#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 1.47 -3.40 3.15 2.07 -2.07 -3.49 116.25 113.99 1jjr h VAL 45 Ca 0.00 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1jjr h VAL 45 Cb 0.00 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1jjr h VAL 45 CO 0.00 0.40 -0.01 1.21 0.02 0.00 0.00 177.57 179.19 1jjr n GLU 46 N -4.78 -0.23 -1.73 1.57 2.13 -1.26 -4.92 120.64 111.42 1jjr n GLU 46 Ca -0.09 0.63 -0.41 0.00 0.66 0.00 0.00 57.16 57.95 1jjr n GLU 46 Cb 0.33 -2.21 -0.01 0.00 0.27 0.00 0.00 31.44 29.82 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 -1.18 3.18 0.06 4.31 4.01 -1.26 -4.65 117.16 121.63 1jjr n TYR 47 Ca -0.00 -2.97 -0.11 0.00 -0.16 0.00 0.00 57.90 54.66 1jjr n TYR 47 Cb 0.50 -2.43 -0.08 0.00 -0.31 0.00 0.00 39.34 37.02 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 5.69 -0.20 0.00 7.72 4.64 -1.95 -3.44 113.55 126.01 1jjr h SER 48 Ca 0.62 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1jjr h SER 48 Cb 0.55 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1jjr h SER 48 CO 1.82 0.34 0.00 -1.84 -0.87 0.00 0.00 176.83 176.28 1jjr n GLU 49 N -4.94 0.00 0.37 4.77 0.28 -1.26 -4.77 120.64 115.09 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 0.26 0.00 -0.10 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 -1.06 -0.84 3.44 -0.00 -1.93 1.39 114.58 115.59 1jjr h GLU 50 Ca 0.00 0.07 0.01 0.00 -0.00 0.00 0.00 59.36 59.44 1jjr h GLU 50 Cb 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 28.75 28.95 1jjr h GLU 50 CO 0.00 -0.70 0.56 1.49 -0.00 0.00 0.00 179.01 180.35 1jjr h GLU 51 N -1.10 1.09 0.12 1.06 4.81 -1.95 -0.10 114.58 118.52 1jjr h GLU 51 Ca -0.08 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1jjr h GLU 51 Cb 0.90 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1jjr h GLU 51 CO 0.04 0.72 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.92 1jjr h LEU 52 N 1.13 -0.14 -0.41 1.64 3.38 -1.79 0.13 115.31 119.25 1jjr h LEU 52 Ca 0.31 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1jjr h LEU 52 Cb -0.11 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1jjr h LEU 52 CO -0.07 -0.04 0.09 0.50 0.09 0.00 0.00 178.44 179.01 1jjr h LYS 53 N -0.23 0.22 -0.79 1.13 3.64 0.25 0.15 116.57 120.94 1jjr h LYS 53 Ca -0.02 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1jjr h LYS 53 Cb 0.18 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1jjr h LYS 53 CO 0.03 0.14 0.49 1.15 -2.27 0.00 0.00 179.45 178.99 1jjr h THR 54 N 0.22 1.07 -0.18 1.00 2.02 -0.78 0.43 112.91 116.69 1jjr h THR 54 Ca 0.20 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jjr h THR 54 Cb 0.23 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1jjr h THR 54 CO -0.25 0.17 0.10 0.45 0.37 0.00 0.00 175.52 176.36 1jjr h HIS 55 N 0.92 0.20 -0.22 3.16 3.86 0.68 -1.85 115.15 121.90 1jjr h HIS 55 Ca 0.33 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.58 1jjr h HIS 55 Cb 0.10 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1jjr h HIS 55 CO -0.04 0.12 0.04 0.82 0.86 0.00 0.00 177.93 179.73 1jjr h ILE 56 N 0.22 0.90 0.26 2.45 2.04 0.04 0.44 117.51 123.86 1jjr h ILE 56 Ca 0.07 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1jjr h ILE 56 Cb -0.01 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1jjr h ILE 56 CO -0.03 0.02 -0.37 0.77 0.00 0.00 0.00 178.15 178.54 1jjr h SER 57 N 0.12 -1.07 -0.43 1.72 4.64 -0.65 -2.60 113.55 115.29 1jjr h SER 57 Ca 0.10 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1jjr h SER 57 Cb 0.10 0.37 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1jjr h SER 57 CO -0.13 -0.45 0.26 0.11 -0.87 0.00 0.00 176.83 175.74 1jjr h LYS 58 N -0.66 0.61 0.00 4.77 1.57 -1.31 -3.46 116.57 118.08 1jjr h LYS 58 Ca -0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jjr h LYS 58 Cb 0.60 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1jjr h LYS 58 CO -0.11 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 179.62 1jjr n GLY 59 N -1.36 1.43 0.03 3.86 0.00 0.59 -5.00 105.19 104.74 1jjr n GLY 59 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.14 0.11 -0.21 2.61 -2.24 0.12 -4.17 114.28 109.36 1jjr n THR 60 Ca 0.00 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.43 1jjr n THR 60 Cb 0.00 0.09 0.33 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.71 -4.70 3.22 7.12 -1.53 -1.66 115.31 118.47 1jjr h LEU 61 Ca 0.00 0.01 -0.53 0.00 0.13 0.00 0.00 57.88 57.49 1jjr h LEU 61 Cb 0.91 -0.14 -0.16 0.00 -0.53 0.00 0.00 40.66 40.73 1jjr h LEU 61 CO 0.00 0.45 0.72 0.61 -0.13 0.00 0.00 178.44 180.09 1jjr n GLY 62 N -1.44 4.43 1.21 3.75 0.00 -1.26 -3.96 105.19 107.93 1jjr n GLY 62 Ca 0.12 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 1.11 0.00 -1.27 1.61 4.81 -0.62 -5.08 118.16 118.72 1jjr n LYS 63 Ca 0.51 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.58 1jjr n LYS 63 Cb 0.51 -0.21 0.05 0.00 0.02 0.00 0.00 35.03 35.41 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1jjr n PHE 64 N -2.13 -1.72 -0.67 5.64 3.72 -1.24 -4.98 117.46 116.07 1jjr n PHE 64 Ca 0.00 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 1jjr n PHE 64 Cb 0.01 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 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 -2.07 0.00 0.03 4.37 -2.24 -1.26 -4.82 114.28 108.29 1jjr n THR 65 Ca 0.09 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 1jjr n THR 65 Cb 0.49 -1.41 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 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 -1.25 0.44 -1.15 2.28 2.07 -1.94 -2.26 116.25 114.43 1jjr h VAL 66 Ca 0.00 -1.09 0.33 0.00 0.82 0.00 0.00 66.70 66.75 1jjr h VAL 66 Cb 0.00 0.78 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 1jjr h VAL 66 CO 0.00 0.13 0.77 1.55 0.02 0.00 0.00 177.57 180.04 1jjr h PRO 67 N -1.00 0.21 0.21 1.57 0.13 -2.01 0.39 132.00 131.50 1jjr h PRO 67 Ca -0.02 -0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.78 1jjr h PRO 67 Cb 0.36 -0.05 0.03 0.00 0.13 0.00 0.00 31.00 31.47 1jjr h PRO 67 CO 0.03 0.14 -1.41 0.52 -0.23 0.00 0.00 178.00 177.05 1jjr h MET 68 N 0.21 0.44 -0.92 0.86 2.86 -1.95 -3.31 114.93 113.13 1jjr h MET 68 Ca 0.63 -0.76 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1jjr h MET 68 Cb 1.97 0.28 -0.04 0.00 0.06 0.00 0.00 31.60 33.87 1jjr h MET 68 CO -0.22 1.36 0.52 -0.07 1.06 0.00 0.00 176.91 179.56 1jjr h LEU 69 N 0.12 1.13 -0.70 1.22 3.38 0.30 -2.72 115.31 118.04 1jjr h LEU 69 Ca -0.22 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1jjr h LEU 69 Cb 2.10 -0.29 -0.10 0.00 0.09 0.00 0.00 40.66 42.46 1jjr h LEU 69 CO 0.25 0.89 0.19 0.11 0.09 0.00 0.00 178.44 179.97 1jjr h LYS 70 N 1.28 0.29 -0.05 1.13 6.56 -1.01 -0.89 116.57 123.89 1jjr h LYS 70 Ca 0.33 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.93 1jjr h LYS 70 Cb -0.01 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.55 1jjr h LYS 70 CO -0.06 0.20 -0.16 1.49 -2.06 0.00 0.00 179.45 178.86 1jjr h GLU 71 N 0.30 -0.23 -0.64 3.15 4.81 -1.61 0.35 114.58 120.72 1jjr h GLU 71 Ca 0.39 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.68 1jjr h GLU 71 Cb 0.62 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 1jjr h GLU 71 CO -0.46 -0.15 0.37 0.00 -0.73 0.00 0.00 179.01 178.04 1jjr h ALA 72 N 0.74 0.85 -0.88 2.92 0.00 -1.34 -1.60 119.26 119.96 1jjr h ALA 72 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jjr h ALA 72 Cb 0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1jjr h ALA 72 CO -0.19 0.06 0.58 0.00 0.00 0.00 0.00 179.25 179.71 1jjr h ARG 74 N 1.19 0.77 0.01 0.00 2.43 -0.07 0.83 114.38 119.54 1jjr h ARG 74 Ca 0.32 -0.10 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 1jjr h ARG 74 Cb -0.13 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 1jjr h ARG 74 CO -0.07 0.60 -0.91 0.00 -1.51 0.00 0.00 179.97 178.09 1jjr h ALA 75 N 1.51 0.51 0.00 2.80 0.00 -0.42 -3.21 119.26 120.45 1jjr h ALA 75 Ca 0.19 -0.80 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1jjr h ALA 75 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jjr h ALA 75 CO -0.02 1.08 -0.64 1.88 0.00 0.00 0.00 179.25 181.55 1jjr h TYR 76 N 0.02 0.00 0.00 0.00 -1.99 0.01 -3.48 116.97 111.52 1jjr h TYR 76 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1jjr h TYR 76 Cb 1.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.32 1jjr h TYR 76 CO 0.01 0.23 0.00 0.41 -0.00 0.00 0.00 178.16 178.80 1jjr n GLY 77 N 1.20 0.75 2.39 3.88 0.00 0.27 -5.06 105.19 108.62 1jjr n GLY 77 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.60 0.99 4.77 -0.23 -5.00 117.00 114.93 1jjr n LEU 78 Ca 0.00 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1jjr n LEU 78 Cb 0.00 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1jjr n LEU 78 CO 0.00 -1.06 0.09 1.17 -1.33 0.00 0.00 177.39 176.26 1jjr n LYS 79 N -2.69 1.42 -0.53 3.23 0.00 -1.26 -4.65 118.16 113.68 1jjr n LYS 79 Ca 0.10 -2.97 -0.09 0.00 0.00 0.00 0.00 58.31 55.35 1jjr n LYS 79 Cb 0.36 -1.10 0.07 0.00 0.00 0.00 0.00 35.03 34.36 1jjr n LYS 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1jjr n SER 80 N -0.56 -0.32 0.00 3.14 2.88 -1.26 -5.06 113.62 112.45 1jjr n SER 80 Ca 0.03 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1jjr n SER 80 Cb 0.85 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jjr n GLY 81 N 1.72 3.46 2.28 0.46 0.00 -1.26 -4.97 105.19 106.88 1jjr n GLY 81 Ca 0.05 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.36 0.00 0.99 4.77 -1.26 -4.75 117.00 115.39 1jjr n LEU 82 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1jjr n LEU 82 Cb 0.00 -1.96 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 1jjr n LEU 82 CO 0.00 -0.31 0.00 0.29 -1.33 0.00 0.00 177.39 176.04 1jjr n LYS 83 N -2.35 0.00 0.00 3.23 5.02 -1.26 -5.06 118.16 117.74 1jjr n LYS 83 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1jjr n LYS 83 Cb 0.55 -0.01 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 1.63 -0.52 0.00 0.00 177.40 178.51 1jjr n LYS 84 N 0.00 0.00 -0.29 1.97 5.02 -1.26 -3.40 118.16 120.20 1jjr n LYS 84 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1jjr n LYS 84 Cb 0.10 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.39 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1jjr h GLN 85 N 0.00 0.36 -0.74 1.97 5.75 -1.97 0.64 115.11 121.12 1jjr h GLN 85 Ca 0.00 -0.02 0.17 0.00 -0.15 0.00 0.00 58.65 58.65 1jjr h GLN 85 Cb 0.00 -0.08 -0.12 0.00 1.07 0.00 0.00 27.48 28.35 1jjr h GLN 85 CO 0.00 0.23 0.11 1.49 -2.65 0.00 0.00 178.83 178.01 1jjr h GLU 86 N 0.37 0.18 0.01 1.69 4.57 -1.95 0.70 114.58 120.16 1jjr h GLU 86 Ca 0.53 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1jjr h GLU 86 Cb 0.99 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1jjr h GLU 86 CO -0.53 0.12 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.34 1jjr h LEU 87 N 0.19 -0.02 -0.24 1.64 3.38 -1.18 -0.29 115.31 118.79 1jjr h LEU 87 Ca 0.42 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.37 1jjr h LEU 87 Cb 0.74 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1jjr h LEU 87 CO -0.58 0.07 -0.22 -0.07 0.09 0.00 0.00 178.44 177.73 1jjr h LEU 88 N -0.10 -0.72 -0.27 1.67 3.38 -0.41 -0.29 115.31 118.57 1jjr h LEU 88 Ca -0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1jjr h LEU 88 Cb 0.10 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1jjr h LEU 88 CO 0.00 -0.26 -0.12 -0.08 0.09 0.00 0.00 178.44 178.07 1jjr h GLU 89 N -0.23 -0.08 -0.83 1.13 4.22 0.52 0.18 114.58 119.51 1jjr h GLU 89 Ca 0.14 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.72 1jjr h GLU 89 Cb 0.44 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 1jjr h GLU 89 CO -0.37 -0.05 0.41 0.00 -2.18 0.00 0.00 179.01 176.82 1jjr h ALA 90 N 1.15 1.22 0.51 2.92 0.00 -0.15 0.17 119.26 125.08 1jjr h ALA 90 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jjr h ALA 90 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jjr h ALA 90 CO -0.33 -0.10 -0.24 -0.07 0.00 0.00 0.00 179.25 178.51 1jjr h LEU 91 N 0.60 -0.58 -0.06 0.00 3.38 0.21 -2.43 115.31 116.44 1jjr h LEU 91 Ca 0.45 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.38 1jjr h LEU 91 Cb 0.62 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1jjr h LEU 91 CO -0.36 -0.24 -0.52 0.74 0.09 0.00 0.00 178.44 178.15 1jjr h THR 92 N -0.94 0.00 -1.08 0.22 2.02 -0.09 0.20 112.91 113.25 1jjr h THR 92 Ca -0.07 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.42 1jjr h THR 92 Cb 0.61 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1jjr h THR 92 CO 0.11 0.00 0.80 0.07 0.37 0.00 0.00 175.52 176.88 1jjr h LYS 93 N -0.61 0.00 0.00 6.66 2.10 -0.75 0.98 116.57 124.95 1jjr h LYS 93 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1jjr h LYS 93 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1jjr h LYS 93 CO -0.38 0.00 0.00 1.25 -2.00 0.00 0.00 179.45 178.32 1jjr h HIS 94 N 0.00 0.00 -0.23 0.07 2.76 -0.07 -3.26 115.15 114.41 1jjr h HIS 94 Ca 0.51 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.48 1jjr h HIS 94 Cb 2.11 0.00 -0.32 0.00 1.55 0.00 0.00 27.41 30.75 1jjr h HIS 94 CO 0.00 0.00 -0.84 1.19 -1.30 0.00 0.00 177.93 176.98 1jjr n PHE 95 N -2.97 0.16 -2.27 5.26 3.72 0.30 -5.09 117.46 116.58 1jjr n PHE 95 Ca 0.00 -1.69 -0.43 0.00 -0.05 0.00 0.00 57.45 55.29 1jjr n PHE 95 Cb 0.27 0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1jjr n PHE 95 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1jjr s GLN 96 N -2.03 4.02 0.00 -1.08 -1.52 0.89 -4.97 119.66 114.97 1jjr s GLN 96 Ca 0.22 1.64 0.32 0.00 -1.95 0.00 0.00 55.36 55.58 1jjr s GLN 96 Cb 0.34 -3.91 1.83 0.00 -0.22 0.00 0.00 33.01 31.06 1jjr s GLN 96 CO -0.08 -1.00 2.18 -3.47 -0.25 0.00 0.00 175.29 172.67