#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 3.05 0.06 3.15 3.14 -1.26 -4.47 118.33 122.00 1jjr n VAL 45 Ca 0.00 -1.86 -0.21 0.00 -2.96 0.00 0.00 64.34 59.31 1jjr n VAL 45 Cb 0.00 -2.31 -0.12 0.00 -1.06 0.00 0.00 33.84 30.35 1jjr n VAL 45 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1jjr h GLU 46 N 5.94 0.59 -3.48 1.45 4.57 -2.04 -3.50 114.58 118.11 1jjr h GLU 46 Ca 0.62 -0.73 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1jjr h GLU 46 Cb 0.23 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1jjr h GLU 46 CO 1.59 1.32 -0.72 0.66 -1.18 0.00 0.00 179.01 180.68 1jjr n TYR 47 N -3.90 -3.74 0.00 0.92 4.02 -1.26 -4.93 117.16 108.27 1jjr n TYR 47 Ca -0.13 2.24 0.00 0.00 -0.01 0.00 0.00 57.90 60.00 1jjr n TYR 47 Cb 0.90 -3.27 0.00 0.00 -0.02 0.00 0.00 39.34 36.95 1jjr n TYR 47 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jjr n SER 48 N 1.36 0.00 0.00 7.72 3.41 -1.26 -4.88 113.62 119.97 1jjr n SER 48 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jjr n SER 48 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jjr n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jjr n GLU 49 N -0.69 0.00 0.02 4.33 1.02 -1.26 -4.86 120.64 119.19 1jjr n GLU 49 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1jjr n GLU 49 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1jjr h GLU 50 N 0.00 -0.33 -0.87 3.49 -0.00 -1.98 1.29 114.58 116.19 1jjr h GLU 50 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.37 1jjr h GLU 50 Cb 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 28.75 28.78 1jjr h GLU 50 CO 0.00 -0.22 0.51 1.49 -0.00 0.00 0.00 179.01 180.79 1jjr h GLU 51 N -0.34 1.19 0.22 1.06 4.57 -1.98 -0.80 114.58 118.50 1jjr h GLU 51 Ca 0.09 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1jjr h GLU 51 Cb 0.47 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1jjr h GLU 51 CO -0.29 0.85 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.20 1jjr h LEU 52 N 1.20 -0.28 -0.49 1.64 3.38 -1.57 0.13 115.31 119.32 1jjr h LEU 52 Ca 0.31 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.38 1jjr h LEU 52 Cb -0.02 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1jjr h LEU 52 CO -0.06 -0.20 0.05 0.11 0.09 0.00 0.00 178.44 178.44 1jjr h LYS 53 N -0.31 0.17 -0.51 1.13 1.79 0.20 1.07 116.57 120.10 1jjr h LYS 53 Ca -0.03 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1jjr h LYS 53 Cb 0.25 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1jjr h LYS 53 CO 0.04 0.11 0.26 1.15 -1.08 0.00 0.00 179.45 179.93 1jjr h THR 54 N 0.18 0.96 0.28 -0.16 2.02 -0.82 0.75 112.91 116.12 1jjr h THR 54 Ca 0.25 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1jjr h THR 54 Cb 0.35 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1jjr h THR 54 CO -0.36 0.09 -0.14 0.45 0.37 0.00 0.00 175.52 175.93 1jjr h HIS 55 N 0.51 -0.35 -0.89 3.16 3.86 0.12 -2.66 115.15 118.90 1jjr h HIS 55 Ca 0.23 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1jjr h HIS 55 Cb 0.13 0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 1jjr h HIS 55 CO -0.10 -0.19 0.58 0.82 0.86 0.00 0.00 177.93 179.90 1jjr h ILE 56 N -0.43 1.08 0.00 2.45 2.04 0.16 -1.38 117.51 121.43 1jjr h ILE 56 Ca -0.04 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jjr h ILE 56 Cb 0.33 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1jjr h ILE 56 CO 0.06 0.19 0.00 -0.24 0.00 0.00 0.00 178.15 178.16 1jjr n SER 57 N -4.48 0.00 0.00 1.72 2.88 0.26 -4.10 113.62 109.90 1jjr n SER 57 Ca 0.13 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1jjr n SER 57 Cb 0.18 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1jjr n SER 57 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jjr n LYS 58 N -1.50 0.00 0.00 -1.46 5.02 -1.11 -4.96 118.16 114.15 1jjr n LYS 58 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1jjr n LYS 58 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.75 0.00 0.00 0.72 0.00 -0.58 -5.04 105.19 99.55 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 0.24 2.61 -2.24 -0.84 -4.33 114.28 109.72 1jjr n THR 60 Ca 0.00 -0.25 0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1jjr n THR 60 Cb 0.00 0.52 0.81 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.40 3.22 7.12 -1.88 0.59 115.31 122.97 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 -1.42 0.56 0.13 3.75 0.00 -1.26 -4.09 105.19 102.86 1jjr n GLY 62 Ca -0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 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 0.64 0.73 -1.28 1.61 5.02 0.19 -4.96 118.16 120.11 1jjr n LYS 63 Ca 0.17 0.24 -0.37 0.00 -2.02 0.00 0.00 58.31 56.33 1jjr n LYS 63 Cb 0.43 -1.69 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.39 -1.68 -0.79 2.13 3.72 -1.19 -4.98 117.46 111.28 1jjr n PHE 64 Ca -0.32 0.36 -0.05 0.00 -0.05 0.00 0.00 57.45 57.39 1jjr n PHE 64 Cb 1.04 -1.83 0.04 0.00 -0.94 0.00 0.00 39.48 37.80 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 -2.04 0.00 0.05 4.37 -2.24 -1.26 -4.78 114.28 108.38 1jjr n THR 65 Ca 0.09 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 1jjr n THR 65 Cb 0.49 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.49 0.29 -0.64 2.28 2.07 -1.93 -1.19 116.25 115.64 1jjr h VAL 66 Ca -0.07 -0.98 0.19 0.00 0.82 0.00 0.00 66.70 66.66 1jjr h VAL 66 Cb 0.20 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1jjr h VAL 66 CO 0.04 0.08 0.53 1.55 0.02 0.00 0.00 177.57 179.80 1jjr h PRO 67 N -1.03 0.00 0.09 1.57 0.13 -1.95 0.48 132.00 131.30 1jjr h PRO 67 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1jjr h PRO 67 Cb 0.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.46 1jjr h PRO 67 CO 0.04 0.00 -0.59 0.52 -0.23 0.00 0.00 178.00 177.74 1jjr h MET 68 N 0.00 0.23 -0.54 0.86 2.86 -1.94 -3.24 114.93 113.17 1jjr h MET 68 Ca 0.30 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1jjr h MET 68 Cb 1.35 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.12 1jjr h MET 68 CO -0.00 1.16 0.29 -0.07 1.06 0.00 0.00 176.91 179.35 1jjr h LEU 69 N -0.51 0.68 -1.37 1.22 3.38 0.34 -2.24 115.31 116.81 1jjr h LEU 69 Ca -0.10 -0.10 0.20 0.00 0.09 0.00 0.00 57.88 57.98 1jjr h LEU 69 Cb 1.45 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1jjr h LEU 69 CO 0.11 0.58 0.61 0.50 0.09 0.00 0.00 178.44 180.33 1jjr h LYS 70 N 0.72 0.50 0.02 1.13 1.63 -0.25 -1.11 116.57 119.20 1jjr h LYS 70 Ca 0.19 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1jjr h LYS 70 Cb 0.05 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1jjr h LYS 70 CO -0.03 0.33 -0.20 1.49 -3.45 0.00 0.00 179.45 177.59 1jjr h GLU 71 N 0.51 -0.32 -0.56 1.90 4.81 -1.42 0.23 114.58 119.73 1jjr h GLU 71 Ca 0.51 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.79 1jjr h GLU 71 Cb 1.11 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1jjr h GLU 71 CO -0.23 -0.21 0.32 0.00 -0.73 0.00 0.00 179.01 178.16 1jjr h ALA 72 N 0.55 0.73 -0.94 2.92 0.00 -1.26 -0.76 119.26 120.49 1jjr h ALA 72 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1jjr h ALA 72 Cb 0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1jjr h ALA 72 CO -0.17 0.02 0.62 0.00 0.00 0.00 0.00 179.25 179.72 1jjr h ARG 74 N 1.20 0.80 -0.05 0.00 9.65 0.43 0.97 114.38 127.37 1jjr h ARG 74 Ca 0.37 -0.13 -0.15 0.00 -1.10 0.00 0.00 59.98 58.97 1jjr h ARG 74 Cb -0.02 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1jjr h ARG 74 CO -0.12 0.68 -0.65 0.00 2.80 0.00 0.00 179.97 182.68 1jjr h ALA 75 N 1.43 0.80 0.09 2.80 0.00 0.23 -3.19 119.26 121.43 1jjr h ALA 75 Ca 0.18 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 1jjr h ALA 75 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jjr h ALA 75 CO -0.01 0.76 -1.38 1.88 0.00 0.00 0.00 179.25 180.50 1jjr h TYR 76 N 0.15 0.36 0.00 0.00 0.05 -0.14 -3.48 116.97 113.90 1jjr h TYR 76 Ca -0.01 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1jjr h TYR 76 Cb 1.17 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1jjr h TYR 76 CO 0.02 1.27 0.00 0.41 -1.05 0.00 0.00 178.16 178.81 1jjr n GLY 77 N 1.57 0.93 3.88 3.88 0.00 0.33 -5.08 105.19 110.70 1jjr n GLY 77 Ca -0.12 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 3.32 -0.39 0.99 1.43 -0.78 -4.98 118.68 118.27 1jjr s LEU 78 Ca 0.00 1.33 0.07 0.00 -1.03 0.00 0.00 54.13 54.50 1jjr s LEU 78 Cb 0.00 -4.36 0.66 0.00 0.03 0.00 0.00 46.19 42.52 1jjr s LEU 78 CO 0.00 -0.80 1.81 2.29 0.23 0.00 0.00 176.35 179.87 1jjr n LYS 79 N -2.62 2.59 -0.59 1.70 -0.00 -1.26 -4.67 118.16 113.31 1jjr n LYS 79 Ca 0.05 -3.06 -0.10 0.00 -0.00 0.00 0.00 58.31 55.20 1jjr n LYS 79 Cb 0.54 -2.12 0.07 0.00 -0.00 0.00 0.00 35.03 33.52 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 -0.87 -0.28 0.00 -5.58 7.64 -1.26 -4.97 113.62 108.30 1jjr n SER 80 Ca 0.50 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1jjr n SER 80 Cb 1.48 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 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 1.55 0.20 5.00 0.23 0.00 -1.26 -4.96 105.19 105.95 1jjr n GLY 81 Ca 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.21 117.00 117.29 1jjr n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 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 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.35 1jjr n LYS 83 N 0.00 0.00 0.03 3.23 4.76 -1.26 -5.09 118.16 119.83 1jjr n LYS 83 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jjr n LYS 83 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1jjr n LYS 83 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1jjr n LYS 84 N 0.00 0.00 -0.16 1.97 2.85 -1.26 -4.81 118.16 116.75 1jjr n LYS 84 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1jjr n LYS 84 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1jjr h GLN 85 N 0.00 0.34 -1.24 -1.58 5.75 -1.95 -1.32 115.11 115.12 1jjr h GLN 85 Ca 0.00 -0.02 0.39 0.00 -0.15 0.00 0.00 58.65 58.87 1jjr h GLN 85 Cb 0.00 -0.08 -0.12 0.00 1.07 0.00 0.00 27.48 28.36 1jjr h GLN 85 CO 0.00 0.23 0.81 1.49 -2.65 0.00 0.00 178.83 178.70 1jjr h GLU 86 N 0.35 0.16 -0.50 1.69 4.81 -1.93 1.03 114.58 120.20 1jjr h GLU 86 Ca 0.24 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1jjr h GLU 86 Cb 0.26 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1jjr h GLU 86 CO -0.25 0.11 0.21 -0.07 -0.73 0.00 0.00 179.01 178.27 1jjr h LEU 87 N 0.17 0.68 -0.09 1.64 3.38 -1.51 -2.38 115.31 117.20 1jjr h LEU 87 Ca 0.75 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.60 1jjr h LEU 87 Cb 2.28 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.80 1jjr h LEU 87 CO -0.37 0.65 -0.33 -0.07 0.09 0.00 0.00 178.44 178.41 1jjr h LEU 88 N 0.66 -1.03 -0.36 1.67 4.07 0.11 -0.25 115.31 120.18 1jjr h LEU 88 Ca 0.17 0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.35 1jjr h LEU 88 Cb 0.18 0.43 -0.08 0.00 1.08 0.00 0.00 40.66 42.26 1jjr h LEU 88 CO -0.02 -0.38 -0.21 -0.33 -1.08 0.00 0.00 178.44 176.43 1jjr h GLU 89 N -0.44 -0.15 -0.83 1.13 5.08 -1.29 0.91 114.58 118.99 1jjr h GLU 89 Ca 0.08 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1jjr h GLU 89 Cb 0.56 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 1jjr h GLU 89 CO -0.33 -0.10 0.43 0.00 -1.00 0.00 0.00 179.01 178.01 1jjr h ALA 90 N 1.06 1.24 0.63 3.43 0.00 -0.86 0.82 119.26 125.57 1jjr h ALA 90 Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1jjr h ALA 90 Cb 0.43 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jjr h ALA 90 CO -0.45 -0.07 -0.30 -0.07 0.00 0.00 0.00 179.25 178.35 1jjr h LEU 91 N 0.63 -0.72 -0.25 0.00 3.38 0.86 -2.49 115.31 116.73 1jjr h LEU 91 Ca 0.45 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.50 1jjr h LEU 91 Cb 0.60 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 1jjr h LEU 91 CO -0.34 -0.34 -0.33 0.74 0.09 0.00 0.00 178.44 178.25 1jjr h THR 92 N -1.20 0.25 -1.03 0.22 2.02 0.12 0.22 112.91 113.51 1jjr h THR 92 Ca -0.09 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.37 1jjr h THR 92 Cb 0.65 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1jjr h THR 92 CO 0.14 0.00 0.70 0.11 0.37 0.00 0.00 175.52 176.85 1jjr h LYS 93 N -0.34 0.20 -0.02 6.66 1.57 0.58 1.32 116.57 126.54 1jjr h LYS 93 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1jjr h LYS 93 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1jjr h LYS 93 CO -0.43 0.13 0.00 1.58 -0.57 0.00 0.00 179.45 180.16 1jjr n HIS 94 N -4.41 0.02 -2.07 -1.35 -0.00 0.72 -3.78 115.22 104.35 1jjr n HIS 94 Ca 0.23 -0.01 -0.00 0.00 0.46 0.00 0.00 57.72 58.40 1jjr n HIS 94 Cb 0.97 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.84 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 -0.49 0.00 -1.30 1.57 3.72 0.37 -5.07 117.46 116.26 1jjr n PHE 95 Ca 0.20 -0.12 -0.29 0.00 -0.05 0.00 0.00 57.45 57.19 1jjr n PHE 95 Cb 0.20 0.09 0.20 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 -0.13 0.00 -1.08 0.74 0.33 -4.98 119.66 114.55 1jjr s GLN 96 Ca 0.05 0.09 0.32 0.00 0.05 0.00 0.00 55.36 55.87 1jjr s GLN 96 Cb 0.05 -1.71 1.84 0.00 1.10 0.00 0.00 33.01 34.30 1jjr s GLN 96 CO -0.02 -3.02 2.19 -0.25 -0.55 0.00 0.00 175.29 173.65