#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjr n VAL 45 N 0.00 0.00 0.40 -0.18 0.31 -1.26 -3.28 118.33 114.32 1jjr n VAL 45 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1jjr n VAL 45 Cb 0.00 -0.48 0.48 0.00 -0.91 0.00 0.00 33.84 32.94 1jjr n VAL 45 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1jjr h GLU 46 N 0.00 0.00 -4.77 5.55 4.81 -2.04 -3.47 114.58 114.66 1jjr h GLU 46 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1jjr h GLU 46 Cb 0.00 0.00 0.14 0.00 0.63 0.00 0.00 28.75 29.52 1jjr h GLU 46 CO 0.00 0.00 -0.61 0.66 -0.73 0.00 0.00 179.01 178.33 1jjr n TYR 47 N -2.54 -1.73 -0.04 0.92 4.01 -1.20 -4.77 117.16 111.80 1jjr n TYR 47 Ca 0.03 0.67 -0.14 0.00 -0.16 0.00 0.00 57.90 58.30 1jjr n TYR 47 Cb 0.33 -4.00 -0.09 0.00 -0.31 0.00 0.00 39.34 35.26 1jjr n TYR 47 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1jjr h SER 48 N -1.11 0.30 0.00 7.72 4.64 -1.92 -3.44 113.55 119.75 1jjr h SER 48 Ca -0.45 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.29 1jjr h SER 48 Cb 1.24 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1jjr h SER 48 CO 0.35 0.83 0.00 1.21 -0.87 0.00 0.00 176.83 178.35 1jjr n GLU 49 N -4.55 0.00 0.22 4.77 2.13 -1.26 -4.92 120.64 117.03 1jjr n GLU 49 Ca -0.08 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.58 1jjr n GLU 49 Cb 0.41 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.03 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1jjr h GLU 50 N 0.00 -0.81 -0.94 5.31 -0.00 -1.96 1.07 114.58 117.24 1jjr h GLU 50 Ca 0.00 0.06 0.03 0.00 -0.00 0.00 0.00 59.36 59.44 1jjr h GLU 50 Cb 0.00 0.18 -0.05 0.00 -0.00 0.00 0.00 28.75 28.88 1jjr h GLU 50 CO 0.00 -0.54 0.62 1.49 -0.00 0.00 0.00 179.01 180.58 1jjr h GLU 51 N -0.84 1.17 0.23 1.06 4.57 -1.95 -0.11 114.58 118.72 1jjr h GLU 51 Ca -0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1jjr h GLU 51 Cb 0.77 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1jjr h GLU 51 CO -0.13 0.78 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.30 1jjr h LEU 52 N 1.21 -0.26 -0.46 1.64 3.38 -1.72 0.33 115.31 119.43 1jjr h LEU 52 Ca 0.37 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.40 1jjr h LEU 52 Cb -0.03 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1jjr h LEU 52 CO -0.10 -0.17 0.12 0.50 0.09 0.00 0.00 178.44 178.87 1jjr h LYS 53 N -0.33 0.26 -0.62 1.13 3.11 0.17 0.28 116.57 120.58 1jjr h LYS 53 Ca -0.03 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1jjr h LYS 53 Cb 0.25 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.38 1jjr h LYS 53 CO 0.05 0.17 0.39 1.15 -2.81 0.00 0.00 179.45 178.41 1jjr h THR 54 N 0.27 1.10 -0.09 1.00 2.02 -0.74 0.93 112.91 117.40 1jjr h THR 54 Ca 0.22 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1jjr h THR 54 Cb 0.26 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1jjr h THR 54 CO -0.26 0.14 0.00 0.45 0.37 0.00 0.00 175.52 176.22 1jjr h HIS 55 N 0.78 -0.00 -0.28 3.16 3.86 0.96 -1.79 115.15 121.85 1jjr h HIS 55 Ca 0.24 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.49 1jjr h HIS 55 Cb -0.02 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1jjr h HIS 55 CO -0.05 -0.01 0.09 0.82 0.86 0.00 0.00 177.93 179.65 1jjr h ILE 56 N 0.04 0.92 0.13 2.45 2.04 0.01 0.44 117.51 123.55 1jjr h ILE 56 Ca 0.04 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1jjr h ILE 56 Cb 0.05 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1jjr h ILE 56 CO -0.07 0.04 -0.22 -1.28 0.00 0.00 0.00 178.15 176.62 1jjr h SER 57 N 0.22 -0.65 -0.87 1.72 0.87 -0.50 -2.87 113.55 111.48 1jjr h SER 57 Ca 0.12 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1jjr h SER 57 Cb 0.09 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1jjr h SER 57 CO -0.13 -0.26 0.53 0.11 -0.53 0.00 0.00 176.83 176.55 1jjr h LYS 58 N -0.38 1.17 0.00 2.24 1.57 -1.32 -3.47 116.57 116.39 1jjr h LYS 58 Ca -0.01 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1jjr h LYS 58 Cb 0.35 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1jjr h LYS 58 CO -0.08 0.81 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 1jjr n GLY 59 N -1.29 1.72 0.01 3.86 0.00 0.12 -5.01 105.19 104.61 1jjr n GLY 59 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1jjr n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jjr n THR 60 N -0.71 0.05 0.23 2.61 -2.24 0.92 -4.19 114.28 110.95 1jjr n THR 60 Ca 0.00 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1jjr n THR 60 Cb 0.00 0.50 0.73 0.00 -2.10 0.00 0.00 70.33 69.45 1jjr n THR 60 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jjr h LEU 61 N 0.00 0.00 -1.23 3.22 7.12 -1.73 0.87 115.31 123.56 1jjr h LEU 61 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jjr h LEU 61 Cb 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1jjr h LEU 61 CO 0.00 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.92 1jjr n GLY 62 N -1.49 0.76 0.13 3.75 0.00 -1.26 -3.94 105.19 103.15 1jjr n GLY 62 Ca -0.01 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1jjr n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jjr n LYS 63 N 0.23 0.63 -1.44 1.61 4.81 0.30 -4.95 118.16 119.34 1jjr n LYS 63 Ca 0.09 0.31 -0.43 0.00 -0.87 0.00 0.00 58.31 57.41 1jjr n LYS 63 Cb 0.33 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.78 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1jjr n PHE 64 N -3.90 -0.54 -0.58 5.64 3.72 -1.25 -4.98 117.46 115.57 1jjr n PHE 64 Ca -0.43 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1jjr n PHE 64 Cb 0.90 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.45 1jjr n PHE 64 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jjr n THR 65 N -0.71 0.00 0.03 4.37 -2.24 -1.26 -4.81 114.28 109.66 1jjr n THR 65 Ca 0.12 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.83 1jjr n THR 65 Cb 0.38 -1.41 -0.05 0.00 -2.10 0.00 0.00 70.33 67.14 1jjr n THR 65 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jjr h VAL 66 N -1.11 0.52 -0.99 2.28 2.07 -1.92 -2.15 116.25 114.95 1jjr h VAL 66 Ca 0.00 -1.15 0.25 0.00 0.82 0.00 0.00 66.70 66.62 1jjr h VAL 66 Cb 0.00 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 1jjr h VAL 66 CO 0.00 0.16 0.65 1.55 0.02 0.00 0.00 177.57 179.95 1jjr h PRO 67 N -0.99 0.33 0.10 1.57 0.13 -1.97 0.20 132.00 131.37 1jjr h PRO 67 Ca -0.02 -0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.83 1jjr h PRO 67 Cb 0.39 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 1jjr h PRO 67 CO 0.03 0.22 -1.20 0.52 -0.23 0.00 0.00 178.00 177.34 1jjr h MET 68 N 0.34 0.21 -0.78 0.86 2.86 -1.94 -3.30 114.93 113.19 1jjr h MET 68 Ca 0.53 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1jjr h MET 68 Cb 1.44 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 33.20 1jjr h MET 68 CO -0.21 1.17 0.44 -0.07 1.06 0.00 0.00 176.91 179.30 1jjr h LEU 69 N 0.06 0.96 -1.24 1.22 3.38 0.04 -2.36 115.31 117.37 1jjr h LEU 69 Ca -0.11 -0.09 0.22 0.00 0.09 0.00 0.00 57.88 57.99 1jjr h LEU 69 Cb 1.93 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 42.34 1jjr h LEU 69 CO 0.19 0.77 0.62 0.50 0.09 0.00 0.00 178.44 180.61 1jjr h LYS 70 N 1.07 0.55 0.49 1.13 1.63 -1.32 -1.19 116.57 118.93 1jjr h LYS 70 Ca 0.27 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1jjr h LYS 70 Cb 0.02 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1jjr h LYS 70 CO -0.05 0.36 -0.40 0.93 -3.45 0.00 0.00 179.45 176.84 1jjr h GLU 71 N 0.57 -0.85 -0.63 1.90 4.39 -1.56 0.37 114.58 118.76 1jjr h GLU 71 Ca 0.56 0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.36 1jjr h GLU 71 Cb 1.14 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.94 1jjr h GLU 71 CO -0.31 -0.57 0.36 0.00 -1.16 0.00 0.00 179.01 177.33 1jjr h ALA 72 N -0.56 0.83 -0.72 3.43 0.00 -1.40 -1.19 119.26 119.64 1jjr h ALA 72 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jjr h ALA 72 Cb 0.76 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1jjr h ALA 72 CO -0.01 0.06 0.46 0.00 0.00 0.00 0.00 179.25 179.76 1jjr h ARG 74 N 0.98 0.85 0.04 0.00 3.08 0.93 1.10 114.38 121.37 1jjr h ARG 74 Ca 0.26 -0.13 -0.22 0.00 0.07 0.00 0.00 59.98 59.96 1jjr h ARG 74 Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1jjr h ARG 74 CO -0.05 0.69 -1.03 0.00 -1.07 0.00 0.00 179.97 178.51 1jjr h ALA 75 N 1.42 0.33 0.00 0.04 0.00 -0.68 -3.27 119.26 117.11 1jjr h ALA 75 Ca 0.20 -0.85 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 1jjr h ALA 75 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jjr h ALA 75 CO -0.02 1.07 -0.91 1.88 0.00 0.00 0.00 179.25 181.27 1jjr h TYR 76 N 0.05 0.00 0.00 0.00 -1.99 -0.40 -3.48 116.97 111.14 1jjr h TYR 76 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1jjr h TYR 76 Cb 1.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.48 1jjr h TYR 76 CO 0.03 0.60 0.00 0.41 -0.00 0.00 0.00 178.16 179.20 1jjr n GLY 77 N 1.31 0.47 3.93 3.88 0.00 0.38 -5.06 105.19 110.09 1jjr n GLY 77 Ca -0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1jjr n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jjr s LEU 78 N 0.00 2.69 -0.22 0.99 1.43 -0.90 -5.03 118.68 117.63 1jjr s LEU 78 Ca 0.00 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 1jjr s LEU 78 Cb 0.00 -2.56 -0.11 0.00 0.03 0.00 0.00 46.19 43.55 1jjr s LEU 78 CO 0.00 -2.41 -0.23 1.17 0.23 0.00 0.00 176.35 175.11 1jjr n LYS 79 N -3.55 0.55 0.00 1.70 0.00 -1.26 -4.84 118.16 110.76 1jjr n LYS 79 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.78 1jjr n LYS 79 Cb 0.60 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 34.08 1jjr n LYS 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1jjr n SER 80 N -4.38 -1.34 0.00 3.14 3.41 -1.26 -5.00 113.62 108.18 1jjr n SER 80 Ca -0.34 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1jjr n SER 80 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jjr n GLY 81 N 0.00 2.56 0.15 5.00 0.00 -1.26 -5.00 105.19 106.64 1jjr n GLY 81 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1jjr n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jjr n LEU 82 N 0.00 0.00 -0.32 0.99 4.32 -1.26 -4.89 117.00 115.84 1jjr n LEU 82 Ca 0.00 -0.54 0.05 0.00 -0.02 0.00 0.00 56.01 55.50 1jjr n LEU 82 Cb 0.00 0.00 0.21 0.00 -1.62 0.00 0.00 43.42 42.01 1jjr n LEU 82 CO 0.00 0.46 0.65 1.17 -1.22 0.00 0.00 177.39 178.45 1jjr n LYS 83 N 0.00 1.41 0.00 3.23 4.81 -1.26 -4.95 118.16 121.40 1jjr n LYS 83 Ca 0.00 -0.63 0.00 0.00 -0.87 0.00 0.00 58.31 56.81 1jjr n LYS 83 Cb 0.52 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.36 1jjr n LYS 83 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jjr n LYS 84 N -0.05 0.00 -0.34 1.64 4.81 -1.26 -4.08 118.16 118.89 1jjr n LYS 84 Ca 0.09 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.72 1jjr n LYS 84 Cb 0.17 0.00 0.40 0.00 0.02 0.00 0.00 35.03 35.62 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1jjr h GLN 85 N 0.00 0.46 -0.35 1.64 4.15 -1.92 0.93 115.11 120.02 1jjr h GLN 85 Ca 0.00 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1jjr h GLN 85 Cb 0.00 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.52 1jjr h GLN 85 CO 0.00 0.31 -0.07 1.49 -1.93 0.00 0.00 178.83 178.63 1jjr h GLU 86 N 0.48 0.02 -0.04 1.69 4.57 -1.97 0.88 114.58 120.21 1jjr h GLU 86 Ca 0.66 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1jjr h GLU 86 Cb 1.33 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1jjr h GLU 86 CO -0.52 0.01 0.02 -0.07 -1.18 0.00 0.00 179.01 177.27 1jjr h LEU 87 N 0.02 0.05 -0.33 1.64 3.38 -1.19 -0.23 115.31 118.64 1jjr h LEU 87 Ca 0.17 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1jjr h LEU 87 Cb 0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1jjr h LEU 87 CO -0.35 0.10 -0.12 -0.07 0.09 0.00 0.00 178.44 178.09 1jjr h LEU 88 N -0.00 -0.41 -0.10 1.67 3.38 -0.42 -0.39 115.31 119.04 1jjr h LEU 88 Ca 0.01 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1jjr h LEU 88 Cb 0.06 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1jjr h LEU 88 CO -0.00 -0.15 -0.18 -0.08 0.09 0.00 0.00 178.44 178.12 1jjr h GLU 89 N -0.05 -0.23 -0.93 1.13 4.81 0.11 0.28 114.58 119.71 1jjr h GLU 89 Ca 0.16 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.58 1jjr h GLU 89 Cb 0.30 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 1jjr h GLU 89 CO -0.37 -0.15 0.51 0.00 -0.73 0.00 0.00 179.01 178.27 1jjr h ALA 90 N 0.76 1.47 0.62 2.92 0.00 -0.26 0.78 119.26 125.55 1jjr h ALA 90 Ca 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1jjr h ALA 90 Cb 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jjr h ALA 90 CO -0.24 -0.09 -0.30 -0.07 0.00 0.00 0.00 179.25 178.55 1jjr h LEU 91 N 0.67 -0.70 -0.15 0.00 3.38 0.20 -1.94 115.31 116.76 1jjr h LEU 91 Ca 0.53 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.57 1jjr h LEU 91 Cb 0.81 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1jjr h LEU 91 CO -0.39 -0.38 -0.40 0.74 0.09 0.00 0.00 178.44 178.10 1jjr h THR 92 N -1.07 0.17 -1.11 0.22 2.02 0.09 0.17 112.91 113.40 1jjr h THR 92 Ca -0.08 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.40 1jjr h THR 92 Cb 0.64 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1jjr h THR 92 CO 0.14 0.00 0.75 0.11 0.37 0.00 0.00 175.52 176.89 1jjr h LYS 93 N -0.46 0.19 0.00 6.66 1.57 0.49 1.24 116.57 126.26 1jjr h LYS 93 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jjr h LYS 93 Cb 0.61 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jjr h LYS 93 CO -0.40 0.13 0.00 1.25 -0.57 0.00 0.00 179.45 179.86 1jjr h HIS 94 N 0.20 0.00 -0.13 -1.35 2.76 0.17 -3.26 115.15 113.53 1jjr h HIS 94 Ca 0.59 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.57 1jjr h HIS 94 Cb 1.89 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 30.55 1jjr h HIS 94 CO -0.00 0.00 -0.79 1.19 -1.30 0.00 0.00 177.93 177.03 1jjr n PHE 95 N -2.37 0.03 -1.15 5.26 3.72 0.35 -5.09 117.46 118.21 1jjr n PHE 95 Ca 0.02 -1.22 -0.24 0.00 -0.05 0.00 0.00 57.45 55.97 1jjr n PHE 95 Cb 0.27 0.25 0.19 0.00 -0.94 0.00 0.00 39.48 39.25 1jjr n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jjr n GLN 96 N -0.29 -2.28 0.00 -1.08 10.64 0.31 -4.97 117.38 119.71 1jjr n GLN 96 Ca -0.04 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 53.67 1jjr n GLN 96 Cb 0.91 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 29.04 1jjr n GLN 96 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76