#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 -0.99 -0.18 0.31 -1.26 -5.03 118.33 111.19 1jjr n VAL 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1jjr n VAL 45 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1jjr n VAL 45 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1jjr n GLU 46 N -2.85 -0.40 -3.54 5.55 4.07 -1.26 -3.95 120.64 118.25 1jjr n GLU 46 Ca 0.00 0.10 -0.23 0.00 -0.06 0.00 0.00 57.16 56.97 1jjr n GLU 46 Cb 0.00 -3.40 0.03 0.00 -0.06 0.00 0.00 31.44 28.01 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1jjr n TYR 47 N -2.71 -2.19 0.03 4.31 4.01 -1.26 -4.85 117.16 114.50 1jjr n TYR 47 Ca 0.00 0.68 -0.12 0.00 -0.16 0.00 0.00 57.90 58.30 1jjr n TYR 47 Cb 0.10 -3.51 -0.09 0.00 -0.31 0.00 0.00 39.34 35.54 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 -1.09 -0.13 0.00 7.72 4.64 -1.97 -3.45 113.55 119.27 1jjr h SER 48 Ca -0.52 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 1jjr h SER 48 Cb 1.29 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1jjr h SER 48 CO 0.42 0.44 0.00 -1.84 -0.87 0.00 0.00 176.83 174.98 1jjr n GLU 49 N -4.89 0.00 0.38 4.77 0.28 -1.26 -4.94 120.64 114.98 1jjr n GLU 49 Ca -0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.73 1jjr n GLU 49 Cb 0.28 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.05 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1jjr h GLU 50 N 0.00 -1.09 -0.99 3.44 -0.00 -1.98 1.54 114.58 115.50 1jjr h GLU 50 Ca 0.00 0.07 0.03 0.00 -0.00 0.00 0.00 59.36 59.46 1jjr h GLU 50 Cb 0.00 0.25 -0.05 0.00 -0.00 0.00 0.00 28.75 28.94 1jjr h GLU 50 CO 0.00 -0.73 0.65 1.49 -0.00 0.00 0.00 179.01 180.42 1jjr h GLU 51 N -1.13 1.25 0.16 1.06 4.57 -1.97 -0.21 114.58 118.31 1jjr h GLU 51 Ca -0.09 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1jjr h GLU 51 Cb 0.93 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1jjr h GLU 51 CO 0.04 0.82 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.55 1jjr h LEU 52 N 1.28 -0.18 -0.43 1.64 3.38 -1.83 0.23 115.31 119.41 1jjr h LEU 52 Ca 0.38 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.42 1jjr h LEU 52 Cb -0.06 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1jjr h LEU 52 CO -0.10 -0.12 0.04 0.11 0.09 0.00 0.00 178.44 178.45 1jjr h LYS 53 N -0.22 0.15 -0.55 1.13 1.79 0.28 0.66 116.57 119.81 1jjr h LYS 53 Ca -0.02 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1jjr h LYS 53 Cb 0.17 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1jjr h LYS 53 CO 0.04 0.10 0.31 1.15 -1.08 0.00 0.00 179.45 179.96 1jjr h THR 54 N 0.15 1.01 0.08 -0.16 2.02 -0.73 0.32 112.91 115.59 1jjr h THR 54 Ca 0.21 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jjr h THR 54 Cb 0.29 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1jjr h THR 54 CO -0.32 0.11 -0.05 0.45 0.37 0.00 0.00 175.52 176.08 1jjr h HIS 55 N 0.60 -0.14 -0.57 3.16 3.86 0.11 -2.19 115.15 119.97 1jjr h HIS 55 Ca 0.23 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1jjr h HIS 55 Cb 0.09 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 1jjr h HIS 55 CO -0.08 -0.09 0.30 0.82 0.86 0.00 0.00 177.93 179.74 1jjr h ILE 56 N -0.14 0.95 0.00 2.45 2.04 0.83 -1.09 117.51 122.56 1jjr h ILE 56 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1jjr h ILE 56 Cb 0.12 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1jjr h ILE 56 CO 0.00 0.10 0.00 -1.20 0.00 0.00 0.00 178.15 177.05 1jjr n SER 57 N -4.86 0.00 0.00 1.72 7.64 0.11 -4.19 113.62 114.04 1jjr n SER 57 Ca 0.06 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1jjr n SER 57 Cb 0.16 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1jjr n SER 57 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jjr n LYS 58 N -2.23 0.00 0.00 1.43 5.02 -0.86 -4.98 118.16 116.54 1jjr n LYS 58 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1jjr n LYS 58 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1jjr n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jjr n GLY 59 N -0.28 0.00 0.00 0.72 0.00 -0.45 -5.03 105.19 100.16 1jjr n GLY 59 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 0.27 2.61 -2.24 -0.98 -4.34 114.28 109.60 1jjr n THR 60 Ca 0.00 -0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1jjr n THR 60 Cb 0.00 0.77 0.81 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.51 3.22 7.12 -1.89 0.32 115.31 122.58 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 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 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 -1.41 0.95 0.12 3.75 0.00 -1.26 -4.05 105.19 103.29 1jjr n GLY 62 Ca -0.02 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 0.59 0.62 -1.47 1.61 3.00 0.10 -4.95 118.16 117.66 1jjr n LYS 63 Ca 0.13 0.44 -0.41 0.00 -0.00 0.00 0.00 58.31 58.47 1jjr n LYS 63 Cb 0.37 -1.69 0.01 0.00 0.00 0.00 0.00 35.03 33.72 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1jjr n PHE 64 N -4.11 -0.44 -0.67 5.64 3.72 -1.25 -4.98 117.46 115.37 1jjr n PHE 64 Ca -0.36 0.56 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1jjr n PHE 64 Cb 0.82 -2.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.36 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 -1.04 0.00 0.02 4.37 -2.24 -1.26 -4.81 114.28 109.31 1jjr n THR 65 Ca 0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1jjr n THR 65 Cb 0.42 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.22 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 -1.30 0.62 -1.07 2.28 2.07 -1.93 -2.01 116.25 114.91 1jjr h VAL 66 Ca 0.00 -1.24 0.29 0.00 0.82 0.00 0.00 66.70 66.57 1jjr h VAL 66 Cb 0.00 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1jjr h VAL 66 CO 0.00 0.19 0.70 1.55 0.02 0.00 0.00 177.57 180.02 1jjr h PRO 67 N -0.97 0.33 0.10 1.57 0.13 -1.95 0.27 132.00 131.48 1jjr h PRO 67 Ca -0.02 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.82 1jjr h PRO 67 Cb 0.43 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1jjr h PRO 67 CO 0.03 0.22 -1.32 0.52 -0.23 0.00 0.00 178.00 177.22 1jjr h MET 68 N 0.34 0.22 0.25 0.86 2.86 -1.95 -3.34 114.93 114.16 1jjr h MET 68 Ca 0.61 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1jjr h MET 68 Cb 1.65 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1jjr h MET 68 CO -0.29 1.13 -0.12 -0.07 1.06 0.00 0.00 176.91 178.62 1jjr h LEU 69 N 0.06 -0.28 -1.99 1.22 3.38 0.25 -2.68 115.31 115.27 1jjr h LEU 69 Ca -0.16 -0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.02 1jjr h LEU 69 Cb 1.96 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 1jjr h LEU 69 CO 0.18 -0.07 0.76 0.07 0.09 0.00 0.00 178.44 179.46 1jjr h LYS 70 N -0.49 0.00 0.34 1.13 2.10 -1.24 -0.14 116.57 118.27 1jjr h LYS 70 Ca -0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1jjr h LYS 70 Cb 0.37 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.68 1jjr h LYS 70 CO 0.06 0.00 -0.28 1.49 -2.00 0.00 0.00 179.45 178.71 1jjr h GLU 71 N 0.00 -0.61 -0.99 0.07 4.81 -1.60 0.19 114.58 116.46 1jjr h GLU 71 Ca 0.49 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.80 1jjr h GLU 71 Cb 2.00 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 31.46 1jjr h GLU 71 CO -0.01 -0.41 0.65 0.00 -0.73 0.00 0.00 179.01 178.52 1jjr h ALA 72 N -0.07 1.30 -0.94 2.92 0.00 -1.09 -1.52 119.26 119.86 1jjr h ALA 72 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1jjr h ALA 72 Cb 0.56 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1jjr h ALA 72 CO -0.03 0.56 0.62 0.00 0.00 0.00 0.00 179.25 180.40 1jjr h ARG 74 N 1.28 0.81 -0.00 0.00 2.43 0.38 1.21 114.38 120.49 1jjr h ARG 74 Ca 0.34 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 59.22 1jjr h ARG 74 Cb -0.14 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1jjr h ARG 74 CO -0.07 0.64 -0.86 0.00 -1.51 0.00 0.00 179.97 178.16 1jjr h ALA 75 N 1.48 0.54 0.00 2.80 0.00 -0.78 -3.19 119.26 120.11 1jjr h ALA 75 Ca 0.20 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1jjr h ALA 75 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jjr h ALA 75 CO -0.02 0.91 -0.76 1.88 0.00 0.00 0.00 179.25 181.26 1jjr h TYR 76 N 0.11 0.00 0.00 0.00 -1.99 -0.15 -3.48 116.97 111.46 1jjr h TYR 76 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1jjr h TYR 76 Cb 1.49 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.22 1jjr h TYR 76 CO 0.03 0.39 0.00 0.41 -0.00 0.00 0.00 178.16 178.99 1jjr n GLY 77 N 1.25 0.49 3.91 3.88 0.00 0.41 -5.06 105.19 110.08 1jjr n GLY 77 Ca -0.01 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 2.61 -0.86 0.99 1.43 -0.66 -5.02 118.68 117.18 1jjr s LEU 78 Ca 0.00 0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1jjr s LEU 78 Cb 0.00 -3.16 0.21 0.00 0.03 0.00 0.00 46.19 43.27 1jjr s LEU 78 CO 0.00 -1.85 0.73 -0.75 0.23 0.00 0.00 176.35 174.71 1jjr s LYS 79 N -5.49 3.16 0.05 1.70 2.36 -1.26 -4.77 119.74 115.49 1jjr s LYS 79 Ca 0.62 -3.23 -0.02 0.00 -2.55 0.00 0.00 55.97 50.80 1jjr s LYS 79 Cb -0.10 -3.90 0.01 0.00 -1.05 0.00 0.00 37.83 32.78 1jjr s LYS 79 CO 0.48 -1.26 0.10 0.43 1.55 0.00 0.00 175.35 176.65 1jjr n SER 80 N 2.39 -0.28 0.00 1.43 7.64 -1.26 -5.04 113.62 118.50 1jjr n SER 80 Ca 0.20 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1jjr n SER 80 Cb 0.37 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jjr n GLY 81 N -0.07 0.77 0.46 0.23 0.00 -1.26 -4.89 105.19 100.44 1jjr n GLY 81 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.99 4.77 -1.26 -4.92 117.00 116.58 1jjr n LEU 82 Ca 0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1jjr n LEU 82 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jjr n LEU 82 CO 0.00 0.91 0.01 1.17 -1.33 0.00 0.00 177.39 178.14 1jjr n LYS 83 N 0.00 0.00 0.00 3.23 4.81 -1.26 -5.06 118.16 119.88 1jjr n LYS 83 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1jjr n LYS 83 Cb 0.51 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.54 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 0.00 0.00 -0.26 1.64 4.81 -1.26 -3.94 118.16 119.16 1jjr n LYS 84 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1jjr n LYS 84 Cb 0.41 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.66 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 0.28 -1.02 1.64 4.15 -1.94 0.10 115.11 118.31 1jjr h GLN 85 Ca 0.00 -0.02 0.28 0.00 0.77 0.00 0.00 58.65 59.68 1jjr h GLN 85 Cb 0.00 -0.06 -0.13 0.00 0.21 0.00 0.00 27.48 27.50 1jjr h GLN 85 CO 0.00 0.18 0.61 1.49 -1.93 0.00 0.00 178.83 179.18 1jjr h GLU 86 N 0.29 0.45 -0.51 1.69 4.22 -1.98 0.51 114.58 119.24 1jjr h GLU 86 Ca 0.43 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.83 1jjr h GLU 86 Cb 0.75 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1jjr h GLU 86 CO -0.52 0.30 0.24 -0.07 -2.18 0.00 0.00 179.01 176.78 1jjr h LEU 87 N 0.47 0.68 -0.18 1.64 3.38 -1.12 -2.45 115.31 117.73 1jjr h LEU 87 Ca 0.67 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.56 1jjr h LEU 87 Cb 1.44 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 1jjr h LEU 87 CO -0.49 0.63 -0.25 -0.07 0.09 0.00 0.00 178.44 178.35 1jjr h LEU 88 N 0.69 -0.80 -0.30 1.67 4.07 0.08 -0.53 115.31 120.19 1jjr h LEU 88 Ca 0.18 0.13 0.07 0.00 0.08 0.00 0.00 57.88 58.34 1jjr h LEU 88 Cb 0.14 0.36 -0.08 0.00 1.08 0.00 0.00 40.66 42.16 1jjr h LEU 88 CO -0.02 -0.29 -0.24 -0.08 -1.08 0.00 0.00 178.44 176.72 1jjr h GLU 89 N -0.29 -0.21 -0.76 1.13 4.81 -1.16 0.72 114.58 118.82 1jjr h GLU 89 Ca 0.12 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.49 1jjr h GLU 89 Cb 0.47 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 1jjr h GLU 89 CO -0.35 -0.14 0.35 0.00 -0.73 0.00 0.00 179.01 178.14 1jjr h ALA 90 N 0.87 1.08 0.34 2.92 0.00 -0.91 0.30 119.26 123.86 1jjr h ALA 90 Ca 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jjr h ALA 90 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jjr h ALA 90 CO -0.42 -0.12 -0.16 -0.07 0.00 0.00 0.00 179.25 178.47 1jjr h LEU 91 N 0.54 -0.39 0.04 0.00 3.38 0.50 -2.59 115.31 116.79 1jjr h LEU 91 Ca 0.40 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1jjr h LEU 91 Cb 0.53 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1jjr h LEU 91 CO -0.34 -0.04 -0.51 0.74 0.09 0.00 0.00 178.44 178.38 1jjr h THR 92 N -0.77 0.03 -1.16 0.22 2.02 0.95 0.98 112.91 115.19 1jjr h THR 92 Ca -0.05 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.46 1jjr h THR 92 Cb 0.51 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 1jjr h THR 92 CO 0.08 0.00 0.82 0.07 0.37 0.00 0.00 175.52 176.85 1jjr h LYS 93 N -0.68 0.07 0.00 6.66 2.10 -0.48 1.25 116.57 125.48 1jjr h LYS 93 Ca 0.01 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1jjr h LYS 93 Cb 0.72 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1jjr h LYS 93 CO -0.33 0.04 0.00 1.25 -2.00 0.00 0.00 179.45 178.41 1jjr h HIS 94 N 0.07 0.00 -0.23 0.07 2.76 -0.39 -3.31 115.15 114.11 1jjr h HIS 94 Ca 0.57 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.53 1jjr h HIS 94 Cb 2.13 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 30.78 1jjr h HIS 94 CO -0.00 0.00 -0.82 1.19 -1.30 0.00 0.00 177.93 177.00 1jjr n PHE 95 N -2.76 0.09 -0.43 5.26 3.72 0.35 -5.09 117.46 118.59 1jjr n PHE 95 Ca 0.03 -1.70 0.00 0.00 -0.05 0.00 0.00 57.45 55.72 1jjr n PHE 95 Cb 0.37 0.33 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 1jjr n PHE 95 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1jjr n GLN 96 N -0.68 -0.25 0.00 -1.08 7.27 0.32 -4.95 117.38 118.01 1jjr n GLN 96 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1jjr n GLN 96 Cb 0.86 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.51 1jjr n GLN 96 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66