#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 1.42 0.00 -0.18 3.04 -2.06 -2.92 116.25 115.55 1jjr h VAL 45 Ca 0.00 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.47 1jjr h VAL 45 Cb 0.00 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.45 1jjr h VAL 45 CO 0.00 0.65 0.00 -1.84 -1.01 0.00 0.00 177.57 175.37 1jjr n GLU 46 N -3.80 0.80 -2.52 4.17 0.28 -1.26 -4.94 120.64 113.38 1jjr n GLU 46 Ca -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1jjr n GLU 46 Cb 0.70 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 32.07 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1jjr n TYR 47 N -1.02 -2.86 0.03 -1.84 4.01 -1.10 -4.28 117.16 110.10 1jjr n TYR 47 Ca 0.20 1.19 -0.12 0.00 -0.16 0.00 0.00 57.90 59.01 1jjr n TYR 47 Cb 0.10 -3.51 -0.09 0.00 -0.31 0.00 0.00 39.34 35.53 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 1.81 -0.13 0.00 7.72 4.64 -1.92 -3.44 113.55 122.23 1jjr h SER 48 Ca 0.00 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1jjr h SER 48 Cb 0.54 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1jjr h SER 48 CO 0.13 0.44 0.00 -1.84 -0.87 0.00 0.00 176.83 174.69 1jjr n GLU 49 N -4.89 0.00 0.29 4.77 0.28 -1.26 -4.91 120.64 114.91 1jjr n GLU 49 Ca -0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.75 1jjr n GLU 49 Cb 0.28 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.06 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 -0.88 -0.78 3.44 4.11 -1.99 0.69 114.58 119.17 1jjr h GLU 50 Ca 0.00 0.06 0.03 0.00 0.07 0.00 0.00 59.36 59.52 1jjr h GLU 50 Cb 0.00 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1jjr h GLU 50 CO 0.00 -0.59 0.52 1.49 0.07 0.00 0.00 179.01 180.50 1jjr h GLU 51 N -0.91 0.94 0.35 1.06 4.57 -1.95 -0.03 114.58 118.61 1jjr h GLU 51 Ca -0.05 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1jjr h GLU 51 Cb 0.79 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1jjr h GLU 51 CO -0.03 0.62 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.18 1jjr h LEU 52 N 0.97 -0.40 -0.49 1.64 3.38 -1.79 0.24 115.31 118.87 1jjr h LEU 52 Ca 0.31 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.34 1jjr h LEU 52 Cb 0.03 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1jjr h LEU 52 CO -0.09 -0.25 0.14 0.50 0.09 0.00 0.00 178.44 178.84 1jjr h LYS 53 N -0.52 0.29 -0.60 1.13 3.64 1.00 0.54 116.57 122.05 1jjr h LYS 53 Ca -0.05 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1jjr h LYS 53 Cb 0.39 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1jjr h LYS 53 CO 0.08 0.19 0.32 1.15 -2.27 0.00 0.00 179.45 178.92 1jjr h THR 54 N 0.30 0.96 0.15 1.00 2.02 -0.78 0.45 112.91 117.01 1jjr h THR 54 Ca 0.24 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1jjr h THR 54 Cb 0.28 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1jjr h THR 54 CO -0.27 0.11 -0.07 0.45 0.37 0.00 0.00 175.52 176.11 1jjr h HIS 55 N 0.60 -0.19 -0.80 3.16 3.86 0.11 -2.63 115.15 119.26 1jjr h HIS 55 Ca 0.26 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.53 1jjr h HIS 55 Cb 0.16 0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 1jjr h HIS 55 CO -0.09 -0.10 0.48 0.82 0.86 0.00 0.00 177.93 179.91 1jjr h ILE 56 N -0.22 1.02 0.00 2.45 2.04 0.69 0.23 117.51 123.72 1jjr h ILE 56 Ca -0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1jjr h ILE 56 Cb 0.17 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1jjr h ILE 56 CO 0.03 0.16 0.00 -0.24 0.00 0.00 0.00 178.15 178.10 1jjr n SER 57 N -4.67 0.00 0.11 1.72 2.88 0.15 -3.70 113.62 110.11 1jjr n SER 57 Ca 0.11 0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 58.21 1jjr n SER 57 Cb 0.18 -0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.19 0.00 -1.46 2.10 -1.52 -3.48 116.57 112.02 1jjr h LYS 58 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1jjr h LYS 58 Cb 0.00 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1jjr h LYS 58 CO 0.00 -0.09 0.00 0.41 -2.00 0.00 0.00 179.45 177.77 1jjr n GLY 59 N -1.04 0.68 0.00 0.07 0.00 0.68 -5.06 105.19 100.51 1jjr n GLY 59 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.00 0.33 2.61 -1.04 -0.31 -4.67 114.28 111.20 1jjr n THR 60 Ca 0.00 -0.40 0.22 0.00 -2.04 0.00 0.00 64.05 61.83 1jjr n THR 60 Cb 0.00 1.12 1.17 0.00 -1.82 0.00 0.00 70.33 70.81 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 0.00 0.00 -2.86 -4.42 5.85 -1.89 -0.04 115.31 111.95 1jjr h LEU 61 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1jjr h LEU 61 Cb 0.06 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1jjr h LEU 61 CO 0.00 0.00 0.12 0.61 -0.34 0.00 0.00 178.44 178.83 1jjr n GLY 62 N -1.12 2.80 0.08 3.75 0.00 -1.26 -4.26 105.19 105.19 1jjr n GLY 62 Ca -0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.13 0.49 -1.02 1.61 5.02 -0.03 -4.96 118.16 119.41 1jjr n LYS 63 Ca 0.24 0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 1jjr n LYS 63 Cb 0.99 -1.67 0.09 0.00 -0.02 0.00 0.00 35.03 34.41 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 -4.55 -1.77 -0.65 2.13 3.72 -1.26 -4.99 117.46 110.09 1jjr n PHE 64 Ca -0.15 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1jjr n PHE 64 Cb 0.40 -1.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 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 -2.92 0.00 0.01 4.37 -2.24 -1.26 -4.82 114.28 107.42 1jjr n THR 65 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 1jjr n THR 65 Cb 0.52 -1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.63 -0.74 2.28 2.07 -1.94 -2.34 116.25 114.97 1jjr h VAL 66 Ca 0.00 -1.27 0.21 0.00 0.82 0.00 0.00 66.70 66.47 1jjr h VAL 66 Cb 0.00 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1jjr h VAL 66 CO 0.00 0.19 0.55 1.55 0.02 0.00 0.00 177.57 179.88 1jjr h PRO 67 N -0.98 0.00 0.20 1.57 0.13 -1.97 0.78 132.00 131.74 1jjr h PRO 67 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.83 1jjr h PRO 67 Cb 0.42 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.59 1jjr h PRO 67 CO 0.02 0.00 -1.24 0.52 -0.23 0.00 0.00 178.00 177.08 1jjr h MET 68 N 0.00 0.48 -0.43 0.86 2.86 -1.94 -3.28 114.93 113.47 1jjr h MET 68 Ca 0.35 -0.79 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1jjr h MET 68 Cb 1.44 0.29 -0.02 0.00 0.06 0.00 0.00 31.60 33.37 1jjr h MET 68 CO -0.00 1.37 0.21 -0.07 1.06 0.00 0.00 176.91 179.47 1jjr h LEU 69 N -0.01 0.53 -1.18 1.22 3.38 -0.36 -2.20 115.31 116.70 1jjr h LEU 69 Ca -0.21 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 57.87 1jjr h LEU 69 Cb 1.97 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.50 1jjr h LEU 69 CO 0.23 0.46 0.60 0.11 0.09 0.00 0.00 178.44 179.93 1jjr h LYS 70 N 0.60 0.72 -0.28 1.13 1.79 -1.08 -1.60 116.57 117.85 1jjr h LYS 70 Ca 0.15 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.63 1jjr h LYS 70 Cb 0.07 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.51 1jjr h LYS 70 CO -0.02 0.48 -0.04 0.93 -1.08 0.00 0.00 179.45 179.72 1jjr h GLU 71 N 0.74 0.03 -0.24 3.15 4.39 -1.52 0.18 114.58 121.32 1jjr h GLU 71 Ca 0.50 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.23 1jjr h GLU 71 Cb 0.78 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1jjr h GLU 71 CO -0.26 0.02 0.05 0.00 -1.16 0.00 0.00 179.01 177.66 1jjr h ALA 72 N 1.26 0.24 -1.01 3.43 0.00 -1.41 -1.05 119.26 120.72 1jjr h ALA 72 Ca 0.13 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jjr h ALA 72 Cb 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1jjr h ALA 72 CO -0.26 -0.37 0.67 0.00 0.00 0.00 0.00 179.25 179.28 1jjr h ARG 74 N 1.35 0.91 0.01 0.00 1.12 0.10 0.18 114.38 118.04 1jjr h ARG 74 Ca 0.37 -0.09 -0.20 0.00 -1.11 0.00 0.00 59.98 58.95 1jjr h ARG 74 Cb -0.13 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 29.62 1jjr h ARG 74 CO -0.09 0.66 -0.97 0.00 -3.11 0.00 0.00 179.97 176.46 1jjr h ALA 75 N 1.50 0.41 -0.11 2.80 0.00 -0.23 -3.14 119.26 120.48 1jjr h ALA 75 Ca 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1jjr h ALA 75 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jjr h ALA 75 CO -0.04 1.17 0.00 0.66 0.00 0.00 0.00 179.25 181.04 1jjr n TYR 76 N -3.42 0.15 -1.31 0.00 4.02 0.72 -4.88 117.16 112.43 1jjr n TYR 76 Ca -0.01 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.90 57.70 1jjr n TYR 76 Cb 0.90 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.18 1jjr n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jjr n GLY 77 N 0.95 1.08 3.94 2.72 0.00 -0.26 -4.98 105.19 108.64 1jjr n GLY 77 Ca 0.14 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.39 2.76 -0.17 0.99 2.01 0.46 -5.01 118.68 117.33 1jjr s LEU 78 Ca 0.00 0.16 0.13 0.00 0.01 0.00 0.00 54.13 54.43 1jjr s LEU 78 Cb 0.00 -2.19 -0.24 0.00 0.01 0.00 0.00 46.19 43.78 1jjr s LEU 78 CO 0.00 -2.73 0.19 2.29 1.01 0.00 0.00 176.35 177.11 1jjr n LYS 79 N -3.72 0.67 -1.06 1.70 2.85 -1.26 -4.60 118.16 112.73 1jjr n LYS 79 Ca 0.16 0.10 0.14 0.00 -1.05 0.00 0.00 58.31 57.65 1jjr n LYS 79 Cb 0.59 -1.59 -0.05 0.00 -0.65 0.00 0.00 35.03 33.33 1jjr n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1jjr n SER 80 N -2.93 -6.35 -3.73 -5.58 3.41 -1.26 -5.01 113.62 92.17 1jjr n SER 80 Ca -0.31 0.78 -0.14 0.00 -0.26 0.00 0.00 58.87 58.95 1jjr n SER 80 Cb 1.11 -3.46 -0.08 0.00 -0.26 0.00 0.00 64.21 61.52 1jjr n SER 80 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jjr s GLY 81 N -6.64 -0.21 -1.50 5.00 0.00 -1.26 -4.97 107.32 97.75 1jjr s GLY 81 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.99 1jjr s GLY 81 CO 0.00 0.17 2.43 1.04 0.00 0.00 0.00 173.10 176.74 1jjr n LEU 82 N 1.09 7.43 0.00 0.66 4.32 -1.26 -3.73 117.00 125.52 1jjr n LEU 82 Ca -0.21 -4.24 0.00 0.00 -0.02 0.00 0.00 56.01 51.54 1jjr n LEU 82 Cb 0.57 -1.62 0.00 0.00 -1.62 0.00 0.00 43.42 40.75 1jjr n LEU 82 CO 0.22 1.42 0.04 1.17 -1.22 0.00 0.00 177.39 179.02 1jjr n LYS 83 N 5.21 0.00 0.00 3.23 4.81 -1.26 -5.06 118.16 125.08 1jjr n LYS 83 Ca 0.59 -0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1jjr n LYS 83 Cb 0.34 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.29 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 -0.34 1.64 0.00 -1.24 -3.94 118.16 114.27 1jjr n LYS 84 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 58.31 58.60 1jjr n LYS 84 Cb 0.46 0.00 0.61 0.00 0.00 0.00 0.00 35.03 36.10 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1jjr h GLN 85 N 0.00 0.21 -0.76 1.64 4.15 -1.96 0.25 115.11 118.64 1jjr h GLN 85 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1jjr h GLN 85 Cb 0.00 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 1jjr h GLN 85 CO 0.00 0.14 0.50 1.49 -1.93 0.00 0.00 178.83 179.03 1jjr h GLU 86 N 0.21 0.98 -0.57 1.69 4.57 -1.85 -2.11 114.58 117.50 1jjr h GLU 86 Ca 0.61 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.73 1jjr h GLU 86 Cb 1.92 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 30.26 1jjr h GLU 86 CO -0.20 0.65 0.33 -0.07 -1.18 0.00 0.00 179.01 178.54 1jjr h LEU 87 N 1.01 0.70 -0.21 1.64 4.07 -0.71 -2.45 115.31 119.36 1jjr h LEU 87 Ca 0.28 -0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.23 1jjr h LEU 87 Cb -0.09 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.40 1jjr h LEU 87 CO -0.07 0.56 -0.26 -0.07 -1.08 0.00 0.00 178.44 177.52 1jjr h LEU 88 N 0.77 -0.84 -0.30 1.67 4.07 -1.20 -0.80 115.31 118.69 1jjr h LEU 88 Ca 0.20 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.37 1jjr h LEU 88 Cb 0.00 0.38 -0.08 0.00 1.08 0.00 0.00 40.66 42.05 1jjr h LEU 88 CO -0.04 -0.30 -0.26 -0.33 -1.08 0.00 0.00 178.44 176.44 1jjr h GLU 89 N -0.29 -0.22 -0.76 1.13 5.08 -1.06 0.94 114.58 119.39 1jjr h GLU 89 Ca 0.12 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 1jjr h GLU 89 Cb 0.48 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 1jjr h GLU 89 CO -0.37 -0.15 0.33 0.00 -1.00 0.00 0.00 179.01 177.82 1jjr h ALA 90 N 0.84 1.08 0.59 3.43 0.00 -0.93 0.71 119.26 124.98 1jjr h ALA 90 Ca 0.16 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1jjr h ALA 90 Cb 0.48 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jjr h ALA 90 CO -0.44 -0.16 -0.29 -0.07 0.00 0.00 0.00 179.25 178.30 1jjr h LEU 91 N 0.50 -0.68 -0.11 0.00 3.38 0.41 -2.42 115.31 116.39 1jjr h LEU 91 Ca 0.41 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1jjr h LEU 91 Cb 0.58 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1jjr h LEU 91 CO -0.37 -0.30 -0.43 0.74 0.09 0.00 0.00 178.44 178.17 1jjr h THR 92 N -1.12 0.14 -1.04 0.22 2.02 0.13 0.13 112.91 113.40 1jjr h THR 92 Ca -0.08 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.39 1jjr h THR 92 Cb 0.66 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1jjr h THR 92 CO 0.13 0.00 0.73 0.50 0.37 0.00 0.00 175.52 177.25 1jjr h LYS 93 N -0.51 0.12 -0.02 6.66 3.64 0.35 1.23 116.57 128.04 1jjr h LYS 93 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1jjr h LYS 93 Cb 0.63 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1jjr h LYS 93 CO -0.39 0.08 0.00 1.58 -2.27 0.00 0.00 179.45 178.45 1jjr n HIS 94 N -4.34 0.01 -1.98 1.91 -0.00 0.40 -3.88 115.22 107.34 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 1.03 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.90 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 -0.34 0.00 -2.20 1.57 3.72 0.33 -5.03 117.46 115.51 1jjr n PHE 95 Ca 0.21 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.29 1jjr n PHE 95 Cb 0.24 0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 1jjr n PHE 95 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1jjr s GLN 96 N 0.00 2.89 0.00 -1.08 -2.07 0.34 -4.98 119.66 114.75 1jjr s GLN 96 Ca 0.00 -1.19 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 1jjr s GLN 96 Cb 0.00 -5.28 0.00 0.00 -1.09 0.00 0.00 33.01 26.64 1jjr s GLN 96 CO 0.00 -3.41 0.00 -0.40 -1.32 0.00 0.00 175.29 170.16