#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3c s ASP 2 N 0.00 6.40 0.04 -5.58 1.01 -1.26 -4.38 116.67 112.90 1b3c s ASP 2 Ca 0.00 0.64 -0.01 0.00 0.71 0.00 0.00 52.55 53.89 1b3c s ASP 2 Cb 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1b3c s ASP 2 CO 0.00 -0.23 0.08 0.61 0.21 0.00 0.00 175.17 175.84 1b3c n GLY 3 N -1.18 2.51 3.88 0.21 0.00 -0.87 -4.99 105.19 104.75 1b3c n GLY 3 Ca -0.02 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1b3c n GLY 3 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b3c s TYR 4 N -6.27 3.59 0.20 1.61 2.02 -1.26 -1.35 117.35 115.90 1b3c s TYR 4 Ca 0.03 0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 56.95 1b3c s TYR 4 Cb -0.00 -1.94 -0.08 0.00 -0.40 0.00 0.00 41.96 39.54 1b3c s TYR 4 CO 0.02 0.70 1.12 -0.51 -1.57 0.00 0.00 175.55 175.31 1b3c s LEU 5 N -1.31 4.50 0.00 -1.29 1.43 0.17 -1.08 118.68 121.09 1b3c s LEU 5 Ca 0.19 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1b3c s LEU 5 Cb -0.12 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1b3c s LEU 5 CO 0.09 -0.23 0.00 1.33 0.23 0.00 0.00 176.35 177.77 1b3c n VAL 6 N 2.12 0.00 -3.92 -1.59 0.24 -1.26 -4.36 118.33 109.56 1b3c n VAL 6 Ca 0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.09 1b3c n VAL 6 Cb 0.45 -1.28 -0.00 0.00 -1.47 0.00 0.00 33.84 31.54 1b3c n VAL 6 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1b3c n GLU 7 N -0.79 0.80 -0.14 7.34 0.00 0.76 -4.72 120.64 123.90 1b3c n GLU 7 Ca 0.00 -3.02 0.04 0.00 0.00 0.00 0.00 57.16 54.18 1b3c n GLU 7 Cb 0.00 0.37 0.34 0.00 0.00 0.00 0.00 31.44 32.15 1b3c n GLU 7 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1b3c h LYS 8 N 0.00 0.76 -0.02 5.31 1.63 -1.93 -1.27 116.57 121.05 1b3c h LYS 8 Ca -0.31 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1b3c h LYS 8 Cb 1.11 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1b3c h LYS 8 CO 0.49 0.50 -0.10 0.25 -3.45 0.00 0.00 179.45 177.15 1b3c n THR 9 N -4.46 0.00 0.00 1.00 -2.24 -1.26 -4.90 114.28 102.42 1b3c n THR 9 Ca 0.07 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1b3c n THR 9 Cb 0.11 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1b3c n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b3c n GLY 10 N 1.30 0.97 0.00 3.38 0.00 -0.48 -4.62 105.19 105.74 1b3c n GLY 10 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1b3c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c n LYS 12 N -0.78 0.97 -2.80 0.00 4.01 -1.26 0.27 118.16 118.57 1b3c n LYS 12 Ca 0.00 -1.06 -0.12 0.00 -0.51 0.00 0.00 58.31 56.62 1b3c n LYS 12 Cb 0.00 -0.02 0.01 0.00 -0.51 0.00 0.00 35.03 34.51 1b3c n LYS 12 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1b3c n LYS 13 N -1.28 1.17 -1.28 1.97 3.00 -1.26 -4.45 118.16 116.03 1b3c n LYS 13 Ca 0.04 -3.33 -0.40 0.00 -0.00 0.00 0.00 58.31 54.62 1b3c n LYS 13 Cb 0.20 -1.40 0.01 0.00 0.00 0.00 0.00 35.03 33.84 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1b3c n THR 14 N 0.02 0.32 -4.20 3.15 -1.04 -1.26 -4.14 114.28 107.14 1b3c n THR 14 Ca 0.14 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.53 1b3c n THR 14 Cb 0.77 -0.03 -0.10 0.00 -1.82 0.00 0.00 70.33 69.15 1b3c n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b3c n TYR 16 N -0.15 0.10 -3.39 0.00 4.01 -1.26 -4.65 117.16 111.83 1b3c n TYR 16 Ca -0.08 0.03 -0.45 0.00 -0.16 0.00 0.00 57.90 57.24 1b3c n TYR 16 Cb 0.62 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 1b3c n TYR 16 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1b3c s LYS 17 N -3.22 3.61 0.06 -0.72 2.20 -1.26 -5.03 119.74 115.38 1b3c s LYS 17 Ca 0.02 -2.68 -0.31 0.00 -0.36 0.00 0.00 55.97 52.64 1b3c s LYS 17 Cb 0.15 -4.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.03 1b3c s LYS 17 CO 0.85 -1.27 1.53 -0.51 -0.36 0.00 0.00 175.35 175.59 1b3c s LEU 18 N -0.26 4.35 0.00 5.43 1.43 -1.26 -4.51 118.68 123.86 1b3c s LEU 18 Ca 0.21 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1b3c s LEU 18 Cb -0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1b3c s LEU 18 CO -0.08 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1b3c n GLY 19 N 3.79 -1.40 3.87 -3.19 0.00 0.93 -4.88 105.19 104.30 1b3c n GLY 19 Ca 0.14 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 1b3c n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b3c n GLU 20 N -0.97 -0.70 -3.35 1.61 2.13 -1.26 -4.69 120.64 113.40 1b3c n GLU 20 Ca 0.00 -0.04 -0.38 0.00 0.66 0.00 0.00 57.16 57.41 1b3c n GLU 20 Cb 0.00 -1.91 -0.04 0.00 0.27 0.00 0.00 31.44 29.76 1b3c n GLU 20 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1b3c n ASN 21 N -1.53 5.02 -0.46 4.31 2.85 -1.26 -4.89 115.26 119.29 1b3c n ASN 21 Ca -0.15 -3.28 0.39 0.00 -0.11 0.00 0.00 54.58 51.44 1b3c n ASN 21 Cb 0.43 -1.09 0.67 0.00 1.24 0.00 0.00 39.78 41.04 1b3c n ASN 21 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1b3c h ASP 22 N 5.51 0.21 -0.87 1.20 1.82 -1.88 0.98 116.42 123.40 1b3c h ASP 22 Ca 0.18 0.16 0.21 0.00 -0.39 0.00 0.00 57.03 57.20 1b3c h ASP 22 Cb 0.72 0.16 -0.15 0.00 0.68 0.00 0.00 39.33 40.74 1b3c h ASP 22 CO 1.03 -0.25 0.02 0.15 -1.61 0.00 0.00 179.24 178.57 1b3c h PHE 23 N 0.02 -0.05 0.35 0.28 3.57 -1.94 0.47 116.94 119.65 1b3c h PHE 23 Ca 0.87 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 62.43 1b3c h PHE 23 Cb 2.77 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 41.67 1b3c h PHE 23 CO -0.01 -0.32 -0.23 0.00 -2.23 0.00 0.00 178.31 175.53 1b3c h ASN 25 N -0.57 -0.60 -0.80 0.00 2.35 -1.07 0.35 115.58 115.24 1b3c h ASN 25 Ca -0.03 0.18 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1b3c h ASN 25 Cb 0.47 0.38 -0.07 0.00 0.05 0.00 0.00 38.32 39.15 1b3c h ASN 25 CO 0.03 -0.21 0.45 -0.09 -1.65 0.00 0.00 177.43 175.96 1b3c h ARG 26 N -0.03 0.73 0.00 0.81 2.43 -0.89 0.64 114.38 118.07 1b3c h ARG 26 Ca 0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1b3c h ARG 26 Cb 0.44 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1b3c h ARG 26 CO -0.59 0.48 0.00 -1.91 -1.51 0.00 0.00 179.97 176.44 1b3c n GLU 27 N -4.77 0.05 0.10 0.20 2.13 0.24 -2.64 120.64 115.94 1b3c n GLU 27 Ca 0.13 0.05 -0.23 0.00 0.66 0.00 0.00 57.16 57.77 1b3c n GLU 27 Cb 0.28 -1.55 -0.15 0.00 0.27 0.00 0.00 31.44 30.28 1b3c n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b3c h LYS 29 N -0.08 0.00 0.00 0.00 2.10 -1.53 -3.37 116.57 113.69 1b3c h LYS 29 Ca -0.23 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.37 1b3c h LYS 29 Cb 1.94 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 33.30 1b3c h LYS 29 CO 0.21 0.16 -0.02 -2.67 -2.00 0.00 0.00 179.45 175.12 1b3c n TRP 30 N -2.82 -1.69 -1.60 0.07 -0.00 -1.08 -2.73 117.44 107.58 1b3c n TRP 30 Ca -0.04 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.50 57.32 1b3c n TRP 30 Cb 0.69 -0.27 -0.02 0.00 -0.00 0.00 0.00 31.31 31.71 1b3c n TRP 30 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1b3c n LYS 31 N -1.70 -1.60 -3.24 -2.67 4.81 -1.26 -2.75 118.16 109.75 1b3c n LYS 31 Ca 0.02 0.38 -0.21 0.00 -0.87 0.00 0.00 58.31 57.62 1b3c n LYS 31 Cb 0.08 -4.64 0.02 0.00 0.02 0.00 0.00 35.03 30.51 1b3c n LYS 31 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1b3c n HIS 32 N -1.94 -2.97 0.00 5.64 8.25 -1.18 -4.96 115.22 118.06 1b3c n HIS 32 Ca -0.07 1.21 0.00 0.00 -0.26 0.00 0.00 57.72 58.60 1b3c n HIS 32 Cb 0.33 -3.06 0.00 0.00 1.12 0.00 0.00 29.99 28.38 1b3c n HIS 32 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1b3c n ILE 33 N -0.69 0.00 0.00 1.59 0.13 -1.11 -5.12 119.36 114.16 1b3c n ILE 33 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 1b3c n ILE 33 Cb 0.58 -0.77 0.00 0.00 -0.84 0.00 0.00 39.64 38.61 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1b3c n GLY 34 N 2.35 0.48 3.31 4.50 0.00 -1.25 -4.62 105.19 109.96 1b3c n GLY 34 Ca 0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1b3c n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b3c s GLY 35 N 0.00 1.69 0.09 -0.02 0.00 -1.26 -4.38 107.32 103.45 1b3c s GLY 35 Ca 0.00 -1.34 0.19 0.00 0.00 0.00 0.00 44.72 43.56 1b3c s GLY 35 CO 0.00 0.54 0.85 -1.14 0.00 0.00 0.00 173.10 173.35 1b3c n SER 36 N 4.80 0.79 -3.75 1.64 3.41 -1.25 -4.72 113.62 114.54 1b3c n SER 36 Ca -0.16 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 1b3c n SER 36 Cb 0.49 0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 64.68 1b3c n SER 36 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1b3c s TYR 37 N -3.06 -0.37 -0.27 7.33 1.51 -1.20 -5.00 117.35 116.29 1b3c s TYR 37 Ca -0.03 0.90 -0.25 0.00 -1.01 0.00 0.00 57.07 56.68 1b3c s TYR 37 Cb 0.09 0.13 0.09 0.00 -0.11 0.00 0.00 41.96 42.15 1b3c s TYR 37 CO 0.81 -0.19 0.81 0.20 -1.11 0.00 0.00 175.55 176.07 1b3c s GLY 38 N 0.36 -0.43 0.38 0.71 0.00 -1.26 -1.23 107.32 105.85 1b3c s GLY 38 Ca -0.02 2.22 -0.14 0.00 0.00 0.00 0.00 44.72 46.78 1b3c s GLY 38 CO -0.01 1.77 0.75 1.58 0.00 0.00 0.00 173.10 177.19 1b3c n TYR 39 N 2.54 -2.29 -4.39 1.90 0.18 -0.01 -4.00 117.16 111.10 1b3c n TYR 39 Ca -0.14 -1.81 -0.34 0.00 1.88 0.00 0.00 57.90 57.50 1b3c n TYR 39 Cb 0.55 0.88 -0.15 0.00 -0.38 0.00 0.00 39.34 40.25 1b3c n TYR 39 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1b3c s TYR 41 N 0.90 0.62 -1.42 0.00 5.04 0.55 -0.05 117.35 122.98 1b3c s TYR 41 Ca -0.03 -0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 54.14 1b3c s TYR 41 Cb -0.15 -0.38 0.02 0.00 0.35 0.00 0.00 41.96 41.81 1b3c s TYR 41 CO -0.01 -0.07 0.58 0.41 -1.34 0.00 0.00 175.55 175.12 1b3c n GLY 42 N 1.72 -0.29 3.24 8.97 0.00 -1.26 -2.91 105.19 114.67 1b3c n GLY 42 Ca -0.21 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1b3c n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b3c n PHE 43 N -4.40 -3.00 0.00 1.61 3.72 -1.26 -4.96 117.46 109.17 1b3c n PHE 43 Ca -0.24 1.23 0.00 0.00 -0.05 0.00 0.00 57.45 58.39 1b3c n PHE 43 Cb 0.65 -2.88 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 1b3c n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b3c n GLY 44 N -0.40 3.26 3.79 1.37 0.00 -1.15 -4.03 105.19 108.04 1b3c n GLY 44 Ca -0.01 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 1b3c n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c s TYR 46 N -0.72 2.41 0.09 0.00 5.04 0.60 0.42 117.35 125.19 1b3c s TYR 46 Ca 0.31 -0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.56 1b3c s TYR 46 Cb -0.19 -1.25 -0.02 0.00 0.35 0.00 0.00 41.96 40.85 1b3c s TYR 46 CO 0.19 0.42 0.13 0.00 -1.34 0.00 0.00 175.55 174.96 1b3c s GLU 48 N -3.90 0.00 0.00 0.00 2.02 -0.36 -2.06 118.70 114.39 1b3c s GLU 48 Ca 0.08 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1b3c s GLU 48 Cb 0.06 -0.86 0.00 0.00 0.10 0.00 0.00 34.13 33.43 1b3c s GLU 48 CO -0.09 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.17 1b3c n GLY 49 N 5.30 1.51 3.71 -1.39 0.00 -1.26 -3.21 105.19 109.85 1b3c n GLY 49 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1b3c n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b3c s LEU 50 N 0.00 4.37 0.48 0.99 2.01 -1.26 -4.72 118.68 120.55 1b3c s LEU 50 Ca 0.00 2.19 -0.21 0.00 0.01 0.00 0.00 54.13 56.12 1b3c s LEU 50 Cb 0.00 -3.58 -0.10 0.00 0.01 0.00 0.00 46.19 42.52 1b3c s LEU 50 CO 0.00 -0.58 0.70 -2.65 1.01 0.00 0.00 176.35 174.82 1b3c n PRO 51 N 3.98 0.78 -0.23 1.29 -0.02 -1.26 -4.78 135.00 134.76 1b3c n PRO 51 Ca 0.10 0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 1b3c n PRO 51 Cb 0.44 -1.76 0.13 0.00 -0.02 0.00 0.00 33.50 32.30 1b3c n PRO 51 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1b3c h ASP 52 N 0.80 -0.30 -0.49 2.55 1.82 -1.99 0.28 116.42 119.09 1b3c h ASP 52 Ca -0.44 0.17 0.13 0.00 -0.39 0.00 0.00 57.03 56.51 1b3c h ASP 52 Cb 1.38 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 41.67 1b3c h ASP 52 CO 0.51 -0.14 0.35 0.77 -1.61 0.00 0.00 179.24 179.12 1b3c h SER 53 N 0.12 0.06 -3.96 2.28 4.64 -2.03 -3.42 113.55 111.25 1b3c h SER 53 Ca 0.37 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.16 1b3c h SER 53 Cb 0.64 -0.01 0.11 0.00 -0.31 0.00 0.00 62.40 62.83 1b3c h SER 53 CO -0.60 0.04 0.75 -0.89 -0.87 0.00 0.00 176.83 175.26 1b3c s THR 54 N -5.08 2.07 0.46 2.95 2.01 0.98 -5.00 115.64 114.02 1b3c s THR 54 Ca -0.05 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1b3c s THR 54 Cb 0.19 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.67 1b3c s THR 54 CO 0.73 0.01 0.66 -1.10 -0.69 0.00 0.00 174.62 174.24 1b3c s GLN 55 N -2.20 2.88 0.30 4.92 -1.52 -1.26 -4.90 119.66 117.87 1b3c s GLN 55 Ca 0.55 -0.75 -0.09 0.00 -1.95 0.00 0.00 55.36 53.13 1b3c s GLN 55 Cb -0.45 -2.60 0.01 0.00 -0.22 0.00 0.00 33.01 29.74 1b3c s GLN 55 CO 0.61 -0.36 0.51 0.95 -0.25 0.00 0.00 175.29 176.74 1b3c s THR 56 N -2.54 0.00 0.27 -0.19 -4.23 -1.26 -4.82 115.64 102.86 1b3c s THR 56 Ca 0.51 -1.45 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 1b3c s THR 56 Cb -0.10 -2.48 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 1b3c s THR 56 CO 0.36 0.00 0.65 0.86 -0.54 0.00 0.00 174.62 175.95 1b3c s TRP 57 N -3.41 3.43 0.34 3.99 -0.00 -0.24 -3.07 118.94 119.99 1b3c s TRP 57 Ca 0.25 1.08 -0.27 0.00 -0.00 0.00 0.00 56.10 57.17 1b3c s TRP 57 Cb -0.01 -2.42 -0.09 0.00 -0.00 0.00 0.00 33.47 30.95 1b3c s TRP 57 CO 0.14 0.20 1.07 -1.25 -0.00 0.00 0.00 176.95 177.11 1b3c s PRO 58 N -2.77 4.38 1.21 5.86 0.04 -1.26 -4.06 135.00 138.39 1b3c s PRO 58 Ca 0.50 1.65 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 1b3c s PRO 58 Cb -0.11 -2.85 0.24 0.00 0.04 0.00 0.00 34.50 31.82 1b3c s PRO 58 CO 0.19 0.02 0.52 1.28 0.04 0.00 0.00 177.00 179.06 1b3c n LEU 59 N 0.52 -1.53 0.00 -3.56 4.32 -1.18 -4.97 117.00 110.60 1b3c n LEU 59 Ca 0.02 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 1b3c n LEU 59 Cb 0.47 -0.99 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 1b3c n LEU 59 CO 0.49 -3.57 0.00 -2.65 -1.22 0.00 0.00 177.39 170.44 1b3c n PRO 60 N -3.64 -1.12 -0.19 3.23 -0.01 -1.26 -4.65 135.00 127.36 1b3c n PRO 60 Ca 0.05 0.00 0.27 0.00 -0.01 0.00 0.00 63.50 63.81 1b3c n PRO 60 Cb 0.54 0.00 0.68 0.00 -0.01 0.00 0.00 33.50 34.71 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 175.50 174.58 1b3c h ASN 61 N -1.40 0.08 -0.27 2.55 -0.26 -2.03 -2.67 115.58 111.57 1b3c h ASN 61 Ca 0.00 0.01 -0.69 0.00 -0.56 0.00 0.00 56.30 55.06 1b3c h ASN 61 Cb 0.00 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1b3c h ASN 61 CO 0.00 0.03 3.38 1.17 -1.06 0.00 0.00 177.43 180.95 1b3c n LYS 62 N -4.32 3.69 -0.41 0.81 4.81 -1.26 -4.96 118.16 116.52 1b3c n LYS 62 Ca 0.19 -2.57 -0.29 0.00 -0.87 0.00 0.00 58.31 54.77 1b3c n LYS 62 Cb 0.91 -2.87 0.28 0.00 0.02 0.00 0.00 35.03 33.36 1b3c n LYS 62 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1b3c s THR 63 N 1.70 1.59 -2.00 3.15 2.01 -1.01 -4.93 115.64 116.15 1b3c s THR 63 Ca 0.61 0.00 0.12 0.00 0.31 0.00 0.00 61.69 62.73 1b3c s THR 63 Cb 0.17 -2.04 0.34 0.00 0.01 0.00 0.00 72.50 70.98 1b3c s THR 63 CO -0.07 0.00 1.14 0.00 -0.69 0.00 0.00 174.62 175.01