#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjr h VAL 45 N 0.00 1.48 -0.33 3.15 3.04 -2.06 -3.47 116.25 118.06 1jjr h VAL 45 Ca 0.00 -2.33 -0.11 0.00 -1.01 0.00 0.00 66.70 63.26 1jjr h VAL 45 Cb 0.00 2.25 -0.04 0.00 -2.01 0.00 0.00 31.29 31.49 1jjr h VAL 45 CO 0.00 0.67 -0.10 1.21 -1.01 0.00 0.00 177.57 178.33 1jjr n GLU 46 N -3.74 -0.37 -3.69 4.17 2.13 -1.26 -3.76 120.64 114.12 1jjr n GLU 46 Ca -0.01 0.62 -0.30 0.00 0.66 0.00 0.00 57.16 58.13 1jjr n GLU 46 Cb 0.67 -4.36 0.04 0.00 0.27 0.00 0.00 31.44 28.07 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 -3.02 -1.91 -0.04 4.31 4.01 -1.26 -4.62 117.16 114.64 1jjr n TYR 47 Ca -0.05 0.51 -0.15 0.00 -0.16 0.00 0.00 57.90 58.05 1jjr n TYR 47 Cb 0.23 -3.55 -0.08 0.00 -0.31 0.00 0.00 39.34 35.63 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 -1.86 0.56 0.00 7.72 4.64 -1.97 -3.43 113.55 119.21 1jjr h SER 48 Ca -0.66 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.05 1jjr h SER 48 Cb 1.36 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1jjr h SER 48 CO 0.50 1.08 0.00 1.21 -0.87 0.00 0.00 176.83 178.74 1jjr n GLU 49 N -4.31 0.00 0.14 4.77 2.13 -1.26 -5.00 120.64 117.12 1jjr n GLU 49 Ca -0.08 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.60 1jjr n GLU 49 Cb 0.54 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.18 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 -0.61 -0.98 5.31 4.11 -1.99 0.90 114.58 121.32 1jjr h GLU 50 Ca 0.00 0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.50 1jjr h GLU 50 Cb 0.00 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1jjr h GLU 50 CO 0.00 -0.41 0.65 1.49 0.07 0.00 0.00 179.01 180.81 1jjr h GLU 51 N -0.63 1.23 0.31 1.06 4.57 -1.95 -0.16 114.58 119.01 1jjr h GLU 51 Ca 0.02 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1jjr h GLU 51 Cb 0.64 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1jjr h GLU 51 CO -0.18 0.82 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.21 1jjr h LEU 52 N 1.27 -0.47 -0.50 1.64 3.38 -1.68 0.30 115.31 119.25 1jjr h LEU 52 Ca 0.38 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.46 1jjr h LEU 52 Cb -0.05 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1jjr h LEU 52 CO -0.11 -0.30 0.11 0.11 0.09 0.00 0.00 178.44 178.34 1jjr h LYS 53 N -0.48 0.25 -0.81 1.13 1.79 0.13 0.30 116.57 118.89 1jjr h LYS 53 Ca -0.03 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1jjr h LYS 53 Cb 0.40 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.94 1jjr h LYS 53 CO 0.03 0.16 0.51 1.15 -1.08 0.00 0.00 179.45 180.23 1jjr h THR 54 N 0.26 1.10 -0.22 -0.16 2.02 -0.67 -1.15 112.91 114.08 1jjr h THR 54 Ca 0.25 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1jjr h THR 54 Cb 0.33 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1jjr h THR 54 CO -0.31 0.18 0.14 0.45 0.37 0.00 0.00 175.52 176.34 1jjr h HIS 55 N 0.98 0.28 -0.66 3.16 3.86 0.17 -2.63 115.15 120.31 1jjr h HIS 55 Ca 0.33 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.62 1jjr h HIS 55 Cb 0.06 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.37 1jjr h HIS 55 CO -0.03 0.20 0.33 0.97 0.86 0.00 0.00 177.93 180.26 1jjr h ILE 56 N 0.28 0.89 0.00 2.45 2.10 0.25 0.73 117.51 124.21 1jjr h ILE 56 Ca 0.08 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1jjr h ILE 56 Cb -0.00 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 35.98 1jjr h ILE 56 CO -0.02 0.11 0.00 -1.20 -1.08 0.00 0.00 178.15 175.96 1jjr n SER 57 N -4.86 0.00 0.16 2.19 7.64 -0.51 -3.61 113.62 114.63 1jjr n SER 57 Ca 0.09 0.84 -0.14 0.00 1.01 0.00 0.00 58.87 60.67 1jjr n SER 57 Cb 0.23 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.00 1jjr n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jjr h LYS 58 N 0.00 -0.34 0.00 1.43 1.57 -1.49 -3.48 116.57 114.26 1jjr h LYS 58 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1jjr h LYS 58 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1jjr h LYS 58 CO 0.00 -0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.14 1jjr n GLY 59 N -0.95 1.74 0.64 3.86 0.00 0.25 -5.03 105.19 105.70 1jjr n GLY 59 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.08 0.00 0.31 2.61 -2.24 -0.92 -4.28 114.28 109.68 1jjr n THR 60 Ca 0.00 -0.33 0.18 0.00 -2.27 0.00 0.00 64.05 61.63 1jjr n THR 60 Cb 0.00 1.28 1.04 0.00 -2.10 0.00 0.00 70.33 70.55 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 3.12 0.00 -3.18 3.22 6.46 -1.92 -0.62 115.31 122.39 1jjr h LEU 61 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1jjr h LEU 61 Cb 0.82 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1jjr h LEU 61 CO 0.00 0.00 0.04 0.61 -0.62 0.00 0.00 178.44 178.47 1jjr n GLY 62 N -1.19 2.84 0.09 3.75 0.00 -1.26 -4.36 105.19 105.06 1jjr n GLY 62 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 0.42 0.51 -1.21 1.61 3.00 -0.24 -4.97 118.16 117.28 1jjr n LYS 63 Ca 0.25 0.46 -0.36 0.00 -0.00 0.00 0.00 58.31 58.66 1jjr n LYS 63 Cb 1.08 -1.64 0.06 0.00 0.00 0.00 0.00 35.03 34.52 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 -4.51 -1.61 -0.20 5.64 3.72 -1.26 -4.99 117.46 114.25 1jjr n PHE 64 Ca -0.19 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1jjr n PHE 64 Cb 0.47 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.18 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 -2.33 0.00 -0.04 4.37 -2.24 -1.26 -4.77 114.28 108.01 1jjr n THR 65 Ca 0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1jjr n THR 65 Cb 0.50 -1.31 -0.10 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 -0.65 1.41 -1.25 2.28 2.07 -1.94 -2.53 116.25 115.64 1jjr h VAL 66 Ca 0.00 -1.85 0.36 0.00 0.82 0.00 0.00 66.70 66.03 1jjr h VAL 66 Cb 0.00 2.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.26 1jjr h VAL 66 CO 0.00 0.44 0.85 -0.65 0.02 0.00 0.00 177.57 178.23 1jjr h PRO 67 N -0.90 0.13 0.00 1.57 0.11 -1.97 0.98 132.00 131.92 1jjr h PRO 67 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1jjr h PRO 67 Cb 0.75 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1jjr h PRO 67 CO 0.01 0.09 -0.02 0.52 -0.21 0.00 0.00 178.00 178.38 1jjr h MET 68 N 0.14 0.00 -0.92 1.05 2.86 -1.93 -3.28 114.93 112.86 1jjr h MET 68 Ca 0.66 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 1jjr h MET 68 Cb 2.24 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.85 1jjr h MET 68 CO -0.18 0.88 0.58 -0.07 1.06 0.00 0.00 176.91 179.18 1jjr h LEU 69 N -1.00 1.07 -0.89 1.22 3.38 -0.60 -2.19 115.31 116.31 1jjr h LEU 69 Ca -0.01 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.07 1jjr h LEU 69 Cb 0.89 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 1jjr h LEU 69 CO -0.00 0.80 0.48 0.11 0.09 0.00 0.00 178.44 179.92 1jjr h LYS 70 N 1.25 0.65 0.05 1.13 1.79 0.78 -1.74 116.57 120.49 1jjr h LYS 70 Ca 0.33 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.79 1jjr h LYS 70 Cb -0.10 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.36 1jjr h LYS 70 CO -0.07 0.43 -0.31 0.93 -1.08 0.00 0.00 179.45 179.36 1jjr h GLU 71 N 0.67 -0.47 -0.31 3.15 5.08 -1.45 0.94 114.58 122.19 1jjr h GLU 71 Ca 0.49 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.91 1jjr h GLU 71 Cb 0.69 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1jjr h GLU 71 CO -0.36 -0.31 0.11 0.00 -1.00 0.00 0.00 179.01 177.44 1jjr h ALA 72 N 0.23 0.36 -0.91 3.43 0.00 -1.43 0.05 119.26 120.99 1jjr h ALA 72 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jjr h ALA 72 Cb 0.55 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1jjr h ALA 72 CO -0.22 -0.29 0.51 0.00 0.00 0.00 0.00 179.25 179.25 1jjr h ARG 74 N 1.27 0.66 -0.23 0.00 2.43 0.17 1.36 114.38 120.03 1jjr h ARG 74 Ca 0.32 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1jjr h ARG 74 Cb 0.01 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1jjr h ARG 74 CO -0.05 0.62 -0.31 0.00 -1.51 0.00 0.00 179.97 178.72 1jjr h ALA 75 N 1.45 0.35 0.00 2.80 0.00 -0.27 -3.14 119.26 120.45 1jjr h ALA 75 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jjr h ALA 75 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jjr h ALA 75 CO 0.00 0.38 -0.40 1.88 0.00 0.00 0.00 179.25 181.11 1jjr h TYR 76 N 0.32 0.00 -5.77 0.00 0.05 -0.93 -3.48 116.97 107.16 1jjr h TYR 76 Ca 0.03 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.44 1jjr h TYR 76 Cb 0.88 0.00 0.15 0.00 1.01 0.00 0.00 36.73 38.77 1jjr h TYR 76 CO 0.08 0.00 -0.74 0.41 -1.05 0.00 0.00 178.16 176.86 1jjr n GLY 77 N 1.26 -0.42 0.54 3.88 0.00 0.46 -4.88 105.19 106.04 1jjr n GLY 77 Ca 0.04 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.46 1.44 0.00 0.99 4.77 -1.07 -4.85 117.00 113.82 1jjr n LEU 78 Ca -0.18 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1jjr n LEU 78 Cb 0.63 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1jjr n LEU 78 CO 0.63 0.28 0.00 1.17 -1.33 0.00 0.00 177.39 178.14 1jjr n LYS 79 N 0.07 -1.47 -0.04 3.23 0.00 -1.26 -4.95 118.16 113.74 1jjr n LYS 79 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1jjr n LYS 79 Cb 0.29 -4.71 0.00 0.00 0.00 0.00 0.00 35.03 30.60 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 -0.73 0.00 -0.48 3.14 7.64 -1.26 -4.98 113.62 116.95 1jjr n SER 80 Ca 0.00 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1jjr n SER 80 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 5.00 -0.87 0.00 0.23 0.00 -1.26 -4.90 105.19 103.39 1jjr n GLY 81 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.02 0.00 -0.00 0.99 4.77 -1.26 -5.05 117.00 116.42 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 0.50 -1.33 0.00 0.00 177.39 176.56 1jjr h LYS 83 N 0.00 0.00 0.00 3.23 3.11 -1.99 -3.51 116.57 117.42 1jjr h LYS 83 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1jjr h LYS 83 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1jjr h LYS 83 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 179.45 177.81 1jjr n LYS 84 N -2.23 0.00 -0.32 1.90 4.81 -1.26 -4.82 118.16 116.24 1jjr n LYS 84 Ca -0.00 0.00 0.36 0.00 -0.87 0.00 0.00 58.31 57.79 1jjr n LYS 84 Cb 0.00 0.00 0.75 0.00 0.02 0.00 0.00 35.03 35.80 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 0.00 -0.87 1.64 4.15 -1.97 0.31 115.11 118.37 1jjr h GLN 85 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 1jjr h GLN 85 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 1jjr h GLN 85 CO 0.00 0.00 0.56 1.49 -1.93 0.00 0.00 178.83 178.95 1jjr h GLU 86 N 0.00 0.58 -0.44 1.69 4.81 -1.99 0.10 114.58 119.33 1jjr h GLU 86 Ca 0.57 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.75 1jjr h GLU 86 Cb 2.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 31.54 1jjr h GLU 86 CO -0.01 0.38 0.21 -0.07 -0.73 0.00 0.00 179.01 178.80 1jjr h LEU 87 N 0.60 0.57 -0.30 1.64 3.38 -0.78 -2.74 115.31 117.68 1jjr h LEU 87 Ca 0.44 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.35 1jjr h LEU 87 Cb 0.82 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1jjr h LEU 87 CO -0.19 0.53 -0.24 -0.07 0.09 0.00 0.00 178.44 178.57 1jjr h LEU 88 N 0.57 -0.77 -0.41 1.67 3.38 -1.07 -0.94 115.31 117.74 1jjr h LEU 88 Ca 0.15 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.35 1jjr h LEU 88 Cb 0.11 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1jjr h LEU 88 CO -0.02 -0.27 -0.22 -0.33 0.09 0.00 0.00 178.44 177.70 1jjr h GLU 89 N -0.22 -0.14 -0.44 1.13 5.08 -1.24 1.29 114.58 120.06 1jjr h GLU 89 Ca 0.15 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1jjr h GLU 89 Cb 0.46 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1jjr h GLU 89 CO -0.42 -0.09 0.04 0.00 -1.00 0.00 0.00 179.01 177.54 1jjr h ALA 90 N 1.10 0.44 -0.05 3.43 0.00 -1.04 0.28 119.26 123.43 1jjr h ALA 90 Ca 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1jjr h ALA 90 Cb 0.45 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jjr h ALA 90 CO -0.50 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.32 1jjr h LEU 91 N 0.16 0.08 0.15 0.00 3.38 0.12 -2.97 115.31 116.23 1jjr h LEU 91 Ca 0.22 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jjr h LEU 91 Cb 0.29 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1jjr h LEU 91 CO -0.32 0.41 -0.47 0.74 0.09 0.00 0.00 178.44 178.88 1jjr h THR 92 N -0.24 0.08 -1.20 0.22 2.02 0.21 -0.04 112.91 113.96 1jjr h THR 92 Ca 0.01 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.54 1jjr h THR 92 Cb 0.37 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1jjr h THR 92 CO 0.00 0.00 0.86 0.07 0.37 0.00 0.00 175.52 176.82 1jjr h LYS 93 N -0.72 0.02 0.00 6.66 2.10 -0.51 1.41 116.57 125.53 1jjr h LYS 93 Ca 0.00 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1jjr h LYS 93 Cb 0.73 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1jjr h LYS 93 CO -0.25 0.02 -0.10 1.25 -2.00 0.00 0.00 179.45 178.36 1jjr h HIS 94 N 0.03 0.00 -0.38 0.07 2.76 -0.84 -3.33 115.15 113.45 1jjr h HIS 94 Ca 0.58 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.51 1jjr h HIS 94 Cb 2.27 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 30.92 1jjr h HIS 94 CO -0.00 0.10 -0.83 1.19 -1.30 0.00 0.00 177.93 177.09 1jjr n PHE 95 N -3.19 -0.06 -3.47 5.26 3.72 0.39 -5.07 117.46 115.03 1jjr n PHE 95 Ca 0.01 -2.14 0.01 0.00 -0.05 0.00 0.00 57.45 55.28 1jjr n PHE 95 Cb 0.42 0.42 -0.04 0.00 -0.94 0.00 0.00 39.48 39.33 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 -2.19 0.36 0.00 -1.08 -0.44 0.37 -4.93 119.66 111.74 1jjr s GLN 96 Ca 0.22 0.87 0.00 0.00 -2.50 0.00 0.00 55.36 53.95 1jjr s GLN 96 Cb 0.39 0.48 0.00 0.00 -1.64 0.00 0.00 33.01 32.24 1jjr s GLN 96 CO -0.05 -0.12 0.00 -0.25 0.50 0.00 0.00 175.29 175.37