#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 4.81 0.23 3.14 1.01 -1.26 0.87 116.67 125.47 1b3c s ASP 2 Ca 0.00 -0.26 -0.15 0.00 0.71 0.00 0.00 52.55 52.85 1b3c s ASP 2 Cb 0.00 -1.07 0.05 0.00 1.01 0.00 0.00 42.92 42.91 1b3c s ASP 2 CO 0.00 0.17 0.73 0.61 0.21 0.00 0.00 175.17 176.89 1b3c n GLY 3 N 0.53 0.95 3.58 0.21 0.00 -0.06 -4.98 105.19 105.42 1b3c n GLY 3 Ca -0.11 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.20 2.72 0.61 1.61 2.02 -1.26 -1.45 117.35 118.39 1b3c s TYR 4 Ca 0.16 -0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1b3c s TYR 4 Cb -0.03 -1.38 0.05 0.00 -0.40 0.00 0.00 41.96 40.20 1b3c s TYR 4 CO 0.07 0.46 0.87 -0.51 -1.57 0.00 0.00 175.55 174.87 1b3c s LEU 5 N -2.49 3.09 0.00 -1.29 1.43 -1.22 -0.37 118.68 117.83 1b3c s LEU 5 Ca 0.23 0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1b3c s LEU 5 Cb -0.10 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 1b3c s LEU 5 CO 0.15 -1.33 0.14 1.33 0.23 0.00 0.00 176.35 176.86 1b3c n VAL 6 N -2.57 0.00 -2.98 -1.59 0.24 -1.26 -4.26 118.33 105.91 1b3c n VAL 6 Ca 0.08 -2.39 -0.21 0.00 -2.04 0.00 0.00 64.34 59.79 1b3c n VAL 6 Cb 0.60 0.84 0.08 0.00 -1.47 0.00 0.00 33.84 33.89 1b3c n VAL 6 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1b3c n GLU 7 N -0.94 0.49 -0.14 7.34 0.00 0.29 -4.81 120.64 122.87 1b3c n GLU 7 Ca -0.07 -3.17 -0.05 0.00 0.00 0.00 0.00 57.16 53.88 1b3c n GLU 7 Cb 0.62 -0.31 0.01 0.00 0.00 0.00 0.00 31.44 31.76 1b3c n GLU 7 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1b3c h LYS 8 N 0.00 -0.14 0.00 5.31 3.11 -1.97 0.39 116.57 123.27 1b3c h LYS 8 Ca -0.29 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1b3c h LYS 8 Cb 1.28 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1b3c h LYS 8 CO 0.39 -0.09 0.00 0.25 -2.81 0.00 0.00 179.45 177.19 1b3c n THR 9 N -5.40 0.69 0.00 1.00 -2.24 -1.26 -4.85 114.28 102.21 1b3c n THR 9 Ca 0.03 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1b3c n THR 9 Cb 0.31 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.71 1.39 3.79 3.38 0.00 0.14 -4.68 105.19 109.92 1b3c n GLY 10 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 1.48 -0.72 -2.76 0.00 -0.00 -1.26 0.11 118.16 115.00 1b3c n LYS 12 Ca -0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.18 1b3c n LYS 12 Cb 0.49 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.56 1b3c n LYS 12 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1b3c n LYS 13 N -1.33 0.70 -1.15 -1.58 2.85 -1.26 -4.39 118.16 111.99 1b3c n LYS 13 Ca 0.00 -1.85 -0.36 0.00 -1.05 0.00 0.00 58.31 55.05 1b3c n LYS 13 Cb 0.00 -1.47 0.07 0.00 -0.65 0.00 0.00 35.03 32.99 1b3c n LYS 13 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1b3c n THR 14 N 2.05 1.23 -4.79 0.58 -1.04 -1.26 -3.95 114.28 107.11 1b3c n THR 14 Ca 0.12 -0.37 -0.25 0.00 -2.04 0.00 0.00 64.05 61.51 1b3c n THR 14 Cb 0.61 -0.63 -0.15 0.00 -1.82 0.00 0.00 70.33 68.34 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 5.58 0.41 -2.66 0.00 -1.99 -1.96 -3.40 116.97 112.94 1b3c h TYR 16 Ca -0.37 -0.21 -0.66 0.00 2.00 0.00 0.00 58.73 59.48 1b3c h TYR 16 Cb 1.15 -0.05 -0.16 0.00 2.00 0.00 0.00 36.73 39.67 1b3c h TYR 16 CO 0.42 1.01 0.51 0.21 -0.00 0.00 0.00 178.16 180.31 1b3c s LYS 17 N -3.30 3.19 0.74 4.88 2.20 -1.26 -5.03 119.74 121.16 1b3c s LYS 17 Ca -0.04 -1.13 -0.11 0.00 -0.36 0.00 0.00 55.97 54.33 1b3c s LYS 17 Cb 0.10 -4.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1b3c s LYS 17 CO 0.84 -1.75 1.08 -0.51 -0.36 0.00 0.00 175.35 174.64 1b3c s LEU 18 N 3.49 2.90 0.00 5.43 1.43 -1.26 -4.67 118.68 126.00 1b3c s LEU 18 Ca 0.22 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1b3c s LEU 18 Cb -0.16 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1b3c s LEU 18 CO 0.05 -1.68 0.00 0.61 0.23 0.00 0.00 176.35 175.57 1b3c n GLY 19 N -2.03 -1.75 3.49 -3.19 0.00 -1.22 -4.77 105.19 95.72 1b3c n GLY 19 Ca 0.07 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 0.27 -2.40 1.61 2.13 -1.26 -1.82 120.64 119.18 1b3c n GLU 20 Ca 0.00 -0.63 -0.43 0.00 0.66 0.00 0.00 57.16 56.76 1b3c n GLU 20 Cb 0.00 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.05 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 13.56 4.71 -0.50 4.31 2.85 -1.26 -4.78 115.26 134.15 1b3c n ASN 21 Ca 0.48 -2.92 0.42 0.00 -0.11 0.00 0.00 54.58 52.45 1b3c n ASN 21 Cb 0.35 -1.69 0.73 0.00 1.24 0.00 0.00 39.78 40.40 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 7.04 0.12 0.33 1.20 1.82 -1.90 0.29 116.42 125.31 1b3c h ASP 22 Ca 0.46 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.15 1b3c h ASP 22 Cb 0.80 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 1b3c h ASP 22 CO 1.55 -0.06 -0.36 0.15 -1.61 0.00 0.00 179.24 178.91 1b3c h PHE 23 N 0.06 -1.00 -0.47 0.28 3.57 -1.99 0.19 116.94 117.58 1b3c h PHE 23 Ca 0.79 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.26 1b3c h PHE 23 Cb 2.87 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 41.98 1b3c h PHE 23 CO -0.00 -0.47 0.11 0.00 -2.23 0.00 0.00 178.31 175.72 1b3c h ASN 25 N 0.68 0.12 0.56 0.00 4.21 -0.68 1.60 115.58 122.07 1b3c h ASN 25 Ca 0.15 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 1b3c h ASN 25 Cb 0.26 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1b3c h ASN 25 CO -0.00 0.10 -0.37 0.03 -1.29 0.00 0.00 177.43 175.90 1b3c h ARG 26 N 0.31 -0.86 -0.80 0.81 3.08 -0.13 -1.36 114.38 115.42 1b3c h ARG 26 Ca 0.22 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1b3c h ARG 26 Cb 0.24 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1b3c h ARG 26 CO -0.24 -0.57 0.38 1.49 -1.07 0.00 0.00 179.97 179.95 1b3c h GLU 27 N -0.89 1.16 -0.92 0.04 4.81 -1.18 -0.89 114.58 116.71 1b3c h GLU 27 Ca -0.06 -0.17 0.13 0.00 -0.13 0.00 0.00 59.36 59.13 1b3c h GLU 27 Cb 0.73 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 1b3c h GLU 27 CO 0.05 0.90 0.53 0.00 -0.73 0.00 0.00 179.01 179.76 1b3c n LYS 29 N -4.75 3.40 -0.85 0.00 2.85 -0.55 -4.85 118.16 113.41 1b3c n LYS 29 Ca 0.18 -3.97 -0.09 0.00 -1.05 0.00 0.00 58.31 53.38 1b3c n LYS 29 Cb 0.40 -2.28 -0.13 0.00 -0.65 0.00 0.00 35.03 32.37 1b3c n LYS 29 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1b3c n TRP 30 N -0.76 0.00 -3.40 5.58 -0.00 -0.39 -4.79 117.44 113.69 1b3c n TRP 30 Ca 0.48 -1.31 0.00 0.00 -0.00 0.00 0.00 57.50 56.66 1b3c n TRP 30 Cb 0.90 -1.34 0.00 0.00 -0.00 0.00 0.00 31.31 30.87 1b3c n TRP 30 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1b3c n LYS 31 N 2.37 -1.47 -3.11 -2.67 4.81 -1.26 -5.06 118.16 111.77 1b3c n LYS 31 Ca 0.33 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 57.32 1b3c n LYS 31 Cb 0.79 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.82 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 -2.99 3.42 0.00 5.64 3.76 -1.26 -4.65 115.29 119.21 1b3c s HIS 32 Ca 0.00 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.22 1b3c s HIS 32 Cb 0.00 -4.08 0.00 0.00 1.11 0.00 0.00 32.58 29.61 1b3c s HIS 32 CO 0.00 -1.26 0.00 -0.89 -0.85 0.00 0.00 174.74 171.74 1b3c n ILE 33 N 4.77 0.00 0.00 0.60 2.08 -1.26 -5.10 119.36 120.45 1b3c n ILE 33 Ca 0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.51 1b3c n ILE 33 Cb 0.48 -0.70 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 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 2.52 -2.21 2.14 7.39 0.00 -1.26 -4.66 105.19 109.12 1b3c n GLY 34 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 -0.98 0.24 -0.02 0.00 -1.26 -5.02 105.19 98.16 1b3c n GLY 35 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.44 2.05 -3.64 1.61 3.41 -1.10 -5.04 113.62 110.47 1b3c n SER 36 Ca 0.05 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1b3c n SER 36 Cb 0.23 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.34 -0.87 -0.01 7.33 6.14 -1.24 -4.97 117.35 121.39 1b3c s TYR 37 Ca -0.24 1.88 0.00 0.00 0.64 0.00 0.00 57.07 59.35 1b3c s TYR 37 Cb 0.08 0.46 0.01 0.00 0.42 0.00 0.00 41.96 42.93 1b3c s TYR 37 CO 0.36 -0.43 0.00 0.20 0.64 0.00 0.00 175.55 176.33 1b3c s GLY 38 N 1.07 0.09 -0.17 8.97 0.00 -1.26 0.49 107.32 116.51 1b3c s GLY 38 Ca -0.05 0.08 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 1b3c s GLY 38 CO -0.11 0.26 0.96 -2.52 0.00 0.00 0.00 173.10 171.68 1b3c s TYR 39 N 0.43 -0.43 0.35 1.90 1.13 -0.50 -4.55 117.35 115.69 1b3c s TYR 39 Ca -0.04 0.79 -0.21 0.00 -1.41 0.00 0.00 57.07 56.21 1b3c s TYR 39 Cb -0.06 0.43 -0.10 0.00 -1.10 0.00 0.00 41.96 41.13 1b3c s TYR 39 CO -0.01 -0.36 0.87 0.00 -2.51 0.00 0.00 175.55 173.54 1b3c s TYR 41 N -1.91 -0.27 -1.49 0.00 5.04 0.89 -3.40 117.35 116.22 1b3c s TYR 41 Ca 0.55 0.67 -0.07 0.00 -2.44 0.00 0.00 57.07 55.77 1b3c s TYR 41 Cb -0.13 0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.30 1b3c s TYR 41 CO 0.18 -0.16 0.66 0.41 -1.34 0.00 0.00 175.55 175.29 1b3c n GLY 42 N 3.48 -0.34 3.43 8.97 0.00 -1.26 -1.77 105.19 117.70 1b3c n GLY 42 Ca -0.18 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.44 -2.24 -3.58 1.61 3.72 -1.26 -4.96 117.46 106.32 1b3c n PHE 43 Ca -0.15 0.71 -0.01 0.00 -0.05 0.00 0.00 57.45 57.95 1b3c n PHE 43 Cb 0.61 -3.90 -0.06 0.00 -0.94 0.00 0.00 39.48 35.19 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 -3.47 -0.01 -0.03 1.37 0.00 -0.73 -3.80 107.32 100.65 1b3c s GLY 44 Ca 0.44 3.16 -0.30 0.00 0.00 0.00 0.00 44.72 48.02 1b3c s GLY 44 CO 0.79 2.79 1.39 0.00 0.00 0.00 0.00 173.10 178.06 1b3c s TYR 46 N 2.61 2.52 0.01 0.00 5.04 -0.39 -3.40 117.35 123.73 1b3c s TYR 46 Ca 0.63 -0.27 -0.12 0.00 -2.44 0.00 0.00 57.07 54.87 1b3c s TYR 46 Cb -0.30 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 40.76 1b3c s TYR 46 CO 0.25 0.47 0.25 0.00 -1.34 0.00 0.00 175.55 175.18 1b3c s GLU 48 N -1.70 1.83 0.00 0.00 2.02 0.18 -0.88 118.70 120.15 1b3c s GLU 48 Ca -0.11 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1b3c s GLU 48 Cb -0.05 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1b3c s GLU 48 CO 0.01 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1b3c n GLY 49 N -0.54 0.91 3.45 -1.39 0.00 0.25 -2.72 105.19 105.15 1b3c n GLY 49 Ca -0.07 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.53 5.04 0.77 0.99 1.43 -1.23 -4.13 118.68 121.01 1b3c s LEU 50 Ca 0.00 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.08 1b3c s LEU 50 Cb 0.00 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1b3c s LEU 50 CO 0.00 -0.68 0.56 -2.65 0.23 0.00 0.00 176.35 173.81 1b3c n PRO 51 N 5.69 0.20 0.21 1.29 -0.02 -1.26 -4.84 135.00 136.27 1b3c n PRO 51 Ca -0.08 0.11 0.06 0.00 -2.02 0.00 0.00 63.50 61.57 1b3c n PRO 51 Cb 0.46 -1.89 0.53 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.60 0.07 -0.13 2.55 3.32 -2.00 -1.37 116.42 118.26 1b3c h ASP 52 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1b3c h ASP 52 Cb 1.33 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1b3c h ASP 52 CO 0.41 0.15 0.00 -1.54 -1.72 0.00 0.00 179.24 176.55 1b3c n SER 53 N -4.41 1.64 -4.95 6.45 3.41 -1.26 -4.86 113.62 109.65 1b3c n SER 53 Ca -0.02 -2.14 -0.25 0.00 -0.26 0.00 0.00 58.87 56.20 1b3c n SER 53 Cb 0.17 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1b3c s THR 54 N -1.48 5.29 0.14 6.66 2.01 -0.52 -5.09 115.64 122.65 1b3c s THR 54 Ca 0.11 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 1b3c s THR 54 Cb 0.08 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1b3c s THR 54 CO 0.04 -0.14 0.72 -1.10 -0.69 0.00 0.00 174.62 173.45 1b3c s GLN 55 N -3.38 4.47 0.29 4.92 -1.52 -1.26 -4.97 119.66 118.20 1b3c s GLN 55 Ca 0.34 1.05 -0.11 0.00 -1.95 0.00 0.00 55.36 54.69 1b3c s GLN 55 Cb -0.11 -3.26 0.01 0.00 -0.22 0.00 0.00 33.01 29.43 1b3c s GLN 55 CO 0.28 0.58 0.52 0.95 -0.25 0.00 0.00 175.29 177.38 1b3c s THR 56 N -1.11 0.00 0.15 -0.19 -4.23 -1.26 -4.79 115.64 104.21 1b3c s THR 56 Ca 0.34 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1b3c s THR 56 Cb -0.22 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 1b3c s THR 56 CO 0.24 0.00 0.37 0.86 -0.54 0.00 0.00 174.62 175.55 1b3c s TRP 57 N -3.58 3.48 1.00 3.99 -0.00 0.50 -3.98 118.94 120.34 1b3c s TRP 57 Ca 0.23 0.50 -0.15 0.00 -0.00 0.00 0.00 56.10 56.68 1b3c s TRP 57 Cb -0.01 -1.97 0.19 0.00 -0.00 0.00 0.00 33.47 31.68 1b3c s TRP 57 CO 0.12 0.43 1.18 -1.25 -0.00 0.00 0.00 176.95 177.43 1b3c s PRO 58 N -2.77 0.37 0.88 5.86 0.04 -1.26 -4.23 135.00 133.89 1b3c s PRO 58 Ca 0.40 0.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.33 1b3c s PRO 58 Cb -0.12 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.76 1b3c s PRO 58 CO 0.26 -2.67 1.11 -0.51 0.04 0.00 0.00 177.00 175.23 1b3c s LEU 59 N -6.24 2.21 0.00 -3.56 2.01 -1.26 -5.04 118.68 106.81 1b3c s LEU 59 Ca 0.68 1.22 0.00 0.00 0.01 0.00 0.00 54.13 56.04 1b3c s LEU 59 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 46.19 42.45 1b3c s LEU 59 CO 0.54 -2.44 0.00 -2.65 1.01 0.00 0.00 176.35 172.81 1b3c n PRO 60 N -3.73 1.35 -0.07 1.29 -0.02 -1.26 -4.59 135.00 127.98 1b3c n PRO 60 Ca 0.07 0.00 0.25 0.00 -2.02 0.00 0.00 63.50 61.80 1b3c n PRO 60 Cb 0.57 0.00 0.63 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 -0.03 0.00 -3.58 2.55 4.21 -2.04 -3.33 115.58 113.36 1b3c h ASN 61 Ca 0.00 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.83 1b3c h ASN 61 Cb 0.00 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 37.02 1b3c h ASN 61 CO 0.00 0.00 -0.17 -0.75 -1.29 0.00 0.00 177.43 175.22 1b3c s LYS 62 N -4.56 3.29 0.00 0.81 2.47 -1.26 -5.06 119.74 115.42 1b3c s LYS 62 Ca -0.04 -0.57 0.00 0.00 -1.56 0.00 0.00 55.97 53.81 1b3c s LYS 62 Cb 0.15 -3.91 0.00 0.00 -1.46 0.00 0.00 37.83 32.62 1b3c s LYS 62 CO 0.53 -0.77 0.00 -2.37 0.16 0.00 0.00 175.35 172.90 1b3c n THR 63 N 5.43 0.00 0.67 3.43 5.66 -1.25 -4.60 114.28 123.62 1b3c n THR 63 Ca -0.07 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.99 1b3c n THR 63 Cb 0.48 -1.70 0.32 0.00 -1.55 0.00 0.00 70.33 67.88 1b3c n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02