#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 3.28 0.32 -5.58 1.01 -1.26 0.06 116.67 114.50 1b3c s ASP 2 Ca 0.00 -0.45 -0.16 0.00 0.71 0.00 0.00 52.55 52.65 1b3c s ASP 2 Cb 0.00 -0.90 0.03 0.00 1.01 0.00 0.00 42.92 43.06 1b3c s ASP 2 CO 0.00 0.25 0.68 -0.83 0.21 0.00 0.00 175.17 175.48 1b3c s GLY 3 N -0.21 0.34 -0.27 0.21 0.00 -1.00 -5.01 107.32 101.39 1b3c s GLY 3 Ca -0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 1b3c s GLY 3 CO 0.03 -0.35 0.17 -0.19 0.00 0.00 0.00 173.10 172.76 1b3c s TYR 4 N -3.27 3.23 0.62 1.90 2.02 -1.26 -1.53 117.35 119.06 1b3c s TYR 4 Ca 0.17 0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.77 1b3c s TYR 4 Cb -0.04 -2.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1b3c s TYR 4 CO 0.10 -0.13 0.96 1.28 -1.57 0.00 0.00 175.55 176.19 1b3c n LEU 5 N 4.85 3.71 0.00 -1.29 4.77 -1.19 0.11 117.00 127.97 1b3c n LEU 5 Ca -0.15 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1b3c n LEU 5 Cb 0.52 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1b3c n LEU 5 CO 0.33 -1.91 0.00 1.33 -1.33 0.00 0.00 177.39 175.81 1b3c n VAL 6 N -1.87 0.00 -4.52 4.08 0.24 -1.26 -4.39 118.33 110.61 1b3c n VAL 6 Ca 0.14 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.19 1b3c n VAL 6 Cb 0.48 -0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 32.40 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 -1.67 1.77 0.46 7.34 0.41 0.09 -4.89 118.70 122.21 1b3c s GLU 7 Ca 0.00 -1.92 0.32 0.00 -0.41 0.00 0.00 54.97 52.96 1b3c s GLU 7 Cb 0.00 -1.53 1.44 0.00 -1.78 0.00 0.00 34.13 32.26 1b3c s GLU 7 CO 0.00 0.08 1.66 1.57 -0.49 0.00 0.00 175.26 178.08 1b3c h LYS 8 N 2.06 0.10 0.00 1.61 2.10 -1.98 1.43 116.57 121.89 1b3c h LYS 8 Ca -0.42 -0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.00 1b3c h LYS 8 Cb 1.24 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 1b3c h LYS 8 CO 0.71 0.07 -1.26 1.79 -2.00 0.00 0.00 179.45 178.75 1b3c h THR 9 N 0.11 1.12 0.00 0.07 1.35 -1.99 -3.48 112.91 110.09 1b3c h THR 9 Ca 0.77 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 1b3c h THR 9 Cb 2.56 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 71.51 1b3c h THR 9 CO -0.29 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1b3c n GLY 10 N 1.42 1.66 3.67 5.82 0.00 0.49 -3.98 105.19 114.27 1b3c n GLY 10 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.94 0.62 -2.74 0.00 4.81 -1.26 -0.74 118.16 115.91 1b3c n LYS 12 Ca 0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.48 1b3c n LYS 12 Cb 0.50 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.60 1b3c n LYS 12 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1b3c n LYS 13 N -0.29 1.13 -0.90 1.64 3.00 -1.26 -4.58 118.16 116.90 1b3c n LYS 13 Ca 0.00 -2.77 -0.36 0.00 -0.00 0.00 0.00 58.31 55.18 1b3c n LYS 13 Cb 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 35.03 34.16 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 -0.14 0.00 -3.77 3.15 -1.04 -1.26 -4.06 114.28 107.16 1b3c n THR 14 Ca 0.07 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.05 61.74 1b3c n THR 14 Cb 0.80 -0.21 -0.09 0.00 -1.82 0.00 0.00 70.33 69.01 1b3c n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b3c h TYR 16 N 4.22 0.00 -3.29 0.00 -1.99 -1.96 -3.42 116.97 110.54 1b3c h TYR 16 Ca -0.29 0.00 -0.74 0.00 2.00 0.00 0.00 58.73 59.70 1b3c h TYR 16 Cb 1.18 0.00 -0.28 0.00 2.00 0.00 0.00 36.73 39.63 1b3c h TYR 16 CO 0.51 0.00 -0.29 0.21 -0.00 0.00 0.00 178.16 178.58 1b3c s LYS 17 N -3.23 2.74 0.83 4.88 2.20 -1.26 -5.07 119.74 120.82 1b3c s LYS 17 Ca 0.05 -1.85 -0.11 0.00 -0.36 0.00 0.00 55.97 53.70 1b3c s LYS 17 Cb 0.10 -4.08 0.09 0.00 -1.51 0.00 0.00 37.83 32.43 1b3c s LYS 17 CO 0.71 -1.25 1.09 -0.51 -0.36 0.00 0.00 175.35 175.04 1b3c s LEU 18 N 1.25 2.60 0.00 5.43 1.43 -1.26 -4.62 118.68 123.52 1b3c s LEU 18 Ca 0.07 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1b3c s LEU 18 Cb -0.26 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 41.83 1b3c s LEU 18 CO -0.00 -2.26 0.00 0.61 0.23 0.00 0.00 176.35 174.92 1b3c n GLY 19 N -1.38 -1.79 3.49 -3.19 0.00 -1.22 -4.76 105.19 96.34 1b3c n GLY 19 Ca 0.08 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 0.28 -3.09 1.61 2.13 -1.26 -3.49 120.64 116.81 1b3c n GLU 20 Ca 0.00 -0.66 -0.45 0.00 0.66 0.00 0.00 57.16 56.71 1b3c n GLU 20 Cb 0.00 -2.71 -0.03 0.00 0.27 0.00 0.00 31.44 28.97 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 6.39 6.50 0.28 4.31 3.84 -1.26 -4.90 114.94 130.10 1b3c s ASN 21 Ca 0.94 -1.98 0.09 0.00 0.21 0.00 0.00 52.86 52.12 1b3c s ASN 21 Cb -0.32 -2.32 0.87 0.00 -0.55 0.00 0.00 41.25 38.93 1b3c s ASN 21 CO 0.23 -0.96 1.29 -0.67 -2.79 0.00 0.00 177.10 174.20 1b3c n ASP 22 N 5.84 0.10 0.11 -4.21 2.03 -1.26 -0.31 116.55 118.84 1b3c n ASP 22 Ca 0.09 1.38 -0.14 0.00 0.52 0.00 0.00 54.79 56.64 1b3c n ASP 22 Cb 0.46 -0.59 -0.09 0.00 -0.72 0.00 0.00 41.12 40.19 1b3c n ASP 22 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1b3c h PHE 23 N 0.00 -1.34 -1.00 -0.67 3.04 -1.96 0.78 116.94 115.79 1b3c h PHE 23 Ca 0.60 0.03 0.19 0.00 3.98 0.00 0.00 57.97 62.77 1b3c h PHE 23 Cb 1.43 0.57 -0.10 0.00 2.56 0.00 0.00 35.95 40.41 1b3c h PHE 23 CO -0.21 -0.53 0.61 0.00 -2.02 0.00 0.00 178.31 176.16 1b3c h ASN 25 N 0.71 0.30 -0.56 0.00 2.35 -0.83 -1.00 115.58 116.56 1b3c h ASN 25 Ca 0.57 -0.11 0.12 0.00 -0.55 0.00 0.00 56.30 56.33 1b3c h ASN 25 Cb 0.95 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 1b3c h ASN 25 CO -0.35 0.33 0.38 0.03 -1.65 0.00 0.00 177.43 176.17 1b3c h ARG 26 N 0.25 0.22 0.11 0.81 3.08 0.79 -0.06 114.38 119.58 1b3c h ARG 26 Ca 0.08 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 1b3c h ARG 26 Cb 0.10 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.13 1b3c h ARG 26 CO -0.01 0.14 -0.86 0.93 -1.07 0.00 0.00 179.97 179.11 1b3c h GLU 27 N 0.23 0.38 0.00 0.04 4.39 -0.92 -3.28 114.58 115.41 1b3c h GLU 27 Ca 0.26 -0.56 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1b3c h GLU 27 Cb 0.73 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1b3c h GLU 27 CO -0.05 1.24 -0.14 0.00 -1.16 0.00 0.00 179.01 178.89 1b3c n LYS 29 N -3.37 1.18 -1.51 0.00 4.81 -0.10 -4.75 118.16 114.41 1b3c n LYS 29 Ca -0.00 -0.27 -0.30 0.00 -0.87 0.00 0.00 58.31 56.87 1b3c n LYS 29 Cb 0.34 -1.24 -0.15 0.00 0.02 0.00 0.00 35.03 34.00 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1b3c n TRP 30 N -0.45 0.56 -0.91 5.64 5.03 -0.92 -4.53 117.44 121.86 1b3c n TRP 30 Ca 0.11 0.15 0.10 0.00 3.03 0.00 0.00 57.50 60.89 1b3c n TRP 30 Cb 0.11 -1.77 -0.02 0.00 -1.03 0.00 0.00 31.31 28.59 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 7.53 -1.42 -2.47 -0.99 4.81 -1.26 -3.99 118.16 120.37 1b3c n LYS 31 Ca 0.60 0.93 -0.39 0.00 -0.87 0.00 0.00 58.31 58.59 1b3c n LYS 31 Cb 0.19 -1.73 -0.03 0.00 0.02 0.00 0.00 35.03 33.48 1b3c n LYS 31 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1b3c s HIS 32 N -1.52 2.39 -0.20 5.64 3.76 -1.26 -4.73 115.29 119.37 1b3c s HIS 32 Ca 0.00 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1b3c s HIS 32 Cb 0.00 -4.59 -0.21 0.00 1.11 0.00 0.00 32.58 28.90 1b3c s HIS 32 CO 0.00 -1.93 0.02 -0.89 -0.85 0.00 0.00 174.74 171.09 1b3c n ILE 33 N 7.00 1.61 0.00 0.60 2.08 -1.26 -5.00 119.36 124.39 1b3c n ILE 33 Ca 0.31 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1b3c n ILE 33 Cb 0.50 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.87 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 2.14 1.31 3.57 7.39 0.00 -1.26 -4.59 105.19 113.75 1b3c n GLY 34 Ca -0.40 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.42 1.92 0.00 -0.02 0.00 -1.26 -3.66 107.32 102.87 1b3c s GLY 35 Ca 0.00 -1.11 0.29 0.00 0.00 0.00 0.00 44.72 43.90 1b3c s GLY 35 CO 0.00 0.64 1.87 -1.14 0.00 0.00 0.00 173.10 174.47 1b3c n SER 36 N 5.05 0.78 -3.54 1.64 3.41 0.10 -4.90 113.62 116.16 1b3c n SER 36 Ca -0.14 -1.02 -0.11 0.00 -0.26 0.00 0.00 58.87 57.34 1b3c n SER 36 Cb 0.52 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.21 -0.40 -0.36 7.33 5.04 -1.12 -4.97 117.35 120.66 1b3c s TYR 37 Ca 0.36 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1b3c s TYR 37 Cb 0.21 0.48 0.19 0.00 0.35 0.00 0.00 41.96 43.19 1b3c s TYR 37 CO 0.41 -0.47 0.73 0.20 -1.34 0.00 0.00 175.55 175.08 1b3c s GLY 38 N -1.69 -1.29 0.17 8.97 0.00 -1.26 -1.30 107.32 110.92 1b3c s GLY 38 Ca -0.00 0.79 0.03 0.00 0.00 0.00 0.00 44.72 45.54 1b3c s GLY 38 CO -0.02 3.83 -0.05 -2.52 0.00 0.00 0.00 173.10 174.34 1b3c s TYR 39 N 2.21 1.29 -0.04 1.90 1.13 -0.76 -3.18 117.35 119.90 1b3c s TYR 39 Ca 0.15 -0.86 -0.30 0.00 -1.41 0.00 0.00 57.07 54.65 1b3c s TYR 39 Cb -0.04 -0.70 -0.03 0.00 -1.10 0.00 0.00 41.96 40.08 1b3c s TYR 39 CO -0.14 -0.03 1.19 0.00 -2.51 0.00 0.00 175.55 174.06 1b3c s TYR 41 N 2.02 1.53 -1.12 0.00 5.04 0.54 -3.38 117.35 121.99 1b3c s TYR 41 Ca 0.56 -0.67 -0.08 0.00 -2.44 0.00 0.00 57.07 54.44 1b3c s TYR 41 Cb -0.25 -1.18 -0.04 0.00 0.35 0.00 0.00 41.96 40.85 1b3c s TYR 41 CO 0.23 -0.40 0.87 0.41 -1.34 0.00 0.00 175.55 175.33 1b3c n GLY 42 N 4.31 -0.92 3.67 8.97 0.00 -1.26 -2.94 105.19 117.02 1b3c n GLY 42 Ca -0.19 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.70 -1.93 0.00 1.61 3.01 -1.26 -4.96 117.46 110.23 1b3c n PHE 43 Ca -0.13 0.53 0.00 0.00 1.01 0.00 0.00 57.45 58.85 1b3c n PHE 43 Cb 0.63 -3.57 0.00 0.00 -0.01 0.00 0.00 39.48 36.53 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 -1.67 1.71 3.66 1.37 0.00 -1.15 -4.04 105.19 105.07 1b3c n GLY 44 Ca -0.12 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.59 2.94 0.19 0.00 5.04 0.20 -3.16 117.35 126.15 1b3c s TYR 46 Ca 0.65 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 54.69 1b3c s TYR 46 Cb -0.29 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 1b3c s TYR 46 CO 0.24 -0.30 0.13 0.00 -1.34 0.00 0.00 175.55 174.28 1b3c s GLU 48 N -3.27 0.68 0.00 0.00 2.02 -0.42 -2.37 118.70 115.34 1b3c s GLU 48 Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1b3c s GLU 48 Cb -0.09 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1b3c s GLU 48 CO 0.23 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1b3c n GLY 49 N 4.47 1.06 3.48 -1.39 0.00 0.11 0.00 105.19 112.92 1b3c n GLY 49 Ca -0.19 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.33 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 2.31 -4.30 0.99 4.32 -1.17 -4.27 117.00 114.87 1b3c n LEU 50 Ca 0.00 0.46 -0.29 0.00 -0.02 0.00 0.00 56.01 56.17 1b3c n LEU 50 Cb 0.00 -1.28 0.27 0.00 -1.62 0.00 0.00 43.42 40.78 1b3c n LEU 50 CO 0.00 -0.67 0.33 -2.65 -1.22 0.00 0.00 177.39 173.17 1b3c n PRO 51 N 8.00 -3.64 0.00 3.23 -0.02 -1.26 -2.23 135.00 139.08 1b3c n PRO 51 Ca 0.39 -1.06 0.10 0.00 -2.02 0.00 0.00 63.50 60.90 1b3c n PRO 51 Cb 0.24 -1.97 0.56 0.00 -0.02 0.00 0.00 33.50 32.31 1b3c n PRO 51 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1b3c n ASP 52 N -4.95 0.00 -0.03 2.55 -0.08 -1.26 -2.48 116.55 110.29 1b3c n ASP 52 Ca 0.08 -0.47 0.11 0.00 -1.51 0.00 0.00 54.79 53.00 1b3c n ASP 52 Cb 0.56 -0.07 0.15 0.00 2.34 0.00 0.00 41.12 44.10 1b3c n ASP 52 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1b3c n SER 53 N -1.07 0.71 -4.91 1.67 2.88 -1.26 -4.90 113.62 106.74 1b3c n SER 53 Ca 0.13 -0.53 -0.32 0.00 -1.33 0.00 0.00 58.87 56.82 1b3c n SER 53 Cb 0.09 0.46 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 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 -2.96 5.35 -0.12 2.46 2.01 -1.04 -5.09 115.64 116.26 1b3c s THR 54 Ca 0.11 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1b3c s THR 54 Cb 0.17 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1b3c s THR 54 CO 0.73 0.19 0.15 -1.58 -0.69 0.00 0.00 174.62 173.42 1b3c s GLN 55 N -2.33 3.49 0.36 4.92 2.00 -1.26 -4.92 119.66 121.93 1b3c s GLN 55 Ca 0.34 -0.11 0.00 0.00 -2.00 0.00 0.00 55.36 53.59 1b3c s GLN 55 Cb -0.13 -3.20 0.00 0.00 0.80 0.00 0.00 33.01 30.48 1b3c s GLN 55 CO 0.24 0.76 0.01 0.25 -0.50 0.00 0.00 175.29 176.05 1b3c n THR 56 N 2.03 0.00 -3.77 -0.34 -2.24 -1.26 -4.57 114.28 104.12 1b3c n THR 56 Ca -0.20 -1.69 -0.33 0.00 -2.27 0.00 0.00 64.05 59.56 1b3c n THR 56 Cb 0.55 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.28 3.55 0.92 4.78 -0.00 0.30 -3.51 118.94 122.69 1b3c s TRP 57 Ca 0.01 0.51 -0.13 0.00 -0.00 0.00 0.00 56.10 56.49 1b3c s TRP 57 Cb -0.00 -1.95 0.14 0.00 -0.00 0.00 0.00 33.47 31.66 1b3c s TRP 57 CO 0.00 0.57 1.14 -1.25 -0.00 0.00 0.00 176.95 177.42 1b3c s PRO 58 N -2.07 1.08 0.66 5.86 0.04 -1.26 -4.25 135.00 135.06 1b3c s PRO 58 Ca 0.32 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.57 1b3c s PRO 58 Cb -0.13 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1b3c s PRO 58 CO 0.20 -2.23 0.94 -0.51 0.04 0.00 0.00 177.00 175.43 1b3c s LEU 59 N -6.04 3.00 0.00 -3.56 1.02 -1.23 -5.08 118.68 106.79 1b3c s LEU 59 Ca 0.64 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.96 1b3c s LEU 59 Cb -0.14 -2.84 0.00 0.00 0.02 0.00 0.00 46.19 43.23 1b3c s LEU 59 CO 0.53 -1.51 0.00 -2.65 0.02 0.00 0.00 176.35 172.74 1b3c n PRO 60 N -2.73 0.99 -0.14 1.29 -0.02 -1.26 -4.32 135.00 128.81 1b3c n PRO 60 Ca 0.09 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1b3c n PRO 60 Cb 0.60 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.80 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 -0.27 0.00 -0.58 2.55 4.21 -2.04 -0.98 115.58 118.46 1b3c h ASN 61 Ca 0.00 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.16 1b3c h ASN 61 Cb 0.00 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.07 1b3c h ASN 61 CO 0.00 0.00 0.08 0.29 -1.29 0.00 0.00 177.43 176.51 1b3c n LYS 62 N -4.06 2.15 -0.14 0.81 4.76 -1.26 -4.93 118.16 115.49 1b3c n LYS 62 Ca 0.17 -1.69 -0.04 0.00 -2.87 0.00 0.00 58.31 53.88 1b3c n LYS 62 Cb 0.97 -2.01 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1b3c n LYS 62 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1b3c n THR 63 N 1.48 0.00 1.41 -0.18 5.66 -0.38 -4.88 114.28 117.39 1b3c n THR 63 Ca 0.43 -0.06 0.11 0.00 -3.05 0.00 0.00 64.05 61.48 1b3c n THR 63 Cb 0.69 -0.94 0.67 0.00 -1.55 0.00 0.00 70.33 69.20 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02