#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr8 h ASP 8 N 0.00 0.19 -0.64 1.67 1.82 -2.06 -1.86 116.42 115.54 1jr8 h ASP 8 Ca 0.00 -0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.53 1jr8 h ASP 8 Cb 0.00 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 1jr8 h ASP 8 CO 0.00 0.28 0.07 0.11 -1.61 0.00 0.00 179.24 178.09 1jr8 h LYS 9 N 0.20 1.09 0.26 0.28 1.57 -2.05 -2.59 116.57 115.32 1jr8 h LYS 9 Ca 0.05 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1jr8 h LYS 9 Cb 0.24 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1jr8 h LYS 9 CO 0.01 1.01 -0.15 0.28 -0.57 0.00 0.00 179.45 180.04 1jr8 h VAL 10 N 1.01 0.69 -0.90 0.50 2.07 -1.78 -0.43 116.25 117.41 1jr8 h VAL 10 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1jr8 h VAL 10 Cb 0.48 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1jr8 h VAL 10 CO 0.02 0.00 0.54 0.50 0.02 0.00 0.00 177.57 178.65 1jr8 h LYS 11 N -0.38 0.87 -0.28 1.57 3.64 -1.42 -0.00 116.57 120.57 1jr8 h LYS 11 Ca -0.03 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1jr8 h LYS 11 Cb 0.31 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1jr8 h LYS 11 CO 0.04 0.58 -0.04 0.87 -2.27 0.00 0.00 179.45 178.62 1jr8 h LYS 12 N 0.90 0.52 -0.77 1.90 1.79 -1.16 -1.16 116.57 118.60 1jr8 h LYS 12 Ca 0.43 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1jr8 h LYS 12 Cb 0.38 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 1jr8 h LYS 12 CO -0.25 0.71 0.42 0.93 -1.08 0.00 0.00 179.45 180.19 1jr8 h GLU 13 N 0.29 1.07 -0.50 3.15 4.39 -0.35 -0.11 114.58 122.52 1jr8 h GLU 13 Ca 0.07 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1jr8 h GLU 13 Cb 0.50 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1jr8 h GLU 13 CO 0.02 0.79 -0.02 0.28 -1.16 0.00 0.00 179.01 178.93 1jr8 h VAL 14 N 1.06 1.26 -0.38 3.13 2.07 -0.96 -2.19 116.25 120.25 1jr8 h VAL 14 Ca 0.27 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1jr8 h VAL 14 Cb 0.03 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1jr8 h VAL 14 CO -0.04 0.39 0.20 1.23 0.02 0.00 0.00 177.57 179.37 1jr8 h GLY 15 N 0.75 0.57 1.00 2.17 0.00 -0.74 -0.21 103.07 106.61 1jr8 h GLY 15 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1jr8 h GLY 15 CO 0.03 0.25 0.34 3.21 0.00 0.00 0.00 176.54 180.37 1jr8 h ARG 16 N 0.48 0.69 -0.65 4.80 3.08 -0.94 -0.81 114.38 121.03 1jr8 h ARG 16 Ca 0.13 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1jr8 h ARG 16 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1jr8 h ARG 16 CO -0.02 0.46 0.27 0.00 -1.07 0.00 0.00 179.97 179.62 1jr8 h ALA 17 N 1.18 0.84 -0.42 0.04 0.00 -1.20 -1.70 119.26 118.00 1jr8 h ALA 17 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jr8 h ALA 17 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jr8 h ALA 17 CO -0.04 0.45 0.19 0.77 0.00 0.00 0.00 179.25 180.62 1jr8 h SER 18 N 0.91 0.56 -0.64 0.00 0.02 -0.59 -2.00 113.55 111.83 1jr8 h SER 18 Ca 0.22 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1jr8 h SER 18 Cb 0.19 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1jr8 h SER 18 CO -0.02 0.55 0.09 -0.50 -1.14 0.00 0.00 176.83 175.82 1jr8 h TRP 19 N 0.53 1.15 -0.36 3.45 -0.00 -1.00 0.83 115.95 120.55 1jr8 h TRP 19 Ca 0.14 -0.16 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1jr8 h TRP 19 Cb 0.15 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 28.97 1jr8 h TRP 19 CO -0.01 0.97 0.18 -0.22 -0.00 0.00 0.00 178.44 179.36 1jr8 h LYS 20 N 1.01 0.35 0.03 0.49 1.63 -1.08 -0.12 116.57 118.88 1jr8 h LYS 20 Ca 0.20 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1jr8 h LYS 20 Cb 0.45 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1jr8 h LYS 20 CO 0.01 0.23 -0.01 -0.92 -3.45 0.00 0.00 179.45 175.31 1jr8 h TYR 21 N 0.36 -0.03 -0.01 1.91 3.20 -1.13 -2.52 116.97 118.75 1jr8 h TYR 21 Ca 0.15 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1jr8 h TYR 21 Cb 0.06 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1jr8 h TYR 21 CO -0.10 0.09 -0.34 0.35 -1.64 0.00 0.00 178.16 176.52 1jr8 h PHE 22 N -0.15 -0.93 0.00 -3.82 3.57 -0.47 0.15 116.94 115.29 1jr8 h PHE 22 Ca -0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1jr8 h PHE 22 Cb 0.14 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1jr8 h PHE 22 CO -0.04 -0.43 -0.35 0.45 -2.23 0.00 0.00 178.31 175.71 1jr8 h HIS 23 N -0.49 0.00 -0.10 0.41 3.86 -1.07 -2.21 115.15 115.55 1jr8 h HIS 23 Ca 0.06 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.05 1jr8 h HIS 23 Cb 0.58 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.06 1jr8 h HIS 23 CO -0.36 0.35 -0.83 1.15 0.86 0.00 0.00 177.93 179.10 1jr8 h THR 24 N 0.00 1.30 -0.36 2.45 2.02 -1.05 -2.22 112.91 115.05 1jr8 h THR 24 Ca -0.00 -2.09 0.01 0.00 0.77 0.00 0.00 66.41 65.10 1jr8 h THR 24 Cb 0.63 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1jr8 h THR 24 CO 0.05 0.65 0.23 0.25 0.37 0.00 0.00 175.52 177.06 1jr8 h LEU 25 N 0.45 0.39 -0.90 2.58 6.46 -0.69 -2.17 115.31 121.42 1jr8 h LEU 25 Ca -0.07 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.62 1jr8 h LEU 25 Cb 1.46 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.27 1jr8 h LEU 25 CO 0.16 0.28 0.04 -0.07 -0.62 0.00 0.00 178.44 178.24 1jr8 h LEU 26 N 0.47 0.82 -0.58 2.25 3.38 -1.40 -2.55 115.31 117.69 1jr8 h LEU 26 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jr8 h LEU 26 Cb -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1jr8 h LEU 26 CO -0.04 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1jr8 h ALA 27 N 1.24 1.00 -0.02 1.53 0.00 -1.08 -2.82 119.26 119.11 1jr8 h ALA 27 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jr8 h ALA 27 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jr8 h ALA 27 CO 0.01 0.00 -0.28 0.54 0.00 0.00 0.00 179.25 179.53 1jr8 n ARG 28 N -2.31 1.62 -1.42 0.00 5.12 -0.85 -4.95 116.66 113.87 1jr8 n ARG 28 Ca 0.03 -1.31 -0.33 0.00 -1.93 0.00 0.00 57.85 54.30 1jr8 n ARG 28 Cb 0.28 -1.47 0.09 0.00 -1.16 0.00 0.00 32.46 30.20 1jr8 n ARG 28 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1jr8 s PHE 29 N -2.29 2.20 0.68 -1.55 5.36 -1.06 -4.96 117.98 116.36 1jr8 s PHE 29 Ca 0.23 1.61 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 1jr8 s PHE 29 Cb 0.19 -3.34 0.01 0.00 -0.34 0.00 0.00 43.02 39.54 1jr8 s PHE 29 CO 0.46 -2.31 1.22 -2.14 -1.46 0.00 0.00 175.22 170.99 1jr8 s PRO 30 N -4.13 2.45 0.18 10.12 0.02 -1.26 -4.36 135.00 138.02 1jr8 s PRO 30 Ca 0.70 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.51 1jr8 s PRO 30 Cb -0.25 -1.87 0.07 0.00 0.02 0.00 0.00 34.50 32.48 1jr8 s PRO 30 CO 0.47 -1.61 1.45 -0.44 -0.33 0.00 0.00 177.00 176.54 1jr8 h ASP 31 N 0.16 0.53 -2.71 2.53 3.32 -1.94 -0.65 116.42 117.67 1jr8 h ASP 31 Ca -0.49 -0.33 -0.61 0.00 0.02 0.00 0.00 57.03 55.63 1jr8 h ASP 31 Cb 1.30 -0.16 -0.41 0.00 0.22 0.00 0.00 39.33 40.29 1jr8 h ASP 31 CO 0.52 1.06 -0.73 -0.62 -1.72 0.00 0.00 179.24 177.75 1jr8 n GLU 32 N -3.88 1.34 -2.11 3.56 1.02 -1.26 -4.33 120.64 114.98 1jr8 n GLU 32 Ca -0.04 -4.04 -0.35 0.00 -0.02 0.00 0.00 57.16 52.72 1jr8 n GLU 32 Cb 0.67 -2.04 0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1jr8 n GLU 32 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jr8 s PRO 33 N -1.09 3.18 0.70 3.49 0.04 -1.26 -5.04 135.00 135.02 1jr8 s PRO 33 Ca 0.29 1.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 1jr8 s PRO 33 Cb 0.01 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.62 1jr8 s PRO 33 CO -0.16 -0.98 1.05 0.95 0.04 0.00 0.00 177.00 177.89 1jr8 s THR 34 N -1.90 2.75 0.28 1.26 -4.23 -1.26 -4.85 115.64 107.68 1jr8 s THR 34 Ca 0.72 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 1jr8 s THR 34 Cb -0.24 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.68 1jr8 s THR 34 CO 0.31 -0.23 1.92 -0.65 -0.54 0.00 0.00 174.62 175.44 1jr8 h PRO 35 N -0.63 1.15 -0.39 3.99 0.11 -1.99 -1.18 132.00 133.07 1jr8 h PRO 35 Ca -0.45 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1jr8 h PRO 35 Cb 1.29 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1jr8 h PRO 35 CO 0.62 0.76 -0.14 0.93 -0.21 0.00 0.00 178.00 179.97 1jr8 h GLU 36 N 1.19 0.70 -0.34 1.05 5.08 -1.99 -1.60 114.58 118.67 1jr8 h GLU 36 Ca 0.38 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1jr8 h GLU 36 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1jr8 h GLU 36 CO -0.12 0.81 -0.30 0.93 -1.00 0.00 0.00 179.01 179.33 1jr8 h GLU 37 N 0.63 0.72 -0.63 2.33 5.08 -1.75 -0.92 114.58 120.04 1jr8 h GLU 37 Ca 0.10 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1jr8 h GLU 37 Cb 0.60 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1jr8 h GLU 37 CO 0.04 0.93 0.15 0.00 -1.00 0.00 0.00 179.01 179.13 1jr8 h ARG 38 N 0.61 1.01 -0.33 2.33 3.08 -0.93 -1.94 114.38 118.20 1jr8 h ARG 38 Ca 0.07 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 1jr8 h ARG 38 Cb 0.82 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1jr8 h ARG 38 CO 0.07 0.91 -0.22 1.49 -1.07 0.00 0.00 179.97 181.15 1jr8 h GLU 39 N 0.93 0.64 -0.54 0.04 4.57 -1.08 -1.56 114.58 117.56 1jr8 h GLU 39 Ca 0.20 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1jr8 h GLU 39 Cb 0.36 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1jr8 h GLU 39 CO 0.00 0.81 0.29 0.87 -1.18 0.00 0.00 179.01 179.80 1jr8 h LYS 40 N 0.56 0.77 -0.56 1.92 1.57 -0.84 -0.06 116.57 119.93 1jr8 h LYS 40 Ca 0.08 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1jr8 h LYS 40 Cb 0.68 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1jr8 h LYS 40 CO 0.05 0.60 0.07 1.25 -0.57 0.00 0.00 179.45 180.86 1jr8 h LEU 41 N 0.73 0.90 -0.25 2.94 5.85 -1.13 0.65 115.31 125.00 1jr8 h LEU 41 Ca 0.19 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1jr8 h LEU 41 Cb 0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1jr8 h LEU 41 CO -0.03 0.95 0.16 -0.74 -0.34 0.00 0.00 178.44 178.43 1jr8 h HIS 42 N 0.83 0.33 -0.66 1.25 2.76 -0.96 -1.23 115.15 117.46 1jr8 h HIS 42 Ca 0.17 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 1jr8 h HIS 42 Cb 0.44 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 1jr8 h HIS 42 CO 0.03 0.24 0.09 1.15 -1.30 0.00 0.00 177.93 178.14 1jr8 h THR 43 N 0.32 1.26 -0.30 6.26 2.02 -0.87 -2.90 112.91 118.71 1jr8 h THR 43 Ca 0.09 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.22 1jr8 h THR 43 Cb -0.00 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1jr8 h THR 43 CO -0.02 0.40 0.16 0.15 0.37 0.00 0.00 175.52 176.58 1jr8 h PHE 44 N 1.03 0.31 -0.88 3.16 3.57 -0.55 -2.37 116.94 121.20 1jr8 h PHE 44 Ca 0.20 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1jr8 h PHE 44 Cb 0.47 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1jr8 h PHE 44 CO 0.03 0.18 0.59 0.82 -2.23 0.00 0.00 178.31 177.70 1jr8 h ILE 45 N 0.34 1.23 -0.49 1.41 1.08 -1.14 0.29 117.51 120.23 1jr8 h ILE 45 Ca 0.12 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1jr8 h ILE 45 Cb 0.01 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.67 1jr8 h ILE 45 CO -0.07 0.22 0.25 1.23 -0.69 0.00 0.00 178.15 179.09 1jr8 h GLY 46 N 1.20 0.75 1.47 5.37 0.00 -1.27 -1.42 103.07 109.17 1jr8 h GLY 46 Ca 0.32 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.14 1jr8 h GLY 46 CO -0.07 0.34 -0.52 1.41 0.00 0.00 0.00 176.54 177.70 1jr8 h LEU 47 N 0.65 0.62 -0.47 3.11 3.38 -0.91 -2.18 115.31 119.50 1jr8 h LEU 47 Ca 0.17 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1jr8 h LEU 47 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1jr8 h LEU 47 CO -0.02 1.03 0.26 0.22 0.09 0.00 0.00 178.44 180.02 1jr8 h TYR 48 N 0.44 0.49 -0.16 1.13 3.20 -0.16 0.41 116.97 122.32 1jr8 h TYR 48 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1jr8 h TYR 48 Cb 1.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1jr8 h TYR 48 CO 0.04 0.27 0.05 0.00 -1.64 0.00 0.00 178.16 176.89 1jr8 h ALA 49 N 1.22 0.21 -0.12 1.82 0.00 -1.15 -2.38 119.26 118.85 1jr8 h ALA 49 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jr8 h ALA 49 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jr8 h ALA 49 CO -0.11 -0.18 -0.16 0.93 0.00 0.00 0.00 179.25 179.74 1jr8 h GLU 50 N 0.09 0.20 -0.24 0.00 5.08 -1.06 -3.08 114.58 115.56 1jr8 h GLU 50 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jr8 h GLU 50 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jr8 h GLU 50 CO -0.00 0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.65 1jr8 n LEU 51 N -4.26 2.89 -4.69 1.33 4.77 0.11 -4.97 117.00 112.17 1jr8 n LEU 51 Ca -0.01 -1.16 -0.45 0.00 -0.03 0.00 0.00 56.01 54.36 1jr8 n LEU 51 Cb 0.28 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1jr8 n LEU 51 CO 0.38 0.58 1.27 0.00 -1.33 0.00 0.00 177.39 178.29 1jr8 n TYR 52 N 1.15 2.45 -0.39 -1.77 9.36 -0.91 -4.82 117.16 122.23 1jr8 n TYR 52 Ca 0.18 0.17 -0.06 0.00 3.32 0.00 0.00 57.90 61.51 1jr8 n TYR 52 Cb 0.54 -2.60 -0.06 0.00 -0.63 0.00 0.00 39.34 36.59 1jr8 n TYR 52 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jr8 n PRO 53 N 3.74 0.82 -3.33 2.98 -0.04 -1.26 -4.55 135.00 133.36 1jr8 n PRO 53 Ca 0.17 -0.45 0.03 0.00 -0.04 0.00 0.00 63.50 63.20 1jr8 n PRO 53 Cb 0.31 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 1jr8 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jr8 h GLY 55 N 7.84 -1.03 1.05 0.00 0.00 -2.00 0.71 103.07 109.64 1jr8 h GLY 55 Ca -0.18 0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1jr8 h GLY 55 CO 0.09 -0.24 0.47 1.05 0.00 0.00 0.00 176.54 177.91 1jr8 h GLU 56 N -0.65 1.24 -0.44 4.80 4.11 -1.98 -2.22 114.58 119.44 1jr8 h GLU 56 Ca 0.02 -0.16 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 1jr8 h GLU 56 Cb 0.71 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1jr8 h GLU 56 CO -0.35 0.92 0.17 0.00 0.07 0.00 0.00 179.01 179.82 1jr8 h SER 58 N 0.57 0.22 -0.28 0.00 0.87 -0.60 0.85 113.55 115.18 1jr8 h SER 58 Ca 0.15 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1jr8 h SER 58 Cb 0.20 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1jr8 h SER 58 CO -0.01 0.18 0.16 0.22 -0.53 0.00 0.00 176.83 176.85 1jr8 h TYR 59 N 0.23 0.30 -0.63 2.24 3.20 -1.30 0.93 116.97 121.95 1jr8 h TYR 59 Ca 0.07 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1jr8 h TYR 59 Cb 0.00 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1jr8 h TYR 59 CO -0.06 0.18 0.40 0.45 -1.64 0.00 0.00 178.16 177.49 1jr8 h HIS 60 N 0.33 0.76 -0.16 -3.82 3.86 -1.07 -2.35 115.15 112.71 1jr8 h HIS 60 Ca 0.11 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 1jr8 h HIS 60 Cb -0.00 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1jr8 h HIS 60 CO -0.08 0.46 -0.52 0.35 0.86 0.00 0.00 177.93 179.00 1jr8 h PHE 61 N 0.81 0.55 -0.63 2.45 3.57 -0.49 -1.59 116.94 121.61 1jr8 h PHE 61 Ca 0.24 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1jr8 h PHE 61 Cb -0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1jr8 h PHE 61 CO -0.04 0.87 0.42 0.28 -2.23 0.00 0.00 178.31 177.61 1jr8 h VAL 62 N 0.35 1.15 -0.35 1.41 2.07 -0.54 -0.71 116.25 119.63 1jr8 h VAL 62 Ca 0.01 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1jr8 h VAL 62 Cb 1.04 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1jr8 h VAL 62 CO 0.09 0.15 -0.22 0.11 0.02 0.00 0.00 177.57 177.73 1jr8 h LYS 63 N 0.84 0.69 -0.48 1.57 1.79 -1.25 -2.82 116.57 116.91 1jr8 h LYS 63 Ca 0.23 -0.27 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1jr8 h LYS 63 Cb -0.08 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1jr8 h LYS 63 CO -0.06 0.85 0.14 -0.07 -1.08 0.00 0.00 179.45 179.24 1jr8 h LEU 64 N 0.60 0.71 -0.50 2.94 3.38 -0.55 -1.96 115.31 119.93 1jr8 h LEU 64 Ca 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jr8 h LEU 64 Cb 0.70 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jr8 h LEU 64 CO 0.05 0.73 0.00 0.16 0.09 0.00 0.00 178.44 179.48 1jr8 h ILE 65 N 0.65 0.00 0.12 1.22 3.07 -1.12 0.34 117.51 121.80 1jr8 h ILE 65 Ca 0.15 -0.40 -0.28 0.00 1.55 0.00 0.00 64.86 65.89 1jr8 h ILE 65 Cb 0.28 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1jr8 h ILE 65 CO -0.00 0.00 -1.26 -0.33 -1.05 0.00 0.00 178.15 175.50 1jr8 h GLU 66 N 0.00 0.26 0.10 0.16 5.08 -1.21 -2.76 114.58 116.22 1jr8 h GLU 66 Ca 0.00 -0.45 -0.23 0.00 -1.00 0.00 0.00 59.36 57.68 1jr8 h GLU 66 Cb 0.55 0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.99 1jr8 h GLU 66 CO 0.00 1.21 -0.95 -0.22 -1.00 0.00 0.00 179.01 178.04 1jr8 h LYS 67 N 0.07 0.47 -3.19 2.33 3.64 -0.90 -3.38 116.57 115.60 1jr8 h LYS 67 Ca -0.14 -0.64 -0.65 0.00 -1.27 0.00 0.00 60.65 57.96 1jr8 h LYS 67 Cb 1.97 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 33.60 1jr8 h LYS 67 CO 0.20 1.27 -0.46 0.71 -2.27 0.00 0.00 179.45 178.90 1jr8 s TYR 68 N -2.86 3.60 0.47 1.91 1.51 0.12 -5.09 117.35 117.00 1jr8 s TYR 68 Ca -0.12 -3.23 -0.24 0.00 -1.01 0.00 0.00 57.07 52.48 1jr8 s TYR 68 Cb 0.03 -2.87 -0.08 0.00 -0.11 0.00 0.00 41.96 38.94 1jr8 s TYR 68 CO 0.87 -0.62 1.28 -2.30 -1.11 0.00 0.00 175.55 173.67 1jr8 n PRO 69 N 2.25 1.81 -1.86 -1.71 -0.02 -1.04 -4.44 135.00 129.99 1jr8 n PRO 69 Ca 0.18 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1jr8 n PRO 69 Cb 0.35 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1jr8 n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jr8 s VAL 70 N -1.25 2.24 -0.23 -1.45 0.11 -1.26 -4.97 120.40 113.59 1jr8 s VAL 70 Ca 0.65 0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 59.75 1jr8 s VAL 70 Cb -0.47 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1jr8 s VAL 70 CO 0.55 0.04 0.43 -1.10 -3.33 0.00 0.00 175.10 171.69 1jr8 s GLN 71 N -1.09 4.11 0.00 1.54 -1.52 -1.26 -4.97 119.66 116.47 1jr8 s GLN 71 Ca 0.58 0.21 0.02 0.00 -1.95 0.00 0.00 55.36 54.21 1jr8 s GLN 71 Cb -0.45 -3.59 0.04 0.00 -0.22 0.00 0.00 33.01 28.78 1jr8 s GLN 71 CO 0.52 -0.17 0.91 0.25 -0.25 0.00 0.00 175.29 176.55 1jr8 n THR 72 N 4.72 0.74 0.28 -0.19 -2.24 -1.26 -3.02 114.28 113.32 1jr8 n THR 72 Ca -0.07 -0.87 0.16 0.00 -2.27 0.00 0.00 64.05 61.00 1jr8 n THR 72 Cb 0.51 0.64 0.84 0.00 -2.10 0.00 0.00 70.33 70.21 1jr8 n THR 72 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1jr8 h SER 73 N 0.31 0.00 -4.99 3.42 4.64 -1.94 -3.45 113.55 111.54 1jr8 h SER 73 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1jr8 h SER 73 Cb 0.41 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.39 1jr8 h SER 73 CO 0.00 0.07 0.46 -0.94 -0.87 0.00 0.00 176.83 175.55 1jr8 s SER 74 N -5.90 -0.29 0.42 4.97 1.04 -1.26 -4.40 113.70 108.28 1jr8 s SER 74 Ca -0.03 -0.20 0.13 0.00 0.48 0.00 0.00 55.95 56.33 1jr8 s SER 74 Cb 0.13 0.46 0.91 0.00 0.10 0.00 0.00 66.02 67.61 1jr8 s SER 74 CO 0.54 -0.79 1.95 0.08 0.98 0.00 0.00 173.24 175.99 1jr8 h ARG 75 N 2.00 0.03 -0.21 4.02 0.11 -1.30 -0.23 114.38 118.80 1jr8 h ARG 75 Ca -0.24 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.82 1jr8 h ARG 75 Cb 1.24 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1jr8 h ARG 75 CO 0.29 0.25 0.06 1.15 0.10 0.00 0.00 179.97 181.81 1jr8 h THR 76 N 0.02 1.19 -0.61 0.08 2.02 -1.88 0.16 112.91 113.90 1jr8 h THR 76 Ca 0.00 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 1jr8 h THR 76 Cb 0.41 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1jr8 h THR 76 CO 0.03 0.19 0.06 0.00 0.37 0.00 0.00 175.52 176.17 1jr8 h ALA 77 N 0.88 0.95 -0.31 6.16 0.00 -1.76 -1.59 119.26 123.59 1jr8 h ALA 77 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1jr8 h ALA 77 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jr8 h ALA 77 CO -0.00 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1jr8 h ALA 78 N 1.10 0.42 -0.55 0.00 0.00 -0.83 -1.06 119.26 118.33 1jr8 h ALA 78 Ca 0.18 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1jr8 h ALA 78 Cb 0.47 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1jr8 h ALA 78 CO 0.02 0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.54 1jr8 h ALA 79 N 0.83 0.73 -0.48 0.00 0.00 -0.61 -0.26 119.26 119.47 1jr8 h ALA 79 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jr8 h ALA 79 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jr8 h ALA 79 CO 0.02 0.48 0.23 0.52 0.00 0.00 0.00 179.25 180.51 1jr8 h MET 80 N 0.81 0.69 -0.82 0.00 2.86 -1.23 -1.10 114.93 116.13 1jr8 h MET 80 Ca 0.17 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1jr8 h MET 80 Cb 0.42 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 1jr8 h MET 80 CO 0.01 0.58 0.52 2.35 1.06 0.00 0.00 176.91 181.42 1jr8 h TRP 81 N 0.63 0.96 -0.78 -0.22 7.01 -0.87 -0.52 115.95 122.15 1jr8 h TRP 81 Ca 0.16 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1jr8 h TRP 81 Cb 0.11 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 1jr8 h TRP 81 CO -0.01 0.51 0.38 0.78 -2.79 0.00 0.00 178.44 177.32 1jr8 h GLY 82 N 0.97 1.20 1.00 2.65 0.00 -0.47 0.23 103.07 108.65 1jr8 h GLY 82 Ca 0.35 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1jr8 h GLY 82 CO -0.15 0.56 0.02 0.00 0.00 0.00 0.00 176.54 176.98 1jr8 h HIS 84 N 0.74 0.67 -0.14 0.00 -0.00 -0.68 -1.32 115.15 114.42 1jr8 h HIS 84 Ca 0.14 -0.07 -0.13 0.00 -0.00 0.00 0.00 60.37 60.31 1jr8 h HIS 84 Cb 0.48 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1jr8 h HIS 84 CO 0.04 0.62 -0.48 0.97 -0.00 0.00 0.00 177.93 179.08 1jr8 h ILE 85 N 0.53 1.33 -0.31 2.45 2.10 -0.89 -1.81 117.51 120.91 1jr8 h ILE 85 Ca 0.13 -1.70 -0.08 0.00 1.08 0.00 0.00 64.86 64.29 1jr8 h ILE 85 Cb 0.27 1.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.74 1jr8 h ILE 85 CO -0.00 0.52 -0.15 -0.74 -1.08 0.00 0.00 178.15 176.69 1jr8 h HIS 86 N 0.30 0.60 0.00 2.19 2.76 -1.13 -1.84 115.15 118.02 1jr8 h HIS 86 Ca 0.02 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.01 1jr8 h HIS 86 Cb 0.96 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1jr8 h HIS 86 CO 0.03 0.67 -0.33 -0.91 -1.30 0.00 0.00 177.93 176.09 1jr8 h ASN 87 N 0.50 0.00 -0.17 3.26 2.35 -0.72 -0.26 115.58 120.54 1jr8 h ASN 87 Ca 0.09 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1jr8 h ASN 87 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1jr8 h ASN 87 CO 0.04 0.33 -0.30 0.11 -1.65 0.00 0.00 177.43 175.96 1jr8 h LYS 88 N 0.00 0.66 -0.36 0.81 1.79 -0.52 0.12 116.57 119.07 1jr8 h LYS 88 Ca -0.00 -0.29 -0.13 0.00 -2.18 0.00 0.00 60.65 58.04 1jr8 h LYS 88 Cb 0.70 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1jr8 h LYS 88 CO 0.04 0.88 -0.29 0.28 -1.08 0.00 0.00 179.45 179.28 1jr8 h VAL 89 N 0.56 1.28 -0.45 0.50 2.07 -0.95 -1.68 116.25 117.59 1jr8 h VAL 89 Ca 0.07 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.15 1jr8 h VAL 89 Cb 0.79 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1jr8 h VAL 89 CO 0.07 0.48 0.26 0.78 0.02 0.00 0.00 177.57 179.18 1jr8 h ASN 90 N 0.63 0.43 -0.51 0.57 2.35 -0.70 -1.00 115.58 117.35 1jr8 h ASN 90 Ca 0.07 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1jr8 h ASN 90 Cb 0.87 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 1jr8 h ASN 90 CO 0.08 0.30 0.27 -0.08 -1.65 0.00 0.00 177.43 176.35 1jr8 h GLU 91 N 0.53 0.51 -0.69 0.81 4.81 -0.63 0.36 114.58 120.28 1jr8 h GLU 91 Ca 0.18 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1jr8 h GLU 91 Cb 0.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1jr8 h GLU 91 CO -0.08 0.34 0.28 -0.92 -0.73 0.00 0.00 179.01 177.90 1jr8 h TYR 92 N 0.53 1.02 -0.28 0.92 3.20 -0.87 -2.20 116.97 119.28 1jr8 h TYR 92 Ca 0.22 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1jr8 h TYR 92 Cb 0.11 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1jr8 h TYR 92 CO -0.09 0.77 0.00 1.28 -1.64 0.00 0.00 178.16 178.48 1jr8 n LEU 93 N -4.30 1.68 -2.59 2.82 4.77 -0.42 -4.91 117.00 114.06 1jr8 n LEU 93 Ca 0.06 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 55.03 1jr8 n LEU 93 Cb 0.17 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1jr8 n LEU 93 CO 0.40 0.40 -0.13 0.29 -1.33 0.00 0.00 177.39 177.02 1jr8 n LYS 94 N 0.39 -3.12 -3.23 3.23 5.02 -0.24 -5.00 118.16 115.21 1jr8 n LYS 94 Ca 0.12 0.93 -0.21 0.00 -2.02 0.00 0.00 58.31 57.13 1jr8 n LYS 94 Cb 0.28 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.67 1jr8 n LYS 94 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jr8 s LYS 95 N -5.32 3.09 0.70 1.97 1.02 0.11 -5.00 119.74 116.31 1jr8 s LYS 95 Ca 0.14 -0.73 -0.15 0.00 0.02 0.00 0.00 55.97 55.25 1jr8 s LYS 95 Cb -0.06 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1jr8 s LYS 95 CO 0.17 -0.11 1.18 -0.51 -0.92 0.00 0.00 175.35 175.17 1jr8 s ASP 96 N -4.19 4.54 -0.17 2.83 1.01 -1.26 -4.32 116.67 115.10 1jr8 s ASP 96 Ca 0.46 2.25 -0.18 0.00 0.71 0.00 0.00 52.55 55.79 1jr8 s ASP 96 Cb -0.10 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1jr8 s ASP 96 CO 0.35 -2.03 0.49 -0.63 0.21 0.00 0.00 175.17 173.56 1jr8 s ILE 97 N -2.06 5.15 0.13 0.77 -1.09 -1.26 -4.83 121.20 118.01 1jr8 s ILE 97 Ca 0.72 0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 59.79 1jr8 s ILE 97 Cb -0.27 -3.82 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1jr8 s ILE 97 CO 0.43 0.24 0.86 -0.47 -1.23 0.00 0.00 174.94 174.77 1jr8 s TYR 98 N 1.22 3.85 -0.04 3.97 5.04 -1.26 -5.03 117.35 125.11 1jr8 s TYR 98 Ca 0.24 1.70 -0.30 0.00 -2.44 0.00 0.00 57.07 56.27 1jr8 s TYR 98 Cb -0.15 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 1jr8 s TYR 98 CO 0.10 0.35 1.22 0.34 -1.34 0.00 0.00 175.55 176.21 1jr8 s ASP 99 N -0.51 7.04 0.00 4.32 -1.08 -1.26 -4.93 116.67 120.24 1jr8 s ASP 99 Ca 0.41 1.87 0.24 0.00 -0.52 0.00 0.00 52.55 54.55 1jr8 s ASP 99 Cb -0.23 -2.56 0.75 0.00 -1.46 0.00 0.00 42.92 39.42 1jr8 s ASP 99 CO 0.28 -0.58 1.56 0.00 0.52 0.00 0.00 175.17 176.95 1jr8 h ALA 101 N 4.28 2.06 -0.30 0.00 0.00 -2.03 -2.62 119.26 120.65 1jr8 h ALA 101 Ca 0.00 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1jr8 h ALA 101 Cb 0.61 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 1jr8 h ALA 101 CO 0.00 -0.30 -0.55 0.25 0.00 0.00 0.00 179.25 178.65 1jr8 n THR 102 N -4.51 2.37 -0.20 0.00 -2.24 -1.26 -4.86 114.28 103.58 1jr8 n THR 102 Ca 0.16 -3.54 0.15 0.00 -2.27 0.00 0.00 64.05 58.55 1jr8 n THR 102 Cb 0.56 -0.57 0.46 0.00 -2.10 0.00 0.00 70.33 68.68 1jr8 n THR 102 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1jr8 h ILE 103 N 1.40 0.80 -0.05 2.28 6.09 -1.76 -0.13 117.51 126.14 1jr8 h ILE 103 Ca 0.16 -0.17 -0.04 0.00 -1.37 0.00 0.00 64.86 63.43 1jr8 h ILE 103 Cb 1.24 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.78 1jr8 h ILE 103 CO 0.32 0.09 -0.14 -0.07 -3.07 0.00 0.00 178.15 175.28 1jr8 h LEU 104 N 0.50 0.21 -1.13 2.19 3.38 -1.89 -3.20 115.31 115.38 1jr8 h LEU 104 Ca 0.40 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1jr8 h LEU 104 Cb 0.83 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1jr8 h LEU 104 CO -0.15 0.78 -0.15 -0.08 0.09 0.00 0.00 178.44 178.93 1jr8 h GLU 105 N -0.36 0.43 -0.49 1.13 4.81 -1.87 -2.57 114.58 115.67 1jr8 h GLU 105 Ca -0.00 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1jr8 h GLU 105 Cb 0.76 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1jr8 h GLU 105 CO 0.03 0.58 0.33 -0.44 -0.73 0.00 0.00 179.01 178.78 1jr8 h ASP 106 N 0.40 0.36 -0.49 1.04 3.32 -1.06 -3.06 116.42 116.93 1jr8 h ASP 106 Ca 0.07 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.77 1jr8 h ASP 106 Cb 0.50 -0.08 -0.28 0.00 0.22 0.00 0.00 39.33 39.70 1jr8 h ASP 106 CO 0.03 0.23 -0.68 -1.22 -1.72 0.00 0.00 179.24 175.89 1jr8 n TYR 107 N -4.47 1.79 -1.59 4.55 4.02 -0.98 -5.06 117.16 115.42 1jr8 n TYR 107 Ca 0.07 -1.97 -0.42 0.00 -0.01 0.00 0.00 57.90 55.56 1jr8 n TYR 107 Cb 0.25 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1jr8 n TYR 107 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1jr8 n ASP 108 N -0.86 1.01 0.03 7.72 -0.08 -1.12 -4.56 116.55 118.69 1jr8 n ASP 108 Ca 0.36 1.06 0.10 0.00 -1.51 0.00 0.00 54.79 54.79 1jr8 n ASP 108 Cb 0.87 -1.31 0.43 0.00 2.34 0.00 0.00 41.12 43.45 1jr8 n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jr8 n GLY 110 N 0.50 -0.38 0.00 0.00 0.00 -1.26 -5.21 105.19 98.84 1jr8 n GLY 110 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1jr8 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32