#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 6.59 -0.02 1.61 0.01 -1.26 -4.65 113.70 115.98 1ue9 s SER 2 Ca 0.00 -1.80 -0.06 0.00 1.31 0.00 0.00 55.95 55.40 1ue9 s SER 2 Cb 0.00 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1ue9 s SER 2 CO 0.00 -1.28 -0.13 -1.20 0.41 0.00 0.00 173.24 171.04 1ue9 n SER 3 N 7.77 1.26 0.00 2.44 7.64 -1.26 -5.15 113.62 126.32 1ue9 n SER 3 Ca 0.30 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1ue9 n SER 3 Cb 0.50 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1ue9 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 4 N 2.67 0.61 3.60 0.23 0.00 -1.26 -5.12 105.19 105.92 1ue9 n GLY 4 Ca -0.08 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.84 1ue9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ue9 s SER 5 N -4.00 -0.14 0.42 1.61 1.04 -1.26 -5.16 113.70 106.21 1ue9 s SER 5 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1ue9 s SER 5 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1ue9 s SER 5 CO 0.00 -0.21 0.00 -0.24 0.98 0.00 0.00 173.24 173.77 1ue9 n SER 6 N 0.08 -6.05 -5.00 7.02 2.88 -1.26 -5.00 113.62 106.30 1ue9 n SER 6 Ca -0.01 1.30 -0.17 0.00 -1.33 0.00 0.00 58.87 58.65 1ue9 n SER 6 Cb 0.58 -3.30 0.01 0.00 -0.75 0.00 0.00 64.21 60.75 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 -4.55 1.95 -0.34 0.46 0.00 -1.26 -5.06 107.32 98.52 1ue9 s GLY 7 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 44.72 42.73 1ue9 s GLY 7 CO 0.00 -1.52 1.02 -0.54 0.00 0.00 0.00 173.10 172.06 1ue9 s GLU 8 N -4.35 3.97 0.11 2.90 2.02 -1.26 -4.90 118.70 117.19 1ue9 s GLU 8 Ca 0.55 0.87 -0.20 0.00 0.02 0.00 0.00 54.97 56.21 1ue9 s GLU 8 Cb -0.09 -3.77 -0.07 0.00 0.10 0.00 0.00 34.13 30.30 1ue9 s GLU 8 CO 0.33 -0.94 0.62 0.42 0.02 0.00 0.00 175.26 175.71 1ue9 s ILE 9 N 3.63 4.67 -0.02 -1.63 -1.09 -1.26 -0.69 121.20 124.81 1ue9 s ILE 9 Ca 0.43 1.27 0.06 0.00 -2.23 0.00 0.00 60.65 60.18 1ue9 s ILE 9 Cb -0.12 -3.92 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1ue9 s ILE 9 CO 0.17 0.49 -0.20 0.00 -1.23 0.00 0.00 174.94 174.18 1ue9 s ALA 10 N -1.19 1.64 -0.30 9.38 0.00 -0.77 -2.36 121.76 128.16 1ue9 s ALA 10 Ca 0.32 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1ue9 s ALA 10 Cb -0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1ue9 s ALA 10 CO 0.20 0.40 0.19 -1.14 0.00 0.00 0.00 175.76 175.41 1ue9 s GLN 11 N -0.44 3.67 0.16 0.00 0.74 0.54 -2.77 119.66 121.57 1ue9 s GLN 11 Ca 0.07 -0.51 -0.31 0.00 0.05 0.00 0.00 55.36 54.66 1ue9 s GLN 11 Cb -0.08 -3.67 -0.11 0.00 1.10 0.00 0.00 33.01 30.25 1ue9 s GLN 11 CO -0.01 -0.31 1.79 0.08 -0.55 0.00 0.00 175.29 176.29 1ue9 s VAL 12 N 1.71 2.29 -0.44 1.34 1.01 -1.20 -0.14 120.40 124.98 1ue9 s VAL 12 Ca 0.06 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1ue9 s VAL 12 Cb -0.17 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1ue9 s VAL 12 CO 0.09 0.00 0.38 0.35 0.00 0.00 0.00 175.10 175.93 1ue9 n THR 13 N 4.39 0.00 -3.68 3.92 -2.24 0.44 -3.73 114.28 113.39 1ue9 n THR 13 Ca 0.17 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1ue9 n THR 13 Cb 0.37 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.77 -0.66 0.55 3.42 0.01 0.53 -4.97 113.70 110.81 1ue9 s SER 14 Ca 0.04 1.14 -0.21 0.00 1.31 0.00 0.00 55.95 58.23 1ue9 s SER 14 Cb 0.07 1.06 -0.04 0.00 0.21 0.00 0.00 66.02 67.31 1ue9 s SER 14 CO 0.34 -0.21 1.28 0.00 0.41 0.00 0.00 173.24 175.07 1ue9 s ALA 15 N 1.17 2.72 0.05 1.44 0.00 -1.26 -4.62 121.76 121.25 1ue9 s ALA 15 Ca -0.07 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1ue9 s ALA 15 Cb -0.06 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1ue9 s ALA 15 CO -0.11 -1.22 -0.04 -0.47 0.00 0.00 0.00 175.76 173.91 1ue9 s TYR 16 N -1.43 0.54 -0.24 0.00 5.04 0.25 -4.96 117.35 116.55 1ue9 s TYR 16 Ca 0.73 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1ue9 s TYR 16 Cb -0.36 -0.36 0.06 0.00 0.35 0.00 0.00 41.96 41.65 1ue9 s TYR 16 CO 0.41 -0.25 -0.05 0.08 -1.34 0.00 0.00 175.55 174.40 1ue9 s VAL 17 N -2.92 1.61 1.00 3.14 1.01 -1.26 -2.92 120.40 120.06 1ue9 s VAL 17 Ca -0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 1ue9 s VAL 17 Cb 0.01 -1.88 -0.12 0.00 0.00 0.00 0.00 36.38 34.38 1ue9 s VAL 17 CO -0.05 -0.13 -0.75 0.00 0.00 0.00 0.00 175.10 174.16 1ue9 n ALA 18 N 4.63 -5.14 -0.08 5.51 0.00 -1.26 -4.96 120.51 119.21 1ue9 n ALA 18 Ca -0.11 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 1ue9 n ALA 18 Cb 0.44 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 2.67 1.22 0.00 0.00 2.88 -1.26 -5.01 113.62 114.12 1ue9 n SER 19 Ca -0.01 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ue9 n SER 19 Cb 0.59 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 1.99 1.62 3.54 0.46 0.00 -1.26 -5.01 105.19 106.52 1ue9 n GLY 20 Ca -0.30 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1ue9 n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ue9 n SER 21 N 0.00 1.79 -2.19 1.61 3.41 -1.26 -3.79 113.62 113.19 1ue9 n SER 21 Ca 0.00 -2.56 -0.02 0.00 -0.26 0.00 0.00 58.87 56.04 1ue9 n SER 21 Cb 0.00 -1.52 -0.00 0.00 -0.26 0.00 0.00 64.21 62.43 1ue9 n SER 21 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ue9 n GLU 22 N 8.08 -2.51 -0.56 4.33 2.13 -1.26 -4.53 120.64 126.32 1ue9 n GLU 22 Ca 0.43 0.08 -0.29 0.00 0.66 0.00 0.00 57.16 58.05 1ue9 n GLU 22 Cb 0.46 -4.50 0.26 0.00 0.27 0.00 0.00 31.44 27.93 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 -4.41 -1.51 -0.03 5.31 1.11 -1.25 0.93 119.66 119.82 1ue9 s GLN 23 Ca 0.00 0.54 -0.01 0.00 0.01 0.00 0.00 55.36 55.91 1ue9 s GLN 23 Cb 0.00 -1.51 0.03 0.00 -1.01 0.00 0.00 33.01 30.52 1ue9 s GLN 23 CO 0.00 -4.04 0.04 -1.17 0.01 0.00 0.00 175.29 170.13 1ue9 s LEU 24 N -7.36 0.76 -0.09 2.90 2.96 0.28 -4.05 118.68 114.08 1ue9 s LEU 24 Ca 0.68 0.05 -0.30 0.00 -0.22 0.00 0.00 54.13 54.34 1ue9 s LEU 24 Cb -0.21 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 1ue9 s LEU 24 CO 0.62 -0.17 1.24 -0.44 -1.32 0.00 0.00 176.35 176.28 1ue9 s SER 25 N 1.46 7.00 0.05 3.68 0.01 -1.26 -4.36 113.70 120.27 1ue9 s SER 25 Ca -0.04 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.03 1ue9 s SER 25 Cb -0.13 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1ue9 s SER 25 CO -0.03 -0.66 0.11 -0.76 0.41 0.00 0.00 173.24 172.31 1ue9 s LEU 26 N 2.67 3.97 0.02 2.44 1.43 -1.15 -4.96 118.68 123.10 1ue9 s LEU 26 Ca 0.56 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1ue9 s LEU 26 Cb -0.24 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 1ue9 s LEU 26 CO 0.20 0.20 -0.11 0.00 0.23 0.00 0.00 176.35 176.87 1ue9 s ALA 27 N -1.35 0.90 -0.37 4.21 0.00 -1.26 -0.58 121.76 123.30 1ue9 s ALA 27 Ca 0.29 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1ue9 s ALA 27 Cb -0.12 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1ue9 s ALA 27 CO 0.21 0.16 1.39 -1.25 0.00 0.00 0.00 175.76 176.27 1ue9 s PRO 28 N -0.86 3.68 0.00 0.00 0.04 -1.26 -2.78 135.00 133.81 1ue9 s PRO 28 Ca 0.00 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1ue9 s PRO 28 Cb -0.07 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1ue9 s PRO 28 CO 0.01 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1ue9 n GLY 29 N 4.85 1.58 3.64 0.56 0.00 -1.24 -5.03 105.19 109.56 1ue9 n GLY 29 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.00 2.02 0.01 1.61 -0.21 -1.12 -5.03 119.66 116.94 1ue9 s GLN 30 Ca 0.00 -2.04 0.08 0.00 0.02 0.00 0.00 55.36 53.42 1ue9 s GLN 30 Cb 0.00 -1.73 -0.02 0.00 1.00 0.00 0.00 33.01 32.26 1ue9 s GLN 30 CO 0.00 -0.06 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.37 1ue9 s LEU 31 N -3.75 2.10 0.07 2.90 1.43 -1.26 -3.21 118.68 116.96 1ue9 s LEU 31 Ca 0.36 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1ue9 s LEU 31 Cb 0.08 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1ue9 s LEU 31 CO 0.19 0.25 -0.08 -0.63 0.23 0.00 0.00 176.35 176.31 1ue9 s ILE 32 N -0.66 0.67 -0.27 -0.59 1.01 -1.11 0.14 121.20 120.39 1ue9 s ILE 32 Ca 0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 60.65 59.28 1ue9 s ILE 32 Cb -0.09 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1ue9 s ILE 32 CO 0.00 -0.54 0.02 -0.22 0.00 0.00 0.00 174.94 174.21 1ue9 s LEU 33 N -2.13 3.54 0.00 2.97 2.96 0.51 -1.84 118.68 124.70 1ue9 s LEU 33 Ca -0.01 -0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 52.88 1ue9 s LEU 33 Cb -0.05 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1ue9 s LEU 33 CO -0.01 -0.15 1.57 -0.63 -1.32 0.00 0.00 176.35 175.81 1ue9 s ILE 34 N 1.45 3.45 -0.10 6.68 -1.09 0.13 0.57 121.20 132.29 1ue9 s ILE 34 Ca 0.02 0.76 0.05 0.00 -2.23 0.00 0.00 60.65 59.25 1ue9 s ILE 34 Cb -0.17 -3.49 -0.10 0.00 -1.58 0.00 0.00 42.46 37.13 1ue9 s ILE 34 CO -0.00 -0.03 -0.02 0.18 -1.23 0.00 0.00 174.94 173.84 1ue9 n LEU 35 N 6.11 1.17 -3.83 2.97 4.77 0.11 -4.22 117.00 124.08 1ue9 n LEU 35 Ca 0.16 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 1ue9 n LEU 35 Cb 0.42 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1ue9 n LEU 35 CO 0.61 0.40 -0.08 -0.75 -1.33 0.00 0.00 177.39 176.25 1ue9 s LYS 36 N -2.22 0.68 0.22 3.23 2.47 0.48 -4.96 119.74 119.64 1ue9 s LYS 36 Ca -0.09 -0.54 0.05 0.00 -1.56 0.00 0.00 55.97 53.84 1ue9 s LYS 36 Cb 0.03 0.28 -0.05 0.00 -1.46 0.00 0.00 37.83 36.64 1ue9 s LYS 36 CO 0.32 -0.19 -0.07 0.15 0.16 0.00 0.00 175.35 175.72 1ue9 s LYS 37 N -2.28 1.32 0.04 4.03 1.02 -1.26 0.11 119.74 122.71 1ue9 s LYS 37 Ca -0.07 -1.63 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1ue9 s LYS 37 Cb -0.02 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 1ue9 s LYS 37 CO -0.02 0.03 -0.05 1.21 -0.92 0.00 0.00 175.35 175.60 1ue9 s ASN 38 N -3.31 0.53 0.31 2.83 2.47 -0.64 -4.90 114.94 112.23 1ue9 s ASN 38 Ca 0.25 -0.64 0.07 0.00 0.42 0.00 0.00 52.86 52.96 1ue9 s ASN 38 Cb 0.03 0.10 0.52 0.00 -1.45 0.00 0.00 41.25 40.45 1ue9 s ASN 38 CO 0.07 -0.34 1.74 0.71 -3.72 0.00 0.00 177.10 175.56 1ue9 h THR 39 N 4.21 1.28 -0.41 -5.21 1.35 -2.02 -2.92 112.91 109.19 1ue9 h THR 39 Ca -0.34 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 1ue9 h THR 39 Cb 1.19 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 69.18 1ue9 h THR 39 CO 0.47 0.41 0.20 -1.28 -0.25 0.00 0.00 175.52 175.08 1ue9 h SER 40 N 0.21 0.52 0.00 5.36 0.87 -2.04 -3.46 113.55 115.01 1ue9 h SER 40 Ca 0.02 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1ue9 h SER 40 Cb 0.73 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ue9 h SER 40 CO 0.06 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.45 1ue9 n GLY 41 N -0.92 0.64 3.70 5.77 0.00 -1.10 -5.07 105.19 108.21 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 3.18 0.00 1.61 0.52 -1.26 -1.84 118.94 121.15 1ue9 s TRP 42 Ca 0.00 1.11 0.06 0.00 0.02 0.00 0.00 56.10 57.29 1ue9 s TRP 42 Cb 0.00 -3.51 -0.03 0.00 -1.15 0.00 0.00 33.47 28.78 1ue9 s TRP 42 CO 0.00 -1.70 -0.16 -1.58 0.02 0.00 0.00 176.95 173.53 1ue9 s TRP 43 N 1.80 2.62 -0.47 -1.98 0.52 0.45 -1.62 118.94 120.26 1ue9 s TRP 43 Ca 0.60 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.46 1ue9 s TRP 43 Cb -0.29 -1.53 0.12 0.00 -1.15 0.00 0.00 33.47 30.62 1ue9 s TRP 43 CO 0.26 0.22 0.28 -1.14 0.02 0.00 0.00 176.95 176.59 1ue9 s GLN 44 N -1.15 2.20 0.10 4.98 0.74 0.31 0.00 119.66 126.86 1ue9 s GLN 44 Ca 0.14 -1.96 0.01 0.00 0.05 0.00 0.00 55.36 53.59 1ue9 s GLN 44 Cb -0.11 -3.68 -0.00 0.00 1.10 0.00 0.00 33.01 30.32 1ue9 s GLN 44 CO 0.03 -1.12 0.04 0.41 -0.55 0.00 0.00 175.29 174.11 1ue9 n GLY 45 N 4.41 3.87 3.08 2.59 0.00 -1.15 0.18 105.19 118.17 1ue9 n GLY 45 Ca -0.01 -1.95 -0.24 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 -2.40 1.52 0.32 1.61 2.12 0.19 -2.84 118.70 119.23 1ue9 s GLU 46 Ca 0.06 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1ue9 s GLU 46 Cb 0.00 -1.33 -0.10 0.00 0.26 0.00 0.00 34.13 32.96 1ue9 s GLU 46 CO 0.04 0.17 1.22 -1.17 -0.54 0.00 0.00 175.26 174.98 1ue9 s LEU 47 N 0.19 4.44 -0.82 2.70 2.96 0.87 0.19 118.68 129.22 1ue9 s LEU 47 Ca -0.05 2.50 0.02 0.00 -0.22 0.00 0.00 54.13 56.38 1ue9 s LEU 47 Cb -0.11 -3.69 0.30 0.00 0.50 0.00 0.00 46.19 43.19 1ue9 s LEU 47 CO 0.02 -0.41 1.19 0.00 -1.32 0.00 0.00 176.35 175.82 1ue9 n GLN 48 N 0.85 3.75 -3.77 1.98 1.13 0.38 -4.47 117.38 117.22 1ue9 n GLN 48 Ca 0.00 -4.69 -0.10 0.00 -1.94 0.00 0.00 57.00 50.28 1ue9 n GLN 48 Cb 0.43 -2.36 -0.06 0.00 0.11 0.00 0.00 30.24 28.37 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 -3.12 -0.57 0.18 -1.58 0.00 -1.26 -4.54 121.76 110.87 1ue9 s ALA 49 Ca 0.39 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 1ue9 s ALA 49 Cb 0.16 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 1ue9 s ALA 49 CO -0.03 -0.64 1.43 0.50 0.00 0.00 0.00 175.76 177.02 1ue9 s ARG 50 N -3.86 4.30 0.04 0.00 6.06 -1.26 -4.87 118.95 119.34 1ue9 s ARG 50 Ca 0.08 2.20 -0.29 0.00 -2.50 0.00 0.00 55.73 55.22 1ue9 s ARG 50 Cb 0.02 -3.17 0.10 0.00 0.06 0.00 0.00 34.95 31.96 1ue9 s ARG 50 CO -0.08 -0.43 1.11 0.20 -2.50 0.00 0.00 175.30 173.61 1ue9 s GLY 51 N 0.73 -0.34 0.11 8.12 0.00 -1.26 -5.05 107.32 109.64 1ue9 s GLY 51 Ca 0.63 0.58 -0.28 0.00 0.00 0.00 0.00 44.72 45.65 1ue9 s GLY 51 CO 0.36 0.13 1.47 1.70 0.00 0.00 0.00 173.10 176.76 1ue9 h LYS 52 N 2.00 -0.29 -4.24 2.90 1.63 -2.06 -3.41 116.57 113.10 1ue9 h LYS 52 Ca -0.25 0.02 -0.36 0.00 -0.85 0.00 0.00 60.65 59.20 1ue9 h LYS 52 Cb 1.21 0.07 -0.31 0.00 -0.60 0.00 0.00 32.23 32.60 1ue9 h LYS 52 CO 0.27 -0.19 -0.76 0.15 -3.45 0.00 0.00 179.45 175.46 1ue9 s LYS 53 N -5.24 0.60 -0.75 1.90 -0.14 -1.26 -5.06 119.74 109.78 1ue9 s LYS 53 Ca -0.12 -0.16 -0.35 0.00 -1.36 0.00 0.00 55.97 53.97 1ue9 s LYS 53 Cb 0.07 -0.60 -0.19 0.00 -1.68 0.00 0.00 37.83 35.43 1ue9 s LYS 53 CO 0.52 0.05 2.46 0.54 -0.76 0.00 0.00 175.35 178.16 1ue9 n ARG 54 N 3.37 0.14 -1.68 1.68 1.74 -1.26 -4.77 116.66 115.88 1ue9 n ARG 54 Ca -0.18 0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.47 1ue9 n ARG 54 Cb 0.55 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 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 8.17 2.30 -3.67 5.56 3.00 -1.26 -4.85 117.38 126.63 1ue9 n GLN 55 Ca 0.59 0.83 -0.09 0.00 -0.01 0.00 0.00 57.00 58.32 1ue9 n GLN 55 Cb 0.05 -2.62 -0.09 0.00 0.00 0.00 0.00 30.24 27.58 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 1.03 0.50 0.00 -1.09 2.36 -1.26 -0.09 119.74 121.19 1ue9 s LYS 56 Ca 0.78 0.98 0.00 0.00 -2.55 0.00 0.00 55.97 55.18 1ue9 s LYS 56 Cb -0.64 0.10 0.00 0.00 -1.05 0.00 0.00 37.83 36.24 1ue9 s LYS 56 CO 0.37 -0.17 0.00 0.41 1.55 0.00 0.00 175.35 177.51 1ue9 n GLY 57 N 4.44 -1.28 3.82 5.54 0.00 -1.13 -4.77 105.19 111.81 1ue9 n GLY 57 Ca -0.20 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.89 3.67 0.09 1.61 0.52 0.27 -2.93 118.94 119.28 1ue9 s TRP 58 Ca 0.00 0.89 -0.14 0.00 0.02 0.00 0.00 56.10 56.87 1ue9 s TRP 58 Cb 0.00 -2.26 0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1ue9 s TRP 58 CO 0.00 0.59 0.32 -0.59 0.02 0.00 0.00 176.95 177.29 1ue9 s PHE 59 N -0.81 -0.09 0.09 -1.98 -0.12 0.10 -0.56 117.98 114.62 1ue9 s PHE 59 Ca 0.22 -0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 56.60 1ue9 s PHE 59 Cb -0.16 0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.31 1ue9 s PHE 59 CO 0.11 -0.61 1.15 -1.25 -0.05 0.00 0.00 175.22 174.58 1ue9 s PRO 60 N -3.45 4.49 0.11 1.99 0.04 -1.26 0.17 135.00 137.08 1ue9 s PRO 60 Ca 0.01 1.73 0.21 0.00 0.04 0.00 0.00 61.00 63.00 1ue9 s PRO 60 Cb 0.02 -3.33 0.87 0.00 0.04 0.00 0.00 34.50 32.09 1ue9 s PRO 60 CO -0.09 -0.15 1.67 0.00 0.04 0.00 0.00 177.00 178.47 1ue9 n ALA 61 N 3.46 1.87 0.50 8.56 0.00 -0.77 -2.10 120.51 132.03 1ue9 n ALA 61 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1ue9 n ALA 61 Cb 0.47 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 19.01 1ue9 n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ue9 n SER 62 N -1.83 0.53 0.07 0.00 7.64 -1.26 -1.93 113.62 116.83 1ue9 n SER 62 Ca 0.04 0.61 0.10 0.00 1.01 0.00 0.00 58.87 60.63 1ue9 n SER 62 Cb 0.25 -0.73 -0.05 0.00 -1.01 0.00 0.00 64.21 62.68 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 -2.06 0.71 -4.71 1.43 -0.00 -0.89 -4.82 115.22 104.89 1ue9 n HIS 63 Ca 0.03 0.21 -0.31 0.00 -0.00 0.00 0.00 57.72 57.65 1ue9 n HIS 63 Cb 0.26 -0.85 -0.09 0.00 -0.00 0.00 0.00 29.99 29.31 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 -3.37 1.46 -0.02 1.59 -7.23 -0.81 0.17 120.40 112.18 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 0.11 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1ue9 s VAL 64 CO 0.82 0.00 -0.02 -1.59 -0.31 0.00 0.00 175.10 174.00 1ue9 s LYS 65 N -3.82 0.40 0.22 4.82 -2.85 0.81 -4.74 119.74 114.58 1ue9 s LYS 65 Ca 0.16 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 54.81 1ue9 s LYS 65 Cb 0.05 -0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 35.23 1ue9 s LYS 65 CO 0.08 -0.06 1.40 -0.51 0.10 0.00 0.00 175.35 176.36 1ue9 s LEU 66 N 0.68 4.40 -0.06 2.77 1.43 -1.26 -0.33 118.68 126.30 1ue9 s LEU 66 Ca -0.07 2.54 0.13 0.00 -1.03 0.00 0.00 54.13 55.70 1ue9 s LEU 66 Cb -0.10 -3.61 0.49 0.00 0.03 0.00 0.00 46.19 42.99 1ue9 s LEU 66 CO -0.01 -0.64 1.36 0.18 0.23 0.00 0.00 176.35 177.47 1ue9 n LEU 67 N 2.66 3.25 0.00 1.79 4.77 -1.00 -4.90 117.00 123.57 1ue9 n LEU 67 Ca 0.07 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1ue9 n LEU 67 Cb 0.41 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1ue9 n LEU 67 CO 0.59 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1ue9 n GLY 68 N 0.98 -0.62 3.76 -0.72 0.00 -1.26 -4.76 105.19 102.57 1ue9 n GLY 68 Ca 0.18 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 4.56 -0.52 1.61 0.04 -1.26 -4.71 135.00 134.72 1ue9 s PRO 69 Ca 0.00 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1ue9 s PRO 69 Cb 0.00 -3.07 0.15 0.00 0.04 0.00 0.00 34.50 31.62 1ue9 s PRO 69 CO 0.00 0.17 0.32 0.45 0.04 0.00 0.00 177.00 177.98 1ue9 s SER 70 N -1.05 3.82 -0.06 6.66 0.15 -1.26 -5.09 113.70 116.88 1ue9 s SER 70 Ca 0.47 -3.08 0.01 0.00 0.70 0.00 0.00 55.95 54.05 1ue9 s SER 70 Cb -0.29 -1.24 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 1ue9 s SER 70 CO 0.37 -0.20 -0.07 -0.55 1.20 0.00 0.00 173.24 174.00 1ue9 s SER 71 N -0.29 4.67 -0.09 5.45 0.15 -1.26 -5.02 113.70 117.32 1ue9 s SER 71 Ca 0.21 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.54 1ue9 s SER 71 Cb -0.16 -1.17 -0.07 0.00 -1.71 0.00 0.00 66.02 62.90 1ue9 s SER 71 CO -0.07 0.35 2.09 -1.84 1.20 0.00 0.00 173.24 174.98 1ue9 n GLU 72 N 2.14 2.43 -4.28 5.44 0.28 -1.26 -4.95 120.64 120.44 1ue9 n GLU 72 Ca -0.18 0.81 -0.26 0.00 -0.16 0.00 0.00 57.16 57.36 1ue9 n GLU 72 Cb 0.53 -3.10 -0.17 0.00 1.43 0.00 0.00 31.44 30.13 1ue9 n GLU 72 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1ue9 s ARG 73 N 5.34 1.76 0.11 3.44 0.52 -1.26 -5.13 118.95 123.73 1ue9 s ARG 73 Ca 0.95 -0.39 0.09 0.00 -0.52 0.00 0.00 55.73 55.86 1ue9 s ARG 73 Cb -0.40 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 1ue9 s ARG 73 CO 0.39 -0.11 -0.22 0.00 0.02 0.00 0.00 175.30 175.38 1ue9 s ALA 74 N 1.15 1.93 -0.29 2.13 0.00 -1.26 -5.13 121.76 120.28 1ue9 s ALA 74 Ca -0.05 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 1ue9 s ALA 74 Cb -0.14 -0.28 0.17 0.00 0.00 0.00 0.00 23.12 22.87 1ue9 s ALA 74 CO -0.02 0.40 1.19 -1.12 0.00 0.00 0.00 175.76 176.20 1ue9 s SER 75 N -1.91 -0.26 0.50 0.00 0.01 -1.26 -5.16 113.70 105.63 1ue9 s SER 75 Ca 0.08 0.45 -0.22 0.00 1.31 0.00 0.00 55.95 57.57 1ue9 s SER 75 Cb -0.10 0.79 -0.06 0.00 0.21 0.00 0.00 66.02 66.86 1ue9 s SER 75 CO 0.04 -0.07 1.26 -0.83 0.41 0.00 0.00 173.24 174.05 1ue9 s GLY 76 N 0.67 2.83 1.03 3.44 0.00 -1.26 -5.02 107.32 109.02 1ue9 s GLY 76 Ca -0.02 1.13 -0.16 0.00 0.00 0.00 0.00 44.72 45.67 1ue9 s GLY 76 CO -0.12 1.62 1.20 2.56 0.00 0.00 0.00 173.10 178.35 1ue9 s PRO 77 N -2.79 0.11 0.09 2.90 0.04 -1.26 -5.10 135.00 129.00 1ue9 s PRO 77 Ca 0.67 -0.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 1ue9 s PRO 77 Cb -0.34 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1ue9 s PRO 77 CO 0.41 -2.82 0.40 -1.12 0.04 0.00 0.00 177.00 173.91 1ue9 s SER 78 N -4.30 -0.24 0.19 6.66 0.01 -1.26 -5.18 113.70 109.58 1ue9 s SER 78 Ca 0.70 -0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.52 1ue9 s SER 78 Cb -0.09 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.64 1ue9 s SER 78 CO 0.54 -0.77 0.77 -0.94 0.41 0.00 0.00 173.24 173.25 1ue9 s SER 79 N -2.50 -0.32 0.00 2.44 1.04 -1.26 -5.35 113.70 107.76 1ue9 s SER 79 Ca -0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1ue9 s SER 79 Cb 0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1ue9 s SER 79 CO -0.08 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.68