#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 6.36 0.07 3.14 1.01 -1.26 -0.12 116.67 125.87 1b3c s ASP 2 Ca 0.00 0.41 -0.03 0.00 0.71 0.00 0.00 52.55 53.64 1b3c s ASP 2 Cb 0.00 -2.01 0.01 0.00 1.01 0.00 0.00 42.92 41.93 1b3c s ASP 2 CO 0.00 -0.14 0.16 0.61 0.21 0.00 0.00 175.17 176.01 1b3c n GLY 3 N -1.13 1.70 3.46 0.21 0.00 -0.84 -4.93 105.19 103.66 1b3c n GLY 3 Ca -0.05 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 -7.33 2.52 0.69 1.61 2.02 -1.19 -1.20 117.35 114.48 1b3c s TYR 4 Ca 0.03 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1b3c s TYR 4 Cb -0.01 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 1b3c s TYR 4 CO 0.02 0.29 1.06 -0.51 -1.57 0.00 0.00 175.55 174.85 1b3c s LEU 5 N -1.69 3.05 0.00 -1.29 1.43 -0.96 0.18 118.68 119.41 1b3c s LEU 5 Ca 0.15 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1b3c s LEU 5 Cb -0.10 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.78 1b3c s LEU 5 CO 0.07 -1.37 0.00 1.33 0.23 0.00 0.00 176.35 176.61 1b3c n VAL 6 N -3.07 0.00 -4.27 -1.59 0.24 -1.26 -3.85 118.33 104.53 1b3c n VAL 6 Ca 0.07 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.14 1b3c n VAL 6 Cb 0.54 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.85 1b3c n VAL 6 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1b3c s GLU 7 N -0.87 2.37 0.56 7.34 2.12 -0.08 -4.57 118.70 125.57 1b3c s GLU 7 Ca 0.00 -1.37 0.36 0.00 0.36 0.00 0.00 54.97 54.33 1b3c s GLU 7 Cb 0.00 -2.21 1.51 0.00 0.26 0.00 0.00 34.13 33.68 1b3c s GLU 7 CO 0.00 0.37 1.75 -0.22 -0.54 0.00 0.00 175.26 176.62 1b3c h LYS 8 N 1.86 0.00 -0.02 4.30 3.11 -1.96 1.66 116.57 125.52 1b3c h LYS 8 Ca -0.45 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1b3c h LYS 8 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1b3c h LYS 8 CO 0.60 0.00 -0.22 0.25 -2.81 0.00 0.00 179.45 177.27 1b3c n THR 9 N -4.01 0.00 0.00 1.00 -2.24 -1.26 -4.92 114.28 102.86 1b3c n THR 9 Ca 0.25 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1b3c n THR 9 Cb 1.27 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.49 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 1.34 0.78 0.00 3.38 0.00 0.57 -4.58 105.19 106.68 1b3c n GLY 10 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1b3c n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b3c s LYS 12 N -1.63 2.53 -0.45 0.00 0.00 -1.26 -0.90 119.74 118.02 1b3c s LYS 12 Ca 0.00 -1.55 0.09 0.00 0.00 0.00 0.00 55.97 54.51 1b3c s LYS 12 Cb 0.00 -2.41 0.38 0.00 0.00 0.00 0.00 37.83 35.79 1b3c s LYS 12 CO 0.00 -0.29 0.91 1.17 0.00 0.00 0.00 175.35 177.15 1b3c n LYS 13 N -1.65 2.28 -1.49 1.78 0.00 -1.25 -4.45 118.16 113.38 1b3c n LYS 13 Ca 0.04 -4.11 -0.37 0.00 0.00 0.00 0.00 58.31 53.88 1b3c n LYS 13 Cb 0.62 -1.93 0.07 0.00 0.00 0.00 0.00 35.03 33.79 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 -0.11 3.32 -4.10 3.15 -1.04 -1.26 -3.69 114.28 110.56 1b3c n THR 14 Ca 0.27 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.05 61.70 1b3c n THR 14 Cb 0.59 -1.12 -0.12 0.00 -1.82 0.00 0.00 70.33 67.85 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 1.91 0.00 -2.47 0.00 4.02 -1.26 -4.02 117.16 115.34 1b3c n TYR 16 Ca -0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.30 1b3c n TYR 16 Cb 0.56 -0.70 -0.01 0.00 -0.02 0.00 0.00 39.34 39.16 1b3c n TYR 16 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1b3c s LYS 17 N -3.05 3.65 0.61 -0.72 1.02 -1.26 -4.97 119.74 115.03 1b3c s LYS 17 Ca -0.09 -1.79 -0.18 0.00 0.02 0.00 0.00 55.97 53.93 1b3c s LYS 17 Cb 0.10 -5.47 -0.02 0.00 -0.52 0.00 0.00 37.83 31.92 1b3c s LYS 17 CO 0.86 -2.63 1.21 -0.51 -0.92 0.00 0.00 175.35 173.35 1b3c s LEU 18 N 5.73 3.61 0.00 3.17 1.43 -1.26 -4.40 118.68 126.96 1b3c s LEU 18 Ca 0.57 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 1b3c s LEU 18 Cb 0.03 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1b3c s LEU 18 CO 0.09 -1.69 0.00 0.61 0.23 0.00 0.00 176.35 175.58 1b3c n GLY 19 N 0.47 -0.87 3.46 -3.19 0.00 -1.19 -4.75 105.19 99.11 1b3c n GLY 19 Ca 0.14 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 0.18 -2.82 1.61 2.13 -1.26 -3.30 120.64 117.18 1b3c n GLU 20 Ca 0.00 -1.13 -0.44 0.00 0.66 0.00 0.00 57.16 56.26 1b3c n GLU 20 Cb 0.00 -2.60 -0.00 0.00 0.27 0.00 0.00 31.44 29.11 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1b3c s ASN 21 N 6.81 6.94 0.46 4.31 3.84 -1.26 -4.82 114.94 131.22 1b3c s ASN 21 Ca 0.68 -2.69 0.25 0.00 0.21 0.00 0.00 52.86 51.30 1b3c s ASN 21 Cb 0.14 -2.46 1.27 0.00 -0.55 0.00 0.00 41.25 39.65 1b3c s ASN 21 CO 0.32 -0.93 1.81 0.44 -2.79 0.00 0.00 177.10 175.95 1b3c h ASP 22 N 7.53 0.26 -0.78 -4.21 3.32 -1.86 -2.04 116.42 118.64 1b3c h ASP 22 Ca 0.34 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.52 1b3c h ASP 22 Cb 0.89 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.32 1b3c h ASP 22 CO 1.30 0.06 -0.51 0.15 -1.72 0.00 0.00 179.24 178.53 1b3c h PHE 23 N 0.24 -1.56 0.26 4.55 3.04 -1.93 0.69 116.94 122.23 1b3c h PHE 23 Ca 0.54 0.10 -0.00 0.00 3.98 0.00 0.00 57.97 62.59 1b3c h PHE 23 Cb 1.65 0.79 -0.01 0.00 2.56 0.00 0.00 35.95 40.94 1b3c h PHE 23 CO -0.00 -0.41 -0.21 0.00 -2.02 0.00 0.00 178.31 175.67 1b3c h ASN 25 N -0.47 0.64 0.17 0.00 -1.24 -1.01 0.53 115.58 114.20 1b3c h ASN 25 Ca -0.01 0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1b3c h ASN 25 Cb 0.42 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 1b3c h ASN 25 CO -0.02 0.12 -0.13 -0.09 -1.29 0.00 0.00 177.43 176.02 1b3c h ARG 26 N 0.56 -0.30 -0.14 6.67 1.12 0.12 -1.73 114.38 120.68 1b3c h ARG 26 Ca 0.63 0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 59.44 1b3c h ARG 26 Cb 1.25 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.28 1b3c h ARG 26 CO -0.42 -0.20 -0.23 0.93 -3.11 0.00 0.00 179.97 176.94 1b3c h GLU 27 N -0.31 0.40 -1.03 0.20 5.08 -0.75 0.19 114.58 118.36 1b3c h GLU 27 Ca -0.01 -0.25 0.27 0.00 -1.00 0.00 0.00 59.36 58.37 1b3c h GLU 27 Cb 0.28 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1b3c h GLU 27 CO -0.01 0.83 0.64 0.00 -1.00 0.00 0.00 179.01 179.48 1b3c n LYS 29 N -4.76 2.68 -0.27 0.00 4.81 -0.66 -4.69 118.16 115.27 1b3c n LYS 29 Ca 0.27 -1.99 -0.03 0.00 -0.87 0.00 0.00 58.31 55.69 1b3c n LYS 29 Cb 0.84 -1.27 0.03 0.00 0.02 0.00 0.00 35.03 34.65 1b3c n LYS 29 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1b3c h TRP 30 N 2.09 -0.95 -3.36 5.64 -0.00 0.17 -3.39 115.95 116.15 1b3c h TRP 30 Ca 0.00 0.08 -0.53 0.00 -0.00 0.00 0.00 58.89 58.45 1b3c h TRP 30 Cb 0.72 0.53 -0.02 0.00 -0.00 0.00 0.00 29.16 30.38 1b3c h TRP 30 CO 0.22 -0.39 -0.11 0.15 -0.00 0.00 0.00 178.44 178.31 1b3c s LYS 31 N -6.00 3.72 -0.70 2.65 -0.14 -1.26 -4.95 119.74 113.07 1b3c s LYS 31 Ca -0.14 0.17 -0.25 0.00 -1.36 0.00 0.00 55.97 54.38 1b3c s LYS 31 Cb 0.18 -2.62 -0.13 0.00 -1.68 0.00 0.00 37.83 33.58 1b3c s LYS 31 CO 0.70 0.24 2.42 1.58 -0.76 0.00 0.00 175.35 179.53 1b3c n HIS 32 N -0.60 1.19 -0.01 3.18 -0.00 -1.26 -4.56 115.22 113.15 1b3c n HIS 32 Ca -0.00 0.04 -0.01 0.00 0.46 0.00 0.00 57.72 58.20 1b3c n HIS 32 Cb 0.53 -2.53 -0.02 0.00 -0.12 0.00 0.00 29.99 27.86 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 8.34 0.18 -0.33 3.57 5.41 -1.26 -5.04 119.36 130.23 1b3c n ILE 33 Ca 0.45 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 64.09 1b3c n ILE 33 Cb 0.45 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b3c n GLY 34 N 2.87 1.03 3.67 7.39 0.00 -1.26 -4.73 105.19 114.15 1b3c n GLY 34 Ca -0.04 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.13 2.05 0.04 -0.02 0.00 -1.26 -4.78 107.32 101.22 1b3c s GLY 35 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1b3c s GLY 35 CO 0.00 1.63 1.34 1.48 0.00 0.00 0.00 173.10 177.54 1b3c h SER 36 N 7.40 0.36 -3.50 1.64 4.64 -1.86 -3.48 113.55 118.75 1b3c h SER 36 Ca -0.29 -0.49 0.10 0.00 -0.47 0.00 0.00 61.79 60.64 1b3c h SER 36 Cb 1.13 -0.10 -0.26 0.00 -0.31 0.00 0.00 62.40 62.86 1b3c h SER 36 CO 0.83 0.77 0.57 -0.47 -0.87 0.00 0.00 176.83 177.67 1b3c s TYR 37 N -4.28 -0.35 -0.07 4.77 6.14 -1.26 -5.04 117.35 117.26 1b3c s TYR 37 Ca -0.14 0.74 -0.08 0.00 0.64 0.00 0.00 57.07 58.23 1b3c s TYR 37 Cb 0.05 0.42 0.02 0.00 0.42 0.00 0.00 41.96 42.87 1b3c s TYR 37 CO 0.75 -0.25 0.22 0.20 0.64 0.00 0.00 175.55 177.11 1b3c s GLY 38 N -0.48 -0.14 0.27 8.97 0.00 -1.26 -1.80 107.32 112.88 1b3c s GLY 38 Ca 0.02 0.51 0.04 0.00 0.00 0.00 0.00 44.72 45.29 1b3c s GLY 38 CO -0.04 0.41 0.28 1.58 0.00 0.00 0.00 173.10 175.33 1b3c n TYR 39 N 2.66 -0.82 -2.78 1.90 0.18 -0.24 -3.37 117.16 114.69 1b3c n TYR 39 Ca -0.14 -2.15 -0.42 0.00 1.88 0.00 0.00 57.90 57.06 1b3c n TYR 39 Cb 0.58 0.30 -0.04 0.00 -0.38 0.00 0.00 39.34 39.80 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 4.46 2.95 -0.64 0.00 5.04 -0.26 -3.15 117.35 125.76 1b3c s TYR 41 Ca 0.27 -1.66 -0.02 0.00 -2.44 0.00 0.00 57.07 53.22 1b3c s TYR 41 Cb -0.14 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.20 1b3c s TYR 41 CO 0.13 -0.77 0.32 0.41 -1.34 0.00 0.00 175.55 174.30 1b3c n GLY 42 N 4.62 0.21 3.32 8.97 0.00 -1.26 -3.56 105.19 117.48 1b3c n GLY 42 Ca -0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.72 -2.39 0.00 1.61 3.01 -1.26 -4.96 117.46 109.75 1b3c n PHE 43 Ca -0.04 0.80 0.00 0.00 1.01 0.00 0.00 57.45 59.22 1b3c n PHE 43 Cb 0.55 -4.02 0.00 0.00 -0.01 0.00 0.00 39.48 36.00 1b3c n PHE 43 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b3c n GLY 44 N -1.31 1.24 3.56 1.37 0.00 -1.23 -3.59 105.19 105.23 1b3c n GLY 44 Ca -0.07 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 8.46 3.48 0.32 0.00 5.04 0.11 -2.25 117.35 132.50 1b3c s TYR 46 Ca 0.70 0.63 0.09 0.00 -2.44 0.00 0.00 57.07 56.05 1b3c s TYR 46 Cb -0.15 -2.34 -0.05 0.00 0.35 0.00 0.00 41.96 39.77 1b3c s TYR 46 CO 0.24 0.26 -0.00 0.00 -1.34 0.00 0.00 175.55 174.71 1b3c s GLU 48 N -3.70 1.47 0.00 0.00 2.02 -0.75 -1.99 118.70 115.76 1b3c s GLU 48 Ca 0.34 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1b3c s GLU 48 Cb -0.02 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.67 1b3c s GLU 48 CO 0.19 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1b3c n GLY 49 N 4.92 1.27 3.61 -1.39 0.00 -0.27 -2.96 105.19 110.36 1b3c n GLY 49 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 3.57 1.08 0.99 1.43 0.84 -4.75 118.68 121.83 1b3c s LEU 50 Ca 0.00 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1b3c s LEU 50 Cb 0.00 -3.51 0.24 0.00 0.03 0.00 0.00 46.19 42.94 1b3c s LEU 50 CO 0.00 -1.85 1.06 -2.84 0.23 0.00 0.00 176.35 172.96 1b3c s PRO 51 N 6.11 -0.25 0.29 1.29 0.02 -1.26 -4.63 135.00 136.57 1b3c s PRO 51 Ca 0.99 1.03 0.25 0.00 0.02 0.00 0.00 61.00 63.28 1b3c s PRO 51 Cb -0.34 -1.62 1.01 0.00 0.02 0.00 0.00 34.50 33.58 1b3c s PRO 51 CO 0.36 -3.33 1.75 0.22 -0.33 0.00 0.00 177.00 175.67 1b3c h ASP 52 N -2.35 0.00 1.36 2.53 1.82 -1.98 -2.60 116.42 115.19 1b3c h ASP 52 Ca -0.56 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1b3c h ASP 52 Cb 1.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1b3c h ASP 52 CO 0.48 0.00 -0.24 0.28 -1.61 0.00 0.00 179.24 178.16 1b3c h SER 53 N 0.00 0.00 -3.40 2.28 0.02 -2.00 -3.45 113.55 107.00 1b3c h SER 53 Ca 0.00 -0.06 -0.55 0.00 -0.84 0.00 0.00 61.79 60.34 1b3c h SER 53 Cb 0.42 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1b3c h SER 53 CO 0.00 0.03 0.11 -0.89 -1.14 0.00 0.00 176.83 174.94 1b3c s THR 54 N -3.15 4.70 0.03 -2.27 2.01 -0.98 -5.05 115.64 110.92 1b3c s THR 54 Ca 0.08 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.46 1b3c s THR 54 Cb 0.11 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 1b3c s THR 54 CO 0.65 0.43 0.43 -1.58 -0.69 0.00 0.00 174.62 173.87 1b3c s GLN 55 N -0.40 3.93 0.24 4.92 2.00 -1.26 -4.88 119.66 124.20 1b3c s GLN 55 Ca 0.35 0.42 -0.02 0.00 -2.00 0.00 0.00 55.36 54.11 1b3c s GLN 55 Cb -0.20 -3.16 0.01 0.00 0.80 0.00 0.00 33.01 30.45 1b3c s GLN 55 CO 0.22 0.65 0.35 0.25 -0.50 0.00 0.00 175.29 176.26 1b3c n THR 56 N 1.58 0.00 -3.47 -0.34 -2.24 -1.26 -4.73 114.28 103.83 1b3c n THR 56 Ca -0.12 -1.14 -0.26 0.00 -2.27 0.00 0.00 64.05 60.26 1b3c n THR 56 Cb 0.52 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1b3c n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1b3c s TRP 57 N -3.70 3.49 0.82 4.78 -0.00 0.48 -4.13 118.94 120.68 1b3c s TRP 57 Ca 0.19 0.44 -0.12 0.00 -0.00 0.00 0.00 56.10 56.61 1b3c s TRP 57 Cb -0.01 -1.95 0.08 0.00 -0.00 0.00 0.00 33.47 31.60 1b3c s TRP 57 CO 0.13 0.22 1.11 -1.25 -0.00 0.00 0.00 176.95 177.17 1b3c s PRO 58 N -3.77 1.89 0.65 5.86 0.04 -1.26 -3.15 135.00 135.27 1b3c s PRO 58 Ca 0.41 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 1b3c s PRO 58 Cb -0.10 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1b3c s PRO 58 CO 0.32 -1.72 0.91 -0.48 0.04 0.00 0.00 177.00 176.07 1b3c s LEU 59 N -5.79 3.07 0.00 -3.56 2.34 -1.26 -5.08 118.68 108.41 1b3c s LEU 59 Ca 0.61 -0.13 -0.07 0.00 0.06 0.00 0.00 54.13 54.61 1b3c s LEU 59 Cb -0.14 -2.46 0.10 0.00 -0.56 0.00 0.00 46.19 43.13 1b3c s LEU 59 CO 0.53 -1.56 0.23 -2.65 -1.06 0.00 0.00 176.35 171.85 1b3c n PRO 60 N -2.66 -1.42 -0.13 1.48 -0.02 -1.26 -4.70 135.00 126.30 1b3c n PRO 60 Ca 0.11 -0.39 0.28 0.00 -2.02 0.00 0.00 63.50 61.48 1b3c n PRO 60 Cb 0.60 -0.65 0.72 0.00 -0.02 0.00 0.00 33.50 34.15 1b3c n PRO 60 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1b3c h ASN 61 N -2.24 0.00 -4.14 2.55 -0.00 -2.06 -3.40 115.58 106.28 1b3c h ASN 61 Ca -0.11 0.00 -0.54 0.00 -0.00 0.00 0.00 56.30 55.65 1b3c h ASN 61 Cb 0.36 0.00 0.14 0.00 -0.00 0.00 0.00 38.32 38.82 1b3c h ASN 61 CO 0.06 0.00 0.45 -0.75 -0.00 0.00 0.00 177.43 177.19 1b3c s LYS 62 N -4.84 2.49 0.29 6.67 2.47 -1.26 -5.02 119.74 120.54 1b3c s LYS 62 Ca -0.05 1.86 0.09 0.00 -1.56 0.00 0.00 55.97 56.32 1b3c s LYS 62 Cb 0.20 -1.86 -0.04 0.00 -1.46 0.00 0.00 37.83 34.66 1b3c s LYS 62 CO 0.70 -1.59 0.02 0.99 0.16 0.00 0.00 175.35 175.63 1b3c s THR 63 N -1.72 3.20 -2.00 3.43 2.01 -1.26 -4.77 115.64 114.53 1b3c s THR 63 Ca 0.77 -1.90 0.01 0.00 0.31 0.00 0.00 61.69 60.88 1b3c s THR 63 Cb -0.32 -2.84 0.04 0.00 0.01 0.00 0.00 72.50 69.39 1b3c s THR 63 CO 0.40 -0.31 0.57 0.00 -0.69 0.00 0.00 174.62 174.59