#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 4.49 0.22 3.14 1.01 -1.26 0.12 116.67 124.39 1b3c s ASP 2 Ca 0.00 -0.31 0.02 0.00 0.71 0.00 0.00 52.55 52.97 1b3c s ASP 2 Cb 0.00 -1.76 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1b3c s ASP 2 CO 0.00 0.03 0.08 0.61 0.21 0.00 0.00 175.17 176.10 1b3c n GLY 3 N 4.48 3.63 3.45 0.21 0.00 -0.14 -4.96 105.19 111.86 1b3c n GLY 3 Ca -0.18 -2.02 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.39 2.32 0.11 1.61 2.02 -1.25 -1.85 117.35 117.92 1b3c s TYR 4 Ca 0.11 -0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.26 1b3c s TYR 4 Cb 0.01 -1.08 -0.07 0.00 -0.40 0.00 0.00 41.96 40.41 1b3c s TYR 4 CO 0.08 0.59 0.66 -0.51 -1.57 0.00 0.00 175.55 174.80 1b3c s LEU 5 N -3.05 4.56 0.00 -1.29 1.43 -1.20 -0.17 118.68 118.96 1b3c s LEU 5 Ca 0.25 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.79 1b3c s LEU 5 Cb -0.07 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.10 1b3c s LEU 5 CO 0.12 0.25 0.15 1.33 0.23 0.00 0.00 176.35 178.43 1b3c n VAL 6 N 1.68 0.00 -4.15 -1.59 0.24 -1.26 -2.87 118.33 110.38 1b3c n VAL 6 Ca -0.08 -0.52 -0.17 0.00 -2.04 0.00 0.00 64.34 61.53 1b3c n VAL 6 Cb 0.50 -0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.04 0.59 -0.25 7.34 2.13 0.49 -4.70 120.64 125.20 1b3c n GLU 7 Ca 0.01 -3.00 -0.09 0.00 0.66 0.00 0.00 57.16 54.75 1b3c n GLU 7 Cb 0.16 2.71 -0.07 0.00 0.27 0.00 0.00 31.44 34.50 1b3c n GLU 7 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1b3c h LYS 8 N 0.00 -0.08 0.00 5.31 1.63 -1.99 0.62 116.57 122.07 1b3c h LYS 8 Ca -0.26 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1b3c h LYS 8 Cb 1.19 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1b3c h LYS 8 CO 0.36 -0.05 -0.10 1.79 -3.45 0.00 0.00 179.45 178.00 1b3c h THR 9 N -0.08 0.36 0.00 1.00 1.35 -2.01 -3.45 112.91 110.08 1b3c h THR 9 Ca 0.10 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1b3c h THR 9 Cb 0.33 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1b3c h THR 9 CO -0.61 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 1b3c n GLY 10 N -0.44 1.51 3.47 5.82 0.00 0.22 -4.43 105.19 111.34 1b3c n GLY 10 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.00 -0.12 -3.60 0.00 4.01 -1.26 -0.38 118.16 111.81 1b3c n LYS 12 Ca 0.05 -1.29 -0.40 0.00 -0.51 0.00 0.00 58.31 56.16 1b3c n LYS 12 Cb 0.56 -0.49 -0.09 0.00 -0.51 0.00 0.00 35.03 34.50 1b3c n LYS 12 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1b3c s LYS 13 N -4.08 2.42 0.73 1.97 1.02 -1.14 -4.72 119.74 115.94 1b3c s LYS 13 Ca 0.37 -1.86 -0.12 0.00 0.02 0.00 0.00 55.97 54.38 1b3c s LYS 13 Cb -0.02 -3.86 0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1b3c s LYS 13 CO 0.25 -1.17 1.09 0.99 -0.92 0.00 0.00 175.35 175.59 1b3c s THR 14 N 1.17 3.37 0.02 2.17 2.01 -1.26 -1.31 115.64 121.81 1b3c s THR 14 Ca 0.07 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1b3c s THR 14 Cb -0.25 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1b3c s THR 14 CO -0.02 -0.53 -0.03 0.00 -0.69 0.00 0.00 174.62 173.35 1b3c h TYR 16 N 4.90 0.00 -3.25 0.00 0.05 -1.97 -3.43 116.97 113.27 1b3c h TYR 16 Ca -0.31 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 57.73 1b3c h TYR 16 Cb 1.21 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.68 1b3c h TYR 16 CO 0.62 0.49 -0.28 0.15 -1.05 0.00 0.00 178.16 178.09 1b3c s LYS 17 N -2.98 2.78 0.79 4.88 1.02 -1.26 -5.07 119.74 119.91 1b3c s LYS 17 Ca -0.00 -1.82 -0.11 0.00 0.02 0.00 0.00 55.97 54.06 1b3c s LYS 17 Cb 0.08 -4.12 0.07 0.00 -0.52 0.00 0.00 37.83 33.34 1b3c s LYS 17 CO 0.78 -1.26 1.09 -0.51 -0.92 0.00 0.00 175.35 174.53 1b3c s LEU 18 N 1.33 2.77 0.49 3.17 1.43 -1.26 -4.49 118.68 122.13 1b3c s LEU 18 Ca 0.06 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 1b3c s LEU 18 Cb -0.27 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1b3c s LEU 18 CO 0.00 -2.07 0.00 0.61 0.23 0.00 0.00 176.35 175.12 1b3c n GLY 19 N -1.50 -3.40 2.71 -3.19 0.00 -0.94 -4.62 105.19 94.26 1b3c n GLY 19 Ca 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.47 -1.00 -2.45 1.61 4.07 -1.26 -4.63 120.64 113.51 1b3c n GLU 20 Ca -0.06 -0.11 -0.41 0.00 -0.06 0.00 0.00 57.16 56.53 1b3c n GLU 20 Cb 0.50 0.19 -0.01 0.00 -0.06 0.00 0.00 31.44 32.06 1b3c n GLU 20 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1b3c n ASN 21 N 0.42 4.60 -0.32 4.31 2.85 -1.26 -4.76 115.26 121.10 1b3c n ASN 21 Ca 0.00 -2.88 0.01 0.00 -0.11 0.00 0.00 54.58 51.59 1b3c n ASN 21 Cb 0.00 -1.74 0.14 0.00 1.24 0.00 0.00 39.78 39.42 1b3c n ASN 21 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1b3c h ASP 22 N 7.77 0.89 -0.08 1.20 5.19 -1.87 -1.19 116.42 128.33 1b3c h ASP 22 Ca 0.43 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.86 1b3c h ASP 22 Cb 0.86 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 1b3c h ASP 22 CO 1.46 0.57 -0.11 0.15 -3.12 0.00 0.00 179.24 178.19 1b3c h PHE 23 N 1.03 -0.33 -0.98 4.55 3.57 -1.98 0.34 116.94 123.14 1b3c h PHE 23 Ca 0.38 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.93 1b3c h PHE 23 Cb 0.15 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1b3c h PHE 23 CO -0.02 -0.10 0.64 0.00 -2.23 0.00 0.00 178.31 176.60 1b3c h ASN 25 N 1.25 -1.59 -0.70 0.00 -0.73 0.09 0.77 115.58 114.66 1b3c h ASN 25 Ca 0.38 0.16 0.15 0.00 1.87 0.00 0.00 56.30 58.86 1b3c h ASN 25 Cb -0.03 0.58 -0.13 0.00 0.27 0.00 0.00 38.32 39.02 1b3c h ASN 25 CO -0.11 -0.57 -0.12 -0.09 -0.37 0.00 0.00 177.43 176.16 1b3c h ARG 26 N -0.78 0.03 -0.20 6.67 2.43 -0.10 0.13 114.38 122.56 1b3c h ARG 26 Ca -0.01 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1b3c h ARG 26 Cb 0.77 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 1b3c h ARG 26 CO -0.27 0.02 -0.10 0.93 -1.51 0.00 0.00 179.97 179.03 1b3c h GLU 27 N 0.03 -0.08 0.00 0.20 3.07 -1.00 0.23 114.58 117.02 1b3c h GLU 27 Ca 0.35 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1b3c h GLU 27 Cb 0.56 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1b3c h GLU 27 CO -0.69 -0.05 0.03 0.00 -1.40 0.00 0.00 179.01 176.89 1b3c n LYS 29 N -2.78 2.26 -2.05 0.00 4.81 0.63 -4.79 118.16 116.24 1b3c n LYS 29 Ca -0.02 -3.58 -0.39 0.00 -0.87 0.00 0.00 58.31 53.45 1b3c n LYS 29 Cb 0.09 -1.81 0.03 0.00 0.02 0.00 0.00 35.03 33.36 1b3c n LYS 29 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 1b3c n TRP 30 N -0.94 3.01 0.00 5.64 -0.00 -0.16 -4.43 117.44 120.55 1b3c n TRP 30 Ca 0.27 -2.43 0.00 0.00 -0.00 0.00 0.00 57.50 55.34 1b3c n TRP 30 Cb 0.80 -1.09 0.00 0.00 -0.00 0.00 0.00 31.31 31.02 1b3c n TRP 30 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1b3c n LYS 31 N -0.48 0.00 -3.51 -2.67 5.02 -1.26 -5.03 118.16 110.22 1b3c n LYS 31 Ca 0.52 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.43 1b3c n LYS 31 Cb 0.27 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.32 1b3c n LYS 31 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1b3c n HIS 32 N 0.00 -2.68 -0.12 2.13 -0.00 -1.26 -4.92 115.22 108.37 1b3c n HIS 32 Ca 0.00 1.12 -0.25 0.00 -0.00 0.00 0.00 57.72 58.60 1b3c n HIS 32 Cb 0.00 -1.88 -0.11 0.00 -0.00 0.00 0.00 29.99 28.00 1b3c n HIS 32 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1b3c n ILE 33 N -0.33 1.54 0.00 3.57 0.13 -1.26 -5.01 119.36 117.99 1b3c n ILE 33 Ca -0.10 -0.41 0.00 0.00 -1.10 0.00 0.00 62.75 61.14 1b3c n ILE 33 Cb 0.68 -1.76 0.00 0.00 -0.84 0.00 0.00 39.64 37.73 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 1.64 0.36 3.88 4.50 0.00 -1.26 -4.67 105.19 109.63 1b3c n GLY 34 Ca -0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 1.77 0.00 -0.02 0.00 -1.21 -4.43 107.32 103.43 1b3c s GLY 35 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1b3c s GLY 35 CO 0.00 0.03 0.32 -1.14 0.00 0.00 0.00 173.10 172.30 1b3c n SER 36 N -1.98 0.63 -3.55 1.64 3.41 -1.03 -4.98 113.62 107.77 1b3c n SER 36 Ca 0.03 -0.98 -0.12 0.00 -0.26 0.00 0.00 58.87 57.55 1b3c n SER 36 Cb 0.54 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1b3c n SER 36 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1b3c s TYR 37 N -0.02 -0.36 -0.30 7.33 5.04 -1.24 -5.05 117.35 122.76 1b3c s TYR 37 Ca 0.00 0.15 -0.15 0.00 -2.44 0.00 0.00 57.07 54.62 1b3c s TYR 37 Cb 0.00 0.38 0.16 0.00 0.35 0.00 0.00 41.96 42.85 1b3c s TYR 37 CO 0.00 -0.74 1.00 0.20 -1.34 0.00 0.00 175.55 174.66 1b3c s GLY 38 N -2.63 -0.10 0.02 8.97 0.00 -1.26 -1.60 107.32 110.72 1b3c s GLY 38 Ca 0.01 3.11 -0.01 0.00 0.00 0.00 0.00 44.72 47.82 1b3c s GLY 38 CO -0.11 3.01 -0.00 -2.52 0.00 0.00 0.00 173.10 173.48 1b3c s TYR 39 N 2.03 0.25 -0.04 1.90 1.13 -0.37 -4.56 117.35 117.69 1b3c s TYR 39 Ca -0.05 -0.53 -0.25 0.00 -1.41 0.00 0.00 57.07 54.84 1b3c s TYR 39 Cb -0.05 -0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 1b3c s TYR 39 CO -0.16 -0.23 0.76 0.00 -2.51 0.00 0.00 175.55 173.41 1b3c s TYR 41 N 0.71 1.27 0.00 0.00 5.04 -0.37 -2.20 117.35 121.80 1b3c s TYR 41 Ca 0.40 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 1b3c s TYR 41 Cb -0.19 -1.21 0.00 0.00 0.35 0.00 0.00 41.96 40.91 1b3c s TYR 41 CO 0.21 -0.69 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 1b3c n GLY 42 N 4.98 0.54 3.96 8.97 0.00 -1.26 -4.16 105.19 118.21 1b3c n GLY 42 Ca -0.08 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.82 -1.62 -3.59 1.61 3.01 -1.26 -4.94 117.46 109.85 1b3c n PHE 43 Ca 0.00 0.59 -0.12 0.00 1.01 0.00 0.00 57.45 58.93 1b3c n PHE 43 Cb 0.38 -3.45 -0.06 0.00 -0.01 0.00 0.00 39.48 36.33 1b3c n PHE 43 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b3c s GLY 44 N -4.10 -0.31 0.01 1.37 0.00 -1.26 -3.70 107.32 99.33 1b3c s GLY 44 Ca 0.15 2.07 -0.26 0.00 0.00 0.00 0.00 44.72 46.69 1b3c s GLY 44 CO 0.91 1.28 0.79 0.00 0.00 0.00 0.00 173.10 176.08 1b3c s TYR 46 N 0.34 1.37 0.18 0.00 5.04 -0.80 -3.26 117.35 120.23 1b3c s TYR 46 Ca 0.41 -0.73 0.06 0.00 -2.44 0.00 0.00 57.07 54.37 1b3c s TYR 46 Cb -0.20 -1.17 -0.04 0.00 0.35 0.00 0.00 41.96 40.90 1b3c s TYR 46 CO 0.23 -0.51 0.11 0.00 -1.34 0.00 0.00 175.55 174.03 1b3c s GLU 48 N -3.20 1.11 0.00 0.00 2.02 -0.63 -0.97 118.70 117.02 1b3c s GLU 48 Ca 0.30 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1b3c s GLU 48 Cb -0.09 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 32.95 1b3c s GLU 48 CO 0.22 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1b3c n GLY 49 N 1.70 0.78 3.69 -1.39 0.00 0.33 -2.48 105.19 107.82 1b3c n GLY 49 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 4.34 1.25 0.99 1.02 -1.14 -3.31 118.68 121.84 1b3c s LEU 50 Ca 0.00 2.32 -0.19 0.00 0.02 0.00 0.00 54.13 56.28 1b3c s LEU 50 Cb 0.00 -3.56 0.30 0.00 0.02 0.00 0.00 46.19 42.95 1b3c s LEU 50 CO 0.00 -0.80 1.03 -2.16 0.02 0.00 0.00 176.35 174.44 1b3c s PRO 51 N 2.41 -1.62 0.53 1.29 0.04 -1.26 -4.32 135.00 132.08 1b3c s PRO 51 Ca 0.69 0.19 0.32 0.00 0.04 0.00 0.00 61.00 62.24 1b3c s PRO 51 Cb -0.36 -1.53 1.22 0.00 0.04 0.00 0.00 34.50 33.87 1b3c s PRO 51 CO 0.30 -4.03 1.93 0.22 0.04 0.00 0.00 177.00 175.46 1b3c h ASP 52 N -2.81 0.00 0.15 6.66 1.82 -1.98 -2.69 116.42 117.56 1b3c h ASP 52 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1b3c h ASP 52 Cb 1.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1b3c h ASP 52 CO 0.37 0.01 0.00 -1.54 -1.61 0.00 0.00 179.24 176.47 1b3c n SER 53 N -3.10 0.00 -4.90 2.28 3.41 -1.26 -4.77 113.62 105.27 1b3c n SER 53 Ca 0.01 -0.63 -0.34 0.00 -0.26 0.00 0.00 58.87 57.65 1b3c n SER 53 Cb 0.34 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1b3c s THR 54 N -2.17 5.42 0.52 6.66 2.01 -1.02 -5.11 115.64 121.95 1b3c s THR 54 Ca 0.36 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1b3c s THR 54 Cb 0.19 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1b3c s THR 54 CO 0.34 0.34 0.74 -1.10 -0.69 0.00 0.00 174.62 174.26 1b3c s GLN 55 N -1.87 2.70 0.13 4.92 -1.52 -1.26 -4.94 119.66 117.82 1b3c s GLN 55 Ca 0.26 -0.69 -0.24 0.00 -1.95 0.00 0.00 55.36 52.74 1b3c s GLN 55 Cb -0.13 -2.51 0.08 0.00 -0.22 0.00 0.00 33.01 30.24 1b3c s GLN 55 CO 0.18 -0.58 1.09 -0.08 -0.25 0.00 0.00 175.29 175.65 1b3c s THR 56 N -2.70 0.00 0.22 -0.19 -1.32 -1.26 -4.87 115.64 105.52 1b3c s THR 56 Ca 0.55 -0.50 -0.06 0.00 -1.21 0.00 0.00 61.69 60.47 1b3c s THR 56 Cb -0.10 -2.69 -0.06 0.00 -1.51 0.00 0.00 72.50 68.14 1b3c s THR 56 CO 0.38 0.00 0.48 0.86 -2.21 0.00 0.00 174.62 174.13 1b3c s TRP 57 N -2.33 3.46 0.92 9.09 -0.00 0.76 -4.19 118.94 126.66 1b3c s TRP 57 Ca 0.21 0.64 -0.15 0.00 -0.00 0.00 0.00 56.10 56.80 1b3c s TRP 57 Cb -0.01 -2.09 0.17 0.00 -0.00 0.00 0.00 33.47 31.54 1b3c s TRP 57 CO 0.03 0.30 1.29 -1.25 -0.00 0.00 0.00 176.95 177.32 1b3c s PRO 58 N -3.07 0.97 0.66 5.86 0.04 -1.26 -3.94 135.00 134.26 1b3c s PRO 58 Ca 0.43 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.17 1b3c s PRO 58 Cb -0.11 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1b3c s PRO 58 CO 0.26 -2.21 0.93 -0.51 0.04 0.00 0.00 177.00 175.51 1b3c s LEU 59 N -5.81 3.03 0.00 -3.56 1.02 -1.26 -5.07 118.68 107.03 1b3c s LEU 59 Ca 0.71 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.91 1b3c s LEU 59 Cb -0.06 -2.68 0.00 0.00 0.02 0.00 0.00 46.19 43.47 1b3c s LEU 59 CO 0.52 -1.54 0.00 -2.65 0.02 0.00 0.00 176.35 172.70 1b3c n PRO 60 N -2.71 0.44 -0.56 1.29 -0.02 -1.26 -4.47 135.00 127.71 1b3c n PRO 60 Ca 0.10 0.00 0.46 0.00 -2.02 0.00 0.00 63.50 62.04 1b3c n PRO 60 Cb 0.60 0.00 0.80 0.00 -0.02 0.00 0.00 33.50 34.88 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1b3c h ASN 61 N -1.24 0.00 -1.25 2.55 2.35 -2.06 -2.95 115.58 112.97 1b3c h ASN 61 Ca 0.00 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.05 1b3c h ASN 61 Cb 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1b3c h ASN 61 CO 0.00 -0.00 1.99 1.17 -1.65 0.00 0.00 177.43 178.94 1b3c n LYS 62 N -4.03 3.25 -2.69 0.81 4.81 -1.26 -4.97 118.16 114.08 1b3c n LYS 62 Ca 0.37 -3.43 -0.22 0.00 -0.87 0.00 0.00 58.31 54.16 1b3c n LYS 62 Cb 1.71 -3.31 0.07 0.00 0.02 0.00 0.00 35.03 33.53 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 3.09 2.35 -2.00 3.15 2.01 -1.12 -4.70 115.64 118.42 1b3c s THR 63 Ca 0.49 -0.70 0.20 0.00 0.31 0.00 0.00 61.69 62.00 1b3c s THR 63 Cb 0.03 -2.65 0.58 0.00 0.01 0.00 0.00 72.50 70.46 1b3c s THR 63 CO 0.04 0.00 1.60 0.00 -0.69 0.00 0.00 174.62 175.56