#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 6.92 0.05 -5.58 1.11 -1.26 0.57 116.67 118.48 1b3c s ASP 2 Ca 0.00 1.83 -0.04 0.00 0.18 0.00 0.00 52.55 54.52 1b3c s ASP 2 Cb 0.00 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1b3c s ASP 2 CO 0.00 -0.37 0.20 0.61 1.18 0.00 0.00 175.17 176.79 1b3c n GLY 3 N -0.08 1.35 2.52 0.21 0.00 -0.17 -4.93 105.19 104.08 1b3c n GLY 3 Ca 0.06 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.14 2.27 -1.41 1.61 4.01 -1.26 -2.43 117.16 119.81 1b3c n TYR 4 Ca -0.01 -3.99 -0.45 0.00 -0.16 0.00 0.00 57.90 53.29 1b3c n TYR 4 Cb 0.12 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1b3c n TYR 4 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1b3c n LEU 5 N 1.51 -0.96 0.00 7.72 4.77 -1.25 -0.29 117.00 128.50 1b3c n LEU 5 Ca 0.25 1.03 -0.01 0.00 -0.03 0.00 0.00 56.01 57.25 1b3c n LEU 5 Cb 0.42 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1b3c n LEU 5 CO 0.29 -3.02 0.02 1.33 -1.33 0.00 0.00 177.39 174.68 1b3c n VAL 6 N -0.35 0.00 -3.35 4.08 0.24 -1.26 -4.59 118.33 113.09 1b3c n VAL 6 Ca 0.14 -0.10 -0.19 0.00 -2.04 0.00 0.00 64.34 62.15 1b3c n VAL 6 Cb 0.32 -0.87 -0.00 0.00 -1.47 0.00 0.00 33.84 31.81 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 -2.13 2.95 0.55 7.34 0.41 0.00 -4.87 118.70 122.95 1b3c s GLU 7 Ca 0.03 -1.15 0.37 0.00 -0.41 0.00 0.00 54.97 53.81 1b3c s GLU 7 Cb -0.00 -2.74 1.54 0.00 -1.78 0.00 0.00 34.13 31.15 1b3c s GLU 7 CO 0.02 -0.06 1.77 -0.22 -0.49 0.00 0.00 175.26 176.28 1b3c h LYS 8 N 0.85 0.00 -0.00 1.61 3.11 -1.98 1.50 116.57 121.65 1b3c h LYS 8 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1b3c h LYS 8 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1b3c h LYS 8 CO 0.51 0.00 -0.58 0.25 -2.81 0.00 0.00 179.45 176.82 1b3c n THR 9 N -4.09 0.00 0.00 1.00 -2.24 -1.26 -4.93 114.28 102.76 1b3c n THR 9 Ca 0.26 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1b3c n THR 9 Cb 1.29 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 1.50 2.98 3.74 3.38 0.00 0.51 -4.55 105.19 112.75 1b3c n GLY 10 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 2.51 -1.18 -3.46 0.00 2.85 -1.26 -0.82 118.16 116.80 1b3c n LYS 12 Ca 0.07 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.07 1b3c n LYS 12 Cb 0.40 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.66 1b3c n LYS 12 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1b3c s LYS 13 N -2.18 0.47 0.30 -1.58 -0.14 -1.26 -4.56 119.74 110.79 1b3c s LYS 13 Ca 0.00 -1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 53.31 1b3c s LYS 13 Cb 0.00 -1.14 -0.09 0.00 -1.68 0.00 0.00 37.83 34.92 1b3c s LYS 13 CO 0.00 -1.16 0.98 0.99 -0.76 0.00 0.00 175.35 175.40 1b3c s THR 14 N 1.41 3.99 0.48 2.17 2.01 -1.26 -0.40 115.64 124.04 1b3c s THR 14 Ca 0.16 1.79 0.06 0.00 0.31 0.00 0.00 61.69 64.01 1b3c s THR 14 Cb -0.20 -4.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1b3c s THR 14 CO -0.09 0.27 0.31 0.00 -0.69 0.00 0.00 174.62 174.42 1b3c n TYR 16 N -1.54 0.00 -3.29 0.00 4.01 -1.26 -4.77 117.16 110.30 1b3c n TYR 16 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 1b3c n TYR 16 Cb 0.64 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.60 1b3c n TYR 16 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1b3c n LYS 17 N -1.15 2.99 -1.14 -0.72 4.81 -1.26 -5.08 118.16 116.60 1b3c n LYS 17 Ca 0.00 -4.68 -0.37 0.00 -0.87 0.00 0.00 58.31 52.39 1b3c n LYS 17 Cb 0.03 -2.30 0.02 0.00 0.02 0.00 0.00 35.03 32.79 1b3c n LYS 17 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1b3c n LEU 18 N 0.80 -4.22 0.00 3.14 4.77 -1.26 -4.39 117.00 115.84 1b3c n LEU 18 Ca 0.30 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1b3c n LEU 18 Cb 0.39 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1b3c n LEU 18 CO 0.46 -5.00 0.00 0.61 -1.33 0.00 0.00 177.39 172.13 1b3c n GLY 19 N 2.71 -1.27 3.43 -0.72 0.00 -1.26 -4.76 105.19 103.32 1b3c n GLY 19 Ca 0.05 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1b3c n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1b3c n GLU 20 N 0.00 0.07 -2.80 1.61 0.00 -1.26 -2.97 120.64 115.28 1b3c n GLU 20 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 57.16 55.46 1b3c n GLU 20 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 31.44 28.25 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 6.36 6.83 0.25 -1.84 3.84 -1.26 -4.84 114.94 124.27 1b3c s ASN 21 Ca 0.61 -2.42 -0.07 0.00 0.21 0.00 0.00 52.86 51.18 1b3c s ASN 21 Cb -0.04 -2.47 0.43 0.00 -0.55 0.00 0.00 41.25 38.63 1b3c s ASN 21 CO 0.14 -1.03 1.62 0.44 -2.79 0.00 0.00 177.10 175.48 1b3c h ASP 22 N 8.03 -0.45 -0.70 -4.21 3.32 -1.90 0.29 116.42 120.81 1b3c h ASP 22 Ca 0.29 0.21 0.12 0.00 0.02 0.00 0.00 57.03 57.67 1b3c h ASP 22 Cb 0.93 0.39 -0.13 0.00 0.22 0.00 0.00 39.33 40.74 1b3c h ASP 22 CO 1.29 -0.21 -0.33 0.15 -1.72 0.00 0.00 179.24 178.41 1b3c h PHE 23 N 0.07 -0.92 0.08 4.55 3.04 -1.97 0.52 116.94 122.31 1b3c h PHE 23 Ca 0.41 0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.44 1b3c h PHE 23 Cb 0.72 0.51 0.00 0.00 2.56 0.00 0.00 35.95 39.74 1b3c h PHE 23 CO -0.47 -0.38 -0.04 0.00 -2.02 0.00 0.00 178.31 175.39 1b3c h ASN 25 N -0.11 -0.80 -0.83 0.00 2.35 0.24 1.23 115.58 117.66 1b3c h ASN 25 Ca -0.01 0.11 0.19 0.00 -0.55 0.00 0.00 56.30 56.04 1b3c h ASN 25 Cb 0.09 0.34 -0.12 0.00 0.05 0.00 0.00 38.32 38.67 1b3c h ASN 25 CO 0.02 -0.14 0.28 0.03 -1.65 0.00 0.00 177.43 175.97 1b3c h ARG 26 N -0.10 0.31 0.17 0.81 3.08 -1.26 0.37 114.38 117.76 1b3c h ARG 26 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1b3c h ARG 26 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1b3c h ARG 26 CO -0.29 0.21 -0.08 0.93 -1.07 0.00 0.00 179.97 179.67 1b3c h GLU 27 N 0.32 -0.21 0.00 0.04 4.39 -0.26 -2.86 114.58 116.00 1b3c h GLU 27 Ca 0.49 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.21 1b3c h GLU 27 Cb 0.90 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1b3c h GLU 27 CO -0.54 0.16 -0.01 0.00 -1.16 0.00 0.00 179.01 177.47 1b3c n LYS 29 N -3.12 3.02 -1.64 0.00 5.02 0.12 -4.65 118.16 116.92 1b3c n LYS 29 Ca -0.01 -3.07 -0.35 0.00 -2.02 0.00 0.00 58.31 52.86 1b3c n LYS 29 Cb 0.21 -2.10 0.03 0.00 -0.02 0.00 0.00 35.03 33.15 1b3c n LYS 29 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1b3c n TRP 30 N -0.57 2.68 -3.61 2.13 -0.00 -0.87 -4.94 117.44 112.27 1b3c n TRP 30 Ca 0.42 -2.39 -0.01 0.00 -0.00 0.00 0.00 57.50 55.52 1b3c n TRP 30 Cb 1.34 -1.27 -0.01 0.00 -0.00 0.00 0.00 31.31 31.37 1b3c n TRP 30 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1b3c s LYS 31 N -3.43 0.32 -0.38 -2.67 2.20 -1.26 -5.02 119.74 109.50 1b3c s LYS 31 Ca 0.55 -0.15 -0.15 0.00 -0.36 0.00 0.00 55.97 55.85 1b3c s LYS 31 Cb 0.43 0.13 -0.16 0.00 -1.51 0.00 0.00 37.83 36.72 1b3c s LYS 31 CO -0.26 -0.15 1.63 1.58 -0.36 0.00 0.00 175.35 177.79 1b3c n HIS 32 N -0.29 0.75 0.00 4.03 -0.00 -1.26 -4.39 115.22 114.05 1b3c n HIS 32 Ca -0.04 -1.13 0.00 0.00 0.46 0.00 0.00 57.72 57.01 1b3c n HIS 32 Cb 0.60 -1.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 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 5.64 0.00 0.00 3.57 2.08 -1.26 -4.98 119.36 124.40 1b3c n ILE 33 Ca 0.35 0.48 0.00 0.00 0.56 0.00 0.00 62.75 64.13 1b3c n ILE 33 Cb 0.24 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 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 1.55 0.59 3.85 7.39 0.00 -1.26 -4.65 105.19 112.66 1b3c n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.86 2.21 -0.11 -0.02 0.00 -1.26 -4.65 107.32 102.63 1b3c s GLY 35 Ca 0.00 0.11 0.18 0.00 0.00 0.00 0.00 44.72 45.01 1b3c s GLY 35 CO 0.00 0.35 0.33 -1.14 0.00 0.00 0.00 173.10 172.64 1b3c n SER 36 N -0.88 0.26 -3.65 1.64 3.41 -0.53 -4.93 113.62 108.95 1b3c n SER 36 Ca 0.05 0.12 -0.03 0.00 -0.26 0.00 0.00 58.87 58.75 1b3c n SER 36 Cb 0.54 0.86 -0.05 0.00 -0.26 0.00 0.00 64.21 65.29 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 -2.72 -1.21 -0.35 7.33 5.04 -1.26 -5.02 117.35 119.17 1b3c s TYR 37 Ca -0.08 2.13 0.02 0.00 -2.44 0.00 0.00 57.07 56.70 1b3c s TYR 37 Cb 0.08 0.68 0.10 0.00 0.35 0.00 0.00 41.96 43.17 1b3c s TYR 37 CO 0.84 -0.62 0.08 0.20 -1.34 0.00 0.00 175.55 174.71 1b3c s GLY 38 N 2.80 1.94 0.28 8.97 0.00 -1.26 -1.71 107.32 118.34 1b3c s GLY 38 Ca -0.05 -2.49 0.07 0.00 0.00 0.00 0.00 44.72 42.25 1b3c s GLY 38 CO -0.17 0.94 -0.07 -2.52 0.00 0.00 0.00 173.10 171.28 1b3c s TYR 39 N 0.98 2.00 0.86 1.90 -0.85 -0.39 -3.98 117.35 117.87 1b3c s TYR 39 Ca 0.09 -0.66 -0.12 0.00 -0.52 0.00 0.00 57.07 55.87 1b3c s TYR 39 Cb -0.20 -1.12 0.11 0.00 0.38 0.00 0.00 41.96 41.13 1b3c s TYR 39 CO -0.07 0.33 1.10 0.00 -1.52 0.00 0.00 175.55 175.39 1b3c s TYR 41 N -3.03 -1.05 -1.49 0.00 6.14 0.47 -4.41 117.35 113.98 1b3c s TYR 41 Ca 0.62 1.92 -0.09 0.00 0.64 0.00 0.00 57.07 60.16 1b3c s TYR 41 Cb -0.16 0.63 0.07 0.00 0.42 0.00 0.00 41.96 42.91 1b3c s TYR 41 CO 0.56 -0.52 0.80 0.41 0.64 0.00 0.00 175.55 177.43 1b3c n GLY 42 N 4.81 -0.40 3.47 8.97 0.00 -1.26 -1.58 105.19 119.21 1b3c n GLY 42 Ca -0.15 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.50 -2.18 -3.57 1.61 3.72 -1.26 -4.98 117.46 106.30 1b3c n PHE 43 Ca -0.08 0.75 -0.14 0.00 -0.05 0.00 0.00 57.45 57.93 1b3c n PHE 43 Cb 0.58 -4.09 -0.06 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 -3.69 -0.41 -0.79 1.37 0.00 -0.61 -3.95 107.32 99.24 1b3c s GLY 44 Ca 0.33 1.81 -0.25 0.00 0.00 0.00 0.00 44.72 46.61 1b3c s GLY 44 CO 0.79 1.15 1.83 0.00 0.00 0.00 0.00 173.10 176.87 1b3c s TYR 46 N 8.99 3.45 0.18 0.00 5.04 -0.55 -3.86 117.35 130.61 1b3c s TYR 46 Ca 0.65 0.64 0.07 0.00 -2.44 0.00 0.00 57.07 55.98 1b3c s TYR 46 Cb -0.08 -2.41 -0.05 0.00 0.35 0.00 0.00 41.96 39.77 1b3c s TYR 46 CO 0.07 0.18 -0.13 0.00 -1.34 0.00 0.00 175.55 174.33 1b3c s GLU 48 N -3.58 1.39 0.00 0.00 2.02 -0.70 -1.00 118.70 116.83 1b3c s GLU 48 Ca 0.20 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1b3c s GLU 48 Cb -0.00 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.37 1b3c s GLU 48 CO 0.05 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1b3c n GLY 49 N 0.88 0.94 3.39 -1.39 0.00 0.19 -1.45 105.19 107.75 1b3c n GLY 49 Ca -0.18 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.34 1b3c n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b3c n LEU 50 N 0.00 1.15 -4.73 0.99 4.77 -0.77 -3.72 117.00 114.68 1b3c n LEU 50 Ca 0.00 0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 56.02 1b3c n LEU 50 Cb 0.00 -1.06 0.08 0.00 -2.33 0.00 0.00 43.42 40.10 1b3c n LEU 50 CO 0.00 -0.81 0.80 -2.16 -1.33 0.00 0.00 177.39 173.88 1b3c s PRO 51 N 7.02 2.37 0.50 3.23 0.04 -1.26 -3.92 135.00 142.99 1b3c s PRO 51 Ca 1.19 1.71 0.24 0.00 0.04 0.00 0.00 61.00 64.18 1b3c s PRO 51 Cb -1.15 -1.87 1.31 0.00 0.04 0.00 0.00 34.50 32.84 1b3c s PRO 51 CO 0.54 -1.64 1.94 -0.44 0.04 0.00 0.00 177.00 177.44 1b3c h ASP 52 N -0.06 0.12 -0.61 6.66 3.32 -2.00 -1.53 116.42 122.32 1b3c h ASP 52 Ca -0.48 0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.64 1b3c h ASP 52 Cb 1.29 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.77 1b3c h ASP 52 CO 0.51 0.06 0.32 -1.28 -1.72 0.00 0.00 179.24 177.13 1b3c h SER 53 N 0.13 0.45 -4.08 6.45 0.87 -1.99 -3.42 113.55 111.96 1b3c h SER 53 Ca 0.34 0.04 -0.49 0.00 -1.23 0.00 0.00 61.79 60.44 1b3c h SER 53 Cb 1.15 -0.05 0.05 0.00 -0.44 0.00 0.00 62.40 63.11 1b3c h SER 53 CO -0.04 0.30 0.41 -0.89 -0.53 0.00 0.00 176.83 176.07 1b3c s THR 54 N -6.10 3.42 0.58 2.23 2.01 -0.58 -5.04 115.64 112.16 1b3c s THR 54 Ca -0.13 0.88 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 1b3c s THR 54 Cb 0.15 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.35 1b3c s THR 54 CO 0.75 -0.19 0.83 -1.10 -0.69 0.00 0.00 174.62 174.22 1b3c s GLN 55 N -3.27 2.48 0.21 4.92 -1.52 -1.26 -4.87 119.66 116.35 1b3c s GLN 55 Ca 0.70 -0.65 -0.04 0.00 -1.95 0.00 0.00 55.36 53.43 1b3c s GLN 55 Cb -0.21 -2.41 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 1b3c s GLN 55 CO 0.24 -0.83 0.22 -0.08 -0.25 0.00 0.00 175.29 174.60 1b3c s THR 56 N -2.87 0.01 0.36 -0.19 -1.32 -1.26 -4.48 115.64 105.88 1b3c s THR 56 Ca 0.58 -1.82 -0.20 0.00 -1.21 0.00 0.00 61.69 59.04 1b3c s THR 56 Cb -0.10 -2.39 -0.10 0.00 -1.51 0.00 0.00 72.50 68.40 1b3c s THR 56 CO 0.40 -0.02 0.86 0.86 -2.21 0.00 0.00 174.62 174.50 1b3c s TRP 57 N -4.11 3.41 0.83 9.09 -0.00 0.60 -3.96 118.94 124.79 1b3c s TRP 57 Ca 0.33 1.49 -0.11 0.00 -0.00 0.00 0.00 56.10 57.81 1b3c s TRP 57 Cb 0.05 -2.74 0.12 0.00 -0.00 0.00 0.00 33.47 30.90 1b3c s TRP 57 CO 0.11 0.04 1.17 -1.25 -0.00 0.00 0.00 176.95 177.02 1b3c s PRO 58 N -2.85 1.55 1.06 5.86 0.04 -1.26 -4.69 135.00 134.71 1b3c s PRO 58 Ca 0.56 -0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.17 1b3c s PRO 58 Cb -0.11 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 32.65 1b3c s PRO 58 CO 0.17 -1.77 1.18 -0.51 0.04 0.00 0.00 177.00 176.11 1b3c s LEU 59 N -5.56 1.62 0.00 -3.56 1.02 -1.25 -5.03 118.68 105.92 1b3c s LEU 59 Ca 0.66 0.61 0.00 0.00 0.02 0.00 0.00 54.13 55.42 1b3c s LEU 59 Cb -0.08 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.55 1b3c s LEU 59 CO 0.49 -3.33 0.00 -2.65 0.02 0.00 0.00 176.35 170.88 1b3c n PRO 60 N -4.23 0.02 0.02 1.29 -0.02 -1.26 -4.50 135.00 126.32 1b3c n PRO 60 Ca 0.12 0.00 0.21 0.00 -2.02 0.00 0.00 63.50 61.81 1b3c n PRO 60 Cb 0.59 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.68 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 -1.06 0.00 -1.21 2.55 4.21 -2.05 -2.82 115.58 115.21 1b3c h ASN 61 Ca 0.00 0.00 -0.75 0.00 1.21 0.00 0.00 56.30 56.76 1b3c h ASN 61 Cb 0.00 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.06 1b3c h ASN 61 CO 0.00 0.00 2.16 1.17 -1.29 0.00 0.00 177.43 179.47 1b3c n LYS 62 N -3.38 3.47 -0.58 0.81 0.00 -1.26 -5.00 118.16 112.22 1b3c n LYS 62 Ca 0.12 -3.40 -0.29 0.00 0.00 0.00 0.00 58.31 54.74 1b3c n LYS 62 Cb 0.94 -3.01 0.26 0.00 0.00 0.00 0.00 35.03 33.22 1b3c n LYS 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1b3c s THR 63 N 1.01 1.77 -2.00 3.15 2.01 -1.07 -4.75 115.64 115.77 1b3c s THR 63 Ca 0.41 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1b3c s THR 63 Cb 0.09 -2.12 0.08 0.00 0.01 0.00 0.00 72.50 70.56 1b3c s THR 63 CO -0.01 0.00 0.66 0.00 -0.69 0.00 0.00 174.62 174.58