#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LYS 2 N 0.00 0.00 0.00 0.03 4.76 -1.26 -4.69 118.16 117.01 2wrj n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wrj n LYS 2 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrj n LYS 2 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wrj n GLU 3 N 0.00 0.00 -1.57 1.97 -0.58 -1.26 -3.78 120.64 115.42 2wrj n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wrj n GLU 3 Cb 0.00 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2wrj n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wrj n GLY 4 N 0.00 0.87 2.69 0.62 0.00 -1.26 -5.04 105.19 103.08 2wrj n GLY 4 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 2wrj n GLY 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wrj n ILE 5 N -1.45 0.03 -4.72 -0.61 -0.00 -1.25 -5.16 119.36 106.20 2wrj n ILE 5 Ca 0.00 -1.45 -0.32 0.00 -0.00 0.00 0.00 62.75 60.98 2wrj n ILE 5 Cb 0.33 0.99 -0.08 0.00 -0.00 0.00 0.00 39.64 40.89 2wrj n ILE 5 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2wrj s HIS 6 N 0.10 1.84 -0.57 4.28 3.76 -1.26 -4.97 115.29 118.47 2wrj s HIS 6 Ca 0.20 -1.03 0.17 0.00 -0.15 0.00 0.00 55.06 54.25 2wrj s HIS 6 Cb 0.41 -1.52 0.80 0.00 1.11 0.00 0.00 32.58 33.38 2wrj s HIS 6 CO -0.09 0.12 1.52 -2.30 -0.85 0.00 0.00 174.74 173.13 2wrj n PRO 7 N -1.20 0.11 0.00 8.40 -0.02 -1.26 -4.85 135.00 136.17 2wrj n PRO 7 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2wrj n PRO 7 Cb 0.67 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2wrj n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrj n LYS 8 N -1.98 0.00 0.00 -0.52 0.00 -1.26 -4.92 118.16 109.47 2wrj n LYS 8 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 2wrj n LYS 8 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.14 2wrj n LYS 8 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2wrj n LEU 9 N 0.00 0.00 0.00 3.14 -0.00 -1.26 -5.10 117.00 113.78 2wrj n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wrj n LEU 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wrj n LEU 9 CO 0.00 0.00 0.00 0.55 -0.00 0.00 0.00 177.39 177.94 2wrj n VAL 10 N 0.99 0.00 -2.01 1.96 3.14 0.79 -4.85 118.33 118.35 2wrj n VAL 10 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 2wrj n VAL 10 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wrj n VAL 10 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2wrj s PRO 11 N -1.89 3.82 0.33 1.45 0.04 -1.26 0.91 135.00 138.40 2wrj s PRO 11 Ca 0.00 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 2wrj s PRO 11 Cb 0.00 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.91 2wrj s PRO 11 CO 0.00 -0.62 0.60 0.00 0.04 0.00 0.00 177.00 177.02 2wrj s ALA 12 N -1.29 -0.10 0.16 8.56 0.00 0.53 -4.44 121.76 125.17 2wrj s ALA 12 Ca 0.60 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2wrj s ALA 12 Cb -0.38 0.96 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 2wrj s ALA 12 CO 0.48 -0.89 -0.10 -0.98 0.00 0.00 0.00 175.76 174.28 2wrj s ARG 13 N -3.09 1.12 0.26 0.00 1.70 -0.80 -2.10 118.95 116.04 2wrj s ARG 13 Ca 0.22 -1.49 0.11 0.00 -0.47 0.00 0.00 55.73 54.10 2wrj s ARG 13 Cb -0.02 -0.68 -0.05 0.00 -0.57 0.00 0.00 34.95 33.63 2wrj s ARG 13 CO 0.14 0.07 -0.18 0.42 -1.08 0.00 0.00 175.30 174.67 2wrj s ILE 14 N -3.30 2.25 -0.25 4.99 1.09 -0.64 -3.50 121.20 121.84 2wrj s ILE 14 Ca 0.19 -2.35 -0.01 0.00 -1.10 0.00 0.00 60.65 57.38 2wrj s ILE 14 Cb 0.02 -2.24 0.08 0.00 -1.06 0.00 0.00 42.46 39.27 2wrj s ILE 14 CO 0.02 -0.45 0.04 -0.63 -0.10 0.00 0.00 174.94 173.83 2wrj s ILE 15 N -2.65 0.91 0.75 2.92 -1.09 -0.55 -4.28 121.20 117.21 2wrj s ILE 15 Ca 0.28 -1.09 -0.07 0.00 -2.23 0.00 0.00 60.65 57.54 2wrj s ILE 15 Cb -0.03 -1.49 0.10 0.00 -1.58 0.00 0.00 42.46 39.45 2wrj s ILE 15 CO 0.13 -0.40 1.06 0.00 -1.23 0.00 0.00 174.94 174.50 2wrj n GLY 17 N -3.05 -0.88 2.27 0.00 0.00 0.14 -4.28 105.19 99.40 2wrj n GLY 17 Ca 0.10 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2wrj n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n GLY 19 N 1.40 1.50 0.00 0.00 0.00 -1.26 -4.94 105.19 101.90 2wrj n GLY 19 Ca 0.19 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2wrj n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wrj n ASN 20 N 5.67 0.00 -3.61 1.61 4.05 -1.26 -4.05 115.26 117.66 2wrj n ASN 20 Ca 0.00 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.74 2wrj n ASN 20 Cb 0.00 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 40.88 2wrj n ASN 20 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2wrj s VAL 21 N 0.00 0.73 0.88 3.44 1.01 -1.26 -2.41 120.40 122.79 2wrj s VAL 21 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.00 2wrj s VAL 21 Cb 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.97 2wrj s VAL 21 CO 0.00 -0.87 1.11 -0.63 0.00 0.00 0.00 175.10 174.71 2wrj s ILE 22 N 1.01 2.58 -0.18 2.22 1.09 -1.26 -4.76 121.20 121.90 2wrj s ILE 22 Ca 0.15 0.19 -0.04 0.00 -1.10 0.00 0.00 60.65 59.85 2wrj s ILE 22 Cb -0.22 -2.44 0.06 0.00 -1.06 0.00 0.00 42.46 38.80 2wrj s ILE 22 CO -0.08 -0.25 0.08 -0.70 -0.10 0.00 0.00 174.94 173.89 2wrj s GLU 23 N -4.76 0.20 0.00 2.79 2.12 -1.26 -1.63 118.70 116.16 2wrj s GLU 23 Ca 0.64 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2wrj s GLU 23 Cb -0.20 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.30 2wrj s GLU 23 CO 0.58 -0.67 0.00 0.25 -0.54 0.00 0.00 175.26 174.88 2wrj n THR 24 N 5.22 0.00 -4.32 -1.70 -2.24 -0.89 -5.02 114.28 105.33 2wrj n THR 24 Ca -0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 2wrj n THR 24 Cb 0.48 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 2wrj n THR 24 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2wrj s TYR 25 N 1.59 1.55 0.00 4.78 1.51 -1.26 -0.35 117.35 125.17 2wrj s TYR 25 Ca 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 2wrj s TYR 25 Cb 0.00 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 2wrj s TYR 25 CO 0.00 -0.30 0.00 -1.13 -1.11 0.00 0.00 175.55 173.01 2wrj n SER 26 N -0.46 0.00 -3.95 2.29 3.41 0.26 -4.78 113.62 110.38 2wrj n SER 26 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.40 2wrj n SER 26 Cb 0.66 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.45 2wrj n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wrj s THR 27 N -1.98 0.66 -0.05 6.66 -1.32 -1.26 0.28 115.64 118.63 2wrj s THR 27 Ca 0.00 -0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.23 2wrj s THR 27 Cb 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 2wrj s THR 27 CO 0.00 0.23 0.01 1.17 -2.21 0.00 0.00 174.62 173.82 2wrj n LYS 28 N 3.62 -0.51 0.18 7.08 3.00 -1.26 -4.89 118.16 125.38 2wrj n LYS 28 Ca -0.21 0.83 0.16 0.00 -0.00 0.00 0.00 58.31 59.09 2wrj n LYS 28 Cb 0.53 -1.69 0.58 0.00 0.00 0.00 0.00 35.03 34.45 2wrj n LYS 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wrj h PRO 29 N 0.44 0.00 -4.90 1.64 0.11 -1.90 -3.40 132.00 123.99 2wrj h PRO 29 Ca 0.00 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.46 2wrj h PRO 29 Cb 0.01 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.93 2wrj h PRO 29 CO 0.02 0.00 -0.55 -1.21 -0.21 0.00 0.00 178.00 176.04 2wrj s GLU 30 N -4.28 3.81 -0.16 1.05 8.01 -1.26 -1.90 118.70 123.96 2wrj s GLU 30 Ca -0.03 -0.40 -0.01 0.00 0.01 0.00 0.00 54.97 54.54 2wrj s GLU 30 Cb 0.10 -3.56 0.04 0.00 -4.31 0.00 0.00 34.13 26.40 2wrj s GLU 30 CO 0.33 -0.21 -0.03 0.42 0.01 0.00 0.00 175.26 175.78 2wrj s ILE 31 N 1.71 0.92 -0.89 -1.63 1.09 -1.23 -5.05 121.20 116.12 2wrj s ILE 31 Ca 0.07 -0.55 -0.15 0.00 -1.10 0.00 0.00 60.65 58.92 2wrj s ILE 31 Cb -0.16 -1.17 0.20 0.00 -1.06 0.00 0.00 42.46 40.28 2wrj s ILE 31 CO 0.08 0.07 0.91 -0.72 -0.10 0.00 0.00 174.94 175.18 2wrj s TYR 32 N 1.71 3.66 0.07 3.97 -0.85 -1.26 -1.49 117.35 123.16 2wrj s TYR 32 Ca 0.01 -1.93 -0.09 0.00 -0.52 0.00 0.00 57.07 54.53 2wrj s TYR 32 Cb -0.15 -3.94 -0.06 0.00 0.38 0.00 0.00 41.96 38.19 2wrj s TYR 32 CO -0.07 -1.11 0.38 0.08 -1.52 0.00 0.00 175.55 173.31 2wrj s VAL 33 N 0.64 5.12 -0.00 -3.49 1.01 -0.05 -4.99 120.40 118.64 2wrj s VAL 33 Ca 0.23 0.41 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 2wrj s VAL 33 Cb -0.09 -3.64 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 2wrj s VAL 33 CO -0.09 0.29 1.01 -0.33 0.00 0.00 0.00 175.10 175.99 2wrj h GLU 34 N 3.73 -0.73 -3.91 2.72 3.07 -1.91 -3.25 114.58 114.30 2wrj h GLU 34 Ca -0.49 0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.28 2wrj h GLU 34 Cb 1.19 0.17 -0.18 0.00 -0.84 0.00 0.00 28.75 29.09 2wrj h GLU 34 CO 0.67 -0.45 -0.58 0.08 -1.40 0.00 0.00 179.01 177.32 2wrj s VAL 35 N -4.33 0.14 0.00 3.13 1.01 -1.26 0.29 120.40 119.38 2wrj s VAL 35 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2wrj s VAL 35 Cb 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2wrj s VAL 35 CO 0.40 -0.65 0.00 0.00 0.00 0.00 0.00 175.10 174.86 2wrj s SER 37 N 1.00 6.48 0.00 0.00 0.01 -1.26 -4.34 113.70 115.58 2wrj s SER 37 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2wrj s SER 37 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2wrj s SER 37 CO 0.00 -0.37 0.00 1.17 0.41 0.00 0.00 173.24 174.45 2wrj n LYS 38 N 5.69 0.00 -3.13 12.44 3.00 -1.26 -5.08 118.16 129.82 2wrj n LYS 38 Ca -0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.84 2wrj n LYS 38 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.52 2wrj n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wrj n HIS 40 N 4.54 0.00 -2.23 0.00 8.25 -1.26 -4.95 115.22 119.57 2wrj n HIS 40 Ca 0.27 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.47 2wrj n HIS 40 Cb 0.43 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.65 2wrj n HIS 40 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2wrj s PRO 41 N 0.00 1.63 0.23 -0.41 0.02 -1.26 -5.22 135.00 130.00 2wrj s PRO 41 Ca 0.00 -0.52 -0.14 0.00 0.02 0.00 0.00 61.00 60.36 2wrj s PRO 41 Cb 0.00 -2.12 0.05 0.00 0.02 0.00 0.00 34.50 32.45 2wrj s PRO 41 CO 0.00 -1.62 0.68 1.97 -0.33 0.00 0.00 177.00 177.71 2wrj n PHE 42 N -3.13 -1.66 0.00 6.54 1.16 -1.26 -5.19 117.46 113.92 2wrj n PHE 42 Ca 0.12 -1.22 0.00 0.00 -1.87 0.00 0.00 57.45 54.48 2wrj n PHE 42 Cb 0.60 0.60 0.00 0.00 -1.61 0.00 0.00 39.48 39.08 2wrj n PHE 42 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 2wrj n TYR 43 N -0.47 0.00 0.00 2.97 4.11 -1.26 -4.97 117.16 117.54 2wrj n TYR 43 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 2wrj n TYR 43 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 2wrj n TYR 43 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2wrj n THR 44 N 0.00 0.00 0.00 -3.48 -2.24 -1.26 -5.03 114.28 102.27 2wrj n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wrj n THR 44 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2wrj n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wrj n GLY 45 N 0.00 -2.15 3.64 3.38 0.00 -1.26 -5.12 105.19 103.68 2wrj n GLY 45 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 2wrj n GLY 45 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wrj s GLN 46 N 0.00 0.29 0.00 1.61 2.00 -1.26 -5.20 119.66 117.10 2wrj s GLN 46 Ca 0.00 0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.80 2wrj s GLN 46 Cb 0.00 0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.90 2wrj s GLN 46 CO 0.00 -0.05 0.00 1.04 -0.50 0.00 0.00 175.29 175.78 2wrj n GLN 47 N 2.94 0.00 0.00 1.67 1.13 -1.26 -5.17 117.38 116.69 2wrj n GLN 47 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 2wrj n GLN 47 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2wrj n GLN 47 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2wrj n ARG 48 N 0.00 0.00 0.00 -1.09 0.63 -1.26 -5.21 116.66 109.73 2wrj n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wrj n ARG 48 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2wrj n ARG 48 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wrj n PHE 49 N 0.00 0.00 0.00 -0.14 3.01 -1.26 -5.15 117.46 113.92 2wrj n PHE 49 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wrj n PHE 49 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2wrj n PHE 49 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2wrj n VAL 50 N -0.21 0.00 0.00 -4.37 0.31 -1.26 -4.90 118.33 107.90 2wrj n VAL 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wrj n VAL 50 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wrj n VAL 50 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wrj n ASP 51 N 0.00 0.00 -0.02 4.52 3.85 -1.26 -4.92 116.55 118.72 2wrj n ASP 51 Ca 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 54.79 54.01 2wrj n ASP 51 Cb 0.00 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 39.88 2wrj n ASP 51 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 2wrj h THR 52 N 0.00 1.29 -3.44 2.12 1.35 -2.09 -3.46 112.91 108.69 2wrj h THR 52 Ca 0.00 -1.51 -0.54 0.00 -0.55 0.00 0.00 66.41 63.81 2wrj h THR 52 Cb 0.00 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 2wrj h THR 52 CO 0.00 0.48 0.21 -1.61 -0.25 0.00 0.00 175.52 174.35 2wrj s GLU 53 N -4.32 4.53 -0.50 4.72 0.41 -1.26 -5.00 118.70 117.28 2wrj s GLU 53 Ca -0.08 1.15 0.06 0.00 -0.41 0.00 0.00 54.97 55.70 2wrj s GLU 53 Cb 0.13 -3.39 0.38 0.00 -1.78 0.00 0.00 34.13 29.46 2wrj s GLU 53 CO 0.82 0.18 1.00 0.41 -0.49 0.00 0.00 175.26 177.19 2wrj n GLY 54 N 2.56 5.45 2.48 -1.39 0.00 -1.26 -4.66 105.19 108.38 2wrj n GLY 54 Ca -0.00 -2.64 -0.11 0.00 0.00 0.00 0.00 46.02 43.27 2wrj n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 55 N -0.30 2.54 -2.43 1.61 3.00 -1.26 -4.92 116.66 114.91 2wrj n ARG 55 Ca 0.33 -3.80 -0.38 0.00 -0.01 0.00 0.00 57.85 53.99 2wrj n ARG 55 Cb 0.53 -1.89 0.02 0.00 0.00 0.00 0.00 32.46 31.12 2wrj n ARG 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2wrj n VAL 56 N -0.62 4.62 0.00 1.55 0.31 -1.26 -4.70 118.33 118.23 2wrj n VAL 56 Ca 0.23 -5.30 0.00 0.00 -0.01 0.00 0.00 64.34 59.26 2wrj n VAL 56 Cb 0.87 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 2wrj n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wrj n GLU 57 N -0.28 0.00 0.00 5.55 4.07 -1.26 -5.28 120.64 123.44 2wrj n GLU 57 Ca 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 2wrj n GLU 57 Cb 0.30 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.68 2wrj n GLU 57 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96