#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 3.86 0.15 3.14 1.01 -1.26 -1.00 116.67 122.56 1b3c s ASP 2 Ca 0.00 -0.72 -0.23 0.00 0.71 0.00 0.00 52.55 52.31 1b3c s ASP 2 Cb 0.00 -0.50 0.08 0.00 1.01 0.00 0.00 42.92 43.51 1b3c s ASP 2 CO 0.00 0.11 1.09 -0.83 0.21 0.00 0.00 175.17 175.75 1b3c s GLY 3 N -2.75 0.09 -0.14 0.21 0.00 -0.99 -4.95 107.32 98.79 1b3c s GLY 3 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 1b3c s GLY 3 CO 0.13 3.36 -0.04 -0.19 0.00 0.00 0.00 173.10 176.36 1b3c s TYR 4 N -2.07 3.02 0.45 1.90 2.02 -1.26 -1.59 117.35 119.83 1b3c s TYR 4 Ca 0.24 -0.20 -0.10 0.00 -0.37 0.00 0.00 57.07 56.64 1b3c s TYR 4 Cb -0.02 -1.91 -0.06 0.00 -0.40 0.00 0.00 41.96 39.57 1b3c s TYR 4 CO 0.04 0.07 0.82 -0.51 -1.57 0.00 0.00 175.55 174.40 1b3c s LEU 5 N 0.07 3.72 0.00 -1.29 1.43 -1.09 0.22 118.68 121.74 1b3c s LEU 5 Ca -0.00 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 1b3c s LEU 5 Cb -0.13 -4.08 0.01 0.00 0.03 0.00 0.00 46.19 42.01 1b3c s LEU 5 CO 0.03 -0.49 0.07 1.33 0.23 0.00 0.00 176.35 177.52 1b3c n VAL 6 N -1.63 0.00 -4.27 -1.59 0.24 -1.26 -4.53 118.33 105.28 1b3c n VAL 6 Ca 0.03 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.34 61.78 1b3c n VAL 6 Cb 0.54 -0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 32.19 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 -2.31 2.21 0.18 7.34 2.02 0.16 -4.92 118.70 123.38 1b3c s GLU 7 Ca 0.06 -2.09 -0.15 0.00 0.02 0.00 0.00 54.97 52.80 1b3c s GLU 7 Cb -0.00 -1.86 0.14 0.00 0.10 0.00 0.00 34.13 32.51 1b3c s GLU 7 CO 0.04 -0.35 1.67 0.87 0.02 0.00 0.00 175.26 177.50 1b3c h LYS 8 N 1.20 0.03 0.00 1.61 1.79 -1.97 0.48 116.57 119.71 1b3c h LYS 8 Ca -0.41 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1b3c h LYS 8 Cb 1.29 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1b3c h LYS 8 CO 0.68 0.02 0.00 1.79 -1.08 0.00 0.00 179.45 180.86 1b3c h THR 9 N 0.04 0.00 0.00 -0.16 1.35 -2.00 -3.45 112.91 108.69 1b3c h THR 9 Ca 0.23 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1b3c h THR 9 Cb 0.34 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1b3c h THR 9 CO -0.44 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.44 1b3c n GLY 10 N -0.56 2.72 3.36 5.82 0.00 0.17 -4.93 105.19 111.77 1b3c n GLY 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.50 1.92 -3.28 0.00 2.85 -1.26 0.38 118.16 113.26 1b3c n LYS 12 Ca 0.14 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.16 1b3c n LYS 12 Cb 0.60 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.90 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 -0.41 0.39 -1.88 -1.58 0.00 -1.26 -4.62 118.16 108.80 1b3c n LYS 13 Ca 0.00 -3.12 -0.37 0.00 0.00 0.00 0.00 58.31 54.82 1b3c n LYS 13 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 35.03 33.57 1b3c n LYS 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1b3c s THR 14 N -0.34 2.30 0.07 3.15 2.01 -1.26 -3.16 115.64 118.42 1b3c s THR 14 Ca 0.34 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 1b3c s THR 14 Cb 0.09 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1b3c s THR 14 CO -0.16 -0.02 0.05 0.00 -0.69 0.00 0.00 174.62 173.80 1b3c n TYR 16 N 0.03 0.03 -2.06 0.00 4.02 -1.26 -4.43 117.16 113.49 1b3c n TYR 16 Ca -0.13 0.01 -0.38 0.00 -0.01 0.00 0.00 57.90 57.39 1b3c n TYR 16 Cb 0.62 -1.00 -0.03 0.00 -0.02 0.00 0.00 39.34 38.90 1b3c n TYR 16 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1b3c n LYS 17 N -3.53 2.34 -1.75 -0.72 4.81 -1.26 -4.94 118.16 113.10 1b3c n LYS 17 Ca -0.48 -2.68 -0.41 0.00 -0.87 0.00 0.00 58.31 53.87 1b3c n LYS 17 Cb 0.96 -3.46 0.01 0.00 0.02 0.00 0.00 35.03 32.56 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 10.00 4.69 0.00 3.14 4.77 -1.26 -4.37 117.00 133.96 1b3c n LEU 18 Ca 0.48 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.62 1b3c n LEU 18 Cb 0.44 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1b3c n LEU 18 CO 0.80 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1b3c n GLY 19 N 0.60 -2.49 2.53 -0.72 0.00 0.24 -4.77 105.19 100.58 1b3c n GLY 19 Ca 0.04 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.90 -0.92 -2.87 1.61 0.00 -1.26 -4.52 120.64 110.76 1b3c n GLU 20 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 57.16 56.76 1b3c n GLU 20 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 31.44 30.05 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 -1.99 6.69 0.35 -1.84 3.84 -1.26 -4.86 114.94 115.87 1b3c s ASN 21 Ca 0.21 -2.14 0.15 0.00 0.21 0.00 0.00 52.86 51.29 1b3c s ASN 21 Cb -0.12 -2.43 1.15 0.00 -0.55 0.00 0.00 41.25 39.31 1b3c s ASN 21 CO 0.31 -1.07 1.58 0.44 -2.79 0.00 0.00 177.10 175.57 1b3c h ASP 22 N 8.64 0.07 -0.45 -4.21 5.19 -1.94 0.32 116.42 124.04 1b3c h ASP 22 Ca 0.20 0.27 0.08 0.00 -0.62 0.00 0.00 57.03 56.95 1b3c h ASP 22 Cb 0.99 0.34 -0.10 0.00 0.18 0.00 0.00 39.33 40.75 1b3c h ASP 22 CO 1.18 -0.41 -0.37 0.15 -3.12 0.00 0.00 179.24 176.67 1b3c h PHE 23 N 0.01 -1.04 0.29 4.55 3.57 -1.99 0.45 116.94 122.78 1b3c h PHE 23 Ca 0.77 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 62.33 1b3c h PHE 23 Cb 1.91 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 41.17 1b3c h PHE 23 CO -0.17 -0.40 -0.19 0.00 -2.23 0.00 0.00 178.31 175.32 1b3c h ASN 25 N -0.46 -0.03 -0.95 0.00 2.35 -0.97 0.22 115.58 115.73 1b3c h ASN 25 Ca -0.03 0.13 0.16 0.00 -0.55 0.00 0.00 56.30 56.02 1b3c h ASN 25 Cb 0.39 0.19 -0.10 0.00 0.05 0.00 0.00 38.32 38.85 1b3c h ASN 25 CO 0.02 -0.03 0.56 -0.09 -1.65 0.00 0.00 177.43 176.24 1b3c h ARG 26 N 0.24 0.73 -0.01 0.81 2.43 0.28 0.43 114.38 119.30 1b3c h ARG 26 Ca 0.36 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 59.24 1b3c h ARG 26 Cb 0.58 -0.17 0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1b3c h ARG 26 CO -0.47 0.49 -0.95 0.93 -1.51 0.00 0.00 179.97 178.46 1b3c h GLU 27 N 0.76 0.66 -0.02 0.20 4.39 -0.38 -3.11 114.58 117.07 1b3c h GLU 27 Ca 0.53 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1b3c h GLU 27 Cb 0.75 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1b3c h GLU 27 CO -0.36 1.28 0.00 0.00 -1.16 0.00 0.00 179.01 178.78 1b3c n LYS 29 N -0.54 0.00 0.00 0.00 4.76 0.14 -4.85 118.16 117.67 1b3c n LYS 29 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1b3c n LYS 29 Cb 0.05 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 1b3c n LYS 29 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1b3c n TRP 30 N -0.16 0.00 -4.26 2.13 5.03 -1.24 -4.31 117.44 114.63 1b3c n TRP 30 Ca 0.00 0.00 -0.24 0.00 3.03 0.00 0.00 57.50 60.29 1b3c n TRP 30 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 31.31 30.20 1b3c n TRP 30 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1b3c s LYS 31 N 0.00 2.21 0.18 -0.99 1.02 -1.26 -5.07 119.74 115.84 1b3c s LYS 31 Ca 0.00 -1.59 -0.32 0.00 0.02 0.00 0.00 55.97 54.08 1b3c s LYS 31 Cb 0.00 -2.06 -0.12 0.00 -0.52 0.00 0.00 37.83 35.13 1b3c s LYS 31 CO 0.00 0.21 1.76 -1.01 -0.92 0.00 0.00 175.35 175.38 1b3c s HIS 32 N -2.43 2.69 -0.15 3.18 3.76 -1.26 -4.88 115.29 116.19 1b3c s HIS 32 Ca 0.34 0.23 0.07 0.00 -0.15 0.00 0.00 55.06 55.56 1b3c s HIS 32 Cb -0.03 -4.15 -0.14 0.00 1.11 0.00 0.00 32.58 29.36 1b3c s HIS 32 CO 0.20 -4.49 -0.04 -0.89 -0.85 0.00 0.00 174.74 168.68 1b3c n ILE 33 N 4.20 0.95 0.00 0.60 -0.00 -1.26 -4.96 119.36 118.89 1b3c n ILE 33 Ca 0.16 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.42 1b3c n ILE 33 Cb 0.36 -0.84 0.00 0.00 -0.00 0.00 0.00 39.64 39.16 1b3c n ILE 33 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1b3c n GLY 34 N 2.38 0.00 2.41 7.39 0.00 -1.26 -4.76 105.19 111.35 1b3c n GLY 34 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.39 3.67 -0.02 0.00 -1.26 -4.78 105.19 102.41 1b3c n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1b3c n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b3c s SER 36 N -2.08 7.03 0.05 1.61 1.04 -1.26 -4.71 113.70 115.39 1b3c s SER 36 Ca 0.00 1.61 -0.31 0.00 0.48 0.00 0.00 55.95 57.73 1b3c s SER 36 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1b3c s SER 36 CO 0.00 -0.68 1.28 -0.47 0.98 0.00 0.00 173.24 174.35 1b3c s TYR 37 N 3.10 3.27 -0.12 5.02 5.04 -1.14 -4.40 117.35 128.11 1b3c s TYR 37 Ca 0.51 1.12 -0.03 0.00 -2.44 0.00 0.00 57.07 56.24 1b3c s TYR 37 Cb -0.20 -3.53 -0.03 0.00 0.35 0.00 0.00 41.96 38.55 1b3c s TYR 37 CO 0.14 -1.76 -0.02 0.20 -1.34 0.00 0.00 175.55 172.77 1b3c s GLY 38 N 1.25 1.78 -0.15 8.97 0.00 -1.26 0.20 107.32 118.11 1b3c s GLY 38 Ca 0.61 -0.81 -0.29 0.00 0.00 0.00 0.00 44.72 44.22 1b3c s GLY 38 CO 0.28 -0.32 0.90 -2.52 0.00 0.00 0.00 173.10 171.44 1b3c s TYR 39 N -0.25 -0.49 -0.05 1.90 1.13 -0.08 -4.61 117.35 114.89 1b3c s TYR 39 Ca 0.05 0.93 -0.30 0.00 -1.41 0.00 0.00 57.07 56.34 1b3c s TYR 39 Cb -0.13 0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 41.13 1b3c s TYR 39 CO 0.02 -0.40 1.05 0.00 -2.51 0.00 0.00 175.55 173.71 1b3c s TYR 41 N 1.66 -0.42 -0.23 0.00 5.04 -0.83 0.79 117.35 123.35 1b3c s TYR 41 Ca 0.52 0.96 -0.00 0.00 -2.44 0.00 0.00 57.07 56.10 1b3c s TYR 41 Cb -0.21 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1b3c s TYR 41 CO 0.23 -0.28 0.05 0.41 -1.34 0.00 0.00 175.55 174.62 1b3c n GLY 42 N 4.34 0.40 3.60 8.97 0.00 -1.26 -3.69 105.19 117.54 1b3c n GLY 42 Ca -0.23 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.65 -2.03 -3.63 1.61 3.72 -1.26 -4.95 117.46 107.27 1b3c n PHE 43 Ca -0.02 0.71 -0.03 0.00 -0.05 0.00 0.00 57.45 58.06 1b3c n PHE 43 Cb 0.52 -4.02 -0.03 0.00 -0.94 0.00 0.00 39.48 35.02 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 -3.86 -0.16 0.05 1.37 0.00 -1.24 -3.82 107.32 99.66 1b3c s GLY 44 Ca 0.26 2.04 -0.31 0.00 0.00 0.00 0.00 44.72 46.71 1b3c s GLY 44 CO 0.81 0.73 1.30 0.00 0.00 0.00 0.00 173.10 175.95 1b3c s TYR 46 N 1.47 1.01 0.30 0.00 5.04 -0.85 -2.68 117.35 121.65 1b3c s TYR 46 Ca 0.61 -0.38 0.10 0.00 -2.44 0.00 0.00 57.07 54.96 1b3c s TYR 46 Cb -0.32 -0.91 -0.05 0.00 0.35 0.00 0.00 41.96 41.04 1b3c s TYR 46 CO 0.28 -0.33 -0.03 0.00 -1.34 0.00 0.00 175.55 174.14 1b3c n GLU 48 N -0.88 3.29 0.00 0.00 2.13 0.55 -2.34 120.64 123.38 1b3c n GLU 48 Ca -0.05 -4.80 0.00 0.00 0.66 0.00 0.00 57.16 52.97 1b3c n GLU 48 Cb 0.60 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1b3c n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b3c n GLY 49 N 0.06 0.00 3.45 8.31 0.00 -0.17 -2.88 105.19 113.96 1b3c n GLY 49 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 5.20 1.03 0.99 1.43 -1.20 -4.23 118.68 121.89 1b3c s LEU 50 Ca 0.00 -0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1b3c s LEU 50 Cb 0.00 -2.16 0.18 0.00 0.03 0.00 0.00 46.19 44.24 1b3c s LEU 50 CO 0.00 -0.48 0.91 -2.65 0.23 0.00 0.00 176.35 174.35 1b3c n PRO 51 N 5.17 -1.27 0.21 1.29 -0.02 -1.26 -4.86 135.00 134.26 1b3c n PRO 51 Ca -0.11 -0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.12 1b3c n PRO 51 Cb 0.46 -2.18 0.42 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.16 0.00 0.32 2.55 1.82 -2.02 -2.62 116.42 114.31 1b3c h ASP 52 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1b3c h ASP 52 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1b3c h ASP 52 CO 0.43 0.30 0.00 -1.20 -1.61 0.00 0.00 179.24 177.15 1b3c n SER 53 N -3.53 0.00 -4.95 2.28 7.64 -1.26 -4.82 113.62 108.98 1b3c n SER 53 Ca -0.00 -0.42 -0.23 0.00 1.01 0.00 0.00 58.87 59.23 1b3c n SER 53 Cb 0.45 -0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.48 1b3c n SER 53 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b3c s THR 54 N -2.35 4.00 -0.20 0.44 2.01 -0.99 -5.05 115.64 113.50 1b3c s THR 54 Ca 0.33 -0.51 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 1b3c s THR 54 Cb 0.19 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 1b3c s THR 54 CO 0.39 -0.33 0.70 -1.10 -0.69 0.00 0.00 174.62 173.59 1b3c s GLN 55 N -4.54 4.22 -0.05 4.92 -1.52 -1.26 -4.95 119.66 116.47 1b3c s GLN 55 Ca 0.48 0.75 0.03 0.00 -1.95 0.00 0.00 55.36 54.67 1b3c s GLN 55 Cb -0.10 -3.59 0.00 0.00 -0.22 0.00 0.00 33.01 29.10 1b3c s GLN 55 CO 0.38 -0.31 -0.14 0.95 -0.25 0.00 0.00 175.29 175.92 1b3c s THR 56 N 2.13 1.21 0.57 -0.19 -4.23 -1.26 -4.49 115.64 109.38 1b3c s THR 56 Ca 0.32 -0.57 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 1b3c s THR 56 Cb -0.16 -1.06 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1b3c s THR 56 CO 0.10 0.36 1.16 1.87 -0.54 0.00 0.00 174.62 177.57 1b3c n TRP 57 N 3.38 1.54 -1.39 3.99 -0.00 0.60 -4.31 117.44 121.25 1b3c n TRP 57 Ca -0.20 0.44 -0.29 0.00 -0.00 0.00 0.00 57.50 57.45 1b3c n TRP 57 Cb 0.53 -2.25 0.19 0.00 -0.00 0.00 0.00 31.31 29.78 1b3c n TRP 57 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1b3c s PRO 58 N -2.83 0.08 0.81 5.87 0.04 -1.26 -4.33 135.00 133.39 1b3c s PRO 58 Ca 0.74 0.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 1b3c s PRO 58 Cb -0.43 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1b3c s PRO 58 CO 0.48 -2.87 1.14 -0.51 0.04 0.00 0.00 177.00 175.27 1b3c s LEU 59 N -6.40 2.78 0.00 -3.56 1.02 -1.26 -5.07 118.68 106.19 1b3c s LEU 59 Ca 0.68 0.26 0.00 0.00 0.02 0.00 0.00 54.13 55.10 1b3c s LEU 59 Cb -0.12 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.47 1b3c s LEU 59 CO 0.55 -2.08 0.00 -2.65 0.02 0.00 0.00 176.35 172.19 1b3c n PRO 60 N -3.24 -0.08 0.06 1.29 -0.02 -1.26 -4.51 135.00 127.24 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 0.60 0.00 0.66 0.00 -0.02 0.00 0.00 33.50 34.74 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 -0.85 0.00 -0.19 2.55 4.21 -2.05 -2.11 115.58 117.14 1b3c h ASN 61 Ca 0.00 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.15 1b3c h ASN 61 Cb 0.00 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.14 1b3c h ASN 61 CO 0.00 0.00 0.79 0.29 -1.29 0.00 0.00 177.43 177.22 1b3c n LYS 62 N -3.46 2.55 -0.74 0.81 5.02 -1.26 -4.94 118.16 116.15 1b3c n LYS 62 Ca 0.09 -1.55 -0.30 0.00 -2.02 0.00 0.00 58.31 54.54 1b3c n LYS 62 Cb 0.81 -2.23 0.25 0.00 -0.02 0.00 0.00 35.03 33.85 1b3c n LYS 62 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1b3c s THR 63 N 0.75 1.57 -2.99 -0.18 -1.32 -0.80 -4.87 115.64 107.81 1b3c s THR 63 Ca 0.66 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.38 1b3c s THR 63 Cb 0.29 -2.26 0.20 0.00 -1.51 0.00 0.00 72.50 69.22 1b3c s THR 63 CO -0.05 0.00 1.27 0.00 -2.21 0.00 0.00 174.62 173.63