#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jk5 n ALA 23 N 0.00 1.24 -0.25 7.33 0.00 -1.26 -4.87 120.51 122.70 2jk5 n ALA 23 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 2jk5 n ALA 23 Cb 0.00 -2.28 0.10 0.00 0.00 0.00 0.00 19.45 17.26 2jk5 n ALA 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jk5 h LEU 24 N 3.96 0.66 -0.82 0.00 5.85 -2.04 -2.32 115.31 120.60 2jk5 h LEU 24 Ca -0.45 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2jk5 h LEU 24 Cb 1.27 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2jk5 h LEU 24 CO 0.74 0.43 0.40 1.12 -0.34 0.00 0.00 178.44 180.79 2jk5 h HIS 25 N 0.79 1.17 -0.02 1.25 2.07 -1.95 0.10 115.15 118.56 2jk5 h HIS 25 Ca 0.30 -0.05 -0.18 0.00 -2.85 0.00 0.00 60.37 57.59 2jk5 h HIS 25 Cb 0.13 -0.36 -0.01 0.00 2.57 0.00 0.00 27.41 29.73 2jk5 h HIS 25 CO -0.06 0.84 -0.79 -1.49 -3.07 0.00 0.00 177.93 173.37 2jk5 h TRP 26 N 1.16 0.27 -0.09 6.12 -0.00 -1.88 -1.54 115.95 119.99 2jk5 h TRP 26 Ca 0.28 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.89 59.03 2jk5 h TRP 26 Cb 0.10 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.22 2jk5 h TRP 26 CO 0.01 0.90 0.04 0.00 -0.00 0.00 0.00 178.44 179.39 2jk5 h ARG 27 N 0.12 0.14 -0.71 0.49 3.08 -0.96 -1.78 114.38 114.77 2jk5 h ARG 27 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2jk5 h ARG 27 Cb 1.38 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 2jk5 h ARG 27 CO 0.12 0.24 0.27 0.00 -1.07 0.00 0.00 179.97 179.53 2jk5 h ALA 28 N 0.89 1.15 0.42 0.04 0.00 -0.76 0.11 119.26 121.10 2jk5 h ALA 28 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2jk5 h ALA 28 Cb 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jk5 h ALA 28 CO -0.00 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 2jk5 h ALA 29 N 1.27 -0.57 -0.46 0.00 0.00 -1.16 0.41 119.26 118.75 2jk5 h ALA 29 Ca 0.24 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2jk5 h ALA 29 Cb 0.21 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 2jk5 h ALA 29 CO -0.02 -0.82 -0.22 0.78 0.00 0.00 0.00 179.25 178.97 2jk5 h GLY 30 N -0.57 0.09 1.49 0.00 0.00 -1.18 -1.27 103.07 101.62 2jk5 h GLY 30 Ca -0.06 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2jk5 h GLY 30 CO 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 176.54 176.44 2jk5 h ALA 31 N 1.16 1.29 -0.70 3.60 0.00 -0.62 -2.15 119.26 121.83 2jk5 h ALA 31 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jk5 h ALA 31 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2jk5 h ALA 31 CO -0.54 0.49 0.34 0.00 0.00 0.00 0.00 179.25 179.54 2jk5 h ALA 32 N 1.42 0.91 -0.39 0.00 0.00 0.66 -1.81 119.26 120.05 2jk5 h ALA 32 Ca 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2jk5 h ALA 32 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jk5 h ALA 32 CO 0.01 0.47 -0.16 1.15 0.00 0.00 0.00 179.25 180.72 2jk5 h THR 33 N 0.98 1.28 -0.49 0.00 2.02 -0.66 -1.01 112.91 115.04 2jk5 h THR 33 Ca 0.24 -1.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 2jk5 h THR 33 Cb 0.12 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2jk5 h THR 33 CO -0.03 0.43 0.10 0.58 0.37 0.00 0.00 175.52 176.97 2jk5 h VAL 34 N 0.61 1.25 0.00 3.16 2.07 -1.37 -2.12 116.25 119.85 2jk5 h VAL 34 Ca 0.09 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 2jk5 h VAL 34 Cb 0.71 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2jk5 h VAL 34 CO 0.05 0.32 -0.27 -0.07 0.02 0.00 0.00 177.57 177.62 2jk5 h LEU 35 N 0.68 0.00 -0.02 2.57 3.38 -1.15 -2.16 115.31 118.62 2jk5 h LEU 35 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2jk5 h LEU 35 Cb 0.37 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2jk5 h LEU 35 CO 0.01 0.27 -0.50 0.25 0.09 0.00 0.00 178.44 178.56 2jk5 h LEU 36 N 0.00 0.47 -0.81 1.67 5.85 -1.08 -2.15 115.31 119.26 2jk5 h LEU 36 Ca -0.00 -0.74 0.10 0.00 0.84 0.00 0.00 57.88 58.07 2jk5 h LEU 36 Cb 0.74 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 2jk5 h LEU 36 CO 0.04 1.14 0.45 0.58 -0.34 0.00 0.00 178.44 180.31 2jk5 h VAL 37 N -0.17 0.89 -0.50 1.05 2.07 -1.22 0.52 116.25 118.89 2jk5 h VAL 37 Ca -0.06 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 2jk5 h VAL 37 Cb 1.21 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2jk5 h VAL 37 CO 0.10 0.14 -0.12 0.40 0.02 0.00 0.00 177.57 178.10 2jk5 h ILE 38 N 0.75 1.27 -0.51 4.57 2.04 -1.41 -2.22 117.51 122.01 2jk5 h ILE 38 Ca 0.39 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 2jk5 h ILE 38 Cb 0.38 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2jk5 h ILE 38 CO -0.26 0.44 0.23 0.58 0.00 0.00 0.00 178.15 179.14 2jk5 h VAL 39 N 0.83 1.20 -0.19 1.67 2.07 -0.91 -1.03 116.25 119.89 2jk5 h VAL 39 Ca 0.13 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2jk5 h VAL 39 Cb 0.69 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 2jk5 h VAL 39 CO 0.05 0.23 -0.09 -0.07 0.02 0.00 0.00 177.57 177.70 2jk5 h LEU 40 N 0.67 -0.32 -0.31 2.57 3.38 -0.77 0.16 115.31 120.70 2jk5 h LEU 40 Ca 0.17 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2jk5 h LEU 40 Cb 0.15 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jk5 h LEU 40 CO -0.02 -0.12 -0.04 -0.07 0.09 0.00 0.00 178.44 178.28 2jk5 h LEU 41 N -0.07 0.57 -0.67 1.67 3.38 -1.29 -0.18 115.31 118.72 2jk5 h LEU 41 Ca 0.11 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 2jk5 h LEU 41 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2jk5 h LEU 41 CO -0.24 0.77 -0.55 0.00 0.09 0.00 0.00 178.44 178.52 2jk5 h ALA 42 N 0.82 0.85 -0.50 1.53 0.00 -1.14 -2.62 119.26 118.20 2jk5 h ALA 42 Ca 0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2jk5 h ALA 42 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jk5 h ALA 42 CO 0.02 0.69 0.12 0.78 0.00 0.00 0.00 179.25 180.87 2jk5 h GLY 43 N 1.30 0.87 0.66 0.00 0.00 -0.42 0.01 103.07 105.49 2jk5 h GLY 43 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 46.83 2jk5 h GLY 43 CO 0.09 0.51 -0.00 1.76 0.00 0.00 0.00 176.54 178.89 2jk5 h SER 44 N 0.69 -0.09 -0.52 0.19 0.02 -0.95 0.79 113.55 113.68 2jk5 h SER 44 Ca 0.16 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2jk5 h SER 44 Cb 0.33 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2jk5 h SER 44 CO 0.00 -0.02 0.09 0.22 -1.14 0.00 0.00 176.83 175.98 2jk5 h TYR 45 N 0.06 0.92 0.00 3.45 3.20 -1.32 -2.84 116.97 120.45 2jk5 h TYR 45 Ca 0.10 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2jk5 h TYR 45 Cb 0.13 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2jk5 h TYR 45 CO -0.19 0.83 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.67 2jk5 h LEU 46 N 0.75 0.00 -0.26 2.82 3.38 -0.85 -2.71 115.31 118.43 2jk5 h LEU 46 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2jk5 h LEU 46 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2jk5 h LEU 46 CO 0.01 0.42 -0.19 0.00 0.09 0.00 0.00 178.44 178.77 2jk5 h ALA 47 N 1.58 0.37 -0.45 1.53 0.00 -0.72 -0.39 119.26 121.18 2jk5 h ALA 47 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jk5 h ALA 47 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2jk5 h ALA 47 CO 0.05 0.30 0.24 0.28 0.00 0.00 0.00 179.25 180.13 2jk5 h VAL 48 N 0.30 1.16 -0.33 0.00 2.07 -1.50 0.60 116.25 118.55 2jk5 h VAL 48 Ca 0.05 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2jk5 h VAL 48 Cb 0.73 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2jk5 h VAL 48 CO 0.05 0.17 0.13 0.25 0.02 0.00 0.00 177.57 178.19 2jk5 h LEU 49 N 0.58 0.15 -0.77 2.57 5.85 -1.37 -1.59 115.31 120.73 2jk5 h LEU 49 Ca 0.16 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 2jk5 h LEU 49 Cb 0.05 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2jk5 h LEU 49 CO -0.03 0.12 -0.15 0.00 -0.34 0.00 0.00 178.44 178.05 2jk5 h ALA 50 N 1.20 0.96 0.00 1.25 0.00 -0.67 -3.34 119.26 118.66 2jk5 h ALA 50 Ca 0.15 -0.34 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 2jk5 h ALA 50 Cb 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2jk5 h ALA 50 CO -0.14 0.61 -1.71 0.39 0.00 0.00 0.00 179.25 178.40 2jk5 n GLU 51 N -4.15 0.63 -2.00 0.00 -0.58 0.17 -4.74 120.64 109.98 2jk5 n GLU 51 Ca 0.01 0.30 -0.41 0.00 -0.42 0.00 0.00 57.16 56.64 2jk5 n GLU 51 Cb 0.39 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 2jk5 n GLU 51 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jk5 s ARG 52 N -2.60 4.26 0.00 3.49 0.52 -0.62 -1.93 118.95 122.07 2jk5 s ARG 52 Ca -0.05 2.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 2jk5 s ARG 52 Cb 0.08 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.46 2jk5 s ARG 52 CO 0.82 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.15 2jk5 n GLY 53 N 1.90 0.35 3.40 -3.53 0.00 -1.26 -4.99 105.19 101.05 2jk5 n GLY 53 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2jk5 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk5 s ALA 54 N -2.07 3.25 0.16 4.61 0.00 -0.81 -5.07 121.76 121.83 2jk5 s ALA 54 Ca 0.00 -1.56 -0.32 0.00 0.00 0.00 0.00 51.96 50.09 2jk5 s ALA 54 Cb 0.00 -2.45 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 2jk5 s ALA 54 CO 0.00 -1.14 1.72 -2.14 0.00 0.00 0.00 175.76 174.20 2jk5 s PRO 55 N 1.57 4.15 0.00 0.00 0.02 -1.26 -1.45 135.00 138.03 2jk5 s PRO 55 Ca 0.03 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.59 2jk5 s PRO 55 Cb -0.18 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2jk5 s PRO 55 CO 0.06 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 2jk5 n GLY 56 N 4.02 1.04 3.75 0.52 0.00 -1.26 -5.06 105.19 108.20 2jk5 n GLY 56 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2jk5 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jk5 s ALA 57 N -2.29 3.52 -0.54 4.61 0.00 -0.53 -4.92 121.76 121.62 2jk5 s ALA 57 Ca 0.00 1.17 0.17 0.00 0.00 0.00 0.00 51.96 53.30 2jk5 s ALA 57 Cb 0.00 -3.48 -0.21 0.00 0.00 0.00 0.00 23.12 19.43 2jk5 s ALA 57 CO 0.00 -0.57 0.61 1.04 0.00 0.00 0.00 175.76 176.84 2jk5 n GLN 58 N 1.92 1.11 -2.07 0.00 6.02 -1.26 -4.75 117.38 118.34 2jk5 n GLN 58 Ca 0.04 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 2jk5 n GLN 58 Cb 0.42 -1.34 -0.00 0.00 1.02 0.00 0.00 30.24 30.34 2jk5 n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2jk5 n LEU 59 N -1.64 7.69 0.00 1.08 7.94 -1.26 -4.53 117.00 126.28 2jk5 n LEU 59 Ca 0.01 -4.81 0.00 0.00 -1.11 0.00 0.00 56.01 50.10 2jk5 n LEU 59 Cb 0.33 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.88 2jk5 n LEU 59 CO 0.35 1.88 0.13 2.30 -1.11 0.00 0.00 177.39 180.93 2jk5 n ILE 60 N 2.20 0.01 -4.32 1.96 -5.35 -1.26 -3.94 119.36 108.66 2jk5 n ILE 60 Ca 0.56 -0.25 -0.24 0.00 -0.27 0.00 0.00 62.75 62.55 2jk5 n ILE 60 Cb 0.28 1.50 -0.12 0.00 -1.74 0.00 0.00 39.64 39.55 2jk5 n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2jk5 s THR 61 N -0.01 1.84 0.07 7.28 -4.23 -1.26 -4.95 115.64 114.39 2jk5 s THR 61 Ca 0.00 -1.66 -0.20 0.00 -1.18 0.00 0.00 61.69 58.65 2jk5 s THR 61 Cb 0.00 -1.70 -0.11 0.00 1.34 0.00 0.00 72.50 72.04 2jk5 s THR 61 CO 0.00 -0.08 1.49 1.88 -0.54 0.00 0.00 174.62 177.37 2jk5 h TYR 62 N 3.87 0.38 -0.52 3.99 -1.99 -1.96 -1.86 116.97 118.88 2jk5 h TYR 62 Ca -0.46 -0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.21 2jk5 h TYR 62 Cb 1.18 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.79 2jk5 h TYR 62 CO 0.63 0.55 0.34 -1.35 -0.00 0.00 0.00 178.16 178.32 2jk5 h PRO 63 N 0.09 0.66 0.00 4.88 0.11 -1.98 -1.00 132.00 134.77 2jk5 h PRO 63 Ca 0.05 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 2jk5 h PRO 63 Cb 0.40 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2jk5 h PRO 63 CO 0.01 0.44 -0.48 0.07 -0.21 0.00 0.00 178.00 177.83 2jk5 h ARG 64 N 0.68 0.00 -0.87 1.05 0.11 -1.99 -2.66 114.38 110.70 2jk5 h ARG 64 Ca 0.20 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.26 2jk5 h ARG 64 Cb -0.05 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 30.98 2jk5 h ARG 64 CO -0.05 0.48 0.47 0.00 0.10 0.00 0.00 179.97 180.97 2jk5 h ALA 65 N 1.52 1.12 -0.77 0.08 0.00 -0.70 0.30 119.26 120.80 2jk5 h ALA 65 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2jk5 h ALA 65 Cb 1.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2jk5 h ALA 65 CO 0.06 0.63 0.28 1.25 0.00 0.00 0.00 179.25 181.47 2jk5 h LEU 66 N 1.22 1.10 -0.25 0.00 5.85 -0.87 -0.25 115.31 122.11 2jk5 h LEU 66 Ca 0.31 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2jk5 h LEU 66 Cb 0.04 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2jk5 h LEU 66 CO -0.05 0.99 0.08 -0.25 -0.34 0.00 0.00 178.44 178.88 2jk5 h TRP 67 N 1.14 0.39 -0.96 1.25 2.91 -1.21 -1.63 115.95 117.85 2jk5 h TRP 67 Ca 0.25 -0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.27 2jk5 h TRP 67 Cb 0.26 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 2jk5 h TRP 67 CO 0.02 0.43 0.63 2.35 -1.03 0.00 0.00 178.44 180.85 2jk5 h TRP 68 N 0.24 1.18 -0.13 2.65 7.01 -0.05 -1.56 115.95 125.28 2jk5 h TRP 68 Ca 0.08 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.95 2jk5 h TRP 68 Cb 0.22 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 2jk5 h TRP 68 CO 0.00 0.69 -0.60 0.66 -2.79 0.00 0.00 178.44 176.39 2jk5 h SER 69 N 1.22 0.51 -0.01 2.65 4.64 -0.76 -1.68 113.55 120.13 2jk5 h SER 69 Ca 0.38 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2jk5 h SER 69 Cb -0.01 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 2jk5 h SER 69 CO -0.12 1.00 -0.04 0.58 -0.87 0.00 0.00 176.83 177.37 2jk5 h VAL 70 N 0.34 0.88 0.00 0.95 2.07 -0.92 0.13 116.25 119.70 2jk5 h VAL 70 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2jk5 h VAL 70 Cb 1.15 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jk5 h VAL 70 CO 0.11 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.75 2jk5 h GLU 71 N -0.07 0.00 0.11 1.57 4.11 -1.16 -1.90 114.58 117.25 2jk5 h GLU 71 Ca 0.02 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.20 2jk5 h GLU 71 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2jk5 h GLU 71 CO -0.06 0.00 -1.29 1.15 0.07 0.00 0.00 179.01 178.89 2jk5 h THR 72 N 0.00 1.12 -0.94 -1.06 2.02 -0.90 0.59 112.91 113.74 2jk5 h THR 72 Ca 0.00 -2.41 -0.00 0.00 0.77 0.00 0.00 66.41 64.77 2jk5 h THR 72 Cb 0.42 2.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.57 2jk5 h THR 72 CO 0.00 0.69 0.58 0.00 0.37 0.00 0.00 175.52 177.16 2jk5 h ALA 73 N -0.04 1.26 -0.00 6.16 0.00 -0.35 0.21 119.26 126.50 2jk5 h ALA 73 Ca -0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2jk5 h ALA 73 Cb 1.71 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jk5 h ALA 73 CO 0.06 0.65 -0.00 0.25 0.00 0.00 0.00 179.25 180.21 2jk5 n THR 74 N -4.37 0.00 -2.00 0.00 -2.24 -0.75 -3.70 114.28 101.23 2jk5 n THR 74 Ca 0.11 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.69 2jk5 n THR 74 Cb 0.05 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.76 2jk5 n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jk5 n THR 75 N -1.06 -0.48 -0.03 4.28 -2.24 0.06 -4.91 114.28 109.91 2jk5 n THR 75 Ca 0.21 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.82 2jk5 n THR 75 Cb 0.16 -2.29 -0.07 0.00 -2.10 0.00 0.00 70.33 66.03 2jk5 n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2jk5 h VAL 76 N 0.00 1.28 -6.57 2.28 2.07 -0.23 -3.48 116.25 111.59 2jk5 h VAL 76 Ca -0.42 -1.96 -0.52 0.00 0.82 0.00 0.00 66.70 64.62 2jk5 h VAL 76 Cb 1.29 1.95 -0.08 0.00 -1.52 0.00 0.00 31.29 32.94 2jk5 h VAL 76 CO 0.55 0.62 -0.90 0.61 0.02 0.00 0.00 177.57 178.48 2jk5 n GLY 77 N 0.68 -0.21 0.54 2.17 0.00 0.85 -4.88 105.19 104.34 2jk5 n GLY 77 Ca -0.07 0.15 0.39 0.00 0.00 0.00 0.00 46.02 46.49 2jk5 n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jk5 h TYR 78 N -1.82 0.28 0.00 1.61 0.05 -1.92 -3.45 116.97 111.72 2jk5 h TYR 78 Ca -0.63 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.16 2jk5 h TYR 78 Cb 1.38 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.05 2jk5 h TYR 78 CO 0.49 -0.07 0.00 0.41 -1.05 0.00 0.00 178.16 177.94 2jk5 n GLY 79 N -1.68 0.72 0.17 3.88 0.00 -1.26 -4.93 105.19 102.09 2jk5 n GLY 79 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.39 2jk5 n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jk5 h ASP 80 N 0.00 0.00 -4.47 1.61 2.03 -2.02 -3.45 116.42 110.12 2jk5 h ASP 80 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 2jk5 h ASP 80 Cb 0.00 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 38.27 2jk5 h ASP 80 CO 0.00 0.47 -0.50 -0.76 -1.03 0.00 0.00 179.24 177.43 2jk5 s LEU 81 N -7.51 1.45 -0.14 0.15 1.43 -1.26 -5.06 118.68 107.73 2jk5 s LEU 81 Ca -0.01 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2jk5 s LEU 81 Cb 0.12 0.65 0.12 0.00 0.03 0.00 0.00 46.19 47.12 2jk5 s LEU 81 CO 0.72 -0.24 0.98 -0.72 0.23 0.00 0.00 176.35 177.33 2jk5 s TYR 82 N -0.75 -0.37 0.54 0.29 -0.85 -1.26 -4.93 117.35 110.02 2jk5 s TYR 82 Ca -0.08 0.60 -0.19 0.00 -0.52 0.00 0.00 57.07 56.88 2jk5 s TYR 82 Cb -0.05 0.46 -0.06 0.00 0.38 0.00 0.00 41.96 42.69 2jk5 s TYR 82 CO 0.01 -0.37 1.08 -1.25 -1.52 0.00 0.00 175.55 173.51 2jk5 s PRO 83 N -1.33 3.45 0.00 -3.49 0.04 -1.26 -4.61 135.00 127.80 2jk5 s PRO 83 Ca -0.01 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2jk5 s PRO 83 Cb -0.00 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2jk5 s PRO 83 CO 0.01 -0.73 0.35 1.33 0.04 0.00 0.00 177.00 178.00 2jk5 n VAL 84 N -1.43 0.00 -3.21 -0.36 0.24 -1.26 -4.86 118.33 107.45 2jk5 n VAL 84 Ca 0.10 -0.45 -0.21 0.00 -2.04 0.00 0.00 64.34 61.74 2jk5 n VAL 84 Cb 0.52 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2jk5 n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2jk5 s THR 85 N -0.94 3.95 0.14 3.34 -4.23 -1.26 -4.98 115.64 111.66 2jk5 s THR 85 Ca 0.03 -0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 59.54 2jk5 s THR 85 Cb 0.03 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.45 2jk5 s THR 85 CO 0.11 -0.22 1.64 0.25 -0.54 0.00 0.00 174.62 175.86 2jk5 h LEU 86 N 0.63 -0.68 -0.42 4.79 5.85 -1.98 -1.30 115.31 122.21 2jk5 h LEU 86 Ca -0.46 0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.20 2jk5 h LEU 86 Cb 1.26 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2jk5 h LEU 86 CO 0.55 -0.27 -0.70 -0.50 -0.34 0.00 0.00 178.44 177.18 2jk5 h TRP 87 N -0.27 0.59 -0.98 1.25 -0.00 -1.96 -0.07 115.95 114.52 2jk5 h TRP 87 Ca 0.11 -0.25 0.03 0.00 -0.00 0.00 0.00 58.89 58.78 2jk5 h TRP 87 Cb 0.43 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 29.43 2jk5 h TRP 87 CO -0.33 1.00 0.64 0.78 -0.00 0.00 0.00 178.44 180.54 2jk5 h GLY 88 N 1.21 1.42 1.23 1.49 0.00 -1.82 0.20 103.07 106.79 2jk5 h GLY 88 Ca -0.02 -0.49 -0.26 0.00 0.00 0.00 0.00 47.33 46.55 2jk5 h GLY 88 CO 0.12 0.43 -1.00 3.21 0.00 0.00 0.00 176.54 179.30 2jk5 h ARG 89 N 1.25 0.70 -0.47 4.80 3.08 -0.85 -0.37 114.38 122.52 2jk5 h ARG 89 Ca 0.38 -0.72 0.04 0.00 0.07 0.00 0.00 59.98 59.75 2jk5 h ARG 89 Cb -0.02 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 2jk5 h ARG 89 CO -0.11 1.30 0.22 0.00 -1.07 0.00 0.00 179.97 180.32 2jk5 h VAL 91 N 0.45 0.62 -0.89 0.00 2.07 -0.38 -2.15 116.25 115.97 2jk5 h VAL 91 Ca 0.21 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 2jk5 h VAL 91 Cb 0.13 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.42 2jk5 h VAL 91 CO -0.16 0.00 0.46 0.00 0.02 0.00 0.00 177.57 177.89 2jk5 h ALA 92 N 1.13 1.38 -0.47 1.67 0.00 -0.59 -2.16 119.26 120.23 2jk5 h ALA 92 Ca 0.13 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2jk5 h ALA 92 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jk5 h ALA 92 CO -0.31 -0.14 0.07 0.28 0.00 0.00 0.00 179.25 179.15 2jk5 h VAL 93 N 0.60 1.25 -0.90 0.00 2.07 -0.57 -1.41 116.25 117.29 2jk5 h VAL 93 Ca 0.51 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2jk5 h VAL 93 Cb 0.79 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2jk5 h VAL 93 CO -0.40 0.32 0.59 0.58 0.02 0.00 0.00 177.57 178.68 2jk5 h VAL 94 N 0.64 1.20 -0.22 2.57 2.07 -0.98 -0.58 116.25 120.95 2jk5 h VAL 94 Ca 0.14 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2jk5 h VAL 94 Cb 0.40 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2jk5 h VAL 94 CO 0.01 0.22 -0.01 0.58 0.02 0.00 0.00 177.57 178.39 2jk5 h VAL 95 N 1.18 1.26 0.07 2.57 2.07 -1.09 -1.43 116.25 120.88 2jk5 h VAL 95 Ca 0.34 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2jk5 h VAL 95 Cb -0.08 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2jk5 h VAL 95 CO -0.09 0.28 -0.22 0.24 0.02 0.00 0.00 177.57 177.80 2jk5 h MET 96 N 0.16 -0.37 -0.98 1.57 2.86 -1.06 -0.43 114.93 116.67 2jk5 h MET 96 Ca 0.06 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2jk5 h MET 96 Cb 0.42 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 2jk5 h MET 96 CO 0.01 -0.25 0.63 0.28 1.06 0.00 0.00 176.91 178.64 2jk5 h VAL 97 N -0.39 1.26 -0.25 -2.22 2.07 -0.99 -0.45 116.25 115.28 2jk5 h VAL 97 Ca 0.04 -0.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.87 2jk5 h VAL 97 Cb 0.43 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2jk5 h VAL 97 CO -0.15 0.26 -0.57 0.00 0.02 0.00 0.00 177.57 177.13 2jk5 h ALA 98 N 1.35 0.51 -0.40 1.67 0.00 -1.13 -1.10 119.26 120.17 2jk5 h ALA 98 Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2jk5 h ALA 98 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2jk5 h ALA 98 CO -0.07 0.69 -0.13 0.78 0.00 0.00 0.00 179.25 180.51 2jk5 h GLY 99 N 0.78 0.86 0.62 0.00 0.00 -0.65 -2.09 103.07 102.60 2jk5 h GLY 99 Ca 0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 2jk5 h GLY 99 CO 0.12 0.67 -0.01 -2.22 0.00 0.00 0.00 176.54 175.10 2jk5 h ILE 100 N 0.60 1.32 -0.21 2.60 2.04 -1.06 -2.06 117.51 120.74 2jk5 h ILE 100 Ca 0.10 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.06 2jk5 h ILE 100 Cb 0.67 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 2jk5 h ILE 100 CO 0.05 0.25 -0.17 0.74 0.00 0.00 0.00 178.15 179.02 2jk5 h THR 101 N -0.35 0.54 -0.28 -0.27 2.02 -1.30 0.99 112.91 114.26 2jk5 h THR 101 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2jk5 h THR 101 Cb 0.41 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2jk5 h THR 101 CO 0.00 0.00 0.09 0.28 0.37 0.00 0.00 175.52 176.26 2jk5 h SER 102 N -0.17 0.40 -0.08 4.18 0.02 -1.41 0.75 113.55 117.23 2jk5 h SER 102 Ca 0.12 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 2jk5 h SER 102 Cb 0.36 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2jk5 h SER 102 CO -0.31 0.49 -0.20 -0.26 -1.14 0.00 0.00 176.83 175.41 2jk5 h PHE 103 N 0.29 0.53 -0.79 3.45 -1.00 -1.28 -2.01 116.94 116.12 2jk5 h PHE 103 Ca 0.09 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2jk5 h PHE 103 Cb 0.23 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 2jk5 h PHE 103 CO 0.00 0.66 0.45 0.78 -1.61 0.00 0.00 178.31 178.59 2jk5 h GLY 104 N 0.98 1.17 1.53 -1.45 0.00 -0.51 -2.47 103.07 102.32 2jk5 h GLY 104 Ca 0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 2jk5 h GLY 104 CO 0.04 0.49 -0.25 -2.00 0.00 0.00 0.00 176.54 174.82 2jk5 h LEU 105 N 1.10 0.55 -0.40 3.11 6.46 -0.22 -1.18 115.31 124.74 2jk5 h LEU 105 Ca 0.28 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2jk5 h LEU 105 Cb 0.00 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 2jk5 h LEU 105 CO -0.05 0.79 0.22 0.58 -0.62 0.00 0.00 178.44 179.37 2jk5 h VAL 106 N 0.48 1.15 -0.75 1.05 2.07 -1.02 -1.10 116.25 118.14 2jk5 h VAL 106 Ca 0.07 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2jk5 h VAL 106 Cb 0.69 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2jk5 h VAL 106 CO 0.05 0.15 0.47 0.74 0.02 0.00 0.00 177.57 179.01 2jk5 h THR 107 N 0.51 1.11 -0.25 2.57 2.02 -1.05 -0.87 112.91 116.95 2jk5 h THR 107 Ca 0.14 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.02 2jk5 h THR 107 Cb 0.05 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 2jk5 h THR 107 CO -0.02 0.17 0.13 0.00 0.37 0.00 0.00 175.52 176.16 2jk5 h ALA 108 N 1.32 0.30 -0.13 6.16 0.00 -0.96 -1.43 119.26 124.51 2jk5 h ALA 108 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2jk5 h ALA 108 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jk5 h ALA 108 CO -0.11 -0.27 -0.14 0.00 0.00 0.00 0.00 179.25 178.73 2jk5 h ALA 109 N 1.12 1.52 -0.07 0.00 0.00 -0.83 -1.06 119.26 119.95 2jk5 h ALA 109 Ca 0.10 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2jk5 h ALA 109 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jk5 h ALA 109 CO -0.06 0.34 -0.75 -0.07 0.00 0.00 0.00 179.25 178.71 2jk5 h LEU 110 N 0.20 0.47 -0.40 0.00 3.38 -0.84 -2.14 115.31 115.97 2jk5 h LEU 110 Ca 0.04 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 2jk5 h LEU 110 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jk5 h LEU 110 CO 0.02 1.06 -0.43 0.00 0.09 0.00 0.00 178.44 179.19 2jk5 h ALA 111 N 0.93 0.58 -0.14 1.53 0.00 -0.51 -0.55 119.26 121.09 2jk5 h ALA 111 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2jk5 h ALA 111 Cb 1.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jk5 h ALA 111 CO 0.13 0.68 0.07 1.15 0.00 0.00 0.00 179.25 181.27 2jk5 h THR 112 N 0.71 1.00 -0.27 0.00 2.02 -1.19 -0.04 112.91 115.14 2jk5 h THR 112 Ca 0.05 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2jk5 h THR 112 Cb 1.01 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 2jk5 h THR 112 CO 0.10 0.03 -0.12 -0.25 0.37 0.00 0.00 175.52 175.65 2jk5 h TRP 113 N 0.15 -0.28 -0.57 3.16 7.01 -1.25 -1.65 115.95 122.52 2jk5 h TRP 113 Ca 0.06 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.99 2jk5 h TRP 113 Cb 0.01 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 2jk5 h TRP 113 CO -0.09 -0.18 -0.03 0.74 -2.79 0.00 0.00 178.44 176.09 2jk5 h PHE 114 N -0.08 1.10 -0.57 2.65 0.04 -0.80 -2.06 116.94 117.22 2jk5 h PHE 114 Ca 0.14 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 2jk5 h PHE 114 Cb 0.29 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2jk5 h PHE 114 CO -0.31 0.99 0.15 0.28 -0.60 0.00 0.00 178.31 178.82 2jk5 h VAL 115 N 0.92 1.25 -0.48 -0.55 2.07 -0.81 -0.75 116.25 117.90 2jk5 h VAL 115 Ca 0.16 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 2jk5 h VAL 115 Cb 0.57 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2jk5 h VAL 115 CO 0.03 0.32 -0.03 1.23 0.02 0.00 0.00 177.57 179.14 2jk5 h GLY 116 N 0.82 0.94 1.66 2.17 0.00 -1.20 -0.94 103.07 106.52 2jk5 h GLY 116 Ca 0.18 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2jk5 h GLY 116 CO -0.00 0.66 -0.34 0.07 0.00 0.00 0.00 176.54 176.93 2jk5 h ARG 117 N 0.72 0.39 -0.10 4.80 0.11 -1.27 -2.65 114.38 116.38 2jk5 h ARG 117 Ca 0.13 -0.17 -0.16 0.00 0.10 0.00 0.00 59.98 59.88 2jk5 h ARG 117 Cb 0.56 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2jk5 h ARG 117 CO 0.03 0.68 -0.63 1.49 0.10 0.00 0.00 179.97 181.65 2jk5 h GLU 118 N 0.33 0.36 -0.72 0.08 4.57 -0.88 -1.69 114.58 116.63 2jk5 h GLU 118 Ca 0.04 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2jk5 h GLU 118 Cb 0.76 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 2jk5 h GLU 118 CO 0.06 0.87 0.44 1.96 -1.18 0.00 0.00 179.01 181.16 2jk5 h GLN 119 N 0.27 0.80 0.68 1.92 4.20 -1.03 -2.40 115.11 119.55 2jk5 h GLN 119 Ca -0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2jk5 h GLN 119 Cb 1.16 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.76 2jk5 h GLN 119 CO 0.10 0.53 -0.33 0.93 -0.67 0.00 0.00 178.83 179.40 2jk5 h GLU 120 N 0.83 -0.88 -0.26 1.46 5.08 -1.28 -0.49 114.58 119.04 2jk5 h GLU 120 Ca 0.30 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.80 2jk5 h GLU 120 Cb 0.10 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jk5 h GLU 120 CO -0.14 -0.59 0.75 -0.09 -1.00 0.00 0.00 179.01 177.93 2jk5 h ARG 121 N -0.98 0.00 0.00 2.33 2.43 -1.31 1.02 114.38 117.87 2jk5 h ARG 121 Ca -0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2jk5 h ARG 121 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2jk5 h ARG 121 CO 0.15 0.00 -1.18 0.54 -1.51 0.00 0.00 179.97 177.98 2jk5 n ARG 122 N -2.95 0.61 -1.87 0.20 1.74 -0.91 -4.99 116.66 108.50 2jk5 n ARG 122 Ca 0.05 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2jk5 n ARG 122 Cb 0.85 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 2jk5 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jk5 n GLY 123 N 1.23 0.50 0.00 -0.13 0.00 0.35 -5.10 105.19 102.03 2jk5 n GLY 123 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2jk5 n GLY 123 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89