#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 n SER 2 N 0.00 0.31 -4.05 1.61 7.64 -1.26 -5.02 113.62 112.86 1ue9 n SER 2 Ca 0.00 0.07 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 1ue9 n SER 2 Cb 0.00 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 1ue9 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ue9 s SER 3 N -5.29 3.90 -0.09 6.43 0.01 -1.26 -5.11 113.70 112.30 1ue9 s SER 3 Ca 0.00 -1.12 -0.14 0.00 1.31 0.00 0.00 55.95 56.00 1ue9 s SER 3 Cb 0.00 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 1ue9 s SER 3 CO 0.00 -0.15 0.33 -0.83 0.41 0.00 0.00 173.24 173.00 1ue9 s GLY 4 N 1.24 2.32 0.00 3.44 0.00 -1.26 -4.60 107.32 108.47 1ue9 s GLY 4 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1ue9 s GLY 4 CO -0.07 0.23 0.00 1.44 0.00 0.00 0.00 173.10 174.70 1ue9 n SER 5 N 2.67 0.00 -0.26 1.64 7.64 -1.26 -4.86 113.62 119.19 1ue9 n SER 5 Ca -0.13 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.78 1ue9 n SER 5 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.02 -1.53 0.00 6.43 2.88 -1.26 -5.11 113.62 117.05 1ue9 n SER 6 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ue9 n SER 6 Cb 0.00 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1ue9 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 7 N -2.67 0.97 3.65 0.46 0.00 -1.26 -5.11 105.19 101.23 1ue9 n GLY 7 Ca -0.01 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1ue9 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ue9 s GLU 8 N -2.00 4.09 -0.07 1.61 2.02 -1.26 -4.93 118.70 118.16 1ue9 s GLU 8 Ca 0.00 1.82 -0.04 0.00 0.02 0.00 0.00 54.97 56.77 1ue9 s GLU 8 Cb 0.00 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1ue9 s GLU 8 CO 0.00 -0.93 0.11 0.42 0.02 0.00 0.00 175.26 174.88 1ue9 s ILE 9 N 4.17 5.11 -0.04 -1.63 -1.09 -1.26 -1.20 121.20 125.26 1ue9 s ILE 9 Ca 0.66 -0.06 0.04 0.00 -2.23 0.00 0.00 60.65 59.05 1ue9 s ILE 9 Cb -0.26 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1ue9 s ILE 9 CO 0.24 0.52 -0.14 0.00 -1.23 0.00 0.00 174.94 174.32 1ue9 s ALA 10 N -1.08 1.33 -0.35 9.38 0.00 -1.15 -2.56 121.76 127.34 1ue9 s ALA 10 Ca 0.18 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 1ue9 s ALA 10 Cb -0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1ue9 s ALA 10 CO 0.08 0.22 0.39 -1.14 0.00 0.00 0.00 175.76 175.31 1ue9 s GLN 11 N 0.17 3.55 0.28 0.00 0.74 0.14 -3.26 119.66 121.29 1ue9 s GLN 11 Ca -0.05 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.67 1ue9 s GLN 11 Cb -0.11 -3.81 -0.12 0.00 1.10 0.00 0.00 33.01 30.06 1ue9 s GLN 11 CO 0.02 -0.56 1.53 0.28 -0.55 0.00 0.00 175.29 176.01 1ue9 n VAL 12 N 5.28 1.05 -0.01 1.34 0.31 -1.23 -0.67 118.33 124.40 1ue9 n VAL 12 Ca -0.08 -0.26 -0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1ue9 n VAL 12 Cb 0.49 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.98 0.18 -4.33 2.52 -2.24 0.24 -3.75 114.28 108.88 1ue9 n THR 13 Ca 0.09 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 1ue9 n THR 13 Cb 0.35 -0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.01 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 -3.16 1.01 0.37 3.42 0.01 -0.02 -4.82 113.70 110.52 1ue9 s SER 14 Ca -0.02 -0.16 -0.26 0.00 1.31 0.00 0.00 55.95 56.82 1ue9 s SER 14 Cb 0.02 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 1ue9 s SER 14 CO 0.18 0.08 1.20 0.00 0.41 0.00 0.00 173.24 175.11 1ue9 s ALA 15 N -0.01 3.26 -0.09 1.44 0.00 -1.26 -4.44 121.76 120.66 1ue9 s ALA 15 Ca 0.00 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1ue9 s ALA 15 Cb -0.05 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1ue9 s ALA 15 CO -0.00 -0.54 0.21 -0.47 0.00 0.00 0.00 175.76 174.96 1ue9 s TYR 16 N -1.31 -0.28 -0.47 0.00 5.04 0.36 -4.91 117.35 115.78 1ue9 s TYR 16 Ca 0.54 0.69 -0.03 0.00 -2.44 0.00 0.00 57.07 55.82 1ue9 s TYR 16 Cb -0.33 0.01 0.12 0.00 0.35 0.00 0.00 41.96 42.11 1ue9 s TYR 16 CO 0.43 -0.21 0.27 0.54 -1.34 0.00 0.00 175.55 175.24 1ue9 s VAL 17 N 1.21 3.44 1.07 3.14 0.11 -1.26 0.22 120.40 128.33 1ue9 s VAL 17 Ca -0.09 -2.27 -0.18 0.00 -2.93 0.00 0.00 61.98 56.51 1ue9 s VAL 17 Cb -0.11 -3.33 0.06 0.00 -1.53 0.00 0.00 36.38 31.48 1ue9 s VAL 17 CO -0.08 -0.74 -0.03 0.00 -3.33 0.00 0.00 175.10 170.92 1ue9 n ALA 18 N 4.33 -3.96 0.00 1.54 0.00 -1.26 -4.94 120.51 116.22 1ue9 n ALA 18 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1ue9 n ALA 18 Cb 0.40 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1ue9 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ue9 n SER 19 N -1.14 2.00 0.00 0.00 2.88 -1.26 -4.90 113.62 111.20 1ue9 n SER 19 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ue9 n SER 19 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1ue9 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 20 N 2.88 1.90 4.26 0.46 0.00 -1.26 -4.99 105.19 108.43 1ue9 n GLY 20 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1ue9 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ue9 n SER 21 N 0.00 -0.14 -4.12 1.61 7.64 -1.26 0.21 113.62 117.57 1ue9 n SER 21 Ca 0.00 -1.27 -0.35 0.00 1.01 0.00 0.00 58.87 58.26 1ue9 n SER 21 Cb 0.00 -1.57 -0.05 0.00 -1.01 0.00 0.00 64.21 61.58 1ue9 n SER 21 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ue9 n GLU 22 N -4.67 -1.99 -1.85 1.43 2.13 -1.26 -4.67 120.64 109.76 1ue9 n GLU 22 Ca -0.28 0.23 -0.29 0.00 0.66 0.00 0.00 57.16 57.48 1ue9 n GLU 22 Cb 0.66 -4.87 0.14 0.00 0.27 0.00 0.00 31.44 27.64 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 -6.79 1.21 -0.04 5.31 -0.21 0.58 0.13 119.66 119.85 1ue9 s GLN 23 Ca 0.68 -0.10 -0.01 0.00 0.02 0.00 0.00 55.36 55.94 1ue9 s GLN 23 Cb -0.39 -1.88 0.03 0.00 1.00 0.00 0.00 33.01 31.77 1ue9 s GLN 23 CO 0.84 -2.07 0.09 -1.17 -2.12 0.00 0.00 175.29 170.85 1ue9 s LEU 24 N -5.80 0.87 0.31 2.90 2.96 0.44 -4.00 118.68 116.35 1ue9 s LEU 24 Ca 0.68 0.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.47 1ue9 s LEU 24 Cb -0.08 0.14 -0.09 0.00 0.50 0.00 0.00 46.19 46.65 1ue9 s LEU 24 CO 0.51 -0.14 1.08 -0.44 -1.32 0.00 0.00 176.35 176.04 1ue9 s SER 25 N 1.17 7.13 0.17 3.68 0.01 -1.26 -4.37 113.70 120.23 1ue9 s SER 25 Ca -0.09 2.19 0.10 0.00 1.31 0.00 0.00 55.95 59.47 1ue9 s SER 25 Cb -0.12 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1ue9 s SER 25 CO -0.04 -0.23 -0.17 -0.76 0.41 0.00 0.00 173.24 172.45 1ue9 s LEU 26 N -1.77 2.72 0.01 2.44 1.43 0.60 -4.91 118.68 119.20 1ue9 s LEU 26 Ca 0.48 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1ue9 s LEU 26 Cb -0.29 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1ue9 s LEU 26 CO 0.37 0.13 -0.02 0.00 0.23 0.00 0.00 176.35 177.06 1ue9 s ALA 27 N -1.53 0.16 -0.35 4.21 0.00 -1.26 0.13 121.76 123.12 1ue9 s ALA 27 Ca 0.22 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1ue9 s ALA 27 Cb -0.09 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1ue9 s ALA 27 CO 0.12 -0.03 1.38 -1.25 0.00 0.00 0.00 175.76 175.98 1ue9 s PRO 28 N -0.58 3.73 0.00 0.00 0.04 -1.26 -2.77 135.00 134.16 1ue9 s PRO 28 Ca -0.05 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1ue9 s PRO 28 Cb -0.04 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1ue9 s PRO 28 CO -0.00 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1ue9 n GLY 29 N 4.74 1.55 3.80 0.56 0.00 -1.25 -5.03 105.19 109.56 1ue9 n GLY 29 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.09 2.22 -0.01 1.61 -0.21 -1.12 -5.04 119.66 117.02 1ue9 s GLN 30 Ca 0.00 -2.08 0.03 0.00 0.02 0.00 0.00 55.36 53.34 1ue9 s GLN 30 Cb 0.00 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.12 1ue9 s GLN 30 CO 0.00 -0.36 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.19 1ue9 s LEU 31 N -4.02 1.99 0.09 2.90 1.43 -1.26 -3.52 118.68 116.29 1ue9 s LEU 31 Ca 0.28 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1ue9 s LEU 31 Cb 0.01 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1ue9 s LEU 31 CO 0.16 0.13 -0.13 -0.63 0.23 0.00 0.00 176.35 176.12 1ue9 s ILE 32 N -0.21 1.08 -0.28 -0.59 1.01 -1.20 0.19 121.20 121.20 1ue9 s ILE 32 Ca 0.03 -1.49 -0.05 0.00 0.00 0.00 0.00 60.65 59.15 1ue9 s ILE 32 Cb -0.05 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1ue9 s ILE 32 CO -0.00 -0.37 0.03 -0.22 0.00 0.00 0.00 174.94 174.37 1ue9 s LEU 33 N -2.11 3.67 0.11 2.97 0.20 0.63 -2.93 118.68 121.24 1ue9 s LEU 33 Ca 0.02 -0.86 -0.31 0.00 0.69 0.00 0.00 54.13 53.67 1ue9 s LEU 33 Cb -0.07 -1.79 -0.09 0.00 -0.43 0.00 0.00 46.19 43.81 1ue9 s LEU 33 CO 0.02 -0.19 1.64 -0.63 -0.29 0.00 0.00 176.35 176.90 1ue9 s ILE 34 N 1.41 2.83 -0.08 6.68 -1.09 -0.34 -0.53 121.20 130.08 1ue9 s ILE 34 Ca 0.01 0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 58.82 1ue9 s ILE 34 Cb -0.17 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1ue9 s ILE 34 CO -0.00 0.01 -0.10 0.18 -1.23 0.00 0.00 174.94 173.80 1ue9 n LEU 35 N 5.02 0.72 -4.20 2.97 4.77 0.15 -4.49 117.00 121.94 1ue9 n LEU 35 Ca 0.15 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1ue9 n LEU 35 Cb 0.39 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1ue9 n LEU 35 CO 0.63 0.19 -0.40 -0.75 -1.33 0.00 0.00 177.39 175.73 1ue9 s LYS 36 N -2.14 0.91 0.02 3.23 2.36 0.49 -4.98 119.74 119.63 1ue9 s LYS 36 Ca -0.11 -1.34 0.04 0.00 -2.55 0.00 0.00 55.97 52.02 1ue9 s LYS 36 Cb 0.04 -0.39 -0.02 0.00 -1.05 0.00 0.00 37.83 36.41 1ue9 s LYS 36 CO 0.14 0.03 -0.12 0.15 1.55 0.00 0.00 175.35 177.10 1ue9 s LYS 37 N -3.61 0.85 0.00 4.03 1.02 -1.26 0.78 119.74 121.55 1ue9 s LYS 37 Ca 0.12 -0.58 0.18 0.00 0.02 0.00 0.00 55.97 55.71 1ue9 s LYS 37 Cb 0.03 -0.82 0.13 0.00 -0.52 0.00 0.00 37.83 36.64 1ue9 s LYS 37 CO -0.02 0.21 1.05 -1.71 -0.92 0.00 0.00 175.35 173.96 1ue9 n ASN 38 N 2.30 2.41 -1.69 2.83 5.15 -0.26 -4.94 115.26 121.05 1ue9 n ASN 38 Ca -0.16 -1.70 -0.07 0.00 -0.60 0.00 0.00 54.58 52.04 1ue9 n ASN 38 Cb 0.55 0.04 -0.02 0.00 -0.53 0.00 0.00 39.78 39.83 1ue9 n ASN 38 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1ue9 n THR 39 N 0.90 -0.13 -0.39 -0.44 -2.24 -1.26 -4.63 114.28 106.09 1ue9 n THR 39 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1ue9 n THR 39 Cb 0.44 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1ue9 n THR 39 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ue9 n SER 40 N -0.52 1.02 0.00 3.42 7.64 -1.26 -4.97 113.62 118.94 1ue9 n SER 40 Ca -0.08 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1ue9 n SER 40 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 41 N -0.20 2.51 3.68 0.23 0.00 -1.26 -5.06 105.19 105.09 1ue9 n GLY 41 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.45 3.38 -0.01 1.61 0.52 -1.26 0.36 118.94 121.10 1ue9 s TRP 42 Ca 0.00 0.55 0.07 0.00 0.02 0.00 0.00 56.10 56.75 1ue9 s TRP 42 Cb 0.00 -2.45 -0.02 0.00 -1.15 0.00 0.00 33.47 29.85 1ue9 s TRP 42 CO 0.00 0.05 -0.23 -1.58 0.02 0.00 0.00 176.95 175.21 1ue9 s TRP 43 N 1.09 2.42 -0.44 -1.98 0.51 0.17 -1.11 118.94 119.60 1ue9 s TRP 43 Ca 0.17 -0.37 -0.07 0.00 -2.12 0.00 0.00 56.10 53.71 1ue9 s TRP 43 Cb -0.14 -1.50 0.11 0.00 -0.81 0.00 0.00 33.47 31.12 1ue9 s TRP 43 CO 0.07 0.06 0.28 -1.14 -0.51 0.00 0.00 176.95 175.70 1ue9 s GLN 44 N -0.81 2.39 0.04 4.98 0.74 0.23 -1.33 119.66 125.91 1ue9 s GLN 44 Ca 0.11 -1.69 0.01 0.00 0.05 0.00 0.00 55.36 53.83 1ue9 s GLN 44 Cb -0.10 -3.79 -0.00 0.00 1.10 0.00 0.00 33.01 30.22 1ue9 s GLN 44 CO 0.00 -1.09 0.02 0.41 -0.55 0.00 0.00 175.29 174.08 1ue9 n GLY 45 N 4.83 3.97 3.12 2.59 0.00 -1.15 0.19 105.19 118.73 1ue9 n GLY 45 Ca -0.07 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.17 2.17 -0.18 1.61 2.12 0.31 -2.84 118.70 119.71 1ue9 s GLU 46 Ca 0.03 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1ue9 s GLU 46 Cb 0.00 -1.74 -0.05 0.00 0.26 0.00 0.00 34.13 32.60 1ue9 s GLU 46 CO 0.02 0.13 2.00 -1.17 -0.54 0.00 0.00 175.26 175.70 1ue9 s LEU 47 N 0.41 3.74 -0.29 2.70 0.20 0.42 -0.27 118.68 125.61 1ue9 s LEU 47 Ca -0.13 1.93 0.01 0.00 0.69 0.00 0.00 54.13 56.62 1ue9 s LEU 47 Cb -0.16 -3.52 0.31 0.00 -0.43 0.00 0.00 46.19 42.40 1ue9 s LEU 47 CO 0.05 -1.61 1.70 0.00 -0.29 0.00 0.00 176.35 176.20 1ue9 n GLN 48 N 8.25 1.76 -4.94 1.98 1.13 0.51 -4.25 117.38 121.82 1ue9 n GLN 48 Ca 0.25 -1.67 -0.27 0.00 -1.94 0.00 0.00 57.00 53.37 1ue9 n GLN 48 Cb 0.44 -1.66 -0.15 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.88 1.72 0.53 -1.58 0.00 -1.22 -4.61 121.76 114.72 1ue9 s ALA 49 Ca 0.32 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 1ue9 s ALA 49 Cb 0.26 -0.42 -0.14 0.00 0.00 0.00 0.00 23.12 22.83 1ue9 s ALA 49 CO 0.03 0.41 -0.05 2.89 0.00 0.00 0.00 175.76 179.05 1ue9 n ARG 50 N 2.44 0.07 -3.78 0.00 1.85 -1.26 -4.90 116.66 111.08 1ue9 n ARG 50 Ca -0.16 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1ue9 n ARG 50 Cb 0.53 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ue9 n GLY 51 N 2.43 -2.40 0.01 2.89 0.00 -1.26 -5.02 105.19 101.84 1ue9 n GLY 51 Ca 0.08 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ue9 n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ue9 h LYS 52 N 0.00 -0.00 0.00 1.61 2.10 -2.03 -3.45 116.57 114.80 1ue9 h LYS 52 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1ue9 h LYS 52 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 1ue9 h LYS 52 CO 0.00 -0.00 -0.21 1.63 -2.00 0.00 0.00 179.45 178.87 1ue9 n LYS 53 N -3.05 0.21 -1.93 0.07 5.02 -1.26 -5.06 118.16 112.17 1ue9 n LYS 53 Ca 0.00 -1.61 -0.23 0.00 -2.02 0.00 0.00 58.31 54.45 1ue9 n LYS 53 Cb 0.01 1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 36.30 1ue9 n LYS 53 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ue9 s ARG 54 N -2.64 2.29 -0.15 1.97 1.81 -1.26 -4.89 118.95 116.08 1ue9 s ARG 54 Ca 0.19 -0.22 -0.34 0.00 -1.72 0.00 0.00 55.73 53.64 1ue9 s ARG 54 Cb 0.01 -5.02 -0.11 0.00 -0.45 0.00 0.00 34.95 29.38 1ue9 s ARG 54 CO 0.13 -3.76 1.96 1.04 -0.68 0.00 0.00 175.30 173.99 1ue9 n GLN 55 N 8.76 1.96 -4.12 3.54 3.00 -1.26 -4.78 117.38 124.49 1ue9 n GLN 55 Ca 0.42 0.69 -0.21 0.00 -0.01 0.00 0.00 57.00 57.89 1ue9 n GLN 55 Cb 0.46 -2.66 -0.16 0.00 0.00 0.00 0.00 30.24 27.88 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 4.61 0.84 -0.00 -1.09 2.36 -1.26 0.16 119.74 125.36 1ue9 s LYS 56 Ca 0.96 -0.09 -0.02 0.00 -2.55 0.00 0.00 55.97 54.27 1ue9 s LYS 56 Cb -0.70 -0.89 0.01 0.00 -1.05 0.00 0.00 37.83 35.20 1ue9 s LYS 56 CO 0.50 -0.11 0.08 0.41 1.55 0.00 0.00 175.35 177.78 1ue9 n GLY 57 N 4.20 0.47 3.84 5.54 0.00 -1.13 -4.86 105.19 113.25 1ue9 n GLY 57 Ca -0.22 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.43 3.43 0.12 1.61 0.52 0.35 -2.92 118.94 119.62 1ue9 s TRP 58 Ca 0.02 0.32 -0.18 0.00 0.02 0.00 0.00 56.10 56.28 1ue9 s TRP 58 Cb -0.00 -1.81 0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1ue9 s TRP 58 CO -0.00 0.62 0.45 -0.59 0.02 0.00 0.00 176.95 177.45 1ue9 s PHE 59 N -1.19 -0.30 0.06 -1.98 -0.12 -0.44 0.17 117.98 114.19 1ue9 s PHE 59 Ca 0.22 0.04 -0.30 0.00 -0.05 0.00 0.00 56.93 56.84 1ue9 s PHE 59 Cb -0.12 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 1ue9 s PHE 59 CO 0.13 -0.73 1.16 -1.25 -0.05 0.00 0.00 175.22 174.48 1ue9 s PRO 60 N -3.65 4.46 0.28 1.99 0.04 -1.26 0.41 135.00 137.27 1ue9 s PRO 60 Ca 0.02 1.72 0.25 0.00 0.04 0.00 0.00 61.00 63.02 1ue9 s PRO 60 Cb 0.01 -3.36 0.98 0.00 0.04 0.00 0.00 34.50 32.17 1ue9 s PRO 60 CO -0.11 -0.20 1.74 0.00 0.04 0.00 0.00 177.00 178.47 1ue9 h ALA 61 N 6.66 1.00 0.00 8.56 0.00 -0.43 -2.23 119.26 132.81 1ue9 h ALA 61 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.80 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.48 1ue9 n SER 62 N -2.32 0.39 0.05 0.00 7.64 -1.26 -1.18 113.62 116.93 1ue9 n SER 62 Ca 0.03 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.62 1ue9 n SER 62 Cb 0.27 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1ue9 n SER 62 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ue9 n HIS 63 N -1.94 0.45 -4.65 1.43 -0.00 -0.84 -4.82 115.22 104.85 1ue9 n HIS 63 Ca 0.02 0.13 -0.29 0.00 -0.00 0.00 0.00 57.72 57.58 1ue9 n HIS 63 Cb 0.18 -0.61 -0.10 0.00 -0.00 0.00 0.00 29.99 29.47 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 -3.28 1.59 -0.03 1.59 -7.23 -0.33 0.79 120.40 113.50 1ue9 s VAL 64 Ca 0.01 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1ue9 s VAL 64 Cb 0.13 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.43 1ue9 s VAL 64 CO 0.81 0.00 0.02 -1.59 -0.31 0.00 0.00 175.10 174.03 1ue9 s LYS 65 N -3.78 0.14 0.27 4.82 -2.85 0.15 -4.78 119.74 113.72 1ue9 s LYS 65 Ca 0.24 0.17 -0.31 0.00 -1.00 0.00 0.00 55.97 55.08 1ue9 s LYS 65 Cb 0.07 -0.44 -0.12 0.00 -2.06 0.00 0.00 37.83 35.28 1ue9 s LYS 65 CO 0.12 -0.19 1.63 1.28 0.10 0.00 0.00 175.35 178.29 1ue9 n LEU 66 N 4.41 4.26 -1.11 2.77 4.77 -1.26 -0.68 117.00 130.15 1ue9 n LEU 66 Ca -0.22 1.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.95 1ue9 n LEU 66 Cb 0.50 -1.59 0.24 0.00 -2.33 0.00 0.00 43.42 40.24 1ue9 n LEU 66 CO 0.19 0.15 0.68 0.18 -1.33 0.00 0.00 177.39 177.26 1ue9 n LEU 67 N 2.59 3.23 0.00 2.23 4.77 -1.06 -4.87 117.00 123.90 1ue9 n LEU 67 Ca 0.10 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1ue9 n LEU 67 Cb 0.36 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ue9 n LEU 67 CO 0.64 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1ue9 n GLY 68 N 0.97 0.73 3.80 -0.72 0.00 -1.26 -4.60 105.19 104.11 1ue9 n GLY 68 Ca 0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 3.80 0.43 1.61 0.04 -1.26 -4.85 135.00 134.78 1ue9 s PRO 69 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1ue9 s PRO 69 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1ue9 s PRO 69 CO 0.00 -0.43 0.00 0.45 0.04 0.00 0.00 177.00 177.06 1ue9 n SER 70 N -0.97 -3.88 -4.74 6.66 2.88 -1.26 -5.14 113.62 107.17 1ue9 n SER 70 Ca 0.09 0.84 -0.29 0.00 -1.33 0.00 0.00 58.87 58.18 1ue9 n SER 70 Cb 0.52 3.65 0.14 0.00 -0.75 0.00 0.00 64.21 67.77 1ue9 n SER 70 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ue9 s SER 71 N -2.00 3.47 -0.26 -3.46 0.01 -1.26 -4.99 113.70 105.21 1ue9 s SER 71 Ca 0.00 1.27 -0.22 0.00 1.31 0.00 0.00 55.95 58.31 1ue9 s SER 71 Cb 0.00 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1ue9 s SER 71 CO 0.00 -2.61 0.71 -1.61 0.41 0.00 0.00 173.24 170.14 1ue9 s GLU 72 N -5.05 4.08 0.39 12.44 2.02 -1.26 -5.04 118.70 126.28 1ue9 s GLU 72 Ca 0.63 0.64 0.08 0.00 0.02 0.00 0.00 54.97 56.35 1ue9 s GLU 72 Cb -0.17 -3.67 -0.07 0.00 0.10 0.00 0.00 34.13 30.32 1ue9 s GLU 72 CO 0.56 -0.50 0.01 -0.98 0.02 0.00 0.00 175.26 174.36 1ue9 s ARG 73 N 2.69 1.98 -0.60 1.61 1.70 -1.26 -5.02 118.95 120.05 1ue9 s ARG 73 Ca 0.30 -1.99 -0.26 0.00 -0.47 0.00 0.00 55.73 53.30 1ue9 s ARG 73 Cb -0.15 -1.74 -0.10 0.00 -0.57 0.00 0.00 34.95 32.40 1ue9 s ARG 73 CO 0.09 0.00 2.42 0.00 -1.08 0.00 0.00 175.30 176.74 1ue9 n ALA 74 N -0.97 0.64 -1.77 7.88 0.00 -1.26 -4.89 120.51 120.14 1ue9 n ALA 74 Ca -0.04 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.93 1ue9 n ALA 74 Cb 0.65 -3.20 -0.02 0.00 0.00 0.00 0.00 19.45 16.88 1ue9 n ALA 74 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ue9 s SER 75 N 11.67 6.82 0.55 0.00 1.04 -1.26 -5.03 113.70 127.49 1ue9 s SER 75 Ca 0.98 2.65 0.01 0.00 0.48 0.00 0.00 55.95 60.07 1ue9 s SER 75 Cb -0.20 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.31 1ue9 s SER 75 CO 0.22 -0.50 0.78 -0.83 0.98 0.00 0.00 173.24 173.88 1ue9 s GLY 76 N -0.50 1.80 0.69 7.32 0.00 -1.26 -5.09 107.32 110.29 1ue9 s GLY 76 Ca 0.49 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 1ue9 s GLY 76 CO 0.51 -1.01 1.06 2.56 0.00 0.00 0.00 173.10 176.22 1ue9 s PRO 77 N -4.77 2.96 0.00 2.90 0.04 -1.26 -5.06 135.00 129.81 1ue9 s PRO 77 Ca 0.57 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1ue9 s PRO 77 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1ue9 s PRO 77 CO 0.39 -1.09 0.00 -1.13 0.04 0.00 0.00 177.00 175.21 1ue9 n SER 78 N -3.09 0.00 -4.37 6.66 3.41 -1.26 -5.18 113.62 109.78 1ue9 n SER 78 Ca 0.08 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.49 1ue9 n SER 78 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1ue9 n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ue9 s SER 79 N 0.00 2.71 0.00 4.04 1.04 -1.26 -5.33 113.70 114.90 1ue9 s SER 79 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1ue9 s SER 79 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1ue9 s SER 79 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64