#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 -0.40 -0.32 1.61 0.15 -1.26 -4.88 113.70 108.61 1ue9 s SER 2 Ca 0.00 0.64 -0.02 0.00 0.70 0.00 0.00 55.95 57.27 1ue9 s SER 2 Cb 0.00 1.13 0.11 0.00 -1.71 0.00 0.00 66.02 65.55 1ue9 s SER 2 CO 0.00 -0.10 0.14 -0.44 1.20 0.00 0.00 173.24 174.04 1ue9 s SER 3 N 1.20 3.61 -0.89 5.45 0.01 -1.26 -4.93 113.70 116.89 1ue9 s SER 3 Ca -0.08 -1.63 -0.06 0.00 1.31 0.00 0.00 55.95 55.49 1ue9 s SER 3 Cb -0.03 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.64 1ue9 s SER 3 CO -0.13 -0.40 0.61 0.61 0.41 0.00 0.00 173.24 174.34 1ue9 n GLY 4 N 4.82 -1.24 3.62 3.44 0.00 -1.26 -4.94 105.19 109.62 1ue9 n GLY 4 Ca -0.01 0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.54 1ue9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ue9 s SER 5 N -3.07 -0.08 -0.47 1.61 0.01 -1.26 -5.12 113.70 105.31 1ue9 s SER 5 Ca 0.08 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.43 1ue9 s SER 5 Cb -0.04 0.08 0.19 0.00 0.21 0.00 0.00 66.02 66.46 1ue9 s SER 5 CO 0.91 -0.12 0.73 -0.55 0.41 0.00 0.00 173.24 174.62 1ue9 s SER 6 N -1.82 -1.38 -0.28 2.44 0.15 -1.26 -5.01 113.70 106.54 1ue9 s SER 6 Ca 0.10 -1.34 -0.18 0.00 0.70 0.00 0.00 55.95 55.23 1ue9 s SER 6 Cb -0.01 1.79 0.11 0.00 -1.71 0.00 0.00 66.02 66.20 1ue9 s SER 6 CO -0.04 -0.08 0.85 -0.83 1.20 0.00 0.00 173.24 174.33 1ue9 s GLY 7 N 1.18 -0.31 0.45 9.45 0.00 -1.26 -5.08 107.32 111.75 1ue9 s GLY 7 Ca 0.25 2.72 -0.25 0.00 0.00 0.00 0.00 44.72 47.45 1ue9 s GLY 7 CO -0.06 2.38 1.38 -0.54 0.00 0.00 0.00 173.10 176.25 1ue9 s GLU 8 N 1.27 3.71 0.18 2.90 8.01 -1.25 -4.73 118.70 128.79 1ue9 s GLU 8 Ca -0.07 2.31 0.07 0.00 0.01 0.00 0.00 54.97 57.29 1ue9 s GLU 8 Cb -0.04 -2.63 -0.04 0.00 -4.31 0.00 0.00 34.13 27.10 1ue9 s GLU 8 CO -0.15 -0.76 0.01 0.42 0.01 0.00 0.00 175.26 174.80 1ue9 s ILE 9 N -1.24 3.77 -0.14 -1.63 -1.09 -1.26 0.70 121.20 120.31 1ue9 s ILE 9 Ca 0.61 -1.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.49 1ue9 s ILE 9 Cb -0.41 -2.91 0.05 0.00 -1.58 0.00 0.00 42.46 37.60 1ue9 s ILE 9 CO 0.53 -0.14 0.36 0.00 -1.23 0.00 0.00 174.94 174.46 1ue9 s ALA 10 N -1.79 -0.89 -0.17 9.38 0.00 -1.08 -3.21 121.76 124.01 1ue9 s ALA 10 Ca 0.28 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1ue9 s ALA 10 Cb -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1ue9 s ALA 10 CO 0.19 -0.21 0.37 -1.14 0.00 0.00 0.00 175.76 174.97 1ue9 s GLN 11 N 0.86 4.23 0.16 0.00 0.74 0.51 -3.02 119.66 123.15 1ue9 s GLN 11 Ca -0.05 0.21 -0.31 0.00 0.05 0.00 0.00 55.36 55.25 1ue9 s GLN 11 Cb -0.06 -3.48 -0.09 0.00 1.10 0.00 0.00 33.01 30.47 1ue9 s GLN 11 CO -0.06 0.09 1.49 0.08 -0.55 0.00 0.00 175.29 176.34 1ue9 s VAL 12 N 0.89 2.86 -0.03 1.34 1.01 -1.22 0.00 120.40 125.25 1ue9 s VAL 12 Ca 0.19 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1ue9 s VAL 12 Cb -0.14 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 1ue9 s VAL 12 CO 0.07 0.06 0.10 0.35 0.00 0.00 0.00 175.10 175.68 1ue9 n THR 13 N 3.69 0.20 -3.98 3.92 -2.24 0.31 -3.72 114.28 112.47 1ue9 n THR 13 Ca 0.12 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 1ue9 n THR 13 Cb 0.40 -0.16 -0.16 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.28 0.49 0.40 3.42 0.01 -0.21 -4.91 113.70 109.63 1ue9 s SER 14 Ca -0.03 -0.05 -0.26 0.00 1.31 0.00 0.00 55.95 56.92 1ue9 s SER 14 Cb 0.04 -0.25 -0.09 0.00 0.21 0.00 0.00 66.02 65.93 1ue9 s SER 14 CO 0.30 -0.08 1.33 0.00 0.41 0.00 0.00 173.24 175.19 1ue9 s ALA 15 N 0.93 3.30 0.08 1.44 0.00 -1.26 -4.67 121.76 121.58 1ue9 s ALA 15 Ca -0.10 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1ue9 s ALA 15 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1ue9 s ALA 15 CO -0.01 -0.86 -0.10 -0.47 0.00 0.00 0.00 175.76 174.32 1ue9 s TYR 16 N -1.24 0.99 -0.11 0.00 5.04 -0.03 -4.96 117.35 117.04 1ue9 s TYR 16 Ca 0.56 -0.61 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1ue9 s TYR 16 Cb -0.39 -0.55 0.02 0.00 0.35 0.00 0.00 41.96 41.39 1ue9 s TYR 16 CO 0.51 -0.02 -0.09 0.08 -1.34 0.00 0.00 175.55 174.69 1ue9 s VAL 17 N -2.10 1.09 0.76 3.14 1.01 -1.26 -2.64 120.40 120.40 1ue9 s VAL 17 Ca 0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1ue9 s VAL 17 Cb -0.05 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.29 1ue9 s VAL 17 CO 0.00 0.37 1.05 0.00 0.00 0.00 0.00 175.10 176.52 1ue9 n ALA 18 N 4.72 -0.21 -2.65 5.51 0.00 -1.26 -4.95 120.51 121.67 1ue9 n ALA 18 Ca -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1ue9 n ALA 18 Cb 0.50 -2.16 0.12 0.00 0.00 0.00 0.00 19.45 17.91 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 -2.29 -1.30 0.00 0.00 2.88 -1.26 -5.05 113.62 106.60 1ue9 n SER 19 Ca 0.13 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1ue9 n SER 19 Cb 0.50 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 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 -1.38 3.39 1.09 0.46 0.00 -1.26 -5.09 105.19 102.39 1ue9 n GLY 20 Ca -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.11 -2.35 1.61 2.88 -1.26 -4.87 113.62 109.74 1ue9 n SER 21 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1ue9 n SER 21 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1ue9 n SER 21 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ue9 n GLU 22 N -2.11 3.07 -4.10 -1.46 0.28 -1.26 -4.99 120.64 110.06 1ue9 n GLU 22 Ca 0.00 -3.74 -0.29 0.00 -0.16 0.00 0.00 57.16 52.97 1ue9 n GLU 22 Cb 0.03 -2.28 -0.07 0.00 1.43 0.00 0.00 31.44 30.55 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1ue9 s GLN 23 N -3.77 2.70 -0.09 3.44 -0.21 -1.26 0.16 119.66 120.64 1ue9 s GLN 23 Ca 0.57 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 55.14 1ue9 s GLN 23 Cb 0.46 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.87 1ue9 s GLN 23 CO -0.08 0.52 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.23 1ue9 s LEU 24 N -2.59 1.96 -0.11 2.90 2.96 -1.16 -4.55 118.68 118.09 1ue9 s LEU 24 Ca 0.28 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 1ue9 s LEU 24 Cb -0.11 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1ue9 s LEU 24 CO 0.21 0.12 1.29 -0.94 -1.32 0.00 0.00 176.35 175.70 1ue9 s SER 25 N 0.45 6.95 0.08 3.68 1.04 -1.26 -4.62 113.70 120.02 1ue9 s SER 25 Ca -0.17 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.05 1ue9 s SER 25 Cb -0.17 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.35 1ue9 s SER 25 CO 0.07 -0.71 0.27 -0.76 0.98 0.00 0.00 173.24 173.09 1ue9 s LEU 26 N 3.02 4.33 -0.00 2.42 1.43 -1.08 -4.94 118.68 123.85 1ue9 s LEU 26 Ca 0.57 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 1ue9 s LEU 26 Cb -0.24 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1ue9 s LEU 26 CO 0.19 0.14 -0.09 0.00 0.23 0.00 0.00 176.35 176.83 1ue9 s ALA 27 N -1.53 0.73 -0.32 4.21 0.00 -1.26 -0.85 121.76 122.73 1ue9 s ALA 27 Ca 0.36 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1ue9 s ALA 27 Cb -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1ue9 s ALA 27 CO 0.25 0.17 1.36 -1.25 0.00 0.00 0.00 175.76 176.29 1ue9 s PRO 28 N -0.32 3.82 0.00 0.00 0.04 -1.26 -2.90 135.00 134.37 1ue9 s PRO 28 Ca 0.03 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ue9 s PRO 28 Cb -0.04 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ue9 s PRO 28 CO -0.00 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1ue9 n GLY 29 N 4.54 1.60 3.25 0.56 0.00 -1.24 -5.04 105.19 108.86 1ue9 n GLY 29 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ue9 n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ue9 n GLN 30 N -0.84 0.88 -4.21 1.61 6.02 -1.14 -5.03 117.38 114.66 1ue9 n GLN 30 Ca 0.00 -3.31 -0.17 0.00 -0.01 0.00 0.00 57.00 53.51 1ue9 n GLN 30 Cb 0.00 0.95 -0.13 0.00 1.02 0.00 0.00 30.24 32.08 1ue9 n GLN 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ue9 s LEU 31 N 0.00 2.16 0.02 1.08 1.43 -1.26 -3.41 118.68 118.70 1ue9 s LEU 31 Ca 0.01 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1ue9 s LEU 31 Cb 0.00 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1ue9 s LEU 31 CO 0.01 -0.04 -0.04 -0.63 0.23 0.00 0.00 176.35 175.88 1ue9 s ILE 32 N -0.86 0.27 -0.32 -0.59 1.01 -1.17 0.19 121.20 119.73 1ue9 s ILE 32 Ca -0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1ue9 s ILE 32 Cb -0.07 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 1ue9 s ILE 32 CO 0.01 -0.24 0.17 -0.22 0.00 0.00 0.00 174.94 174.66 1ue9 s LEU 33 N -0.94 4.23 0.01 2.97 2.96 -0.30 -2.62 118.68 125.00 1ue9 s LEU 33 Ca -0.07 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.01 1ue9 s LEU 33 Cb -0.06 -2.03 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 1ue9 s LEU 33 CO -0.00 -0.21 1.61 -0.63 -1.32 0.00 0.00 176.35 175.80 1ue9 s ILE 34 N 1.64 3.35 -0.16 6.68 -1.09 0.22 -0.57 121.20 131.26 1ue9 s ILE 34 Ca 0.05 0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 59.08 1ue9 s ILE 34 Cb -0.17 -3.43 -0.08 0.00 -1.58 0.00 0.00 42.46 37.20 1ue9 s ILE 34 CO 0.07 -0.02 -0.19 0.18 -1.23 0.00 0.00 174.94 173.75 1ue9 n LEU 35 N 6.15 1.69 -4.00 2.97 4.77 0.78 -3.80 117.00 125.55 1ue9 n LEU 35 Ca 0.16 0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 56.07 1ue9 n LEU 35 Cb 0.42 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 1ue9 n LEU 35 CO 0.62 0.46 -0.43 -0.75 -1.33 0.00 0.00 177.39 175.96 1ue9 s LYS 36 N -2.30 0.76 0.13 3.23 2.36 0.87 -4.98 119.74 119.80 1ue9 s LYS 36 Ca -0.22 -0.29 0.09 0.00 -2.55 0.00 0.00 55.97 52.99 1ue9 s LYS 36 Cb 0.08 -0.73 -0.04 0.00 -1.05 0.00 0.00 37.83 36.09 1ue9 s LYS 36 CO 0.31 0.15 -0.21 0.15 1.55 0.00 0.00 175.35 177.30 1ue9 s LYS 37 N -0.04 1.21 0.19 4.03 1.02 -1.26 0.99 119.74 125.88 1ue9 s LYS 37 Ca 0.01 -1.26 -0.02 0.00 0.02 0.00 0.00 55.97 54.71 1ue9 s LYS 37 Cb -0.05 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1ue9 s LYS 37 CO -0.00 0.33 0.15 0.54 -0.92 0.00 0.00 175.35 175.45 1ue9 s ASN 38 N -2.15 0.15 0.09 2.83 4.22 -1.21 -5.00 114.94 113.87 1ue9 s ASN 38 Ca 0.10 -1.30 -0.00 0.00 -2.14 0.00 0.00 52.86 49.52 1ue9 s ASN 38 Cb -0.09 0.38 -0.25 0.00 1.28 0.00 0.00 41.25 42.58 1ue9 s ASN 38 CO 0.05 -0.85 1.20 0.00 -2.04 0.00 0.00 177.10 175.47 1ue9 h THR 39 N 2.63 1.57 -0.88 0.54 1.03 -2.02 -3.29 112.91 112.50 1ue9 h THR 39 Ca -0.35 -3.16 0.24 0.00 -0.01 0.00 0.00 66.41 63.13 1ue9 h THR 39 Cb 1.24 2.89 -0.14 0.00 -1.07 0.00 0.00 68.15 71.07 1ue9 h THR 39 CO 0.52 0.92 0.24 -1.28 -0.01 0.00 0.00 175.52 175.91 1ue9 h SER 40 N 0.05 -0.01 0.00 0.00 0.87 -2.05 -3.44 113.55 108.98 1ue9 h SER 40 Ca -0.09 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ue9 h SER 40 Cb 1.88 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 64.11 1ue9 h SER 40 CO 0.18 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1ue9 n GLY 41 N -1.38 0.39 3.71 5.77 0.00 -1.24 -5.11 105.19 107.34 1ue9 n GLY 41 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.37 3.43 -0.02 1.61 0.52 -1.26 -1.98 118.94 119.86 1ue9 s TRP 42 Ca 0.00 0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.71 1ue9 s TRP 42 Cb 0.00 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.93 1ue9 s TRP 42 CO 0.00 0.18 -0.11 -1.58 0.02 0.00 0.00 176.95 175.46 1ue9 s TRP 43 N 0.67 2.78 -0.59 -1.98 0.51 0.27 -3.31 118.94 117.29 1ue9 s TRP 43 Ca 0.16 -0.10 -0.06 0.00 -2.12 0.00 0.00 56.10 53.98 1ue9 s TRP 43 Cb -0.13 -1.61 0.15 0.00 -0.81 0.00 0.00 33.47 31.07 1ue9 s TRP 43 CO 0.04 0.28 0.43 -1.14 -0.51 0.00 0.00 176.95 176.06 1ue9 s GLN 44 N -1.06 2.61 0.30 4.98 0.74 0.28 -0.05 119.66 127.46 1ue9 s GLN 44 Ca 0.14 -2.26 0.00 0.00 0.05 0.00 0.00 55.36 53.29 1ue9 s GLN 44 Cb -0.11 -3.85 -0.00 0.00 1.10 0.00 0.00 33.01 30.15 1ue9 s GLN 44 CO 0.04 -1.18 0.01 0.41 -0.55 0.00 0.00 175.29 174.02 1ue9 n GLY 45 N 4.02 3.79 2.98 2.59 0.00 -1.18 -0.09 105.19 117.29 1ue9 n GLY 45 Ca 0.04 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.08 1.84 -0.25 1.61 2.12 0.26 -2.92 118.70 118.28 1ue9 s GLU 46 Ca 0.02 -0.40 -0.38 0.00 0.36 0.00 0.00 54.97 54.57 1ue9 s GLU 46 Cb 0.00 -1.72 -0.14 0.00 0.26 0.00 0.00 34.13 32.53 1ue9 s GLU 46 CO 0.01 -0.18 1.87 -0.11 -0.54 0.00 0.00 175.26 176.32 1ue9 n LEU 47 N 4.59 2.59 -1.77 2.70 0.00 -1.00 -1.15 117.00 122.97 1ue9 n LEU 47 Ca -0.16 0.92 -0.15 0.00 0.00 0.00 0.00 56.01 56.61 1ue9 n LEU 47 Cb 0.50 -1.22 0.08 0.00 0.00 0.00 0.00 43.42 42.79 1ue9 n LEU 47 CO 0.20 -0.39 1.05 0.00 0.00 0.00 0.00 177.39 178.25 1ue9 n GLN 48 N 6.29 1.77 -3.11 1.96 1.13 0.50 -4.29 117.38 121.63 1ue9 n GLN 48 Ca 0.29 -1.69 -0.21 0.00 -1.94 0.00 0.00 57.00 53.45 1ue9 n GLN 48 Cb 0.19 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 n ALA 49 N -0.19 2.88 -0.19 -1.58 0.00 -1.25 -4.69 120.51 115.50 1ue9 n ALA 49 Ca 0.33 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1ue9 n ALA 49 Cb 0.94 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1ue9 n ALA 49 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ue9 n ARG 50 N 0.11 0.00 0.00 0.00 1.85 -1.26 -5.02 116.66 112.34 1ue9 n ARG 50 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1ue9 n ARG 50 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 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 0.00 1.57 0.40 2.89 0.00 -1.26 -4.51 105.19 104.28 1ue9 n GLY 51 Ca 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.02 -0.59 1.61 3.64 -2.02 -3.34 116.57 115.85 1ue9 h LYS 52 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1ue9 h LYS 52 Cb 0.00 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 31.64 1ue9 h LYS 52 CO 0.00 -0.01 -0.57 1.17 -2.27 0.00 0.00 179.45 177.77 1ue9 n LYS 53 N -5.38 0.68 -3.16 1.90 4.81 -1.26 -5.04 118.16 110.69 1ue9 n LYS 53 Ca 0.06 -2.03 0.00 0.00 -0.87 0.00 0.00 58.31 55.47 1ue9 n LYS 53 Cb 0.34 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1ue9 n LYS 53 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ue9 n ARG 54 N 2.05 -0.36 -1.27 1.64 5.12 -1.25 -4.78 116.66 117.80 1ue9 n ARG 54 Ca 0.14 0.81 -0.37 0.00 -1.93 0.00 0.00 57.85 56.50 1ue9 n ARG 54 Cb 0.59 -0.95 0.06 0.00 -1.16 0.00 0.00 32.46 31.00 1ue9 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ue9 n GLN 55 N 1.42 0.28 -3.48 5.56 1.13 -1.26 -4.83 117.38 116.20 1ue9 n GLN 55 Ca 0.00 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1ue9 n GLN 55 Cb 0.44 -1.69 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 1ue9 n GLN 55 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1ue9 s LYS 56 N -2.45 0.30 0.01 -1.09 2.36 -1.26 -2.37 119.74 115.24 1ue9 s LYS 56 Ca 0.64 0.67 -0.26 0.00 -2.55 0.00 0.00 55.97 54.46 1ue9 s LYS 56 Cb -0.37 0.30 0.09 0.00 -1.05 0.00 0.00 37.83 36.79 1ue9 s LYS 56 CO 0.60 -0.09 1.20 0.41 1.55 0.00 0.00 175.35 179.02 1ue9 n GLY 57 N 4.48 0.29 3.59 5.54 0.00 -1.15 -4.79 105.19 113.15 1ue9 n GLY 57 Ca -0.12 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.08 3.23 0.18 1.61 0.52 0.44 -3.08 118.94 119.76 1ue9 s TRP 58 Ca 0.28 0.35 0.06 0.00 0.02 0.00 0.00 56.10 56.81 1ue9 s TRP 58 Cb -0.01 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.58 1ue9 s TRP 58 CO 0.00 -0.33 -0.13 -0.59 0.02 0.00 0.00 176.95 175.93 1ue9 s PHE 59 N 2.17 1.53 0.07 -1.98 -0.12 0.93 -3.01 117.98 117.58 1ue9 s PHE 59 Ca 0.16 -0.65 -0.30 0.00 -0.05 0.00 0.00 56.93 56.09 1ue9 s PHE 59 Cb -0.16 -0.73 -0.06 0.00 -0.63 0.00 0.00 43.02 41.44 1ue9 s PHE 59 CO 0.11 0.25 1.16 -1.25 -0.05 0.00 0.00 175.22 175.43 1ue9 s PRO 60 N -3.68 4.47 0.49 1.99 0.04 -1.26 0.96 135.00 138.01 1ue9 s PRO 60 Ca 0.20 1.73 0.32 0.00 0.04 0.00 0.00 61.00 63.28 1ue9 s PRO 60 Cb 0.01 -3.35 1.28 0.00 0.04 0.00 0.00 34.50 32.48 1ue9 s PRO 60 CO 0.04 -0.18 1.93 0.00 0.04 0.00 0.00 177.00 178.82 1ue9 h ALA 61 N 6.53 1.00 0.00 8.56 0.00 -1.73 -2.03 119.26 131.59 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 0.79 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.47 1ue9 n SER 62 N -2.91 0.00 0.02 0.00 7.64 -1.26 -0.88 113.62 116.23 1ue9 n SER 62 Ca 0.01 0.44 0.11 0.00 1.01 0.00 0.00 58.87 60.44 1ue9 n SER 62 Cb 0.29 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.46 0.24 -4.68 1.43 -0.00 -0.76 -4.77 115.22 105.22 1ue9 n HIS 63 Ca 0.03 0.07 -0.30 0.00 -0.00 0.00 0.00 57.72 57.52 1ue9 n HIS 63 Cb 0.12 -0.54 -0.09 0.00 -0.00 0.00 0.00 29.99 29.48 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 -3.39 1.30 -0.01 1.59 -7.23 -0.05 0.12 120.40 112.71 1ue9 s VAL 64 Ca -0.03 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1ue9 s VAL 64 Cb 0.13 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.66 1ue9 s VAL 64 CO 0.87 0.00 -0.02 -1.59 -0.31 0.00 0.00 175.10 174.04 1ue9 s LYS 65 N -3.82 0.31 0.08 4.82 -2.85 0.10 -4.77 119.74 113.61 1ue9 s LYS 65 Ca 0.17 -0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 54.79 1ue9 s LYS 65 Cb 0.04 -0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 35.39 1ue9 s LYS 65 CO 0.09 -0.01 1.03 -0.51 0.10 0.00 0.00 175.35 176.05 1ue9 s LEU 66 N 0.36 4.43 -0.01 2.77 1.43 -1.26 -0.36 118.68 126.04 1ue9 s LEU 66 Ca -0.04 1.83 0.09 0.00 -1.03 0.00 0.00 54.13 54.98 1ue9 s LEU 66 Cb -0.06 -3.58 0.28 0.00 0.03 0.00 0.00 46.19 42.85 1ue9 s LEU 66 CO -0.01 -0.22 1.19 0.18 0.23 0.00 0.00 176.35 177.72 1ue9 n LEU 67 N 3.28 1.82 0.00 1.79 4.32 -1.20 -4.41 117.00 122.61 1ue9 n LEU 67 Ca 0.05 -0.92 0.00 0.00 -0.02 0.00 0.00 56.01 55.12 1ue9 n LEU 67 Cb 0.49 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1ue9 n LEU 67 CO 0.53 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.71 1ue9 n GLY 68 N 0.87 -1.87 2.38 -0.72 0.00 -1.26 -4.88 105.19 99.71 1ue9 n GLY 68 Ca 0.10 0.84 -0.23 0.00 0.00 0.00 0.00 46.02 46.73 1ue9 n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ue9 n PRO 69 N 0.00 2.41 0.00 1.61 -0.04 -1.26 -3.96 135.00 133.76 1ue9 n PRO 69 Ca 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1ue9 n PRO 69 Cb 0.00 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1ue9 n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ue9 n SER 70 N 3.55 0.00 -4.27 3.54 2.88 -1.26 -5.09 113.62 112.96 1ue9 n SER 70 Ca 0.51 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.61 1ue9 n SER 70 Cb 0.33 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.00 6.45 0.00 -3.46 0.01 -1.25 -1.32 113.70 114.12 1ue9 s SER 71 Ca 0.00 -2.87 0.00 0.00 1.31 0.00 0.00 55.95 54.39 1ue9 s SER 71 Cb 0.00 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1ue9 s SER 71 CO 0.00 -0.48 0.00 -0.62 0.41 0.00 0.00 173.24 172.55 1ue9 n GLU 72 N 3.66 0.00 0.00 12.44 1.02 -1.26 -4.99 120.64 131.51 1ue9 n GLU 72 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1ue9 n GLU 72 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1ue9 n GLU 72 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ue9 n ARG 73 N -1.08 0.00 0.19 3.49 1.74 -1.26 -4.94 116.66 114.79 1ue9 n ARG 73 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1ue9 n ARG 73 Cb 0.00 -0.23 -0.04 0.00 -1.02 0.00 0.00 32.46 31.18 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ue9 h ALA 74 N 0.00 -0.93 -3.40 7.54 0.00 -1.96 -3.49 119.26 117.02 1ue9 h ALA 74 Ca 0.00 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.15 1ue9 h ALA 74 Cb 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 17.80 1ue9 h ALA 74 CO 0.00 -0.90 -1.16 0.43 0.00 0.00 0.00 179.25 177.62 1ue9 n SER 75 N -3.55 -7.87 -4.85 0.00 7.64 -0.44 -4.87 113.62 99.68 1ue9 n SER 75 Ca -0.06 1.33 -0.32 0.00 1.01 0.00 0.00 58.87 60.83 1ue9 n SER 75 Cb 0.19 -4.79 -0.04 0.00 -1.01 0.00 0.00 64.21 58.57 1ue9 n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ue9 s GLY 76 N -7.19 2.05 0.74 0.23 0.00 -1.26 -5.04 107.32 96.85 1ue9 s GLY 76 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.66 1ue9 s GLY 76 CO 0.00 0.29 1.08 2.56 0.00 0.00 0.00 173.10 177.03 1ue9 s PRO 77 N -3.88 2.57 -0.28 2.90 0.04 -1.26 -4.63 135.00 130.46 1ue9 s PRO 77 Ca 0.56 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1ue9 s PRO 77 Cb -0.10 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1ue9 s PRO 77 CO 0.30 -1.32 0.06 0.45 0.04 0.00 0.00 177.00 176.52 1ue9 n SER 78 N -3.26 -6.12 -4.73 6.66 2.88 -1.26 -4.94 113.62 102.85 1ue9 n SER 78 Ca 0.07 1.41 -0.41 0.00 -1.33 0.00 0.00 58.87 58.62 1ue9 n SER 78 Cb 0.55 -5.30 -0.04 0.00 -0.75 0.00 0.00 64.21 58.66 1ue9 n SER 78 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ue9 s SER 79 N -1.39 7.30 0.00 -3.46 1.04 -1.26 -4.94 113.70 110.99 1ue9 s SER 79 Ca -0.07 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1ue9 s SER 79 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1ue9 s SER 79 CO 0.78 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.54