#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 -0.17 -3.96 0.58 3.14 -1.26 -0.09 118.33 116.58 1jjr n VAL 45 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1jjr n VAL 45 Cb 0.00 -0.48 -0.02 0.00 -1.06 0.00 0.00 33.84 32.28 1jjr n VAL 45 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1jjr n GLU 46 N -3.06 -3.45 -3.28 1.45 4.07 -1.26 -2.79 120.64 112.32 1jjr n GLU 46 Ca 0.02 0.41 -0.19 0.00 -0.06 0.00 0.00 57.16 57.34 1jjr n GLU 46 Cb 0.50 -5.15 0.01 0.00 -0.06 0.00 0.00 31.44 26.74 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 -4.27 -2.86 0.05 4.31 4.01 0.88 -4.73 117.16 114.54 1jjr n TYR 47 Ca 0.05 1.16 -0.10 0.00 -0.16 0.00 0.00 57.90 58.85 1jjr n TYR 47 Cb 0.50 -3.16 -0.07 0.00 -0.31 0.00 0.00 39.34 36.31 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 1.24 -0.18 0.00 7.72 4.64 -1.72 -3.43 113.55 121.81 1jjr h SER 48 Ca -0.30 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1jjr h SER 48 Cb 1.20 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1jjr h SER 48 CO 0.26 0.38 0.00 -1.84 -0.87 0.00 0.00 176.83 174.77 1jjr n GLU 49 N -4.91 0.00 0.25 4.77 0.28 -1.26 -4.80 120.64 114.97 1jjr n GLU 49 Ca -0.07 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.77 1jjr n GLU 49 Cb 0.25 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.04 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 -0.73 -0.87 3.44 4.11 -1.98 1.36 114.58 119.91 1jjr h GLU 50 Ca 0.00 0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 1jjr h GLU 50 Cb 0.00 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1jjr h GLU 50 CO 0.00 -0.49 0.54 1.49 0.07 0.00 0.00 179.01 180.62 1jjr h GLU 51 N -0.76 1.17 0.06 1.06 4.81 -1.95 -0.25 114.58 118.73 1jjr h GLU 51 Ca -0.04 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1jjr h GLU 51 Cb 0.66 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1jjr h GLU 51 CO -0.01 0.81 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.98 1jjr h LEU 52 N 1.19 -0.07 -0.39 1.64 3.38 -1.83 0.21 115.31 119.43 1jjr h LEU 52 Ca 0.31 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.35 1jjr h LEU 52 Cb -0.07 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1jjr h LEU 52 CO -0.06 -0.05 0.00 0.11 0.09 0.00 0.00 178.44 178.54 1jjr h LYS 53 N -0.09 0.11 -0.71 1.13 1.79 0.23 0.32 116.57 119.35 1jjr h LYS 53 Ca -0.01 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1jjr h LYS 53 Cb 0.07 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1jjr h LYS 53 CO 0.01 0.07 0.46 1.15 -1.08 0.00 0.00 179.45 180.06 1jjr h THR 54 N 0.11 1.14 -0.15 -0.16 2.02 -0.73 -0.35 112.91 114.79 1jjr h THR 54 Ca 0.19 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jjr h THR 54 Cb 0.27 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1jjr h THR 54 CO -0.32 0.17 0.08 0.45 0.37 0.00 0.00 175.52 176.27 1jjr h HIS 55 N 0.91 0.15 -0.33 3.16 3.86 0.80 -1.68 115.15 122.03 1jjr h HIS 55 Ca 0.27 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.53 1jjr h HIS 55 Cb -0.05 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1jjr h HIS 55 CO -0.03 0.09 0.09 0.82 0.86 0.00 0.00 177.93 179.76 1jjr h ILE 56 N 0.17 0.87 0.32 2.45 2.04 0.11 0.60 117.51 124.08 1jjr h ILE 56 Ca 0.06 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jjr h ILE 56 Cb -0.00 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1jjr h ILE 56 CO -0.03 0.04 -0.35 0.77 0.00 0.00 0.00 178.15 178.58 1jjr h SER 57 N 0.22 -0.96 -0.39 1.72 4.64 -0.75 -3.09 113.55 114.95 1jjr h SER 57 Ca 0.15 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1jjr h SER 57 Cb 0.15 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1jjr h SER 57 CO -0.18 -0.45 0.23 0.11 -0.87 0.00 0.00 176.83 175.67 1jjr h LYS 58 N -0.67 0.53 0.00 4.77 1.57 -1.25 -3.47 116.57 118.05 1jjr h LYS 58 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1jjr h LYS 58 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1jjr h LYS 58 CO -0.05 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 1jjr n GLY 59 N -1.06 1.92 0.00 3.86 0.00 0.19 -5.01 105.19 105.09 1jjr n GLY 59 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.16 0.00 0.28 2.61 -2.24 0.01 -4.16 114.28 110.62 1jjr n THR 60 Ca 0.00 -0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1jjr n THR 60 Cb 0.00 0.81 0.94 0.00 -2.10 0.00 0.00 70.33 69.98 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 -1.63 3.22 7.12 -1.80 0.19 115.31 122.41 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 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 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 -1.30 1.45 0.13 3.75 0.00 -1.26 -3.95 105.19 104.01 1jjr n GLY 62 Ca -0.01 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1jjr n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjr n LYS 63 N 0.26 0.63 -1.46 1.61 5.02 0.66 -4.95 118.16 119.93 1jjr n LYS 63 Ca 0.10 0.33 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 1jjr n LYS 63 Cb 0.48 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jjr n PHE 64 N -3.96 -0.32 -0.92 2.13 3.72 -1.25 -4.98 117.46 111.88 1jjr n PHE 64 Ca -0.42 0.68 -0.07 0.00 -0.05 0.00 0.00 57.45 57.58 1jjr n PHE 64 Cb 0.88 -2.01 0.06 0.00 -0.94 0.00 0.00 39.48 37.46 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 -0.55 0.00 0.00 4.37 -2.24 -1.26 -4.79 114.28 109.81 1jjr n THR 65 Ca 0.12 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 1jjr n THR 65 Cb 0.36 -1.46 -0.11 0.00 -2.10 0.00 0.00 70.33 67.02 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 -1.50 1.44 -0.81 2.28 2.07 -1.93 -1.37 116.25 116.42 1jjr h VAL 66 Ca -0.10 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 1jjr h VAL 66 Cb 0.30 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1jjr h VAL 66 CO 0.07 0.60 0.48 -0.65 0.02 0.00 0.00 177.57 178.09 1jjr h PRO 67 N -0.13 1.10 0.04 1.57 0.11 -2.00 -2.21 132.00 130.47 1jjr h PRO 67 Ca -0.07 -0.10 -0.23 0.00 0.11 0.00 0.00 66.00 65.71 1jjr h PRO 67 Cb 1.29 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1jjr h PRO 67 CO 0.11 0.77 -1.07 0.52 -0.21 0.00 0.00 178.00 178.12 1jjr h MET 68 N 1.11 0.08 -0.58 1.05 2.86 -1.94 -3.31 114.93 114.20 1jjr h MET 68 Ca 0.29 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jjr h MET 68 Cb -0.04 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1jjr h MET 68 CO -0.05 1.06 0.35 -0.07 1.06 0.00 0.00 176.91 179.26 1jjr h LEU 69 N 0.02 0.71 -1.06 1.22 3.38 -0.80 -2.50 115.31 116.28 1jjr h LEU 69 Ca -0.05 -0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.06 1jjr h LEU 69 Cb 1.83 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 42.29 1jjr h LEU 69 CO 0.15 0.56 0.61 0.11 0.09 0.00 0.00 178.44 179.97 1jjr h LYS 70 N 0.79 0.67 0.03 1.13 6.56 -1.50 -1.38 116.57 122.87 1jjr h LYS 70 Ca 0.21 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.78 1jjr h LYS 70 Cb -0.01 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.47 1jjr h LYS 70 CO -0.04 0.45 -0.17 0.93 -2.06 0.00 0.00 179.45 178.56 1jjr h GLU 71 N 0.69 -0.28 -0.20 3.15 5.08 -1.59 0.23 114.58 121.66 1jjr h GLU 71 Ca 0.59 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 59.00 1jjr h GLU 71 Cb 1.01 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1jjr h GLU 71 CO -0.38 -0.19 0.00 0.00 -1.00 0.00 0.00 179.01 177.45 1jjr h ALA 72 N 0.61 0.17 -0.63 3.43 0.00 -1.31 -1.51 119.26 120.02 1jjr h ALA 72 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jjr h ALA 72 Cb 0.35 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jjr h ALA 72 CO -0.15 -0.43 0.42 0.00 0.00 0.00 0.00 179.25 179.09 1jjr h ARG 74 N 0.83 0.96 0.00 0.00 1.12 0.41 1.01 114.38 118.71 1jjr h ARG 74 Ca 0.23 -0.13 -0.22 0.00 -1.11 0.00 0.00 59.98 58.76 1jjr h ARG 74 Cb -0.07 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 29.68 1jjr h ARG 74 CO -0.05 0.75 -1.06 0.00 -3.11 0.00 0.00 179.97 176.49 1jjr h ALA 75 N 1.39 0.39 0.00 2.80 0.00 -0.41 -3.26 119.26 120.17 1jjr h ALA 75 Ca 0.23 -0.96 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 1jjr h ALA 75 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jjr h ALA 75 CO -0.03 1.28 -0.56 1.88 0.00 0.00 0.00 179.25 181.82 1jjr h TYR 76 N 0.00 0.00 0.00 0.00 -1.99 -0.20 -3.48 116.97 111.30 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 1.79 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.52 1jjr h TYR 76 CO 0.00 0.22 0.00 0.41 -0.00 0.00 0.00 178.16 178.80 1jjr n GLY 77 N 1.20 0.60 3.91 3.88 0.00 0.33 -5.05 105.19 110.06 1jjr n GLY 77 Ca 0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 2.59 -0.21 0.99 2.01 -0.15 -5.01 118.68 118.90 1jjr s LEU 78 Ca 0.00 0.69 0.03 0.00 0.01 0.00 0.00 54.13 54.86 1jjr s LEU 78 Cb 0.00 -3.23 -0.21 0.00 0.01 0.00 0.00 46.19 42.76 1jjr s LEU 78 CO 0.00 -1.82 0.00 1.17 1.01 0.00 0.00 176.35 176.72 1jjr n LYS 79 N -3.21 0.68 0.00 1.70 0.00 -1.26 -4.70 118.16 111.37 1jjr n LYS 79 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.55 1jjr n LYS 79 Cb 0.61 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1jjr n LYS 79 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1jjr n SER 80 N -3.23 -1.56 0.00 3.14 7.64 -1.26 -5.01 113.62 113.33 1jjr n SER 80 Ca -0.39 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1jjr n SER 80 Cb 1.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 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 0.00 2.87 2.73 0.23 0.00 -1.26 -5.04 105.19 104.73 1jjr n GLY 81 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1jjr n GLY 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jjr n LEU 82 N 0.00 -2.96 -0.07 0.99 -0.00 -1.26 -4.95 117.00 108.75 1jjr n LEU 82 Ca 0.00 -3.25 0.00 0.00 -0.00 0.00 0.00 56.01 52.76 1jjr n LEU 82 Cb 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 43.42 44.23 1jjr n LEU 82 CO 0.00 1.98 0.08 1.17 -0.00 0.00 0.00 177.39 180.62 1jjr n LYS 83 N 2.00 0.00 0.00 1.47 4.81 -1.26 -5.06 118.16 120.12 1jjr n LYS 83 Ca 0.12 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1jjr n LYS 83 Cb 0.61 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 -0.33 1.64 4.81 -1.26 -3.87 118.16 119.15 1jjr n LYS 84 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.65 1jjr n LYS 84 Cb 0.51 0.00 0.43 0.00 0.02 0.00 0.00 35.03 35.98 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 0.32 -0.41 1.64 4.15 -1.92 0.37 115.11 119.27 1jjr h GLN 85 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1jjr h GLN 85 Cb 0.00 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1jjr h GLN 85 CO 0.00 0.21 0.20 1.49 -1.93 0.00 0.00 178.83 178.80 1jjr h GLU 86 N 0.33 0.39 -0.28 1.69 4.57 -1.98 0.45 114.58 119.76 1jjr h GLU 86 Ca 0.69 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.83 1jjr h GLU 86 Cb 1.51 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 1jjr h GLU 86 CO -0.60 0.26 0.12 -0.07 -1.18 0.00 0.00 179.01 177.54 1jjr h LEU 87 N 0.40 0.38 0.13 1.64 3.38 -0.68 0.17 115.31 120.73 1jjr h LEU 87 Ca 0.17 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1jjr h LEU 87 Cb 0.09 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1jjr h LEU 87 CO -0.13 0.42 -0.37 -0.07 0.09 0.00 0.00 178.44 178.38 1jjr h LEU 88 N 0.31 -1.09 -0.65 1.67 3.38 -0.34 -0.25 115.31 118.33 1jjr h LEU 88 Ca 0.09 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1jjr h LEU 88 Cb 0.15 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1jjr h LEU 88 CO -0.01 -0.46 0.34 1.05 0.09 0.00 0.00 178.44 179.45 1jjr h GLU 89 N -0.61 0.59 -0.88 1.13 4.11 0.01 -0.56 114.58 118.37 1jjr h GLU 89 Ca 0.02 -0.04 0.15 0.00 0.07 0.00 0.00 59.36 59.57 1jjr h GLU 89 Cb 0.64 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 1jjr h GLU 89 CO -0.21 0.39 0.47 0.00 0.07 0.00 0.00 179.01 179.73 1jjr h ALA 90 N 1.37 1.34 0.54 1.06 0.00 -0.18 0.30 119.26 123.69 1jjr h ALA 90 Ca 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1jjr h ALA 90 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jjr h ALA 90 CO -0.22 -0.06 -0.26 -0.07 0.00 0.00 0.00 179.25 178.64 1jjr h LEU 91 N 0.67 -0.62 -0.50 0.00 3.38 0.42 -2.54 115.31 116.13 1jjr h LEU 91 Ca 0.48 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.56 1jjr h LEU 91 Cb 0.67 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1jjr h LEU 91 CO -0.36 -0.36 -0.29 0.74 0.09 0.00 0.00 178.44 178.27 1jjr h THR 92 N -0.90 0.25 -1.05 0.22 2.02 -0.87 0.38 112.91 112.96 1jjr h THR 92 Ca -0.07 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.38 1jjr h THR 92 Cb 0.56 0.25 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 1jjr h THR 92 CO 0.12 0.00 0.67 0.50 0.37 0.00 0.00 175.52 177.18 1jjr h LYS 93 N -0.18 0.38 0.00 6.66 3.64 -0.45 1.25 116.57 127.87 1jjr h LYS 93 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1jjr h LYS 93 Cb 0.52 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jjr h LYS 93 CO -0.60 0.25 0.00 1.58 -2.27 0.00 0.00 179.45 178.42 1jjr n HIS 94 N -4.64 0.00 -2.48 1.91 -0.00 0.13 -3.39 115.22 106.75 1jjr n HIS 94 Ca 0.26 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.43 1jjr n HIS 94 Cb 0.89 -0.41 0.02 0.00 -0.12 0.00 0.00 29.99 30.36 1jjr n HIS 94 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1jjr n PHE 95 N -1.41 0.01 -3.22 1.57 3.72 0.37 -5.06 117.46 113.43 1jjr n PHE 95 Ca 0.07 -1.02 0.04 0.00 -0.05 0.00 0.00 57.45 56.49 1jjr n PHE 95 Cb 0.20 0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1jjr n PHE 95 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1jjr s GLN 96 N -0.82 0.36 0.00 -1.08 0.74 0.23 -4.96 119.66 114.13 1jjr s GLN 96 Ca 0.21 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.32 1jjr s GLN 96 Cb 0.29 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.80 1jjr s GLN 96 CO -0.10 -0.33 0.00 -3.47 -0.55 0.00 0.00 175.29 170.84