#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3c s ASP 2 N 0.00 5.04 0.23 3.14 1.01 -1.26 0.25 116.67 125.09 2b3c s ASP 2 Ca 0.00 -0.31 -0.21 0.00 0.71 0.00 0.00 52.55 52.74 2b3c s ASP 2 Cb 0.00 -1.17 0.07 0.00 1.01 0.00 0.00 42.92 42.83 2b3c s ASP 2 CO 0.00 0.07 0.96 -0.83 0.21 0.00 0.00 175.17 175.58 2b3c s GLY 3 N -3.06 0.12 0.04 0.21 0.00 -0.63 -4.95 107.32 99.06 2b3c s GLY 3 Ca 0.29 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.67 2b3c s GLY 3 CO 0.20 1.32 -0.04 -0.19 0.00 0.00 0.00 173.10 174.40 2b3c s TYR 4 N -2.41 2.93 0.39 1.90 2.02 -1.26 -1.38 117.35 119.54 2b3c s TYR 4 Ca 0.19 -0.03 -0.15 0.00 -0.37 0.00 0.00 57.07 56.71 2b3c s TYR 4 Cb -0.03 -1.57 -0.08 0.00 -0.40 0.00 0.00 41.96 39.87 2b3c s TYR 4 CO 0.06 0.43 0.81 -0.51 -1.57 0.00 0.00 175.55 174.78 2b3c s LEU 5 N -1.83 3.92 0.00 -1.29 1.43 -1.10 0.50 118.68 120.31 2b3c s LEU 5 Ca 0.21 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 2b3c s LEU 5 Cb -0.11 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2b3c s LEU 5 CO 0.12 -0.33 0.00 1.33 0.23 0.00 0.00 176.35 177.70 2b3c n VAL 6 N -0.83 0.00 -4.57 -1.59 0.24 -1.26 -4.15 118.33 106.17 2b3c n VAL 6 Ca 0.04 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.07 2b3c n VAL 6 Cb 0.54 -0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 32.26 2b3c n VAL 6 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2b3c s GLU 7 N -1.23 1.96 0.12 7.34 2.12 0.44 -4.76 118.70 124.68 2b3c s GLU 7 Ca 0.00 -2.20 -0.33 0.00 0.36 0.00 0.00 54.97 52.80 2b3c s GLU 7 Cb 0.00 -0.88 -0.12 0.00 0.26 0.00 0.00 34.13 33.39 2b3c s GLU 7 CO 0.00 -0.41 1.54 0.87 -0.54 0.00 0.00 175.26 176.72 2b3c h LYS 8 N 1.73 -0.52 0.00 4.30 1.57 -1.97 0.50 116.57 122.17 2b3c h LYS 8 Ca -0.38 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2b3c h LYS 8 Cb 1.28 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2b3c h LYS 8 CO 0.63 -0.35 0.00 0.25 -0.57 0.00 0.00 179.45 179.41 2b3c n THR 9 N -5.37 1.07 0.00 -0.16 -2.24 -1.26 -4.82 114.28 101.50 2b3c n THR 9 Ca -0.06 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 2b3c n THR 9 Cb 0.37 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2b3c n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b3c n GLY 10 N -0.47 1.88 3.17 3.38 0.00 0.17 -4.60 105.19 108.73 2b3c n GLY 10 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2b3c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3c n LYS 12 N -1.54 0.84 -3.70 0.00 2.85 -1.26 0.16 118.16 115.51 2b3c n LYS 12 Ca 0.02 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.98 2b3c n LYS 12 Cb 0.57 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.80 2b3c n LYS 12 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2b3c s LYS 13 N -2.00 0.68 0.29 -1.58 1.02 -1.26 -4.62 119.74 112.27 2b3c s LYS 13 Ca 0.00 -1.08 -0.16 0.00 0.02 0.00 0.00 55.97 54.75 2b3c s LYS 13 Cb 0.00 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2b3c s LYS 13 CO 0.00 -1.01 0.72 0.99 -0.92 0.00 0.00 175.35 175.13 2b3c s THR 14 N 1.58 4.66 0.19 2.17 2.01 -1.26 -1.77 115.64 123.23 2b3c s THR 14 Ca 0.10 1.01 0.06 0.00 0.31 0.00 0.00 61.69 63.17 2b3c s THR 14 Cb -0.18 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 2b3c s THR 14 CO -0.24 -0.07 -0.09 0.00 -0.69 0.00 0.00 174.62 173.52 2b3c n TYR 16 N -0.33 0.00 -3.81 0.00 4.01 -1.26 -4.62 117.16 111.15 2b3c n TYR 16 Ca -0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.31 2b3c n TYR 16 Cb 0.61 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.53 2b3c n TYR 16 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2b3c s LYS 17 N -2.24 2.16 0.76 -0.72 1.02 -1.26 -5.09 119.74 114.36 2b3c s LYS 17 Ca 0.22 -2.22 -0.11 0.00 0.02 0.00 0.00 55.97 53.88 2b3c s LYS 17 Cb 0.19 -3.56 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2b3c s LYS 17 CO 0.45 -1.10 1.09 -0.51 -0.92 0.00 0.00 175.35 174.35 2b3c s LEU 18 N 0.44 3.07 0.00 3.17 1.43 -1.26 -4.56 118.68 120.96 2b3c s LEU 18 Ca 0.13 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2b3c s LEU 18 Cb -0.22 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.48 2b3c s LEU 18 CO -0.04 -1.95 0.00 0.61 0.23 0.00 0.00 176.35 175.20 2b3c n GLY 19 N -1.23 -1.79 3.48 -3.19 0.00 -1.19 -4.75 105.19 96.51 2b3c n GLY 19 Ca 0.09 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 2b3c n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2b3c n GLU 20 N 0.00 0.25 -3.10 1.61 2.13 -1.26 -3.45 120.64 116.82 2b3c n GLU 20 Ca 0.00 -0.63 -0.45 0.00 0.66 0.00 0.00 57.16 56.73 2b3c n GLU 20 Cb 0.00 -2.60 -0.03 0.00 0.27 0.00 0.00 31.44 29.08 2b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2b3c s ASN 21 N 5.93 6.59 0.33 4.31 3.84 -1.26 -4.90 114.94 129.78 2b3c s ASN 21 Ca 0.92 -2.14 0.09 0.00 0.21 0.00 0.00 52.86 51.94 2b3c s ASN 21 Cb -0.32 -2.31 0.97 0.00 -0.55 0.00 0.00 41.25 39.03 2b3c s ASN 21 CO 0.24 -0.91 1.58 0.44 -2.79 0.00 0.00 177.10 175.66 2b3c h ASP 22 N 8.54 -0.17 -0.10 -4.21 3.32 -1.90 0.14 116.42 122.04 2b3c h ASP 22 Ca 0.05 0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.40 2b3c h ASP 22 Cb 1.04 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 40.93 2b3c h ASP 22 CO 0.98 -0.38 -0.52 0.15 -1.72 0.00 0.00 179.24 177.75 2b3c h PHE 23 N 0.02 -1.55 -0.46 4.55 3.04 -1.95 0.99 116.94 121.58 2b3c h PHE 23 Ca 0.69 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.70 2b3c h PHE 23 Cb 1.59 0.69 -0.02 0.00 2.56 0.00 0.00 35.95 40.77 2b3c h PHE 23 CO -0.31 -0.55 0.30 0.00 -2.02 0.00 0.00 178.31 175.73 2b3c h ASN 25 N 0.62 -0.15 -0.76 0.00 -0.73 -0.22 0.29 115.58 114.62 2b3c h ASN 25 Ca 0.17 0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.42 2b3c h ASN 25 Cb -0.07 0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.58 2b3c h ASN 25 CO -0.04 -0.05 0.48 0.03 -0.37 0.00 0.00 177.43 177.48 2b3c h ARG 26 N 0.01 0.90 0.00 6.67 3.08 0.13 -0.24 114.38 124.93 2b3c h ARG 26 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2b3c h ARG 26 Cb 0.12 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2b3c h ARG 26 CO -0.17 0.60 -0.08 0.93 -1.07 0.00 0.00 179.97 180.17 2b3c h GLU 27 N 0.93 0.00 0.17 0.04 5.08 -0.43 -1.89 114.58 118.47 2b3c h GLU 27 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2b3c h GLU 27 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2b3c h GLU 27 CO -0.12 0.08 -0.08 0.00 -1.00 0.00 0.00 179.01 177.89 2b3c n LYS 29 N -4.92 0.52 0.00 0.00 4.81 -0.64 -4.44 118.16 113.50 2b3c n LYS 29 Ca -0.04 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2b3c n LYS 29 Cb 0.15 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.70 2b3c n LYS 29 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 2b3c n TRP 30 N -1.04 0.00 -1.23 5.64 -0.00 -0.71 -4.62 117.44 115.48 2b3c n TRP 30 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 2b3c n TRP 30 Cb 0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 31.31 31.22 2b3c n TRP 30 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2b3c n LYS 31 N -2.14 0.00 -2.09 5.87 4.81 -1.26 -5.07 118.16 118.28 2b3c n LYS 31 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2b3c n LYS 31 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2b3c n LYS 31 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2b3c s HIS 32 N 1.11 2.10 0.00 5.64 3.76 -1.26 -4.59 115.29 122.04 2b3c s HIS 32 Ca 0.00 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 2b3c s HIS 32 Cb 0.00 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.77 2b3c s HIS 32 CO 0.00 -3.19 0.00 -0.89 -0.85 0.00 0.00 174.74 169.81 2b3c n ILE 33 N 6.03 0.00 -0.41 0.60 -0.00 -1.26 -5.04 119.36 119.28 2b3c n ILE 33 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 2b3c n ILE 33 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.08 2b3c n ILE 33 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2b3c n GLY 34 N -1.03 1.65 3.52 7.39 0.00 -1.26 -4.01 105.19 111.45 2b3c n GLY 34 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2b3c n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3c s GLY 35 N -2.21 1.07 0.29 -0.02 0.00 -1.26 -4.38 107.32 100.82 2b3c s GLY 35 Ca 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 44.72 43.17 2b3c s GLY 35 CO 0.00 2.49 1.68 1.48 0.00 0.00 0.00 173.10 178.75 2b3c h SER 36 N 9.85 0.19 -3.54 1.64 4.64 -1.78 -3.44 113.55 121.12 2b3c h SER 36 Ca -0.22 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 60.80 2b3c h SER 36 Cb 1.05 -0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 62.79 2b3c h SER 36 CO 1.26 0.63 -0.54 -0.47 -0.87 0.00 0.00 176.83 176.84 2b3c s TYR 37 N -4.03 -0.22 -0.14 4.77 6.14 -1.21 -5.04 117.35 117.63 2b3c s TYR 37 Ca -0.04 0.56 -0.04 0.00 0.64 0.00 0.00 57.07 58.18 2b3c s TYR 37 Cb 0.13 0.00 0.05 0.00 0.42 0.00 0.00 41.96 42.57 2b3c s TYR 37 CO 0.77 -0.16 0.08 0.20 0.64 0.00 0.00 175.55 177.08 2b3c s GLY 38 N 0.82 0.32 0.18 8.97 0.00 -1.26 -0.79 107.32 115.55 2b3c s GLY 38 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.46 2b3c s GLY 38 CO -0.04 1.65 0.11 -2.52 0.00 0.00 0.00 173.10 172.30 2b3c s TYR 39 N 2.15 1.07 -0.15 1.90 1.13 0.39 -2.50 117.35 121.34 2b3c s TYR 39 Ca 0.03 -1.34 -0.23 0.00 -1.41 0.00 0.00 57.07 54.11 2b3c s TYR 39 Cb -0.15 -0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 40.15 2b3c s TYR 39 CO -0.08 -0.61 0.74 0.00 -2.51 0.00 0.00 175.55 173.10 2b3c s TYR 41 N 1.72 1.25 -1.17 0.00 5.04 0.14 -3.17 117.35 121.17 2b3c s TYR 41 Ca 0.35 -0.45 -0.04 0.00 -2.44 0.00 0.00 57.07 54.49 2b3c s TYR 41 Cb -0.17 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.19 2b3c s TYR 41 CO 0.13 -0.26 1.00 0.41 -1.34 0.00 0.00 175.55 175.49 2b3c n GLY 42 N 3.92 -0.35 3.27 8.97 0.00 -1.26 -3.32 105.19 116.42 2b3c n GLY 42 Ca -0.23 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2b3c n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b3c n PHE 43 N -4.32 -2.57 0.00 1.61 3.01 -1.26 -5.00 117.46 108.93 2b3c n PHE 43 Ca -0.13 0.91 0.00 0.00 1.01 0.00 0.00 57.45 59.24 2b3c n PHE 43 Cb 0.60 -3.93 0.00 0.00 -0.01 0.00 0.00 39.48 36.14 2b3c n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b3c n GLY 44 N -1.54 1.87 3.56 1.37 0.00 -1.21 -4.15 105.19 105.09 2b3c n GLY 44 Ca -0.06 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2b3c n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b3c s TYR 46 N 8.25 3.54 0.20 0.00 5.04 0.35 -2.69 117.35 132.04 2b3c s TYR 46 Ca 0.68 0.42 0.05 0.00 -2.44 0.00 0.00 57.07 55.78 2b3c s TYR 46 Cb -0.14 -1.88 -0.05 0.00 0.35 0.00 0.00 41.96 40.23 2b3c s TYR 46 CO 0.24 0.59 -0.08 0.00 -1.34 0.00 0.00 175.55 174.96 2b3c s GLU 48 N -3.75 0.37 0.00 0.00 2.02 0.03 -1.60 118.70 115.76 2b3c s GLU 48 Ca 0.22 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.37 2b3c s GLU 48 Cb 0.03 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.32 2b3c s GLU 48 CO 0.05 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2b3c n GLY 49 N 5.20 1.95 3.65 -1.39 0.00 0.70 -2.96 105.19 112.34 2b3c n GLY 49 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2b3c n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b3c s LEU 50 N 0.00 4.11 0.76 0.99 1.43 -1.10 -4.02 118.68 120.84 2b3c s LEU 50 Ca 0.00 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 2b3c s LEU 50 Cb 0.00 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.33 2b3c s LEU 50 CO 0.00 -0.35 1.22 -2.84 0.23 0.00 0.00 176.35 174.62 2b3c s PRO 51 N 2.24 1.92 0.63 1.29 0.02 -1.26 -4.76 135.00 135.08 2b3c s PRO 51 Ca 0.29 1.82 0.37 0.00 0.02 0.00 0.00 61.00 63.50 2b3c s PRO 51 Cb -0.16 -1.80 2.02 0.00 0.02 0.00 0.00 34.50 34.58 2b3c s PRO 51 CO 0.09 -2.01 2.13 -0.44 -0.33 0.00 0.00 177.00 176.44 2b3c h ASP 52 N -0.49 0.00 -0.09 2.53 5.19 -1.97 0.22 116.42 121.81 2b3c h ASP 52 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2b3c h ASP 52 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2b3c h ASP 52 CO 0.48 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 175.40 2b3c n SER 53 N -2.91 0.67 -4.83 6.45 7.64 -1.26 -4.81 113.62 114.58 2b3c n SER 53 Ca -0.02 -1.72 -0.36 0.00 1.01 0.00 0.00 58.87 57.77 2b3c n SER 53 Cb 0.17 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 2b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2b3c s THR 54 N -1.88 5.47 -0.14 0.44 2.01 0.76 -5.07 115.64 117.22 2b3c s THR 54 Ca 0.21 0.22 -0.25 0.00 0.31 0.00 0.00 61.69 62.18 2b3c s THR 54 Cb 0.11 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 2b3c s THR 54 CO 0.16 0.56 0.82 -1.58 -0.69 0.00 0.00 174.62 173.89 2b3c s GLN 55 N -0.55 4.33 0.40 4.92 2.00 -1.26 -4.93 119.66 124.57 2b3c s GLN 55 Ca 0.13 1.02 0.04 0.00 -2.00 0.00 0.00 55.36 54.54 2b3c s GLN 55 Cb -0.12 -3.55 -0.05 0.00 0.80 0.00 0.00 33.01 30.10 2b3c s GLN 55 CO 0.02 -0.25 0.05 0.95 -0.50 0.00 0.00 175.29 175.57 2b3c s THR 56 N 1.87 1.21 0.22 -0.34 -4.23 -1.26 -4.64 115.64 108.47 2b3c s THR 56 Ca 0.39 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 2b3c s THR 56 Cb -0.17 -2.61 -0.07 0.00 1.34 0.00 0.00 72.50 70.99 2b3c s THR 56 CO 0.14 0.00 0.57 0.86 -0.54 0.00 0.00 174.62 175.65 2b3c s TRP 57 N -3.07 3.45 1.22 3.99 -0.00 0.18 -3.88 118.94 120.82 2b3c s TRP 57 Ca 0.27 0.94 -0.20 0.00 -0.00 0.00 0.00 56.10 57.11 2b3c s TRP 57 Cb 0.06 -2.31 0.30 0.00 -0.00 0.00 0.00 33.47 31.52 2b3c s TRP 57 CO 0.13 0.28 1.12 -0.35 -0.00 0.00 0.00 176.95 178.13 2b3c n PRO 58 N 0.01 -3.01 -2.70 5.86 -0.04 -1.26 -4.13 135.00 129.73 2b3c n PRO 58 Ca -0.00 -1.79 -0.22 0.00 -0.04 0.00 0.00 63.50 61.45 2b3c n PRO 58 Cb 0.52 -1.62 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 2b3c n PRO 58 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b3c s LEU 59 N 0.00 3.08 0.00 1.53 1.02 -1.25 -5.09 118.68 117.97 2b3c s LEU 59 Ca 0.72 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.46 2b3c s LEU 59 Cb -0.07 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 44.06 2b3c s LEU 59 CO 0.55 -1.60 0.00 -2.65 0.02 0.00 0.00 176.35 172.67 2b3c n PRO 60 N -2.60 0.38 0.19 1.29 -0.02 -1.26 -4.64 135.00 128.35 2b3c n PRO 60 Ca 0.14 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.79 2b3c n PRO 60 Cb 0.61 0.00 0.70 0.00 -0.02 0.00 0.00 33.50 34.79 2b3c n PRO 60 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2b3c h ASN 61 N -0.67 0.00 -0.79 2.55 4.21 -2.05 -3.08 115.58 115.75 2b3c h ASN 61 Ca 0.00 0.00 -0.74 0.00 1.21 0.00 0.00 56.30 56.77 2b3c h ASN 61 Cb 0.00 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.09 2b3c h ASN 61 CO 0.00 0.00 2.50 1.17 -1.29 0.00 0.00 177.43 179.81 2b3c n LYS 62 N -3.24 3.30 -0.96 0.81 4.81 -1.26 -4.98 118.16 116.64 2b3c n LYS 62 Ca 0.04 -3.13 -0.29 0.00 -0.87 0.00 0.00 58.31 54.05 2b3c n LYS 62 Cb 0.61 -3.08 0.22 0.00 0.02 0.00 0.00 35.03 32.80 2b3c n LYS 62 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2b3c s THR 63 N 1.58 1.78 -2.09 3.15 2.01 -1.17 -4.81 115.64 116.09 2b3c s THR 63 Ca 0.43 0.00 0.31 0.00 0.31 0.00 0.00 61.69 62.74 2b3c s THR 63 Cb 0.11 -2.38 0.84 0.00 0.01 0.00 0.00 72.50 71.08 2b3c s THR 63 CO -0.04 0.00 2.14 0.00 -0.69 0.00 0.00 174.62 176.03