#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 -0.19 1.78 -0.18 3.14 -1.26 -4.76 118.33 116.87 1jjr n VAL 45 Ca 0.00 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 1jjr n VAL 45 Cb 0.00 -0.65 0.55 0.00 -1.06 0.00 0.00 33.84 32.68 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 -3.86 0.89 -2.85 1.45 2.13 -1.26 -4.87 120.64 112.28 1jjr n GLU 46 Ca 0.09 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.81 1jjr n GLU 46 Cb 0.47 -1.32 0.04 0.00 0.27 0.00 0.00 31.44 30.89 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jjr n TYR 47 N -0.82 -1.19 -0.06 4.31 4.01 -1.26 -4.84 117.16 117.31 1jjr n TYR 47 Ca 0.14 0.45 -0.15 0.00 -0.16 0.00 0.00 57.90 58.18 1jjr n TYR 47 Cb 0.06 -3.11 -0.06 0.00 -0.31 0.00 0.00 39.34 35.92 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 -1.08 0.77 0.00 7.72 4.64 -1.97 -3.44 113.55 120.19 1jjr h SER 48 Ca -0.27 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1jjr h SER 48 Cb 1.16 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1jjr h SER 48 CO 0.24 1.20 0.00 -0.62 -0.87 0.00 0.00 176.83 176.78 1jjr n GLU 49 N -4.16 0.00 0.26 4.77 1.02 -1.26 -4.98 120.64 116.29 1jjr n GLU 49 Ca -0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.91 1jjr n GLU 49 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.91 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 -0.87 -0.93 3.49 -0.00 -1.99 1.01 114.58 115.29 1jjr h GLU 50 Ca 0.00 0.06 0.03 0.00 -0.00 0.00 0.00 59.36 59.45 1jjr h GLU 50 Cb 0.00 0.20 -0.05 0.00 -0.00 0.00 0.00 28.75 28.90 1jjr h GLU 50 CO 0.00 -0.58 0.61 1.49 -0.00 0.00 0.00 179.01 180.53 1jjr h GLU 51 N -0.91 1.14 0.30 1.06 4.57 -1.95 -0.26 114.58 118.53 1jjr h GLU 51 Ca -0.04 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1jjr h GLU 51 Cb 0.80 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1jjr h GLU 51 CO -0.08 0.76 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.30 1jjr h LEU 52 N 1.18 -0.34 -0.44 1.64 3.38 -1.75 0.43 115.31 119.41 1jjr h LEU 52 Ca 0.37 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.42 1jjr h LEU 52 Cb -0.00 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1jjr h LEU 52 CO -0.11 -0.23 0.05 0.50 0.09 0.00 0.00 178.44 178.74 1jjr h LYS 53 N -0.41 0.16 -0.46 1.13 3.11 0.16 0.61 116.57 120.88 1jjr h LYS 53 Ca -0.04 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1jjr h LYS 53 Cb 0.31 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.48 1jjr h LYS 53 CO 0.07 0.11 0.29 1.15 -2.81 0.00 0.00 179.45 178.25 1jjr h THR 54 N 0.17 1.08 -0.11 1.00 2.02 -0.77 -0.84 112.91 115.45 1jjr h THR 54 Ca 0.22 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1jjr h THR 54 Cb 0.30 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1jjr h THR 54 CO -0.33 0.11 0.06 0.45 0.37 0.00 0.00 175.52 176.18 1jjr h HIS 55 N 0.58 0.11 -0.96 3.16 3.86 0.12 -2.38 115.15 119.64 1jjr h HIS 55 Ca 0.18 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.50 1jjr h HIS 55 Cb -0.03 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.33 1jjr h HIS 55 CO -0.06 0.06 0.60 0.82 0.86 0.00 0.00 177.93 180.22 1jjr h ILE 56 N 0.13 0.95 0.00 2.45 2.04 0.58 0.41 117.51 124.06 1jjr h ILE 56 Ca 0.04 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1jjr h ILE 56 Cb 0.00 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1jjr h ILE 56 CO -0.03 0.18 0.00 -0.24 0.00 0.00 0.00 178.15 178.06 1jjr n SER 57 N -4.62 0.00 0.01 1.72 2.88 -0.36 -3.67 113.62 109.58 1jjr n SER 57 Ca 0.17 0.65 -0.11 0.00 -1.33 0.00 0.00 58.87 58.25 1jjr n SER 57 Cb 0.30 -0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 1jjr n SER 57 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1jjr h LYS 58 N 0.00 0.09 0.00 -1.46 2.10 -1.52 -3.47 116.57 112.30 1jjr h LYS 58 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1jjr h LYS 58 Cb 0.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1jjr h LYS 58 CO 0.00 0.11 0.00 0.41 -2.00 0.00 0.00 179.45 177.97 1jjr n GLY 59 N -0.96 1.82 0.33 0.07 0.00 0.14 -5.03 105.19 101.55 1jjr n GLY 59 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1jjr n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jjr n THR 60 N -0.05 0.00 0.32 2.61 -1.04 -0.86 -4.19 114.28 111.07 1jjr n THR 60 Ca 0.00 -0.17 0.19 0.00 -2.04 0.00 0.00 64.05 62.03 1jjr n THR 60 Cb 0.00 1.04 1.08 0.00 -1.82 0.00 0.00 70.33 70.63 1jjr n THR 60 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jjr h LEU 61 N 1.62 0.00 -2.56 -4.42 6.46 -1.91 -0.43 115.31 114.07 1jjr h LEU 61 Ca 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1jjr h LEU 61 Cb 0.66 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1jjr h LEU 61 CO 0.00 0.00 0.09 0.61 -0.62 0.00 0.00 178.44 178.52 1jjr n GLY 62 N -1.20 2.56 0.09 3.75 0.00 -1.26 -4.18 105.19 104.96 1jjr n GLY 62 Ca -0.03 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.16 0.51 -0.95 1.61 5.02 -0.17 -4.96 118.16 119.38 1jjr n LYS 63 Ca 0.19 0.54 -0.34 0.00 -2.02 0.00 0.00 58.31 56.68 1jjr n LYS 63 Cb 0.86 -1.71 0.09 0.00 -0.02 0.00 0.00 35.03 34.24 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 -4.52 -2.07 -0.56 2.13 3.72 -1.26 -5.00 117.46 109.92 1jjr n PHE 64 Ca -0.21 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1jjr n PHE 64 Cb 0.49 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 37.28 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 -3.05 0.00 -0.02 4.37 -2.24 -1.26 -4.81 114.28 107.27 1jjr n THR 65 Ca 0.06 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.68 1jjr n THR 65 Cb 0.53 -1.39 -0.12 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.59 -0.88 2.28 2.07 -1.93 -2.41 116.25 115.87 1jjr h VAL 66 Ca 0.00 -2.13 0.20 0.00 0.82 0.00 0.00 66.70 65.59 1jjr h VAL 66 Cb 0.00 2.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 1jjr h VAL 66 CO 0.00 0.58 0.59 -0.65 0.02 0.00 0.00 177.57 178.11 1jjr h PRO 67 N -0.57 0.33 0.25 1.57 0.11 -1.97 0.12 132.00 131.83 1jjr h PRO 67 Ca -0.04 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.72 1jjr h PRO 67 Cb 1.12 -0.08 0.04 0.00 0.11 0.00 0.00 31.00 32.19 1jjr h PRO 67 CO 0.06 0.22 -1.42 0.52 -0.21 0.00 0.00 178.00 177.17 1jjr h MET 68 N 0.34 0.52 -0.84 1.05 2.86 -1.93 -3.31 114.93 113.62 1jjr h MET 68 Ca 0.45 -0.89 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1jjr h MET 68 Cb 1.20 0.33 -0.04 0.00 0.06 0.00 0.00 31.60 33.16 1jjr h MET 68 CO -0.15 1.43 0.54 -0.07 1.06 0.00 0.00 176.91 179.72 1jjr h LEU 69 N 0.09 0.98 -1.51 1.22 3.38 -0.57 -1.63 115.31 117.28 1jjr h LEU 69 Ca -0.25 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 57.86 1jjr h LEU 69 Cb 2.12 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.57 1jjr h LEU 69 CO 0.27 0.73 0.57 0.50 0.09 0.00 0.00 178.44 180.59 1jjr h LYS 70 N 1.14 0.42 0.20 1.13 1.63 -0.94 -1.73 116.57 118.43 1jjr h LYS 70 Ca 0.31 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.09 1jjr h LYS 70 Cb -0.10 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 1jjr h LYS 70 CO -0.06 0.28 -0.27 1.49 -3.45 0.00 0.00 179.45 177.43 1jjr h GLU 71 N 0.43 -0.52 -0.70 1.90 4.57 -1.38 0.15 114.58 119.03 1jjr h GLU 71 Ca 0.44 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.71 1jjr h GLU 71 Cb 1.03 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.68 1jjr h GLU 71 CO -0.16 -0.34 0.41 0.00 -1.18 0.00 0.00 179.01 177.73 1jjr h ALA 72 N 0.13 0.95 -0.87 2.92 0.00 -1.38 -1.37 119.26 119.64 1jjr h ALA 72 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jjr h ALA 72 Cb 0.52 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1jjr h ALA 72 CO -0.10 0.10 0.56 0.00 0.00 0.00 0.00 179.25 179.81 1jjr h ARG 74 N 1.18 0.75 0.00 0.00 2.47 0.33 1.02 114.38 120.13 1jjr h ARG 74 Ca 0.32 -0.09 -0.19 0.00 -1.26 0.00 0.00 59.98 58.75 1jjr h ARG 74 Cb -0.11 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.04 1jjr h ARG 74 CO -0.07 0.59 -0.91 0.00 0.56 0.00 0.00 179.97 180.15 1jjr h ALA 75 N 1.52 0.50 0.00 0.04 0.00 -0.43 -3.26 119.26 117.63 1jjr h ALA 75 Ca 0.19 -0.82 -0.22 0.00 0.00 0.00 0.00 54.91 54.06 1jjr h ALA 75 Cb 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1jjr h ALA 75 CO -0.02 1.11 -1.22 1.88 0.00 0.00 0.00 179.25 181.00 1jjr h TYR 76 N 0.01 0.00 0.00 0.00 -1.99 -0.01 -3.48 116.97 111.49 1jjr h TYR 76 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1jjr h TYR 76 Cb 1.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.33 1jjr h TYR 76 CO 0.00 0.91 0.00 0.41 -0.00 0.00 0.00 178.16 179.48 1jjr n GLY 77 N 1.41 0.62 0.31 3.88 0.00 0.35 -5.07 105.19 106.69 1jjr n GLY 77 Ca -0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1jjr n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jjr n LEU 78 N 0.00 0.00 -0.08 0.99 4.77 -0.98 -5.03 117.00 116.66 1jjr n LEU 78 Ca 0.00 -0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.69 1jjr n LEU 78 Cb 0.15 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1jjr n LEU 78 CO 0.00 -0.57 -1.12 1.17 -1.33 0.00 0.00 177.39 175.53 1jjr n LYS 79 N -1.22 0.68 -0.87 3.23 4.81 -1.26 -4.88 118.16 118.65 1jjr n LYS 79 Ca 0.01 0.16 0.12 0.00 -0.87 0.00 0.00 58.31 57.73 1jjr n LYS 79 Cb 0.05 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.48 1jjr n LYS 79 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1jjr n SER 80 N -3.21 -5.17 -3.99 3.14 7.64 -1.26 -4.97 113.62 105.79 1jjr n SER 80 Ca -0.38 0.44 -0.13 0.00 1.01 0.00 0.00 58.87 59.81 1jjr n SER 80 Cb 1.04 -2.68 -0.12 0.00 -1.01 0.00 0.00 64.21 61.43 1jjr n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jjr s GLY 81 N -5.52 0.32 -1.52 0.23 0.00 -1.26 -4.92 107.32 94.66 1jjr s GLY 81 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1jjr s GLY 81 CO 0.00 -0.52 2.52 1.04 0.00 0.00 0.00 173.10 176.14 1jjr n LEU 82 N 2.07 7.68 0.00 0.66 4.32 -1.26 -4.12 117.00 126.34 1jjr n LEU 82 Ca -0.19 -4.28 0.00 0.00 -0.02 0.00 0.00 56.01 51.52 1jjr n LEU 82 Cb 0.56 -1.60 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 1jjr n LEU 82 CO 0.22 1.55 0.00 1.17 -1.22 0.00 0.00 177.39 179.11 1jjr n LYS 83 N 4.84 0.00 0.00 3.23 3.00 -1.26 -5.12 118.16 122.85 1jjr n LYS 83 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1jjr n LYS 83 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.35 1jjr n LYS 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jjr n LYS 84 N -1.99 0.00 -0.35 1.64 4.81 -1.26 -4.83 118.16 116.18 1jjr n LYS 84 Ca 0.00 0.00 0.34 0.00 -0.87 0.00 0.00 58.31 57.78 1jjr n LYS 84 Cb 0.00 0.00 0.70 0.00 0.02 0.00 0.00 35.03 35.75 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 0.09 -0.93 1.64 4.15 -1.96 0.34 115.11 118.44 1jjr h GLN 85 Ca 0.00 -0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.60 1jjr h GLN 85 Cb 0.00 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.59 1jjr h GLN 85 CO 0.00 0.06 0.60 1.49 -1.93 0.00 0.00 178.83 179.05 1jjr h GLU 86 N 0.09 0.56 -0.23 1.69 4.57 -1.92 0.37 114.58 119.72 1jjr h GLU 86 Ca 0.60 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.74 1jjr h GLU 86 Cb 2.19 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.65 1jjr h GLU 86 CO -0.10 0.37 0.11 -0.07 -1.18 0.00 0.00 179.01 178.15 1jjr h LEU 87 N 0.58 0.30 -0.37 1.64 3.38 -0.57 -2.42 115.31 117.85 1jjr h LEU 87 Ca 0.49 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.42 1jjr h LEU 87 Cb 0.98 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 1jjr h LEU 87 CO -0.24 0.34 -0.16 -0.07 0.09 0.00 0.00 178.44 178.40 1jjr h LEU 88 N 0.23 -0.56 -0.24 1.67 -0.00 -1.02 -0.62 115.31 114.78 1jjr h LEU 88 Ca 0.08 0.14 0.06 0.00 -0.00 0.00 0.00 57.88 58.16 1jjr h LEU 88 Cb 0.12 0.31 -0.07 0.00 -0.00 0.00 0.00 40.66 41.02 1jjr h LEU 88 CO -0.01 -0.20 -0.24 -0.08 -0.00 0.00 0.00 178.44 177.91 1jjr h GLU 89 N -0.10 -0.24 -0.74 1.13 4.57 -1.17 0.97 114.58 119.00 1jjr h GLU 89 Ca 0.18 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.50 1jjr h GLU 89 Cb 0.38 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.94 1jjr h GLU 89 CO -0.43 -0.16 0.33 0.00 -1.18 0.00 0.00 179.01 177.57 1jjr h ALA 90 N 0.79 1.04 0.52 2.92 0.00 -0.85 0.37 119.26 124.05 1jjr h ALA 90 Ca 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jjr h ALA 90 Cb 0.46 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1jjr h ALA 90 CO -0.39 -0.13 -0.25 -0.07 0.00 0.00 0.00 179.25 178.41 1jjr h LEU 91 N 0.52 -0.59 -0.22 0.00 3.38 0.40 -2.66 115.31 116.14 1jjr h LEU 91 Ca 0.39 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1jjr h LEU 91 Cb 0.52 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1jjr h LEU 91 CO -0.34 -0.24 -0.37 0.74 0.09 0.00 0.00 178.44 178.32 1jjr h THR 92 N -1.00 0.20 -1.07 0.22 2.02 0.14 0.12 112.91 113.54 1jjr h THR 92 Ca -0.07 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.39 1jjr h THR 92 Cb 0.62 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 1jjr h THR 92 CO 0.12 0.00 0.70 0.11 0.37 0.00 0.00 175.52 176.82 1jjr h LYS 93 N -0.39 0.30 0.00 6.66 1.79 -0.32 1.33 116.57 125.93 1jjr h LYS 93 Ca 0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1jjr h LYS 93 Cb 0.58 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1jjr h LYS 93 CO -0.43 0.20 0.00 1.58 -1.08 0.00 0.00 179.45 179.71 1jjr n HIS 94 N -4.55 0.00 -2.22 -1.35 -0.00 0.37 -3.65 115.22 103.82 1jjr n HIS 94 Ca 0.26 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.43 1jjr n HIS 94 Cb 0.96 -0.17 -0.01 0.00 -0.12 0.00 0.00 29.99 30.65 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 -1.17 0.00 -3.57 1.57 3.72 0.37 -5.08 117.46 113.31 1jjr n PHE 95 Ca 0.18 -0.38 -0.02 0.00 -0.05 0.00 0.00 57.45 57.18 1jjr n PHE 95 Cb 0.18 0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.42 0.00 -1.08 -0.44 0.32 -4.96 119.66 113.92 1jjr s GLN 96 Ca 0.15 0.86 0.32 0.00 -2.50 0.00 0.00 55.36 54.19 1jjr s GLN 96 Cb 0.17 0.30 1.84 0.00 -1.64 0.00 0.00 33.01 33.68 1jjr s GLN 96 CO -0.07 -0.11 2.19 -0.25 0.50 0.00 0.00 175.29 177.55