 0.09 0.51 -1.14 -0.51 0.00 0.00 176.95 176.11 1ue9 s GLN 44 N -0.82 2.90 0.14 4.98 0.74 0.24 -0.36 119.66 127.48 1ue9 s GLN 44 Ca 0.11 -2.08 0.01 0.00 0.05 0.00 0.00 55.36 53.45 1ue9 s GLN 44 Cb -0.10 -4.10 -0.00 0.00 1.10 0.00 0.00 33.01 29.90 1ue9 s GLN 44 CO 0.01 -1.24 0.04 0.41 -0.55 0.00 0.00 175.29 173.95 1ue9 n GLY 45 N 4.47 3.87 2.96 2.59 0.00 -1.13 0.11 105.19 118.05 1ue9 n GLY 45 Ca -0.00 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 1ue9 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ue9 s GLU 46 N -2.52 1.00 0.30 1.61 2.12 0.58 -2.83 118.70 118.96 1ue9 s GLU 46 Ca 0.05 -0.24 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 1ue9 s GLU 46 Cb 0.00 -0.93 -0.10 0.00 0.26 0.00 0.00 34.13 33.36 1ue9 s GLU 46 CO 0.04 0.03 1.39 -1.17 -0.54 0.00 0.00 175.26 175.00 1ue9 s LEU 47 N 0.51 4.40 -0.89 2.70 2.96 0.15 0.66 118.68 129.17 1ue9 s LEU 47 Ca -0.08 2.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.56 1ue9 s LEU 47 Cb -0.12 -3.64 0.32 0.00 0.50 0.00 0.00 46.19 43.26 1ue9 s LEU 47 CO 0.01 -0.65 1.53 0.00 -1.32 0.00 0.00 176.35 175.92 1ue9 n GLN 48 N 1.43 4.70 -4.01 1.98 1.13 0.45 -4.58 117.38 118.48 1ue9 n GLN 48 Ca 0.03 -4.73 -0.13 0.00 -1.94 0.00 0.00 57.00 50.23 1ue9 n GLN 48 Cb 0.41 -2.40 -0.13 0.00 0.11 0.00 0.00 30.24 28.23 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 s ALA 49 N -3.99 0.25 -0.13 -1.58 0.00 -1.26 -4.65 121.76 110.40 1ue9 s ALA 49 Ca 0.42 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1ue9 s ALA 49 Cb 0.21 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1ue9 s ALA 49 CO -0.12 0.01 1.87 1.03 0.00 0.00 0.00 175.76 178.55 1ue9 s ARG 50 N -0.48 3.76 0.00 0.00 0.52 -1.26 -4.90 118.95 116.59 1ue9 s ARG 50 Ca -0.03 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 1ue9 s ARG 50 Cb -0.04 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.28 1ue9 s ARG 50 CO -0.00 -1.36 0.00 0.41 0.02 0.00 0.00 175.30 174.36 1ue9 n GLY 51 N 4.86 4.35 0.07 -3.53 0.00 -1.26 -5.09 105.19 104.58 1ue9 n GLY 51 Ca 0.22 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 1ue9 n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ue9 h LYS 52 N 0.00 0.00 -5.00 1.61 3.11 -2.05 -3.46 116.57 110.78 1ue9 h LYS 52 Ca 0.00 0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 57.18 1ue9 h LYS 52 Cb 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 32.23 30.93 1ue9 h LYS 52 CO 0.00 0.02 -0.76 0.15 -2.81 0.00 0.00 179.45 176.05 1ue9 s LYS 53 N -2.14 3.20 -0.78 1.90 -0.14 -1.26 -5.03 119.74 115.48 1ue9 s LYS 53 Ca -0.13 -0.73 -0.29 0.00 -1.36 0.00 0.00 55.97 53.47 1ue9 s LYS 53 Cb 0.02 -2.88 -0.16 0.00 -1.68 0.00 0.00 37.83 33.13 1ue9 s LYS 53 CO 0.20 -0.23 2.58 0.54 -0.76 0.00 0.00 175.35 177.67 1ue9 n ARG 54 N 4.73 0.44 -1.64 1.68 1.74 -1.26 -4.77 116.66 117.58 1ue9 n ARG 54 Ca -0.19 -0.01 -0.50 0.00 -0.77 0.00 0.00 57.85 56.38 1ue9 n ARG 54 Cb 0.50 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.46 29.55 1ue9 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ue9 n GLN 55 N 8.70 1.75 -3.69 5.56 3.00 -1.26 -4.85 117.38 126.58 1ue9 n GLN 55 Ca 0.54 0.61 -0.11 0.00 -0.01 0.00 0.00 57.00 58.03 1ue9 n GLN 55 Cb 0.25 -2.53 -0.11 0.00 0.00 0.00 0.00 30.24 27.85 1ue9 n GLN 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ue9 s LYS 56 N 4.52 0.32 0.00 -1.09 2.36 -1.26 0.32 119.74 124.91 1ue9 s LYS 56 Ca 0.98 0.76 0.00 0.00 -2.55 0.00 0.00 55.97 55.16 1ue9 s LYS 56 Cb -0.78 0.00 0.00 0.00 -1.05 0.00 0.00 37.83 36.00 1ue9 s LYS 56 CO 0.53 -0.18 0.00 0.41 1.55 0.00 0.00 175.35 177.66 1ue9 n GLY 57 N 4.49 0.58 3.59 5.54 0.00 -1.13 -4.76 105.19 113.50 1ue9 n GLY 57 Ca -0.21 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1ue9 n GLY 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 58 N -2.15 3.22 0.13 1.61 0.52 0.50 -2.86 118.94 119.90 1ue9 s TRP 58 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.26 1ue9 s TRP 58 Cb 0.00 -2.37 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1ue9 s TRP 58 CO 0.00 -0.15 -0.10 -0.59 0.02 0.00 0.00 176.95 176.13 1ue9 s PHE 59 N 1.70 1.16 0.10 -1.98 -0.12 0.52 -1.77 117.98 117.59 1ue9 s PHE 59 Ca 0.07 -0.75 -0.30 0.00 -0.05 0.00 0.00 56.93 55.90 1ue9 s PHE 59 Cb -0.16 -0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 41.56 1ue9 s PHE 59 CO 0.10 0.03 1.15 -1.25 -0.05 0.00 0.00 175.22 175.20 1ue9 s PRO 60 N -3.49 4.50 0.31 1.99 0.04 -1.26 0.19 135.00 137.28 1ue9 s PRO 60 Ca 0.13 1.73 0.26 0.00 0.04 0.00 0.00 61.00 63.15 1ue9 s PRO 60 Cb 0.01 -3.33 1.02 0.00 0.04 0.00 0.00 34.50 32.25 1ue9 s PRO 60 CO -0.00 -0.12 1.77 0.00 0.04 0.00 0.00 177.00 178.69 1ue9 h ALA 61 N 6.13 1.00 0.00 8.56 0.00 -1.08 -2.28 119.26 131.59 1ue9 h ALA 61 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1ue9 h ALA 61 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ue9 h ALA 61 CO 0.77 0.00 -0.14 1.03 0.00 0.00 0.00 179.25 180.91 1ue9 h SER 62 N 0.00 0.00 0.91 0.00 0.87 -1.91 -1.14 113.55 112.28 1ue9 h SER 62 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ue9 h SER 62 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ue9 h SER 62 CO 0.00 0.14 -0.40 1.41 -0.53 0.00 0.00 176.83 177.45 1ue9 n HIS 63 N -3.42 0.42 -4.65 2.24 -0.00 -0.86 -4.77 115.22 104.18 1ue9 n HIS 63 Ca -0.01 0.12 -0.29 0.00 -0.00 0.00 0.00 57.72 57.54 1ue9 n HIS 63 Cb 0.32 -0.59 -0.09 0.00 -0.00 0.00 0.00 29.99 29.63 1ue9 n HIS 63 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1ue9 s VAL 64 N -3.09 1.23 -0.08 1.59 -7.23 -0.43 0.14 120.40 112.53 1ue9 s VAL 64 Ca 0.09 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1ue9 s VAL 64 Cb 0.15 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.69 1ue9 s VAL 64 CO 0.67 0.00 0.15 -0.75 -0.31 0.00 0.00 175.10 174.86 1ue9 s LYS 65 N -3.81 0.04 0.26 4.82 2.20 0.30 -4.70 119.74 118.85 1ue9 s LYS 65 Ca 0.19 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 56.00 1ue9 s LYS 65 Cb 0.04 -0.26 -0.12 0.00 -1.51 0.00 0.00 37.83 35.99 1ue9 s LYS 65 CO 0.10 -0.27 1.66 1.28 -0.36 0.00 0.00 175.35 177.75 1ue9 n LEU 66 N 5.06 4.27 -1.28 5.43 4.77 -1.26 -1.01 117.00 132.99 1ue9 n LEU 66 Ca -0.10 1.11 0.06 0.00 -0.03 0.00 0.00 56.01 57.06 1ue9 n LEU 66 Cb 0.50 -1.59 0.26 0.00 -2.33 0.00 0.00 43.42 40.26 1ue9 n LEU 66 CO 0.08 0.19 0.69 0.18 -1.33 0.00 0.00 177.39 177.20 1ue9 n LEU 67 N 2.88 3.73 0.00 2.23 4.77 -0.94 -4.90 117.00 124.77 1ue9 n LEU 67 Ca 0.11 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 1ue9 n LEU 67 Cb 0.36 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1ue9 n LEU 67 CO 0.64 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 1ue9 n GLY 68 N 0.79 1.01 3.70 -0.72 0.00 -1.26 -4.25 105.19 104.45 1ue9 n GLY 68 Ca 0.19 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1ue9 n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 69 N 0.00 4.38 0.05 1.61 0.04 -1.26 -4.79 135.00 135.03 1ue9 s PRO 69 Ca 0.00 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 1ue9 s PRO 69 Cb 0.00 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 1ue9 s PRO 69 CO 0.00 -0.39 -0.05 0.45 0.04 0.00 0.00 177.00 177.05 1ue9 n SER 70 N 4.82 1.20 -1.42 6.66 2.88 -1.26 -5.14 113.62 121.36 1ue9 n SER 70 Ca 0.10 0.16 0.18 0.00 -1.33 0.00 0.00 58.87 57.99 1ue9 n SER 70 Cb 0.46 -0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 1ue9 n SER 70 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ue9 n SER 71 N -3.62 -8.37 -2.14 -3.46 7.64 -1.26 -5.01 113.62 97.40 1ue9 n SER 71 Ca -0.02 0.92 -0.03 0.00 1.01 0.00 0.00 58.87 60.74 1ue9 n SER 71 Cb 0.10 -4.53 -0.02 0.00 -1.01 0.00 0.00 64.21 58.74 1ue9 n SER 71 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ue9 n GLU 72 N -4.20 -3.21 -1.16 1.43 1.02 -1.26 -4.98 120.64 108.28 1ue9 n GLU 72 Ca -0.03 2.55 -0.31 0.00 -0.02 0.00 0.00 57.16 59.36 1ue9 n GLU 72 Cb 0.68 -3.62 0.11 0.00 -0.02 0.00 0.00 31.44 28.59 1ue9 n GLU 72 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ue9 s ARG 73 N -0.87 1.85 0.03 3.49 0.52 -1.26 -5.06 118.95 117.65 1ue9 s ARG 73 Ca -0.14 1.15 -0.00 0.00 -0.52 0.00 0.00 55.73 56.22 1ue9 s ARG 73 Cb 0.01 -1.85 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 1ue9 s ARG 73 CO 0.39 -1.92 -0.03 0.00 0.02 0.00 0.00 175.30 173.75 1ue9 s ALA 74 N -2.87 0.23 0.00 2.13 0.00 -1.26 -4.92 121.76 115.07 1ue9 s ALA 74 Ca 0.62 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1ue9 s ALA 74 Cb -0.18 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1ue9 s ALA 74 CO 0.57 -0.22 0.00 0.45 0.00 0.00 0.00 175.76 176.55 1ue9 n SER 75 N 1.15 0.00 0.00 0.00 2.88 -1.26 -4.52 113.62 111.87 1ue9 n SER 75 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1ue9 n SER 75 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1ue9 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 76 N 0.00 2.99 3.71 0.46 0.00 -1.26 -5.09 105.19 106.00 1ue9 n GLY 76 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1ue9 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 77 N -3.39 4.43 0.07 1.61 0.04 -1.26 -5.02 135.00 131.48 1ue9 s PRO 77 Ca 0.00 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 1ue9 s PRO 77 Cb 0.00 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1ue9 s PRO 77 CO 0.00 -0.27 0.37 -1.54 0.04 0.00 0.00 177.00 175.60 1ue9 s SER 78 N 1.13 -0.21 0.19 6.66 1.04 -1.26 -5.17 113.70 116.08 1ue9 s SER 78 Ca 0.58 -0.19 0.11 0.00 0.48 0.00 0.00 55.95 56.93 1ue9 s SER 78 Cb -0.28 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1ue9 s SER 78 CO 0.28 -0.72 -0.24 -0.55 0.98 0.00 0.00 173.24 172.99 1ue9 s SER 79 N -2.33 3.40 0.00 7.02 0.15 -1.26 -5.32 113.70 115.36 1ue9 s SER 79 Ca -0.02 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1ue9 s SER 79 Cb 0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1ue9 s SER 79 CO -0.06 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.10