#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 0.86 0.32 4.39 1.01 -1.26 -0.85 116.67 121.14 1b3c s ASP 2 Ca 0.00 0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1b3c s ASP 2 Cb 0.00 0.19 -0.01 0.00 1.01 0.00 0.00 42.92 44.11 1b3c s ASP 2 CO 0.00 -0.25 0.37 0.61 0.21 0.00 0.00 175.17 176.11 1b3c n GLY 3 N 5.32 2.54 3.40 0.21 0.00 -0.74 -5.00 105.19 110.92 1b3c n GLY 3 Ca -0.04 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 1b3c n GLY 3 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b3c n TYR 4 N -0.56 -1.28 -3.95 1.61 4.02 -0.99 -0.53 117.16 115.48 1b3c n TYR 4 Ca 0.04 -1.99 -0.33 0.00 -0.01 0.00 0.00 57.90 55.60 1b3c n TYR 4 Cb 0.55 -0.43 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 1b3c n TYR 4 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1b3c s LEU 5 N 0.00 4.26 0.00 7.72 1.43 -1.03 0.05 118.68 131.11 1b3c s LEU 5 Ca 0.37 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1b3c s LEU 5 Cb -0.03 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1b3c s LEU 5 CO 0.23 0.26 0.00 1.33 0.23 0.00 0.00 176.35 178.41 1b3c n VAL 6 N 0.98 0.00 -4.03 -1.59 0.24 -1.26 -3.61 118.33 109.06 1b3c n VAL 6 Ca -0.11 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 1b3c n VAL 6 Cb 0.53 -0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 32.08 1b3c n VAL 6 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1b3c s GLU 7 N -0.45 1.79 0.18 7.34 2.02 -1.16 -4.76 118.70 123.65 1b3c s GLU 7 Ca 0.00 -1.54 -0.25 0.00 0.02 0.00 0.00 54.97 53.19 1b3c s GLU 7 Cb 0.00 0.46 0.05 0.00 0.10 0.00 0.00 34.13 34.75 1b3c s GLU 7 CO 0.00 -0.75 1.56 -0.22 0.02 0.00 0.00 175.26 175.87 1b3c h LYS 8 N 2.17 -0.12 0.00 1.61 3.64 -1.99 1.14 116.57 123.02 1b3c h LYS 8 Ca -0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1b3c h LYS 8 Cb 1.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1b3c h LYS 8 CO 0.38 -0.08 0.00 0.25 -2.27 0.00 0.00 179.45 177.73 1b3c n THR 9 N -5.38 0.67 0.00 1.00 -2.24 -1.26 -4.86 114.28 102.21 1b3c n THR 9 Ca 0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1b3c n THR 9 Cb 0.34 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 0.67 0.58 3.72 3.38 0.00 0.39 -4.30 105.19 109.64 1b3c n GLY 10 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.41 -1.00 -3.73 0.00 2.85 -1.26 -2.96 118.16 115.47 1b3c n LYS 12 Ca 0.07 -0.24 -0.30 0.00 -1.05 0.00 0.00 58.31 56.79 1b3c n LYS 12 Cb 0.46 -0.42 -0.14 0.00 -0.65 0.00 0.00 35.03 34.29 1b3c n LYS 12 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1b3c s LYS 13 N -2.42 1.12 0.38 -1.58 2.47 -1.24 -4.77 119.74 113.70 1b3c s LYS 13 Ca 0.11 -1.72 -0.27 0.00 -1.56 0.00 0.00 55.97 52.53 1b3c s LYS 13 Cb -0.02 -2.27 -0.09 0.00 -1.46 0.00 0.00 37.83 33.99 1b3c s LYS 13 CO 0.09 -1.10 1.27 0.99 0.16 0.00 0.00 175.35 176.77 1b3c s THR 14 N 0.76 2.77 0.22 3.43 2.01 -1.26 -1.92 115.64 121.65 1b3c s THR 14 Ca 0.15 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.93 1b3c s THR 14 Cb -0.22 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1b3c s THR 14 CO -0.07 0.12 -0.11 0.00 -0.69 0.00 0.00 174.62 173.87 1b3c n TYR 16 N -0.42 1.56 -3.58 0.00 4.01 -1.26 -4.44 117.16 113.03 1b3c n TYR 16 Ca -0.07 -1.15 -0.29 0.00 -0.16 0.00 0.00 57.90 56.23 1b3c n TYR 16 Cb 0.61 -0.50 -0.15 0.00 -0.31 0.00 0.00 39.34 39.00 1b3c n TYR 16 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1b3c s LYS 17 N -2.98 0.26 0.80 -0.72 1.02 -1.26 -5.13 119.74 111.72 1b3c s LYS 17 Ca 0.48 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 1b3c s LYS 17 Cb 0.39 -1.35 0.07 0.00 -0.52 0.00 0.00 37.83 36.42 1b3c s LYS 17 CO 0.09 -0.97 1.11 -0.51 -0.92 0.00 0.00 175.35 174.14 1b3c s LEU 18 N 2.04 2.57 0.00 3.17 1.43 -1.26 -4.49 118.68 122.13 1b3c s LEU 18 Ca 0.08 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1b3c s LEU 18 Cb -0.16 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1b3c s LEU 18 CO -0.32 -1.93 0.00 0.61 0.23 0.00 0.00 176.35 174.94 1b3c n GLY 19 N -2.36 -1.33 3.44 -3.19 0.00 -1.02 -4.55 105.19 96.18 1b3c n GLY 19 Ca 0.07 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1b3c n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b3c n GLU 20 N -0.14 0.18 -3.15 1.61 -0.58 -1.26 -2.54 120.64 114.77 1b3c n GLU 20 Ca 0.00 -0.53 -0.46 0.00 -0.42 0.00 0.00 57.16 55.76 1b3c n GLU 20 Cb 0.00 -2.29 -0.02 0.00 -0.57 0.00 0.00 31.44 28.56 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1b3c s ASN 21 N 4.67 6.71 0.25 1.62 3.84 -1.26 -4.90 114.94 125.88 1b3c s ASN 21 Ca 0.88 -2.41 -0.10 0.00 0.21 0.00 0.00 52.86 51.44 1b3c s ASN 21 Cb -0.35 -2.30 0.39 0.00 -0.55 0.00 0.00 41.25 38.44 1b3c s ASN 21 CO 0.26 -0.79 1.59 0.44 -2.79 0.00 0.00 177.10 175.80 1b3c h ASP 22 N 8.24 -0.78 -1.23 -4.21 5.19 -1.87 1.59 116.42 123.35 1b3c h ASP 22 Ca 0.13 0.26 0.37 0.00 -0.62 0.00 0.00 57.03 57.17 1b3c h ASP 22 Cb 1.03 0.53 -0.11 0.00 0.18 0.00 0.00 39.33 40.96 1b3c h ASP 22 CO 0.91 -0.28 0.80 0.15 -3.12 0.00 0.00 179.24 177.70 1b3c h PHE 23 N 0.00 0.52 0.06 4.55 3.57 -1.96 1.76 116.94 125.44 1b3c h PHE 23 Ca 0.42 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.70 1b3c h PHE 23 Cb 0.65 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1b3c h PHE 23 CO -0.66 -0.09 -1.12 0.00 -2.23 0.00 0.00 178.31 174.21 1b3c h ASN 25 N 0.04 0.44 0.14 0.00 -0.73 0.37 0.66 115.58 116.51 1b3c h ASN 25 Ca -0.07 -0.30 -0.12 0.00 1.87 0.00 0.00 56.30 57.68 1b3c h ASN 25 Cb 1.86 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 40.32 1b3c h ASN 25 CO 0.17 0.63 -0.42 0.03 -0.37 0.00 0.00 177.43 177.47 1b3c h ARG 26 N 0.24 0.35 -0.01 6.67 3.08 -0.53 0.37 114.38 124.55 1b3c h ARG 26 Ca 0.08 -0.18 -0.22 0.00 0.07 0.00 0.00 59.98 59.73 1b3c h ARG 26 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1b3c h ARG 26 CO 0.01 0.72 -0.90 1.49 -1.07 0.00 0.00 179.97 180.22 1b3c h GLU 27 N 0.29 0.39 0.09 0.04 4.81 -1.15 -3.24 114.58 115.81 1b3c h GLU 27 Ca 0.02 -0.40 -0.26 0.00 -0.13 0.00 0.00 59.36 58.59 1b3c h GLU 27 Cb 0.87 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.36 1b3c h GLU 27 CO 0.07 1.07 -1.15 0.00 -0.73 0.00 0.00 179.01 178.26 1b3c n LYS 29 N -3.62 2.06 0.00 0.00 3.00 0.13 -4.40 118.16 115.33 1b3c n LYS 29 Ca -0.08 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.17 1b3c n LYS 29 Cb 0.96 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1b3c n TRP 30 N 2.60 0.00 -2.51 5.64 5.03 -1.25 -4.93 117.44 122.01 1b3c n TRP 30 Ca 0.44 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.55 1b3c n TRP 30 Cb 0.84 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 31.10 1b3c n TRP 30 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1b3c s LYS 31 N 0.00 4.45 0.32 -0.99 1.02 -1.26 -4.80 119.74 118.48 1b3c s LYS 31 Ca 0.00 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.64 1b3c s LYS 31 Cb 0.00 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1b3c s LYS 31 CO 0.00 -0.24 0.00 1.58 -0.92 0.00 0.00 175.35 175.77 1b3c n HIS 32 N 4.19 -2.22 -0.73 3.18 -0.00 -1.26 -4.89 115.22 113.49 1b3c n HIS 32 Ca 0.09 1.19 0.00 0.00 0.46 0.00 0.00 57.72 59.45 1b3c n HIS 32 Cb 0.48 -2.02 0.00 0.00 -0.12 0.00 0.00 29.99 28.33 1b3c n HIS 32 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1b3c n ILE 33 N -3.49 0.00 0.20 3.57 -0.00 -1.26 -4.79 119.36 113.59 1b3c n ILE 33 Ca -0.04 -0.09 0.18 0.00 -0.00 0.00 0.00 62.75 62.81 1b3c n ILE 33 Cb 0.40 1.73 0.82 0.00 -0.00 0.00 0.00 39.64 42.59 1b3c n ILE 33 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1b3c h GLY 34 N 0.00 0.00 -2.61 7.39 0.00 -1.93 -3.42 103.07 102.50 1b3c h GLY 34 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1b3c h GLY 34 CO 0.00 0.00 0.06 0.61 0.00 0.00 0.00 176.54 177.21 1b3c n GLY 35 N -1.38 -0.46 0.00 4.60 0.00 -1.26 -4.48 105.19 102.21 1b3c n GLY 35 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1b3c n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b3c n SER 36 N -0.74 2.19 -3.84 1.61 3.41 -1.23 -4.92 113.62 110.10 1b3c n SER 36 Ca 0.14 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.51 1b3c n SER 36 Cb 0.48 0.25 -0.17 0.00 -0.26 0.00 0.00 64.21 64.50 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 -1.36 1.02 -0.25 7.33 5.04 -0.37 -5.01 117.35 123.76 1b3c s TYR 37 Ca 0.00 -0.41 -0.01 0.00 -2.44 0.00 0.00 57.07 54.21 1b3c s TYR 37 Cb 0.00 -0.97 0.07 0.00 0.35 0.00 0.00 41.96 41.41 1b3c s TYR 37 CO 0.00 -0.39 0.02 0.20 -1.34 0.00 0.00 175.55 174.04 1b3c s GLY 38 N 1.73 1.07 0.10 8.97 0.00 -1.26 0.14 107.32 118.08 1b3c s GLY 38 Ca 0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 1b3c s GLY 38 CO -0.06 1.27 0.09 -2.52 0.00 0.00 0.00 173.10 171.88 1b3c s TYR 39 N 1.58 0.52 0.21 1.90 1.13 -0.08 -3.96 117.35 118.66 1b3c s TYR 39 Ca 0.01 -0.96 -0.15 0.00 -1.41 0.00 0.00 57.07 54.55 1b3c s TYR 39 Cb -0.18 -0.29 -0.08 0.00 -1.10 0.00 0.00 41.96 40.31 1b3c s TYR 39 CO -0.12 -0.51 0.64 0.00 -2.51 0.00 0.00 175.55 173.05 1b3c s TYR 41 N -1.63 -0.36 0.00 0.00 5.04 -0.67 -2.43 117.35 117.29 1b3c s TYR 41 Ca 0.44 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1b3c s TYR 41 Cb -0.14 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.77 1b3c s TYR 41 CO 0.20 -0.75 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 1b3c n GLY 42 N 5.32 0.95 3.54 8.97 0.00 -1.26 -4.08 105.19 118.64 1b3c n GLY 42 Ca -0.04 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.95 -2.11 -3.56 1.61 3.01 -1.26 -4.95 117.46 108.24 1b3c n PHE 43 Ca 0.00 0.91 -0.16 0.00 1.01 0.00 0.00 57.45 59.20 1b3c n PHE 43 Cb 0.36 -4.82 -0.06 0.00 -0.01 0.00 0.00 39.48 34.94 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 -4.32 -0.55 -0.00 1.37 0.00 -1.26 -2.85 107.32 99.71 1b3c s GLY 44 Ca 0.02 1.62 -0.30 0.00 0.00 0.00 0.00 44.72 46.06 1b3c s GLY 44 CO 0.76 1.26 1.32 0.00 0.00 0.00 0.00 173.10 176.45 1b3c s TYR 46 N 2.12 1.57 -0.08 0.00 5.04 -0.29 -2.48 117.35 123.23 1b3c s TYR 46 Ca 0.61 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 1b3c s TYR 46 Cb -0.30 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 40.82 1b3c s TYR 46 CO 0.26 -0.35 -0.08 0.00 -1.34 0.00 0.00 175.55 174.03 1b3c s GLU 48 N -0.55 1.75 0.00 0.00 2.12 0.38 -1.78 118.70 120.62 1b3c s GLU 48 Ca 0.08 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1b3c s GLU 48 Cb -0.12 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 32.83 1b3c s GLU 48 CO 0.02 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1b3c n GLY 49 N 3.80 1.06 3.69 -1.50 0.00 -0.03 -1.23 105.19 110.98 1b3c n GLY 49 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1b3c n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1b3c s LEU 50 N 0.00 4.12 1.10 0.99 2.34 -1.26 -4.46 118.68 121.52 1b3c s LEU 50 Ca 0.00 0.17 -0.12 0.00 0.06 0.00 0.00 54.13 54.23 1b3c s LEU 50 Cb 0.00 -2.08 0.25 0.00 -0.56 0.00 0.00 46.19 43.80 1b3c s LEU 50 CO 0.00 0.14 1.05 -2.16 -1.06 0.00 0.00 176.35 174.32 1b3c s PRO 51 N 0.63 -0.44 0.54 1.48 0.04 -1.26 -4.66 135.00 131.33 1b3c s PRO 51 Ca 0.07 0.84 0.23 0.00 0.04 0.00 0.00 61.00 62.18 1b3c s PRO 51 Cb -0.12 -1.61 1.43 0.00 0.04 0.00 0.00 34.50 34.24 1b3c s PRO 51 CO 0.01 -3.41 2.10 -0.44 0.04 0.00 0.00 177.00 175.30 1b3c h ASP 52 N -2.39 0.00 -0.96 6.66 3.32 -1.99 -2.05 116.42 119.00 1b3c h ASP 52 Ca -0.58 0.00 0.26 0.00 0.02 0.00 0.00 57.03 56.73 1b3c h ASP 52 Cb 1.33 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.74 1b3c h ASP 52 CO 0.51 0.00 0.50 0.77 -1.72 0.00 0.00 179.24 179.30 1b3c h SER 53 N 0.00 0.46 -3.64 6.45 4.64 -2.04 -3.41 113.55 116.02 1b3c h SER 53 Ca 0.10 0.17 -0.44 0.00 -0.47 0.00 0.00 61.79 61.15 1b3c h SER 53 Cb 0.43 0.12 0.18 0.00 -0.31 0.00 0.00 62.40 62.82 1b3c h SER 53 CO -0.00 -0.03 0.13 -0.89 -0.87 0.00 0.00 176.83 175.17 1b3c s THR 54 N -5.78 1.89 -0.10 2.95 2.01 -0.77 -4.99 115.64 110.84 1b3c s THR 54 Ca -0.11 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.71 1b3c s THR 54 Cb 0.28 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1b3c s THR 54 CO 0.79 0.00 0.49 -1.58 -0.69 0.00 0.00 174.62 173.62 1b3c s GLN 55 N -4.97 4.32 -0.10 4.92 2.00 -1.26 -5.01 119.66 119.56 1b3c s GLN 55 Ca 0.67 0.48 -0.24 0.00 -2.00 0.00 0.00 55.36 54.27 1b3c s GLN 55 Cb -0.18 -3.42 0.05 0.00 0.80 0.00 0.00 33.01 30.27 1b3c s GLN 55 CO 0.59 0.19 0.56 0.95 -0.50 0.00 0.00 175.29 177.08 1b3c s THR 56 N 0.49 0.01 0.55 -0.34 -4.23 -1.26 -4.77 115.64 106.10 1b3c s THR 56 Ca 0.26 -0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1b3c s THR 56 Cb -0.15 -0.85 -0.06 0.00 1.34 0.00 0.00 72.50 72.77 1b3c s THR 56 CO 0.11 -0.06 1.01 0.86 -0.54 0.00 0.00 174.62 176.00 1b3c s TRP 57 N -0.72 3.40 0.25 3.99 -0.00 0.11 -3.80 118.94 122.16 1b3c s TRP 57 Ca -0.08 1.44 -0.30 0.00 -0.00 0.00 0.00 56.10 57.17 1b3c s TRP 57 Cb -0.03 -2.82 -0.09 0.00 -0.00 0.00 0.00 33.47 30.54 1b3c s TRP 57 CO 0.06 -0.56 1.15 -1.25 -0.00 0.00 0.00 176.95 176.34 1b3c s PRO 58 N -4.29 4.57 1.26 5.86 0.04 -1.26 -2.36 135.00 138.82 1b3c s PRO 58 Ca 0.59 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.29 1b3c s PRO 58 Cb -0.11 -3.20 0.31 0.00 0.04 0.00 0.00 34.50 31.53 1b3c s PRO 58 CO 0.37 0.08 0.69 1.47 0.04 0.00 0.00 177.00 179.65 1b3c n LEU 59 N 1.65 0.00 0.00 -3.56 -0.00 -1.25 -4.92 117.00 108.92 1b3c n LEU 59 Ca 0.01 -0.70 -0.08 0.00 -0.00 0.00 0.00 56.01 55.23 1b3c n LEU 59 Cb 0.45 -0.87 0.08 0.00 -0.00 0.00 0.00 43.42 43.07 1b3c n LEU 59 CO 0.55 -2.66 0.09 -2.65 -0.00 0.00 0.00 177.39 172.72 1b3c n PRO 60 N -4.31 0.10 -0.13 1.47 -0.02 -1.26 -4.62 135.00 126.24 1b3c n PRO 60 Ca 0.11 -0.40 0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1b3c n PRO 60 Cb 0.48 -1.23 0.67 0.00 -0.02 0.00 0.00 33.50 33.40 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 -2.44 0.00 -2.73 2.55 2.35 -2.04 -3.36 115.58 109.90 1b3c h ASN 61 Ca -0.11 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.09 1b3c h ASN 61 Cb 0.36 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 1b3c h ASN 61 CO 0.06 0.00 1.20 -0.54 -1.65 0.00 0.00 177.43 176.51 1b3c s LYS 62 N -4.66 3.26 0.00 0.81 1.02 -1.26 -4.98 119.74 113.93 1b3c s LYS 62 Ca -0.04 0.97 0.00 0.00 0.02 0.00 0.00 55.97 56.92 1b3c s LYS 62 Cb 0.17 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 1b3c s LYS 62 CO 0.60 -1.96 0.00 -2.37 -0.92 0.00 0.00 175.35 170.71 1b3c n THR 63 N 7.19 0.00 1.80 2.17 5.66 -1.26 -4.75 114.28 125.08 1b3c n THR 63 Ca 0.19 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.33 1b3c n THR 63 Cb 0.49 0.00 0.85 0.00 -1.55 0.00 0.00 70.33 70.12 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02