#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 0.23 0.26 -5.58 1.01 -1.26 -1.47 116.67 109.85 1b3c s ASP 2 Ca 0.00 -0.63 -0.17 0.00 0.71 0.00 0.00 52.55 52.46 1b3c s ASP 2 Cb 0.00 0.24 0.06 0.00 1.01 0.00 0.00 42.92 44.23 1b3c s ASP 2 CO 0.00 -0.55 0.84 0.61 0.21 0.00 0.00 175.17 176.28 1b3c n GLY 3 N 0.55 0.85 3.82 0.21 0.00 -1.03 -5.01 105.19 104.57 1b3c n GLY 3 Ca -0.18 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.60 2.49 0.05 1.61 2.02 -1.26 -1.83 117.35 117.83 1b3c s TYR 4 Ca 0.18 -0.59 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1b3c s TYR 4 Cb -0.03 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1b3c s TYR 4 CO 0.08 -0.04 0.15 -0.51 -1.57 0.00 0.00 175.55 173.66 1b3c s LEU 5 N -4.05 4.13 0.00 -1.29 1.43 0.14 -1.73 118.68 117.31 1b3c s LEU 5 Ca 0.42 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1b3c s LEU 5 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1b3c s LEU 5 CO 0.24 0.19 0.00 1.33 0.23 0.00 0.00 176.35 178.34 1b3c n VAL 6 N 0.50 0.00 -3.97 -1.59 0.24 -1.26 -4.01 118.33 108.24 1b3c n VAL 6 Ca -0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.13 1b3c n VAL 6 Cb 0.52 -0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.00 1.17 0.54 7.34 0.41 -1.20 -4.73 118.70 121.23 1b3c s GLU 7 Ca 0.00 -1.19 0.39 0.00 -0.41 0.00 0.00 54.97 53.76 1b3c s GLU 7 Cb 0.00 0.38 1.58 0.00 -1.78 0.00 0.00 34.13 34.31 1b3c s GLU 7 CO 0.00 -0.43 1.74 -0.22 -0.49 0.00 0.00 175.26 175.86 1b3c h LYS 8 N 2.54 0.01 0.00 1.61 3.64 -1.99 1.89 116.57 124.27 1b3c h LYS 8 Ca -0.32 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1b3c h LYS 8 Cb 1.23 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1b3c h LYS 8 CO 0.48 0.01 -0.78 1.79 -2.27 0.00 0.00 179.45 178.68 1b3c h THR 9 N 0.02 0.43 0.00 1.00 1.35 -1.99 -3.47 112.91 110.24 1b3c h THR 9 Ca 0.67 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1b3c h THR 9 Cb 2.63 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 71.11 1b3c h THR 9 CO -0.03 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1b3c n GLY 10 N 1.24 1.55 3.74 5.82 0.00 0.64 -4.21 105.19 113.97 1b3c n GLY 10 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 2.42 -0.80 -2.94 0.00 2.85 -1.26 -3.25 118.16 115.19 1b3c n LYS 12 Ca 0.02 -0.35 -0.32 0.00 -1.05 0.00 0.00 58.31 56.60 1b3c n LYS 12 Cb 0.48 -0.68 -0.03 0.00 -0.65 0.00 0.00 35.03 34.15 1b3c n LYS 12 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1b3c n LYS 13 N -1.32 3.86 -1.37 -1.58 4.81 -1.26 -4.76 118.16 116.54 1b3c n LYS 13 Ca 0.03 -4.75 -0.51 0.00 -0.87 0.00 0.00 58.31 52.21 1b3c n LYS 13 Cb 0.15 -2.33 -0.05 0.00 0.02 0.00 0.00 35.03 32.81 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1b3c n THR 14 N 0.13 0.89 -4.34 3.15 -1.04 -1.26 -3.66 114.28 108.15 1b3c n THR 14 Ca 0.35 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.05 61.98 1b3c n THR 14 Cb 0.35 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.59 0.00 -2.58 0.00 4.01 -1.26 -4.73 117.16 112.01 1b3c n TYR 16 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 1b3c n TYR 16 Cb 0.34 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 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 -2.17 3.75 0.22 -0.72 1.02 -1.26 -4.96 119.74 115.61 1b3c s LYS 17 Ca -0.12 -1.49 -0.32 0.00 0.02 0.00 0.00 55.97 54.07 1b3c s LYS 17 Cb 0.03 -5.41 -0.14 0.00 -0.52 0.00 0.00 37.83 31.79 1b3c s LYS 17 CO 0.19 -2.21 1.31 1.28 -0.92 0.00 0.00 175.35 175.00 1b3c n LEU 18 N 8.60 2.49 -1.34 3.17 4.77 -1.26 -4.32 117.00 129.11 1b3c n LEU 18 Ca 0.39 1.14 0.16 0.00 -0.03 0.00 0.00 56.01 57.67 1b3c n LEU 18 Cb 0.49 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 1b3c n LEU 18 CO 0.70 -0.81 -0.40 0.61 -1.33 0.00 0.00 177.39 176.15 1b3c n GLY 19 N 2.07 -2.30 4.35 -0.72 0.00 -0.07 -4.73 105.19 103.79 1b3c n GLY 19 Ca 0.13 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.03 -0.89 -3.47 1.61 2.13 -1.26 -4.53 120.64 110.21 1b3c n GLU 20 Ca -0.03 0.10 -0.39 0.00 0.66 0.00 0.00 57.16 57.50 1b3c n GLU 20 Cb 0.66 -3.80 -0.04 0.00 0.27 0.00 0.00 31.44 28.53 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 -2.74 4.81 -0.36 4.31 2.85 -1.26 -4.92 115.26 117.95 1b3c n ASN 21 Ca -0.22 -3.16 0.01 0.00 -0.11 0.00 0.00 54.58 51.10 1b3c n ASN 21 Cb 0.63 -1.14 0.08 0.00 1.24 0.00 0.00 39.78 40.58 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 5.98 -1.23 -0.96 1.20 3.58 -1.94 0.82 116.42 123.87 1b3c h ASP 22 Ca 0.17 0.30 0.31 0.00 0.42 0.00 0.00 57.03 58.24 1b3c h ASP 22 Cb 0.79 0.70 -0.16 0.00 1.72 0.00 0.00 39.33 42.38 1b3c h ASP 22 CO 0.96 -0.30 0.35 0.15 -2.88 0.00 0.00 179.24 177.52 1b3c h PHE 23 N -0.01 0.53 0.51 0.28 3.57 -1.99 0.44 116.94 120.27 1b3c h PHE 23 Ca 0.39 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1b3c h PHE 23 Cb 0.64 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1b3c h PHE 23 CO -0.82 -0.32 -0.24 0.00 -2.23 0.00 0.00 178.31 174.70 1b3c h ASN 25 N -1.09 -0.32 -0.87 0.00 4.21 -0.62 1.07 115.58 117.96 1b3c h ASN 25 Ca -0.07 0.15 0.17 0.00 1.21 0.00 0.00 56.30 57.76 1b3c h ASN 25 Cb 0.59 0.27 -0.10 0.00 -1.12 0.00 0.00 38.32 37.96 1b3c h ASN 25 CO 0.11 -0.12 0.43 -0.09 -1.29 0.00 0.00 177.43 176.47 1b3c h ARG 26 N 0.08 0.54 0.05 0.81 9.65 -0.22 -1.81 114.38 123.48 1b3c h ARG 26 Ca 0.28 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 59.04 1b3c h ARG 26 Cb 0.45 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1b3c h ARG 26 CO -0.51 0.36 -0.38 0.93 2.80 0.00 0.00 179.97 183.17 1b3c h GLU 27 N 0.56 0.18 -0.31 0.20 4.39 -0.17 -3.35 114.58 116.08 1b3c h GLU 27 Ca 0.50 -0.25 0.03 0.00 0.34 0.00 0.00 59.36 59.97 1b3c h GLU 27 Cb 0.80 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1b3c h GLU 27 CO -0.42 1.06 -0.18 0.00 -1.16 0.00 0.00 179.01 178.31 1b3c n LYS 29 N -3.67 3.70 -0.17 0.00 2.85 -0.91 -4.75 118.16 115.21 1b3c n LYS 29 Ca 0.01 -2.27 0.08 0.00 -1.05 0.00 0.00 58.31 55.08 1b3c n LYS 29 Cb 0.08 -2.73 0.16 0.00 -0.65 0.00 0.00 35.03 31.89 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1b3c n TRP 30 N 3.29 0.33 0.12 5.58 8.01 0.21 -4.24 117.44 130.75 1b3c n TRP 30 Ca 0.75 0.59 0.00 0.00 -1.31 0.00 0.00 57.50 57.53 1b3c n TRP 30 Cb 0.27 -0.88 0.00 0.00 -2.01 0.00 0.00 31.31 28.69 1b3c n TRP 30 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1b3c n LYS 31 N -4.53 0.00 -3.44 -0.99 5.02 -1.26 -4.97 118.16 108.00 1b3c n LYS 31 Ca 0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 1b3c n LYS 31 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.30 1b3c n LYS 31 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1b3c s HIS 32 N -1.71 -0.36 0.00 2.13 3.76 -1.26 -4.98 115.29 112.88 1b3c s HIS 32 Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1b3c s HIS 32 Cb 0.00 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.24 1b3c s HIS 32 CO 0.00 -0.81 0.00 -0.89 -0.85 0.00 0.00 174.74 172.19 1b3c n ILE 33 N 5.31 0.00 -0.54 0.60 2.08 -1.26 -5.06 119.36 120.48 1b3c n ILE 33 Ca -0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1b3c n ILE 33 Cb 0.47 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1b3c n GLY 34 N 2.41 0.59 3.84 7.39 0.00 -1.26 -4.59 105.19 113.57 1b3c n GLY 34 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.67 2.45 -0.18 -0.02 0.00 -1.26 -4.65 107.32 101.99 1b3c s GLY 35 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.80 1b3c s GLY 35 CO 0.00 0.31 -0.14 -1.14 0.00 0.00 0.00 173.10 172.13 1b3c n SER 36 N 0.18 2.38 -3.41 1.64 3.41 -0.83 -4.90 113.62 112.10 1b3c n SER 36 Ca 0.00 -0.09 -0.23 0.00 -0.26 0.00 0.00 58.87 58.30 1b3c n SER 36 Cb 0.52 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.38 0.20 0.23 7.33 6.14 -1.11 -5.03 117.35 122.73 1b3c s TYR 37 Ca -0.23 -1.23 -0.11 0.00 0.64 0.00 0.00 57.07 56.14 1b3c s TYR 37 Cb 0.06 -0.65 -0.07 0.00 0.42 0.00 0.00 41.96 41.72 1b3c s TYR 37 CO 0.46 -0.90 0.57 0.20 0.64 0.00 0.00 175.55 176.51 1b3c s GLY 38 N 1.22 2.31 -0.29 8.97 0.00 -1.26 -2.21 107.32 116.06 1b3c s GLY 38 Ca 0.18 -0.22 -0.33 0.00 0.00 0.00 0.00 44.72 44.34 1b3c s GLY 38 CO -0.01 -0.06 1.38 -2.52 0.00 0.00 0.00 173.10 171.89 1b3c s TYR 39 N -1.79 -0.02 0.58 1.90 -0.85 0.30 -4.76 117.35 112.71 1b3c s TYR 39 Ca 0.47 0.02 -0.14 0.00 -0.52 0.00 0.00 57.07 56.90 1b3c s TYR 39 Cb -0.12 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.67 1b3c s TYR 39 CO 0.21 -0.02 1.02 0.00 -1.52 0.00 0.00 175.55 175.23 1b3c s TYR 41 N -2.78 -0.75 -1.67 0.00 6.14 0.92 -0.89 117.35 118.32 1b3c s TYR 41 Ca 0.59 1.77 -0.17 0.00 0.64 0.00 0.00 57.07 59.90 1b3c s TYR 41 Cb -0.12 0.28 0.14 0.00 0.42 0.00 0.00 41.96 42.68 1b3c s TYR 41 CO 0.41 -0.40 0.83 0.41 0.64 0.00 0.00 175.55 177.44 1b3c n GLY 42 N 2.49 -0.45 3.19 8.97 0.00 -1.26 -1.80 105.19 116.32 1b3c n GLY 42 Ca -0.15 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.45 -2.71 -3.64 1.61 3.72 -1.26 -4.99 117.46 105.73 1b3c n PHE 43 Ca 0.06 0.99 -0.02 0.00 -0.05 0.00 0.00 57.45 58.44 1b3c n PHE 43 Cb 0.50 -4.03 -0.03 0.00 -0.94 0.00 0.00 39.48 34.97 1b3c n PHE 43 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1b3c s GLY 44 N -3.16 -0.03 -0.45 1.37 0.00 -0.75 -4.09 107.32 100.22 1b3c s GLY 44 Ca 0.19 2.47 -0.29 0.00 0.00 0.00 0.00 44.72 47.09 1b3c s GLY 44 CO 0.76 0.93 1.14 0.00 0.00 0.00 0.00 173.10 175.93 1b3c s TYR 46 N 4.35 2.72 -0.07 0.00 5.04 -0.15 0.28 117.35 129.53 1b3c s TYR 46 Ca 0.48 -0.17 -0.06 0.00 -2.44 0.00 0.00 57.07 54.89 1b3c s TYR 46 Cb -0.08 -1.41 0.02 0.00 0.35 0.00 0.00 41.96 40.84 1b3c s TYR 46 CO 0.29 0.44 0.18 0.00 -1.34 0.00 0.00 175.55 175.12 1b3c s GLU 48 N 0.42 3.40 0.00 0.00 2.02 -0.94 -2.46 118.70 121.14 1b3c s GLU 48 Ca -0.03 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1b3c s GLU 48 Cb -0.04 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1b3c s GLU 48 CO -0.02 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.05 1b3c n GLY 49 N 3.11 1.91 3.60 -1.39 0.00 -0.54 -1.97 105.19 109.91 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 4.09 0.59 0.99 1.43 -1.26 -4.21 118.68 120.32 1b3c s LEU 50 Ca 0.00 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 1b3c s LEU 50 Cb 0.00 -3.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 1b3c s LEU 50 CO 0.00 -0.67 0.89 -2.65 0.23 0.00 0.00 176.35 174.16 1b3c n PRO 51 N 6.31 0.84 -0.33 1.29 -0.02 -1.26 -4.83 135.00 137.01 1b3c n PRO 51 Ca 0.04 0.33 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1b3c n PRO 51 Cb 0.48 -2.09 0.34 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.47 0.53 -0.51 2.55 1.82 -1.99 0.30 116.42 119.58 1b3c h ASP 52 Ca -0.48 0.14 0.10 0.00 -0.39 0.00 0.00 57.03 56.40 1b3c h ASP 52 Cb 1.37 0.07 -0.09 0.00 0.68 0.00 0.00 39.33 41.36 1b3c h ASP 52 CO 0.50 0.08 -0.01 -1.28 -1.61 0.00 0.00 179.24 176.92 1b3c h SER 53 N 0.52 -0.24 -3.84 2.28 0.87 -2.02 -3.40 113.55 107.73 1b3c h SER 53 Ca 0.59 0.13 -0.52 0.00 -1.23 0.00 0.00 61.79 60.76 1b3c h SER 53 Cb 1.10 0.23 0.06 0.00 -0.44 0.00 0.00 62.40 63.34 1b3c h SER 53 CO -0.48 -0.08 0.62 -0.89 -0.53 0.00 0.00 176.83 175.47 1b3c s THR 54 N -6.17 2.82 0.31 2.23 2.01 0.09 -5.03 115.64 111.90 1b3c s THR 54 Ca -0.14 0.81 0.03 0.00 0.31 0.00 0.00 61.69 62.70 1b3c s THR 54 Cb 0.17 -3.52 0.06 0.00 0.01 0.00 0.00 72.50 69.22 1b3c s THR 54 CO 0.72 0.19 0.43 0.00 -0.69 0.00 0.00 174.62 175.27 1b3c n GLN 55 N 0.96 0.60 -3.87 4.92 10.64 -1.26 -4.77 117.38 124.60 1b3c n GLN 55 Ca 0.00 -1.45 -0.10 0.00 -1.83 0.00 0.00 57.00 53.63 1b3c n GLN 55 Cb 0.42 -0.20 -0.06 0.00 -0.86 0.00 0.00 30.24 29.55 1b3c n GLN 55 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1b3c s THR 56 N -1.00 0.05 0.53 -0.39 -1.32 -1.26 -4.92 115.64 107.33 1b3c s THR 56 Ca 0.31 -1.14 -0.19 0.00 -1.21 0.00 0.00 61.69 59.46 1b3c s THR 56 Cb -0.02 -1.72 -0.07 0.00 -1.51 0.00 0.00 72.50 69.18 1b3c s THR 56 CO 0.20 -0.24 1.05 0.86 -2.21 0.00 0.00 174.62 174.28 1b3c s TRP 57 N -3.93 2.97 1.08 9.09 -0.00 -0.71 -4.26 118.94 123.18 1b3c s TRP 57 Ca 0.14 1.55 -0.17 0.00 -0.00 0.00 0.00 56.10 57.61 1b3c s TRP 57 Cb 0.02 -3.06 0.24 0.00 -0.00 0.00 0.00 33.47 30.66 1b3c s TRP 57 CO -0.01 -0.98 1.20 -1.25 -0.00 0.00 0.00 176.95 175.90 1b3c s PRO 58 N -3.53 -0.25 0.70 5.86 0.04 -1.26 -4.14 135.00 132.41 1b3c s PRO 58 Ca 0.66 -0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.50 1b3c s PRO 58 Cb -0.17 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.75 1b3c s PRO 58 CO 0.26 -3.05 0.97 -0.51 0.04 0.00 0.00 177.00 174.71 1b3c s LEU 59 N -6.43 3.01 0.00 -3.56 1.43 -1.26 -5.08 118.68 106.79 1b3c s LEU 59 Ca 0.72 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1b3c s LEU 59 Cb -0.08 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1b3c s LEU 59 CO 0.55 -1.72 0.00 -2.65 0.23 0.00 0.00 176.35 172.75 1b3c n PRO 60 N -2.79 1.20 -0.33 1.29 -0.02 -1.26 -4.30 135.00 128.78 1b3c n PRO 60 Ca 0.12 0.00 0.36 0.00 -2.02 0.00 0.00 63.50 61.97 1b3c n PRO 60 Cb 0.60 0.00 0.71 0.00 -0.02 0.00 0.00 33.50 34.79 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 -0.49 0.00 -0.59 2.55 -1.24 -2.06 -2.15 115.58 111.59 1b3c h ASN 61 Ca 0.00 0.00 -0.71 0.00 0.71 0.00 0.00 56.30 56.30 1b3c h ASN 61 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1b3c h ASN 61 CO 0.00 0.00 3.09 0.29 -1.29 0.00 0.00 177.43 179.52 1b3c n LYS 62 N -3.87 4.08 -1.90 6.67 4.76 -1.26 -4.95 118.16 121.69 1b3c n LYS 62 Ca 0.27 -2.86 -0.30 0.00 -2.87 0.00 0.00 58.31 52.55 1b3c n LYS 62 Cb 1.39 -2.75 0.19 0.00 -1.84 0.00 0.00 35.03 32.03 1b3c n LYS 62 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1b3c s THR 63 N 0.60 1.98 -0.65 -0.18 2.01 -0.81 -4.75 115.64 113.85 1b3c s THR 63 Ca 0.60 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1b3c s THR 63 Cb 0.18 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1b3c s THR 63 CO -0.07 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.02