#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bbx n LYS 2 N 0.00 2.39 -3.36 0.00 5.02 -1.26 -4.58 118.16 116.37 3bbx n LYS 2 Ca 0.00 -1.29 -0.38 0.00 -2.02 0.00 0.00 58.31 54.62 3bbx n LYS 2 Cb 0.00 -2.20 -0.06 0.00 -0.02 0.00 0.00 35.03 32.75 3bbx n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bbx s GLY 3 N 2.08 2.48 -1.18 0.72 0.00 -1.26 -4.96 107.32 105.20 3bbx s GLY 3 Ca 0.66 -0.15 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 3bbx s GLY 3 CO -0.02 0.53 1.56 -0.42 0.00 0.00 0.00 173.10 174.76 3bbx s ILE 4 N -0.22 4.25 0.00 0.90 1.01 -1.26 -2.85 121.20 123.02 3bbx s ILE 4 Ca 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.24 3bbx s ILE 4 Cb -0.16 -5.08 0.00 0.00 0.01 0.00 0.00 42.46 37.22 3bbx s ILE 4 CO 0.13 -1.90 0.00 -1.14 0.00 0.00 0.00 174.94 172.03 3bbx n ARG 5 N 7.99 0.00 0.00 2.79 0.00 -1.26 -5.13 116.66 121.05 3bbx n ARG 5 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 3bbx n ARG 5 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 3bbx n ARG 5 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3bbx n GLU 6 N 0.00 3.00 -1.46 -0.14 0.28 -1.13 -3.84 120.64 117.36 3bbx n GLU 6 Ca 0.00 0.00 -0.54 0.00 -0.16 0.00 0.00 57.16 56.46 3bbx n GLU 6 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 3bbx n GLU 6 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3bbx n LYS 7 N 0.00 0.01 -0.26 3.44 -0.00 -1.26 -4.34 118.16 115.76 3bbx n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3bbx n LYS 7 Cb 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.75 3bbx n LYS 7 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 3bbx n ILE 8 N 0.83 0.00 -4.72 0.58 -6.64 -1.18 -4.67 119.36 103.56 3bbx n ILE 8 Ca 0.19 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.86 3bbx n ILE 8 Cb 0.16 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.23 3bbx n ILE 8 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 3bbx s LYS 9 N 0.61 2.23 -0.35 6.28 3.01 -1.26 -3.15 119.74 127.10 3bbx s LYS 9 Ca 0.00 -0.88 -0.04 0.00 -1.01 0.00 0.00 55.97 54.03 3bbx s LYS 9 Cb 0.00 -2.26 0.07 0.00 -1.01 0.00 0.00 37.83 34.62 3bbx s LYS 9 CO 0.00 0.57 0.11 -1.17 0.51 0.00 0.00 175.35 175.37 3bbx s LEU 10 N -1.23 4.52 0.23 3.17 2.96 0.24 -4.85 118.68 123.72 3bbx s LEU 10 Ca 0.14 -1.46 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 3bbx s LEU 10 Cb -0.11 -1.82 0.27 0.00 0.50 0.00 0.00 46.19 45.03 3bbx s LEU 10 CO 0.04 -0.39 1.84 1.62 -1.32 0.00 0.00 176.35 178.15 3bbx h VAL 11 N 6.31 1.05 -3.10 1.68 3.04 -1.86 -2.48 116.25 120.89 3bbx h VAL 11 Ca -0.20 -0.31 0.32 0.00 -1.01 0.00 0.00 66.70 65.51 3bbx h VAL 11 Cb 1.07 0.08 -0.15 0.00 -2.01 0.00 0.00 31.29 30.27 3bbx h VAL 11 CO 0.62 0.16 -1.00 -1.20 -1.01 0.00 0.00 177.57 175.15 3bbx n SER 12 N -4.66 -7.41 -3.66 3.17 7.64 -1.26 -4.17 113.62 103.28 3bbx n SER 12 Ca 0.10 1.14 -0.00 0.00 1.01 0.00 0.00 58.87 61.12 3bbx n SER 12 Cb 0.14 -4.35 -0.01 0.00 -1.01 0.00 0.00 64.21 58.98 3bbx n SER 12 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3bbx s SER 13 N -6.98 -0.10 0.45 6.43 0.15 -1.22 -4.69 113.70 107.74 3bbx s SER 13 Ca 0.00 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3bbx s SER 13 Cb 0.00 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 3bbx s SER 13 CO 0.00 -0.47 0.12 0.00 1.20 0.00 0.00 173.24 174.08 3bbx s ALA 14 N -2.68 3.71 -0.56 5.45 0.00 -1.26 -1.06 121.76 125.35 3bbx s ALA 14 Ca 0.13 -1.62 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 3bbx s ALA 14 Cb 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.06 3bbx s ALA 14 CO -0.02 -0.15 0.70 0.20 0.00 0.00 0.00 175.76 176.49 3bbx s GLY 15 N -3.89 1.73 -0.01 0.00 0.00 -1.26 -4.75 107.32 99.14 3bbx s GLY 15 Ca 0.30 -1.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 3bbx s GLY 15 CO 0.16 1.59 0.03 2.41 0.00 0.00 0.00 173.10 177.30 3bbx n THR 16 N 5.63-12.24 0.00 0.90 -1.04 -1.26 -4.93 114.28 101.34 3bbx n THR 16 Ca -0.08 2.80 0.00 0.00 -2.04 0.00 0.00 64.05 64.74 3bbx n THR 16 Cb 0.44 -5.85 0.00 0.00 -1.82 0.00 0.00 70.33 63.10 3bbx n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bbx n GLY 17 N 1.62 0.69 2.82 3.41 0.00 -1.26 -4.96 105.19 107.51 3bbx n GLY 17 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3bbx n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bbx n HIS 18 N 0.00 -1.64 -2.18 1.61 -0.00 -1.26 -4.95 115.22 106.79 3bbx n HIS 18 Ca 0.00 0.70 0.00 0.00 -0.00 0.00 0.00 57.72 58.42 3bbx n HIS 18 Cb 0.00 -4.31 0.00 0.00 -0.00 0.00 0.00 29.99 25.68 3bbx n HIS 18 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3bbx n PHE 19 N -3.34 -2.32 0.00 4.41 7.35 -1.26 -5.06 117.46 117.25 3bbx n PHE 19 Ca -0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 3bbx n PHE 19 Cb 0.63 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.46 3bbx n PHE 19 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3bbx n TYR 20 N -0.90 0.00 -1.38 -5.13 4.02 -1.26 -4.58 117.16 107.93 3bbx n TYR 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3bbx n TYR 20 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3bbx n TYR 20 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3bbx n THR 21 N 0.00 -7.56 -4.36 -0.72 -1.04 -1.26 -3.43 114.28 95.92 3bbx n THR 21 Ca 0.00 2.01 -0.19 0.00 -2.04 0.00 0.00 64.05 63.83 3bbx n THR 21 Cb 0.00 -3.68 -0.10 0.00 -1.82 0.00 0.00 70.33 64.73 3bbx n THR 21 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3bbx s THR 22 N -0.77 1.63 0.12 12.58 -4.23 -1.26 -4.01 115.64 119.70 3bbx s THR 22 Ca 0.00 -2.17 -0.11 0.00 -1.18 0.00 0.00 61.69 58.23 3bbx s THR 22 Cb 0.00 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.73 3bbx s THR 22 CO 0.00 -0.51 0.56 0.35 -0.54 0.00 0.00 174.62 174.47 3bbx n THR 23 N -0.42 0.00 -4.13 3.99 -2.24 -0.93 -5.00 114.28 105.54 3bbx n THR 23 Ca -0.07 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 3bbx n THR 23 Cb 0.61 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 3bbx n THR 23 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3bbx s LYS 24 N -2.03 2.39 0.00 -0.78 0.00 -1.26 0.83 119.74 118.89 3bbx s LYS 24 Ca 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 55.97 54.59 3bbx s LYS 24 Cb -0.02 -2.19 0.00 0.00 0.00 0.00 0.00 37.83 35.62 3bbx s LYS 24 CO 0.03 0.17 0.00 0.09 0.00 0.00 0.00 175.35 175.65 3bbx n ASN 25 N -1.11 0.28 0.00 0.03 4.13 -1.19 -4.78 115.26 112.64 3bbx n ASN 25 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 3bbx n ASN 25 Cb 0.61 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.85 3bbx n ASN 25 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3bbx n LYS 26 N 0.00 0.08 0.14 3.52 4.81 -1.26 -3.10 118.16 122.35 3bbx n LYS 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3bbx n LYS 26 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3bbx n LYS 26 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3bbx n ARG 27 N 0.00 0.00 -0.27 1.64 1.74 -1.26 -4.51 116.66 114.00 3bbx n ARG 27 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3bbx n ARG 27 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.49 3bbx n ARG 27 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3bbx h THR 28 N 0.00 1.25 -3.82 0.55 2.02 -1.93 -3.41 112.91 107.57 3bbx h THR 28 Ca 0.00 -0.79 -0.53 0.00 0.77 0.00 0.00 66.41 65.86 3bbx h THR 28 Cb 0.00 0.39 0.09 0.00 -1.74 0.00 0.00 68.15 66.88 3bbx h THR 28 CO 0.00 0.32 0.74 -0.54 0.37 0.00 0.00 175.52 176.41 3bbx s LYS 29 N -5.56 4.20 -0.19 6.66 1.02 -1.26 -4.75 119.74 119.87 3bbx s LYS 29 Ca -0.12 2.44 -0.23 0.00 0.02 0.00 0.00 55.97 58.07 3bbx s LYS 29 Cb 0.15 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 34.34 3bbx s LYS 29 CO 0.83 -0.42 0.74 -2.30 -0.92 0.00 0.00 175.35 173.28 3bbx n PRO 30 N 0.87 0.00 0.00 -1.68 -0.02 -1.26 -4.88 135.00 128.03 3bbx n PRO 30 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3bbx n PRO 30 Cb 0.40 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3bbx n PRO 30 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3bbx n GLU 31 N 1.69 0.00 -3.21 -0.52 4.07 -1.26 -4.91 120.64 116.50 3bbx n GLU 31 Ca 0.14 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 57.01 3bbx n GLU 31 Cb -0.01 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.40 3bbx n GLU 31 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3bbx n LYS 32 N 0.00 -5.15 -3.64 5.31 4.01 -1.26 -4.94 118.16 112.48 3bbx n LYS 32 Ca 0.00 0.81 -0.07 0.00 -0.51 0.00 0.00 58.31 58.55 3bbx n LYS 32 Cb 0.00 -5.69 -0.07 0.00 -0.51 0.00 0.00 35.03 28.77 3bbx n LYS 32 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 3bbx s LEU 33 N -6.79 -0.42 -0.29 -0.35 0.05 -1.16 -4.34 118.68 105.39 3bbx s LEU 33 Ca 0.38 0.77 -0.30 0.00 0.05 0.00 0.00 54.13 55.03 3bbx s LEU 33 Cb -0.18 1.76 0.19 0.00 -2.05 0.00 0.00 46.19 45.92 3bbx s LEU 33 CO 0.47 -0.13 1.36 -1.61 -0.55 0.00 0.00 176.35 175.90 3bbx s GLU 34 N 0.48 0.05 0.00 1.48 0.41 0.63 -4.84 118.70 116.91 3bbx s GLU 34 Ca 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 3bbx s GLU 34 Cb -0.05 0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.33 3bbx s GLU 34 CO -0.09 -0.02 0.00 1.47 -0.49 0.00 0.00 175.26 176.13 3bbx n LEU 35 N 0.48 0.00 0.00 1.80 -0.00 -1.24 -4.44 117.00 113.60 3bbx n LEU 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3bbx n LEU 35 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 3bbx n LEU 35 CO 0.07 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.75 3bbx n LYS 36 N 0.00 1.70 0.00 1.47 4.01 -1.10 -4.98 118.16 119.26 3bbx n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3bbx n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3bbx n LYS 36 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3bbx n LYS 37 N 0.00 0.00 -1.24 1.97 4.76 -1.26 -4.33 118.16 118.05 3bbx n LYS 37 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 3bbx n LYS 37 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 3bbx n LYS 37 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3bbx n PHE 38 N -1.02 -3.38 -3.59 2.13 7.35 -1.26 -4.44 117.46 113.25 3bbx n PHE 38 Ca 0.00 1.84 -0.37 0.00 -0.76 0.00 0.00 57.45 58.16 3bbx n PHE 38 Cb 0.00 -2.97 -0.09 0.00 0.35 0.00 0.00 39.48 36.77 3bbx n PHE 38 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3bbx s ASP 39 N -5.33 6.22 0.27 -2.13 2.15 -1.26 -4.40 116.67 112.17 3bbx s ASP 39 Ca 0.00 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.22 3bbx s ASP 39 Cb 0.00 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 3bbx s ASP 39 CO 0.00 0.03 0.00 -0.81 -0.17 0.00 0.00 175.17 174.22 3bbx n PRO 40 N 4.28 0.63 -0.32 4.34 -0.04 -1.26 -4.88 135.00 137.75 3bbx n PRO 40 Ca -0.13 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.57 3bbx n PRO 40 Cb 0.52 0.00 0.46 0.00 -0.04 0.00 0.00 33.50 34.44 3bbx n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bbx h VAL 41 N -0.46 0.14 -1.89 0.52 2.07 -1.93 -3.44 116.25 111.25 3bbx h VAL 41 Ca 0.00 -0.04 0.28 0.00 0.82 0.00 0.00 66.70 67.75 3bbx h VAL 41 Cb 0.00 -0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 3bbx h VAL 41 CO 0.00 0.02 0.74 -0.69 0.02 0.00 0.00 177.57 177.66 3bbx s VAL 42 N -5.71 0.00 0.00 2.57 1.01 -1.26 -5.15 120.40 111.86 3bbx s VAL 42 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3bbx s VAL 42 Cb 0.31 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.40 3bbx s VAL 42 CO 0.78 0.00 0.00 0.54 0.00 0.00 0.00 175.10 176.42 3bbx n ARG 43 N -0.59 0.00 -2.08 2.72 1.74 -1.26 -4.90 116.66 112.29 3bbx n ARG 43 Ca -0.05 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.75 3bbx n ARG 43 Cb 0.61 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 32.21 3bbx n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3bbx s GLN 44 N 0.00 1.07 0.00 5.56 0.74 -1.26 -4.92 119.66 120.85 3bbx s GLN 44 Ca 0.00 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.92 3bbx s GLN 44 Cb 0.00 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.14 3bbx s GLN 44 CO 0.00 -2.07 0.00 0.72 -0.55 0.00 0.00 175.29 173.39 3bbx n HIS 45 N -3.48 0.00 -1.02 1.67 8.25 -1.26 -4.17 115.22 115.21 3bbx n HIS 45 Ca 0.14 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.70 3bbx n HIS 45 Cb 0.60 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.67 3bbx n HIS 45 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3bbx n VAL 46 N 0.00 0.00 0.00 1.59 3.14 -1.26 -4.75 118.33 117.04 3bbx n VAL 46 Ca 0.00 0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 3bbx n VAL 46 Cb 0.00 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 3bbx n VAL 46 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 3bbx n ILE 47 N -3.25 0.00 -3.82 1.55 -5.35 -1.26 -4.78 119.36 102.45 3bbx n ILE 47 Ca -0.02 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.16 3bbx n ILE 47 Cb 0.60 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.52 3bbx n ILE 47 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3bbx n TYR 48 N 0.00 -1.76 0.31 4.28 4.02 -1.26 -4.02 117.16 118.73 3bbx n TYR 48 Ca 0.00 0.56 0.16 0.00 -0.01 0.00 0.00 57.90 58.61 3bbx n TYR 48 Cb 0.00 -3.56 0.70 0.00 -0.02 0.00 0.00 39.34 36.46 3bbx n TYR 48 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3bbx h LYS 49 N -1.92 0.00 0.00 -0.72 -0.00 -1.79 -2.91 116.57 109.23 3bbx h LYS 49 Ca -0.65 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.00 3bbx h LYS 49 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.60 3bbx h LYS 49 CO 0.55 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.39 3bbx n GLU 50 N -2.70 0.00 -2.38 0.07 1.02 -0.23 -3.62 120.64 112.80 3bbx n GLU 50 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3bbx n GLU 50 Cb 0.21 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.62 3bbx n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bbx s ALA 51 N -1.81 3.28 -0.26 0.62 0.00 -1.26 -4.57 121.76 117.76 3bbx s ALA 51 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 3bbx s ALA 51 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.34 3bbx s ALA 51 CO 0.00 -0.43 0.21 1.63 0.00 0.00 0.00 175.76 177.17 3bbx n LYS 52 N -2.31 -2.13 -3.53 0.00 4.01 -1.26 -4.33 118.16 108.61 3bbx n LYS 52 Ca 0.03 1.92 -0.26 0.00 -0.51 0.00 0.00 58.31 59.48 3bbx n LYS 52 Cb 0.55 -4.32 -0.03 0.00 -0.51 0.00 0.00 35.03 30.72 3bbx n LYS 52 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 3bbx s ILE 53 N -1.65 5.13 -2.00 -0.18 -1.16 -1.26 0.23 121.20 120.32 3bbx s ILE 53 Ca 0.09 -0.32 0.15 0.00 -0.51 0.00 0.00 60.65 60.05 3bbx s ILE 53 Cb -0.02 -3.78 0.41 0.00 0.61 0.00 0.00 42.46 39.68 3bbx s ILE 53 CO 0.56 -0.33 1.29 1.17 -2.81 0.00 0.00 174.94 174.81