#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 1.30 -2.32 -0.18 2.07 -2.06 -3.48 116.25 111.59 1jjr h VAL 45 Ca 0.00 -2.06 -0.30 0.00 0.82 0.00 0.00 66.70 65.16 1jjr h VAL 45 Cb 0.00 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1jjr h VAL 45 CO 0.00 0.64 -0.39 -0.62 0.02 0.00 0.00 177.57 177.22 1jjr n GLU 46 N -3.90 -1.53 -3.38 1.57 4.71 -1.26 -3.16 120.64 113.69 1jjr n GLU 46 Ca -0.07 0.72 -0.18 0.00 -0.01 0.00 0.00 57.16 57.62 1jjr n GLU 46 Cb 0.76 -5.06 0.07 0.00 -1.01 0.00 0.00 31.44 26.20 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1jjr n TYR 47 N -4.04 -2.29 -0.03 -0.32 4.02 -1.26 -4.79 117.16 108.45 1jjr n TYR 47 Ca -0.17 0.81 -0.14 0.00 -0.01 0.00 0.00 57.90 58.39 1jjr n TYR 47 Cb 0.63 -4.20 -0.10 0.00 -0.02 0.00 0.00 39.34 35.65 1jjr n TYR 47 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1jjr h SER 48 N -1.40 0.21 0.00 7.72 4.64 -1.96 -3.44 113.55 119.33 1jjr h SER 48 Ca -0.62 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.06 1jjr h SER 48 Cb 1.33 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1jjr h SER 48 CO 0.47 0.82 0.00 -1.84 -0.87 0.00 0.00 176.83 175.41 1jjr n GLU 49 N -4.59 0.00 0.15 4.77 0.28 -1.26 -4.99 120.64 114.99 1jjr n GLU 49 Ca -0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.78 1jjr n GLU 49 Cb 0.41 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 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 -0.51 -0.70 3.44 -0.00 -1.98 1.09 114.58 115.92 1jjr h GLU 50 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 59.36 59.41 1jjr h GLU 50 Cb 0.00 0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 28.83 1jjr h GLU 50 CO 0.00 -0.34 0.46 1.49 -0.00 0.00 0.00 179.01 180.62 1jjr h GLU 51 N -0.53 0.90 0.11 1.06 4.57 -1.95 0.09 114.58 118.83 1jjr h GLU 51 Ca 0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1jjr h GLU 51 Cb 0.52 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1jjr h GLU 51 CO -0.10 0.59 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.16 1jjr h LEU 52 N 0.92 -0.23 -0.64 1.64 3.38 -1.78 0.17 115.31 118.77 1jjr h LEU 52 Ca 0.27 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.35 1jjr h LEU 52 Cb -0.07 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1jjr h LEU 52 CO -0.07 -0.14 0.27 0.11 0.09 0.00 0.00 178.44 178.70 1jjr h LYS 53 N -0.21 0.46 -0.80 1.13 1.79 0.17 0.32 116.57 119.43 1jjr h LYS 53 Ca -0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1jjr h LYS 53 Cb 0.19 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1jjr h LYS 53 CO -0.01 0.30 0.47 0.00 -1.08 0.00 0.00 179.45 179.13 1jjr h THR 54 N 0.47 1.23 0.06 -0.16 1.03 -0.55 -0.20 112.91 114.79 1jjr h THR 54 Ca 0.32 -0.53 -0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1jjr h THR 54 Cb 0.37 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 1jjr h THR 54 CO -0.29 0.25 -0.03 0.45 -0.01 0.00 0.00 175.52 175.89 1jjr h HIS 55 N 1.11 -0.08 -0.79 0.00 3.86 0.15 -2.25 115.15 117.14 1jjr h HIS 55 Ca 0.29 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.53 1jjr h HIS 55 Cb -0.02 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 1jjr h HIS 55 CO -0.00 -0.01 0.50 0.97 0.86 0.00 0.00 177.93 180.24 1jjr h ILE 56 N -0.12 1.09 0.00 2.45 2.10 -0.11 0.13 117.51 123.05 1jjr h ILE 56 Ca -0.01 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1jjr h ILE 56 Cb 0.10 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.88 1jjr h ILE 56 CO 0.01 0.17 0.00 -0.24 -1.08 0.00 0.00 178.15 177.02 1jjr n SER 57 N -4.62 0.00 0.05 2.19 2.88 -0.12 -4.19 113.62 109.82 1jjr n SER 57 Ca 0.10 0.67 -0.02 0.00 -1.33 0.00 0.00 58.87 58.28 1jjr n SER 57 Cb 0.11 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.39 1jjr n SER 57 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jjr h LYS 58 N 0.00 -0.13 0.00 -1.46 1.57 -1.45 -3.48 116.57 111.61 1jjr h LYS 58 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jjr h LYS 58 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jjr h LYS 58 CO 0.00 -0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.20 1jjr n GLY 59 N -0.71 0.00 0.00 3.86 0.00 0.41 -5.04 105.19 103.72 1jjr n GLY 59 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.29 2.61 -2.24 -0.99 -4.30 114.28 109.65 1jjr n THR 60 Ca 0.00 -0.05 0.17 0.00 -2.27 0.00 0.00 64.05 61.90 1jjr n THR 60 Cb 0.00 0.96 0.97 0.00 -2.10 0.00 0.00 70.33 70.16 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 -1.64 3.22 6.46 -1.91 0.17 115.31 121.61 1jjr h LEU 61 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1jjr h LEU 61 Cb 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1jjr h LEU 61 CO 0.00 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.43 1jjr n GLY 62 N -1.28 1.14 0.10 3.75 0.00 -1.26 -4.15 105.19 103.49 1jjr n GLY 62 Ca -0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 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 0.59 0.53 -1.32 1.61 4.76 0.59 -4.96 118.16 119.96 1jjr n LYS 63 Ca 0.14 0.49 -0.37 0.00 -2.87 0.00 0.00 58.31 55.69 1jjr n LYS 63 Cb 0.42 -1.67 0.05 0.00 -1.84 0.00 0.00 35.03 31.99 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1jjr n PHE 64 N -4.48 -1.36 -0.45 2.13 3.72 -1.25 -4.98 117.46 110.79 1jjr n PHE 64 Ca -0.25 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1jjr n PHE 64 Cb 0.55 -1.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 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 -2.00 0.00 0.02 4.37 -2.24 -1.26 -4.81 114.28 108.36 1jjr n THR 65 Ca 0.10 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1jjr n THR 65 Cb 0.49 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.99 0.36 -1.16 2.28 2.07 -1.94 -2.51 116.25 114.36 1jjr h VAL 66 Ca 0.00 -1.10 0.34 0.00 0.82 0.00 0.00 66.70 66.76 1jjr h VAL 66 Cb 0.00 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1jjr h VAL 66 CO 0.00 0.11 0.84 1.55 0.02 0.00 0.00 177.57 180.09 1jjr h PRO 67 N -1.01 0.00 0.22 1.57 0.13 -1.97 0.35 132.00 131.29 1jjr h PRO 67 Ca -0.02 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.82 1jjr h PRO 67 Cb 0.31 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.47 1jjr h PRO 67 CO 0.03 0.00 -1.29 0.52 -0.23 0.00 0.00 178.00 177.03 1jjr h MET 68 N 0.00 0.46 -0.01 0.86 2.86 -1.94 -3.26 114.93 113.90 1jjr h MET 68 Ca 0.55 -0.79 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1jjr h MET 68 Cb 2.22 0.30 -0.00 0.00 0.06 0.00 0.00 31.60 34.18 1jjr h MET 68 CO -0.01 1.38 0.01 -0.07 1.06 0.00 0.00 176.91 179.28 1jjr h LEU 69 N -0.02 0.02 -1.87 1.22 3.38 0.05 -2.04 115.31 116.05 1jjr h LEU 69 Ca -0.23 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 57.93 1jjr h LEU 69 Cb 2.01 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.71 1jjr h LEU 69 CO 0.23 0.07 0.62 0.11 0.09 0.00 0.00 178.44 179.57 1jjr h LYS 70 N -0.04 0.10 0.13 1.13 1.57 -1.01 -0.87 116.57 117.58 1jjr h LYS 70 Ca 0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1jjr h LYS 70 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jjr h LYS 70 CO -0.00 0.07 -0.21 1.49 -0.57 0.00 0.00 179.45 180.23 1jjr h GLU 71 N 0.10 -0.39 -0.43 3.15 4.81 -1.40 0.42 114.58 120.84 1jjr h GLU 71 Ca 0.43 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.72 1jjr h GLU 71 Cb 1.56 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.99 1jjr h GLU 71 CO -0.05 -0.26 0.22 0.00 -0.73 0.00 0.00 179.01 178.19 1jjr h ALA 72 N 0.38 0.54 -0.93 2.92 0.00 -1.18 -1.30 119.26 119.69 1jjr h ALA 72 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jjr h ALA 72 Cb 0.42 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1jjr h ALA 72 CO -0.10 -0.13 0.60 0.00 0.00 0.00 0.00 179.25 179.62 1jjr h ARG 74 N 1.27 0.84 -0.02 0.00 2.43 0.62 0.23 114.38 119.73 1jjr h ARG 74 Ca 0.34 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 59.20 1jjr h ARG 74 Cb -0.13 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1jjr h ARG 74 CO -0.07 0.62 -0.90 0.00 -1.51 0.00 0.00 179.97 178.10 1jjr h ALA 75 N 1.52 0.38 -0.13 2.80 0.00 -0.39 -3.06 119.26 120.38 1jjr h ALA 75 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jjr h ALA 75 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jjr h ALA 75 CO -0.03 0.78 0.00 0.66 0.00 0.00 0.00 179.25 180.66 1jjr n TYR 76 N -3.79 0.16 -2.89 0.00 4.02 0.13 -4.90 117.16 109.89 1jjr n TYR 76 Ca -0.07 -0.08 -0.21 0.00 -0.01 0.00 0.00 57.90 57.53 1jjr n TYR 76 Cb 0.81 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.15 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 0.94 -0.51 0.07 2.72 0.00 0.20 -4.98 105.19 103.63 1jjr n GLY 77 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.63 0.00 -2.24 0.99 7.99 0.55 -5.02 117.00 115.64 1jjr n LEU 78 Ca -0.13 -0.03 0.01 0.00 -0.01 0.00 0.00 56.01 55.86 1jjr n LEU 78 Cb 0.62 -0.02 0.04 0.00 -0.11 0.00 0.00 43.42 43.95 1jjr n LEU 78 CO 0.41 -0.52 0.06 1.17 -1.51 0.00 0.00 177.39 177.00 1jjr n LYS 79 N -1.05 0.97 0.00 3.23 0.00 -1.26 -4.83 118.16 115.21 1jjr n LYS 79 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 58.31 55.60 1jjr n LYS 79 Cb 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 35.03 34.24 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 -0.19 -0.07 0.00 3.14 2.88 -1.26 -5.03 113.62 113.09 1jjr n SER 80 Ca 0.04 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1jjr n SER 80 Cb 0.94 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 4.30 0.60 0.00 0.46 0.00 -1.26 -5.01 105.19 104.28 1jjr n GLY 81 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.07 0.99 4.77 -1.26 -5.03 117.00 116.54 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 1.17 -1.33 0.00 0.00 177.39 177.23 1jjr n LYS 83 N -1.40 0.00 0.00 3.23 4.81 -1.26 -5.08 118.16 118.45 1jjr n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jjr n LYS 83 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 -2.80 0.00 -0.33 1.64 4.81 -1.26 -4.80 118.16 115.42 1jjr n LYS 84 Ca 0.00 0.00 0.36 0.00 -0.87 0.00 0.00 58.31 57.80 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 -0.91 1.64 4.15 -1.97 0.33 115.11 118.35 1jjr h GLN 85 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1jjr h GLN 85 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 1jjr h GLN 85 CO 0.00 0.00 0.59 1.49 -1.93 0.00 0.00 178.83 178.98 1jjr h GLU 86 N 0.00 1.01 -0.36 1.69 4.57 -1.98 -1.69 114.58 117.82 1jjr h GLU 86 Ca 0.58 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.68 1jjr h GLU 86 Cb 2.32 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 30.66 1jjr h GLU 86 CO -0.01 0.67 0.18 -0.07 -1.18 0.00 0.00 179.01 178.61 1jjr h LEU 87 N 1.04 0.47 -0.41 1.64 3.38 -0.73 -2.57 115.31 118.13 1jjr h LEU 87 Ca 0.39 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.33 1jjr h LEU 87 Cb 0.18 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1jjr h LEU 87 CO -0.14 0.45 -0.16 -0.07 0.09 0.00 0.00 178.44 178.60 1jjr h LEU 88 N 0.45 -0.56 -0.14 1.67 4.07 -1.35 -0.52 115.31 118.93 1jjr h LEU 88 Ca 0.13 0.14 0.05 0.00 0.08 0.00 0.00 57.88 58.28 1jjr h LEU 88 Cb 0.10 0.32 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 1jjr h LEU 88 CO -0.02 -0.20 -0.33 -0.33 -1.08 0.00 0.00 178.44 176.49 1jjr h GLU 89 N -0.08 -0.38 -0.87 1.13 4.39 -1.15 0.91 114.58 118.53 1jjr h GLU 89 Ca 0.20 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.09 1jjr h GLU 89 Cb 0.38 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.02 1jjr h GLU 89 CO -0.47 -0.26 0.46 0.00 -1.16 0.00 0.00 179.01 177.58 1jjr h ALA 90 N 0.41 1.34 0.68 3.43 0.00 -0.96 0.33 119.26 124.49 1jjr h ALA 90 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1jjr h ALA 90 Cb 0.55 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jjr h ALA 90 CO -0.36 -0.10 -0.33 -0.07 0.00 0.00 0.00 179.25 178.39 1jjr h LEU 91 N 0.62 -0.78 -0.36 0.00 3.38 0.52 -2.70 115.31 115.99 1jjr h LEU 91 Ca 0.49 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.54 1jjr h LEU 91 Cb 0.72 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1jjr h LEU 91 CO -0.38 -0.40 -0.35 0.74 0.09 0.00 0.00 178.44 178.14 1jjr h THR 92 N -1.22 0.21 -1.06 0.22 2.02 0.13 0.23 112.91 113.45 1jjr h THR 92 Ca -0.09 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.36 1jjr h THR 92 Cb 0.72 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.24 1jjr h THR 92 CO 0.15 0.00 0.68 0.50 0.37 0.00 0.00 175.52 177.23 1jjr h LYS 93 N -0.29 0.35 -0.11 6.66 3.64 -0.43 1.43 116.57 127.82 1jjr h LYS 93 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1jjr h LYS 93 Cb 0.55 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1jjr h LYS 93 CO -0.52 0.23 0.00 1.58 -2.27 0.00 0.00 179.45 178.47 1jjr n HIS 94 N -4.60 0.14 -1.83 1.91 -0.00 0.75 -3.69 115.22 107.89 1jjr n HIS 94 Ca 0.26 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.37 1jjr n HIS 94 Cb 0.92 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.79 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 -0.16 0.00 -1.35 1.57 3.72 0.40 -5.06 117.46 116.58 1jjr n PHE 95 Ca 0.13 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 1jjr n PHE 95 Cb 0.19 0.06 0.18 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.17 0.00 -1.08 -0.44 0.35 -4.98 119.66 113.68 1jjr s GLN 96 Ca 0.00 0.16 0.00 0.00 -2.50 0.00 0.00 55.36 53.02 1jjr s GLN 96 Cb 0.00 -1.74 0.00 0.00 -1.64 0.00 0.00 33.01 29.63 1jjr s GLN 96 CO 0.00 -2.83 0.00 -0.25 0.50 0.00 0.00 175.29 172.71