#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 5.98 0.11 3.14 1.11 -1.26 -0.61 116.67 125.14 1b3c s ASP 2 Ca 0.00 0.24 -0.26 0.00 0.18 0.00 0.00 52.55 52.71 1b3c s ASP 2 Cb 0.00 -1.80 0.08 0.00 1.07 0.00 0.00 42.92 42.27 1b3c s ASP 2 CO 0.00 0.28 1.06 -0.83 1.18 0.00 0.00 175.17 176.86 1b3c s GLY 3 N -1.76 -0.22 -0.49 0.21 0.00 -0.67 -5.01 107.32 99.37 1b3c s GLY 3 Ca 0.24 0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.98 1b3c s GLY 3 CO 0.15 0.55 0.52 -0.19 0.00 0.00 0.00 173.10 174.13 1b3c s TYR 4 N -2.86 3.14 0.55 1.90 2.02 -1.26 -1.32 117.35 119.52 1b3c s TYR 4 Ca 0.15 -0.72 -0.21 0.00 -0.37 0.00 0.00 57.07 55.92 1b3c s TYR 4 Cb 0.00 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 1b3c s TYR 4 CO 0.01 -0.93 1.27 -0.51 -1.57 0.00 0.00 175.55 173.83 1b3c s LEU 5 N 2.17 3.80 0.00 -1.29 1.43 -1.22 0.15 118.68 123.72 1b3c s LEU 5 Ca 0.10 2.56 0.03 0.00 -1.03 0.00 0.00 54.13 55.79 1b3c s LEU 5 Cb -0.22 -4.40 0.03 0.00 0.03 0.00 0.00 46.19 41.64 1b3c s LEU 5 CO 0.09 -1.50 0.27 1.33 0.23 0.00 0.00 176.35 176.78 1b3c n VAL 6 N -1.17 0.00 -4.07 -1.59 0.24 -1.26 -4.40 118.33 106.08 1b3c n VAL 6 Ca 0.11 -1.10 -0.22 0.00 -2.04 0.00 0.00 64.34 61.10 1b3c n VAL 6 Cb 0.47 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 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 -3.23 3.09 0.48 7.34 2.12 0.18 -4.91 118.70 123.77 1b3c s GLU 7 Ca 0.21 -0.95 0.30 0.00 0.36 0.00 0.00 54.97 54.88 1b3c s GLU 7 Cb -0.02 -2.67 1.38 0.00 0.26 0.00 0.00 34.13 33.08 1b3c s GLU 7 CO 0.13 0.42 1.77 0.87 -0.54 0.00 0.00 175.26 177.90 1b3c h LYS 8 N 1.44 0.15 0.00 4.30 1.57 -2.00 1.61 116.57 123.64 1b3c h LYS 8 Ca -0.50 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1b3c h LYS 8 Cb 1.23 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1b3c h LYS 8 CO 0.61 0.10 -0.07 1.79 -0.57 0.00 0.00 179.45 181.31 1b3c h THR 9 N 0.15 0.13 0.00 -0.16 1.35 -2.01 -3.47 112.91 108.90 1b3c h THR 9 Ca 0.62 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1b3c h THR 9 Cb 2.08 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 1b3c h THR 9 CO -0.16 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.79 1b3c n GLY 10 N 0.88 2.41 3.43 5.82 0.00 0.55 -4.84 105.19 113.43 1b3c n GLY 10 Ca 0.03 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.02 0.16 -3.77 0.00 2.85 -1.26 0.49 118.16 115.61 1b3c n LYS 12 Ca 0.08 -0.57 -0.30 0.00 -1.05 0.00 0.00 58.31 56.47 1b3c n LYS 12 Cb 0.52 -0.22 -0.10 0.00 -0.65 0.00 0.00 35.03 34.58 1b3c n LYS 12 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1b3c n LYS 13 N -1.51 2.18 -1.74 -1.58 5.02 -1.26 -4.68 118.16 114.58 1b3c n LYS 13 Ca 0.04 -4.52 -0.37 0.00 -2.02 0.00 0.00 58.31 51.44 1b3c n LYS 13 Cb 0.13 -2.32 0.07 0.00 -0.02 0.00 0.00 35.03 32.89 1b3c n LYS 13 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1b3c s THR 14 N -1.60 2.02 -0.01 -0.18 2.01 -1.26 -2.53 115.64 114.09 1b3c s THR 14 Ca 0.27 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1b3c s THR 14 Cb -0.03 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.49 1b3c s THR 14 CO -0.14 -0.00 -0.00 0.00 -0.69 0.00 0.00 174.62 173.79 1b3c n TYR 16 N 3.54 0.19 -3.31 0.00 4.02 -1.26 -4.19 117.16 116.15 1b3c n TYR 16 Ca -0.19 0.06 -0.47 0.00 -0.01 0.00 0.00 57.90 57.29 1b3c n TYR 16 Cb 0.55 -0.36 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 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 -3.13 3.45 0.16 -0.72 -0.14 -1.26 -5.03 119.74 113.06 1b3c s LYS 17 Ca 0.06 -2.24 -0.31 0.00 -1.36 0.00 0.00 55.97 52.12 1b3c s LYS 17 Cb 0.15 -4.41 -0.10 0.00 -1.68 0.00 0.00 37.83 31.80 1b3c s LYS 17 CO 0.78 -1.32 1.53 -0.51 -0.76 0.00 0.00 175.35 175.07 1b3c s LEU 18 N 0.63 4.37 0.00 3.17 1.43 -1.26 -4.62 118.68 122.40 1b3c s LEU 18 Ca 0.15 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1b3c s LEU 18 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1b3c s LEU 18 CO -0.06 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1b3c n GLY 19 N 3.65 0.67 3.50 -3.19 0.00 -1.22 -4.95 105.19 103.65 1b3c n GLY 19 Ca 0.13 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.16 0.30 -2.05 1.61 0.00 -1.26 -2.43 120.64 116.65 1b3c n GLU 20 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 57.16 56.17 1b3c n GLU 20 Cb 0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 31.44 28.52 1b3c n GLU 20 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1b3c s ASN 21 N 6.97 5.09 0.54 4.31 3.84 -1.26 -4.76 114.94 129.67 1b3c s ASN 21 Ca 0.94 -1.07 0.40 0.00 0.21 0.00 0.00 52.86 53.33 1b3c s ASN 21 Cb -0.29 -2.57 1.59 0.00 -0.55 0.00 0.00 41.25 39.43 1b3c s ASN 21 CO 0.21 -2.89 1.74 0.44 -2.79 0.00 0.00 177.10 173.81 1b3c h ASP 22 N 10.66 0.02 0.88 -4.21 3.32 -1.93 0.55 116.42 125.71 1b3c h ASP 22 Ca 0.15 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1b3c h ASP 22 Cb 0.98 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.54 1b3c h ASP 22 CO 1.21 -0.00 -0.42 0.15 -1.72 0.00 0.00 179.24 178.46 1b3c h PHE 23 N 0.01 -1.09 -0.44 4.55 3.57 -1.99 -1.83 116.94 119.72 1b3c h PHE 23 Ca 0.67 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 62.02 1b3c h PHE 23 Cb 2.66 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 41.74 1b3c h PHE 23 CO -0.00 -0.68 -0.24 0.00 -2.23 0.00 0.00 178.31 175.16 1b3c h ASN 25 N 0.78 0.42 0.20 0.00 -1.24 0.07 0.77 115.58 116.58 1b3c h ASN 25 Ca 0.10 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 1b3c h ASN 25 Cb 0.80 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1b3c h ASN 25 CO 0.07 0.03 -0.10 -0.09 -1.29 0.00 0.00 177.43 176.05 1b3c h ARG 26 N 0.35 -0.26 -0.08 6.67 2.43 -0.93 -2.35 114.38 120.21 1b3c h ARG 26 Ca 0.64 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.87 1b3c h ARG 26 Cb 1.68 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.23 1b3c h ARG 26 CO -0.34 -0.01 -0.30 0.93 -1.51 0.00 0.00 179.97 178.74 1b3c h GLU 27 N -1.02 -0.39 -0.36 0.20 5.08 -0.88 -1.89 114.58 115.32 1b3c h GLU 27 Ca -0.03 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1b3c h GLU 27 Cb 0.37 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1b3c h GLU 27 CO 0.05 -0.26 -0.17 0.00 -1.00 0.00 0.00 179.01 177.62 1b3c h LYS 29 N -0.11 -0.18 0.00 0.00 1.57 -0.78 -3.37 116.57 113.70 1b3c h LYS 29 Ca 0.18 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1b3c h LYS 29 Cb 0.39 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1b3c h LYS 29 CO -0.43 -0.12 0.00 0.91 -0.57 0.00 0.00 179.45 179.24 1b3c n TRP 30 N -5.38 -0.01 -1.04 -1.35 5.03 -0.73 -4.50 117.44 109.46 1b3c n TRP 30 Ca 0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.55 1b3c n TRP 30 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.62 1b3c n TRP 30 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1b3c n LYS 31 N 0.00 0.00 0.00 -0.99 4.81 -1.26 -4.88 118.16 115.84 1b3c n LYS 31 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 1b3c n LYS 31 Cb 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 34.57 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 0.00 0.00 0.08 5.64 8.25 -1.26 -4.86 115.22 123.06 1b3c n HIS 32 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1b3c n HIS 32 Cb 0.37 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.35 1b3c n HIS 32 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1b3c h ILE 33 N 0.00 1.33 0.00 1.59 1.08 -1.88 -3.48 117.51 116.16 1b3c h ILE 33 Ca 0.00 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 1b3c h ILE 33 Cb 0.00 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1b3c h ILE 33 CO 0.00 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.80 1b3c n GLY 34 N 1.39 0.48 3.55 5.37 0.00 -1.26 -4.52 105.19 110.20 1b3c n GLY 34 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1b3c n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b3c n GLY 35 N -1.64 0.11 0.10 -0.02 0.00 -1.25 -4.66 105.19 97.82 1b3c n GLY 35 Ca 0.00 0.59 0.12 0.00 0.00 0.00 0.00 46.02 46.73 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 16.48 0.63 -3.64 1.61 3.41 -1.15 -4.15 113.62 126.82 1b3c n SER 36 Ca 0.39 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 59.50 1b3c n SER 36 Cb 0.52 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.17 -0.53 0.23 7.33 6.14 -1.26 -5.02 117.35 121.08 1b3c s TYR 37 Ca 0.08 1.28 -0.15 0.00 0.64 0.00 0.00 57.07 58.92 1b3c s TYR 37 Cb 0.12 0.35 0.01 0.00 0.42 0.00 0.00 41.96 42.85 1b3c s TYR 37 CO 0.49 -0.25 0.52 0.20 0.64 0.00 0.00 175.55 177.14 1b3c s GLY 38 N 0.27 0.21 0.00 8.97 0.00 -1.26 -2.33 107.32 113.17 1b3c s GLY 38 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1b3c s GLY 38 CO -0.05 -0.43 0.00 1.58 0.00 0.00 0.00 173.10 174.20 1b3c n TYR 39 N -0.37 -0.33 -3.76 1.90 4.11 -0.97 -4.37 117.16 113.38 1b3c n TYR 39 Ca -0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.49 1b3c n TYR 39 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.88 1b3c n TYR 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1b3c s TYR 41 N -0.00 -0.33 -0.90 0.00 5.04 -0.73 -3.44 117.35 116.99 1b3c s TYR 41 Ca 0.10 0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 55.51 1b3c s TYR 41 Cb -0.11 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.09 1b3c s TYR 41 CO -0.00 -0.31 0.56 0.41 -1.34 0.00 0.00 175.55 174.86 1b3c n GLY 42 N 5.23 -0.01 3.64 8.97 0.00 -1.26 -2.75 105.19 119.01 1b3c n GLY 42 Ca -0.08 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.04 -2.63 -3.76 1.61 3.72 -1.26 -4.95 117.46 106.16 1b3c n PHE 43 Ca -0.03 0.98 -0.09 0.00 -0.05 0.00 0.00 57.45 58.26 1b3c n PHE 43 Cb 0.56 -4.81 -0.01 0.00 -0.94 0.00 0.00 39.48 34.28 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 -1.80 1.98 3.29 1.37 0.00 -1.11 -2.79 105.19 106.13 1b3c n GLY 44 Ca -0.04 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 1.43 3.01 0.22 0.00 5.04 -0.80 -3.43 117.35 122.82 1b3c s TYR 46 Ca 0.01 -0.44 0.10 0.00 -2.44 0.00 0.00 57.07 54.30 1b3c s TYR 46 Cb -0.17 -2.01 -0.05 0.00 0.35 0.00 0.00 41.96 40.08 1b3c s TYR 46 CO 0.00 -0.18 -0.18 0.00 -1.34 0.00 0.00 175.55 173.86 1b3c s GLU 48 N -3.32 1.15 0.00 0.00 2.02 -0.98 -1.67 118.70 115.89 1b3c s GLU 48 Ca 0.23 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1b3c s GLU 48 Cb -0.04 -1.29 0.00 0.00 0.10 0.00 0.00 34.13 32.90 1b3c s GLU 48 CO 0.10 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1b3c n GLY 49 N 1.50 0.90 3.52 -1.39 0.00 0.22 -2.95 105.19 106.98 1b3c n GLY 49 Ca -0.19 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.21 4.58 0.97 0.99 1.43 -1.21 -3.94 118.68 121.29 1b3c s LEU 50 Ca 0.00 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1b3c s LEU 50 Cb 0.00 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.20 1b3c s LEU 50 CO 0.00 -0.26 0.75 -2.65 0.23 0.00 0.00 176.35 174.41 1b3c n PRO 51 N 5.11 -0.65 0.27 1.29 -0.02 -1.26 -4.83 135.00 134.90 1b3c n PRO 51 Ca -0.12 -0.14 0.11 0.00 -2.02 0.00 0.00 63.50 61.33 1b3c n PRO 51 Cb 0.49 -2.10 0.73 0.00 -0.02 0.00 0.00 33.50 32.61 1b3c n PRO 51 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b3c h ASP 52 N -1.85 0.00 -0.04 2.55 5.19 -2.00 -1.04 116.42 119.23 1b3c h ASP 52 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1b3c h ASP 52 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1b3c h ASP 52 CO 0.39 0.06 0.00 -0.24 -3.12 0.00 0.00 179.24 176.33 1b3c n SER 53 N -4.05 0.31 -4.91 6.45 2.88 -1.26 -4.82 113.62 108.21 1b3c n SER 53 Ca -0.03 -1.59 -0.32 0.00 -1.33 0.00 0.00 58.87 55.61 1b3c n SER 53 Cb 0.15 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1b3c s THR 54 N -1.95 5.37 0.67 2.46 2.01 -0.40 -5.11 115.64 118.69 1b3c s THR 54 Ca 0.23 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 1b3c s THR 54 Cb 0.11 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 69.11 1b3c s THR 54 CO 0.18 0.18 0.93 -1.10 -0.69 0.00 0.00 174.62 174.12 1b3c s GLN 55 N -2.36 1.98 0.00 4.92 -1.52 -1.26 -4.92 119.66 116.50 1b3c s GLN 55 Ca 0.34 -0.96 -0.21 0.00 -1.95 0.00 0.00 55.36 52.58 1b3c s GLN 55 Cb -0.13 -2.37 0.04 0.00 -0.22 0.00 0.00 33.01 30.33 1b3c s GLN 55 CO 0.25 -1.20 0.47 0.95 -0.25 0.00 0.00 175.29 175.51 1b3c s THR 56 N -3.03 0.04 0.53 -0.19 -4.23 -1.26 -4.75 115.64 102.75 1b3c s THR 56 Ca 0.63 -0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 60.64 1b3c s THR 56 Cb -0.07 -0.86 -0.06 0.00 1.34 0.00 0.00 72.50 72.85 1b3c s THR 56 CO 0.42 -0.17 1.14 0.86 -0.54 0.00 0.00 174.62 176.33 1b3c s TRP 57 N -1.77 2.69 0.85 3.99 -0.00 0.40 -4.19 118.94 120.91 1b3c s TRP 57 Ca -0.09 1.54 -0.14 0.00 -0.00 0.00 0.00 56.10 57.40 1b3c s TRP 57 Cb -0.02 -3.31 0.21 0.00 -0.00 0.00 0.00 33.47 30.35 1b3c s TRP 57 CO 0.03 -1.59 0.79 -0.35 -0.00 0.00 0.00 176.95 175.83 1b3c n PRO 58 N -1.18 -2.38 -3.18 5.86 -0.04 -1.26 -4.54 135.00 128.27 1b3c n PRO 58 Ca 0.11 -1.26 -0.18 0.00 -0.04 0.00 0.00 63.50 62.13 1b3c n PRO 58 Cb 0.50 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1b3c n PRO 58 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1b3c s LEU 59 N 0.00 3.66 0.00 1.53 -0.00 -1.26 -5.07 118.68 117.53 1b3c s LEU 59 Ca 0.51 -0.44 0.00 0.00 -0.00 0.00 0.00 54.13 54.19 1b3c s LEU 59 Cb -0.05 -2.57 0.00 0.00 -0.00 0.00 0.00 46.19 43.58 1b3c s LEU 59 CO 0.38 -0.69 0.00 -2.65 -0.00 0.00 0.00 176.35 173.40 1b3c n PRO 60 N -1.76 1.19 0.20 1.48 -0.02 -1.26 -4.62 135.00 130.21 1b3c n PRO 60 Ca 0.06 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.72 1b3c n PRO 60 Cb 0.59 0.00 0.74 0.00 -0.02 0.00 0.00 33.50 34.81 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 -0.47 0.00 -0.87 2.55 2.35 -2.05 -3.33 115.58 113.75 1b3c h ASN 61 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1b3c h ASN 61 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1b3c h ASN 61 CO 0.00 0.00 1.38 -0.75 -1.65 0.00 0.00 177.43 176.41 1b3c s LYS 62 N -4.36 3.26 0.83 0.81 2.36 -1.26 -4.97 119.74 116.41 1b3c s LYS 62 Ca -0.04 -1.08 -0.11 0.00 -2.55 0.00 0.00 55.97 52.18 1b3c s LYS 62 Cb 0.12 -5.30 0.09 0.00 -1.05 0.00 0.00 37.83 31.69 1b3c s LYS 62 CO 0.40 -2.76 1.10 0.99 1.55 0.00 0.00 175.35 176.63 1b3c s THR 63 N 6.96 2.89 -2.00 3.43 2.01 -1.25 -4.78 115.64 122.90 1b3c s THR 63 Ca 0.57 0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.94 1b3c s THR 63 Cb -0.01 -2.94 0.23 0.00 0.01 0.00 0.00 72.50 69.79 1b3c s THR 63 CO -0.01 -0.38 0.95 0.00 -0.69 0.00 0.00 174.62 174.49