#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfd n ARG 2 N 0.00 -2.06 0.00 0.00 1.74 -1.26 -4.85 116.66 110.23 1dfd n ARG 2 Ca 0.00 1.89 0.00 0.00 -0.77 0.00 0.00 57.85 58.97 1dfd n ARG 2 Cb 0.00 -4.71 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1dfd n ARG 2 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1dfd n LYS 3 N -0.15 3.71 -3.78 5.56 3.00 0.24 -4.83 118.16 121.91 1dfd n LYS 3 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.42 1dfd n LYS 3 Cb 0.28 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.32 1dfd n LYS 3 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1dfd n PHE 4 N 0.00 -0.21 -4.04 5.64 -1.74 -1.25 0.45 117.46 116.31 1dfd n PHE 4 Ca 0.00 -0.56 0.04 0.00 -0.56 0.00 0.00 57.45 56.37 1dfd n PHE 4 Cb 0.00 0.25 0.01 0.00 1.52 0.00 0.00 39.48 41.25 1dfd n PHE 4 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1dfd n TYR 5 N -0.84 -0.01 -4.02 2.97 0.18 0.14 -4.65 117.16 110.92 1dfd n TYR 5 Ca 0.05 -0.41 -0.08 0.00 1.88 0.00 0.00 57.90 59.34 1dfd n TYR 5 Cb 0.51 0.17 -0.09 0.00 -0.38 0.00 0.00 39.34 39.56 1dfd n TYR 5 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1dfd s VAL 6 N -2.00 0.18 -0.82 -3.48 1.01 -1.26 -0.92 120.40 113.10 1dfd s VAL 6 Ca 0.27 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1dfd s VAL 6 Cb -0.00 -1.55 0.21 0.00 0.00 0.00 0.00 36.38 35.03 1dfd s VAL 6 CO -0.02 -0.80 0.69 0.47 0.00 0.00 0.00 175.10 175.44 1dfd n ASP 7 N 0.02 3.79 0.07 3.32 8.00 -0.87 -4.76 116.55 126.11 1dfd n ASP 7 Ca -0.13 -3.19 0.15 0.00 0.71 0.00 0.00 54.79 52.33 1dfd n ASP 7 Cb 0.62 -0.92 0.32 0.00 -0.02 0.00 0.00 41.12 41.11 1dfd n ASP 7 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1dfd h GLN 8 N 5.63 0.00 -0.89 -1.24 -0.00 -1.87 0.26 115.11 117.00 1dfd h GLN 8 Ca 0.16 0.00 0.20 0.00 -0.00 0.00 0.00 58.65 59.01 1dfd h GLN 8 Cb 0.77 0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 28.14 1dfd h GLN 8 CO 0.82 0.00 0.41 0.22 -0.00 0.00 0.00 178.83 180.27 1dfd h ASP 9 N 0.00 0.39 1.16 0.06 1.82 -1.90 0.85 116.42 118.79 1dfd h ASP 9 Ca 0.23 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1dfd h ASP 9 Cb 2.24 0.10 0.00 0.00 0.68 0.00 0.00 39.33 42.35 1dfd h ASP 9 CO -0.00 0.05 -0.30 1.21 -1.61 0.00 0.00 179.24 178.59 1dfd n GLU 10 N -5.00 0.26 -1.72 0.28 4.07 0.91 -4.87 120.64 114.57 1dfd n GLU 10 Ca 0.21 0.14 -0.42 0.00 -0.06 0.00 0.00 57.16 57.03 1dfd n GLU 10 Cb 0.60 -1.73 -0.01 0.00 -0.06 0.00 0.00 31.44 30.25 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1dfd n ILE 12 N 0.43 1.33 0.00 0.00 -6.64 -1.26 -5.02 119.36 108.20 1dfd n ILE 12 Ca 0.04 -0.70 0.00 0.00 -1.77 0.00 0.00 62.75 60.32 1dfd n ILE 12 Cb 0.37 -0.81 0.00 0.00 -1.44 0.00 0.00 39.64 37.75 1dfd n ILE 12 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dfd n ALA 13 N -2.89 0.00 -1.21 -1.28 0.00 -1.26 -5.11 120.51 108.76 1dfd n ALA 13 Ca -0.35 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 1dfd n ALA 13 Cb 1.06 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.54 1dfd n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfd n GLU 15 N 0.96 1.73 -0.24 0.00 0.28 -1.26 -4.78 120.64 117.32 1dfd n GLU 15 Ca 0.07 -2.77 -0.06 0.00 -0.16 0.00 0.00 57.16 54.24 1dfd n GLU 15 Cb 0.50 -1.62 -0.01 0.00 1.43 0.00 0.00 31.44 31.75 1dfd n GLU 15 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1dfd h SER 16 N 0.60 -1.36 -0.62 -1.84 0.87 -1.90 0.40 113.55 109.70 1dfd h SER 16 Ca 0.02 0.25 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 1dfd h SER 16 Cb 1.15 0.65 -0.07 0.00 -0.44 0.00 0.00 62.40 63.69 1dfd h SER 16 CO 0.08 -0.31 0.26 0.00 -0.53 0.00 0.00 176.83 176.33 1dfd h VAL 18 N 0.46 0.40 0.03 0.00 2.07 -0.50 0.21 116.25 118.92 1dfd h VAL 18 Ca 0.31 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.52 1dfd h VAL 18 Cb 0.35 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1dfd h VAL 18 CO -0.28 0.00 -1.74 -0.33 0.02 0.00 0.00 177.57 175.24 1dfd h GLU 19 N 0.00 0.06 -0.31 1.57 4.39 0.37 -3.02 114.58 117.64 1dfd h GLU 19 Ca 0.24 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1dfd h GLU 19 Cb 1.23 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1dfd h GLU 19 CO -0.00 0.66 0.00 -0.89 -1.16 0.00 0.00 179.01 177.62 1dfd n ILE 20 N -3.15 0.31 -2.70 3.13 -0.00 0.51 -4.18 119.36 113.28 1dfd n ILE 20 Ca -0.19 -0.25 -0.06 0.00 -0.00 0.00 0.00 62.75 62.25 1dfd n ILE 20 Cb 1.05 0.01 0.08 0.00 -0.00 0.00 0.00 39.64 40.78 1dfd n ILE 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1dfd n ALA 21 N 0.03 -2.31 -2.16 -1.39 0.00 0.03 -4.19 120.51 110.52 1dfd n ALA 21 Ca 0.06 -0.88 -0.31 0.00 0.00 0.00 0.00 53.44 52.32 1dfd n ALA 21 Cb 0.21 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.37 1dfd n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1dfd s PRO 22 N 0.31 2.77 0.00 0.00 0.04 -1.14 -2.03 135.00 134.95 1dfd s PRO 22 Ca 0.26 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1dfd s PRO 22 Cb 0.25 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.54 1dfd s PRO 22 CO -0.15 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 173.80 1dfd n GLY 23 N 6.08 0.67 0.04 0.56 0.00 -1.26 -4.91 105.19 106.37 1dfd n GLY 23 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 1dfd n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfd n ALA 24 N 0.00 1.82 -2.52 4.61 0.00 -0.97 -4.19 120.51 119.27 1dfd n ALA 24 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 1dfd n ALA 24 Cb 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.44 1dfd n ALA 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1dfd s PHE 25 N -2.17 2.78 -0.20 0.00 2.19 -0.86 0.13 117.98 119.85 1dfd s PHE 25 Ca -0.04 -0.10 -0.30 0.00 0.33 0.00 0.00 56.93 56.83 1dfd s PHE 25 Cb 0.02 -1.64 0.15 0.00 -1.31 0.00 0.00 43.02 40.23 1dfd s PHE 25 CO 0.28 0.25 1.10 0.00 1.83 0.00 0.00 175.22 178.68 1dfd s ALA 26 N -0.79 -1.99 0.50 11.12 0.00 -0.65 -4.62 121.76 125.34 1dfd s ALA 26 Ca 0.12 1.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.64 1dfd s ALA 26 Cb -0.11 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 1dfd s ALA 26 CO 0.02 -0.29 0.91 -1.64 0.00 0.00 0.00 175.76 174.76 1dfd s MET 27 N -1.04 3.77 0.28 0.00 1.00 -1.26 0.14 119.30 122.19 1dfd s MET 27 Ca 0.01 0.67 0.11 0.00 0.00 0.00 0.00 55.69 56.48 1dfd s MET 27 Cb -0.01 -2.23 -0.05 0.00 0.00 0.00 0.00 34.83 32.54 1dfd s MET 27 CO -0.01 -0.26 -0.17 0.34 0.00 0.00 0.00 175.02 174.92 1dfd s ASP 28 N -3.48 3.44 0.21 3.03 2.15 -0.78 -4.78 116.67 116.47 1dfd s ASP 28 Ca 0.54 -1.06 0.25 0.00 0.43 0.00 0.00 52.55 52.71 1dfd s ASP 28 Cb -0.10 -0.28 0.53 0.00 -0.30 0.00 0.00 42.92 42.77 1dfd s ASP 28 CO 0.38 -0.04 1.55 1.55 -0.17 0.00 0.00 175.17 178.44 1dfd h PRO 29 N 2.27 0.00 0.08 4.34 0.13 -1.94 3.64 132.00 140.52 1dfd h PRO 29 Ca -0.40 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 1dfd h PRO 29 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1dfd h PRO 29 CO 0.62 0.00 -1.77 1.49 -0.23 0.00 0.00 178.00 178.12 1dfd h GLU 30 N 0.00 0.17 -0.04 0.86 4.81 -1.97 -3.33 114.58 115.08 1dfd h GLU 30 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1dfd h GLU 30 Cb 0.80 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1dfd h GLU 30 CO 0.00 0.94 0.00 0.44 -0.73 0.00 0.00 179.01 179.66 1dfd n ILE 31 N -3.32 0.05 -3.09 2.32 -5.35 -1.20 -4.94 119.36 103.83 1dfd n ILE 31 Ca -0.22 -0.52 -0.22 0.00 -0.27 0.00 0.00 62.75 61.51 1dfd n ILE 31 Cb 1.05 1.29 -0.04 0.00 -1.74 0.00 0.00 39.64 40.20 1dfd n ILE 31 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1dfd n GLU 32 N 0.89 -1.05 -3.60 6.28 1.02 1.20 -4.70 120.64 120.68 1dfd n GLU 32 Ca 0.10 0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1dfd n GLU 32 Cb 0.40 -2.85 -0.07 0.00 -0.02 0.00 0.00 31.44 28.90 1dfd n GLU 32 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1dfd s LYS 33 N -4.51 0.91 0.43 3.49 1.02 -1.05 -4.77 119.74 115.25 1dfd s LYS 33 Ca 0.43 0.39 -0.24 0.00 0.02 0.00 0.00 55.97 56.57 1dfd s LYS 33 Cb -0.25 0.43 -0.10 0.00 -0.52 0.00 0.00 37.83 37.39 1dfd s LYS 33 CO 0.52 -0.23 1.04 0.00 -0.92 0.00 0.00 175.35 175.76 1dfd n ALA 34 N 1.53 0.31 -2.96 5.17 0.00 -1.25 -1.86 120.51 121.45 1dfd n ALA 34 Ca -0.18 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1dfd n ALA 34 Cb 0.56 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 1dfd n ALA 34 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1dfd s TYR 35 N -1.28 0.49 -1.10 0.00 1.13 0.36 -4.11 117.35 112.85 1dfd s TYR 35 Ca 0.64 -0.82 -0.18 0.00 -1.41 0.00 0.00 57.07 55.30 1dfd s TYR 35 Cb -0.54 0.04 0.12 0.00 -1.10 0.00 0.00 41.96 40.47 1dfd s TYR 35 CO 0.56 -0.89 1.38 0.08 -2.51 0.00 0.00 175.55 174.17 1dfd s VAL 36 N -4.03 4.61 -0.95 -3.49 1.01 -1.25 -1.63 120.40 114.66 1dfd s VAL 36 Ca 0.24 -1.87 0.14 0.00 0.00 0.00 0.00 61.98 60.49 1dfd s VAL 36 Cb 0.01 -4.93 0.12 0.00 0.00 0.00 0.00 36.38 31.58 1dfd s VAL 36 CO 0.08 -1.70 1.44 2.29 0.00 0.00 0.00 175.10 177.21 1dfd n LYS 37 N 6.90 0.02 0.00 2.72 2.85 0.35 -4.79 118.16 126.20 1dfd n LYS 37 Ca 0.34 0.29 0.00 0.00 -1.05 0.00 0.00 58.31 57.89 1dfd n LYS 37 Cb 0.47 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1dfd n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dfd n ASP 38 N -1.56 0.00 0.05 -5.58 2.03 -1.13 -4.95 116.55 105.41 1dfd n ASP 38 Ca 0.03 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.21 1dfd n ASP 38 Cb 0.16 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.42 1dfd n ASP 38 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1dfd h VAL 39 N 0.04 1.22 0.00 5.18 -1.51 -1.88 -3.25 116.25 116.06 1dfd h VAL 39 Ca 0.00 -2.92 0.00 0.00 -1.23 0.00 0.00 66.70 62.55 1dfd h VAL 39 Cb 0.00 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1dfd h VAL 39 CO 0.00 0.80 0.00 -0.33 -1.23 0.00 0.00 177.57 176.81 1dfd h GLU 40 N 0.04 0.00 0.00 5.19 4.39 -1.96 -2.63 114.58 119.62 1dfd h GLU 40 Ca -0.20 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 1dfd h GLU 40 Cb 1.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.60 1dfd h GLU 40 CO 0.14 0.00 -0.32 0.78 -1.16 0.00 0.00 179.01 178.45 1dfd h GLY 41 N 2.59 0.00 -4.81 -3.84 0.00 -1.73 -3.43 103.07 91.84 1dfd h GLY 41 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 1dfd h GLY 41 CO 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.75 1dfd s ALA 42 N -3.88 1.08 0.41 3.60 0.00 -0.99 -3.95 121.76 118.03 1dfd s ALA 42 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 1dfd s ALA 42 Cb 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1dfd s ALA 42 CO 0.67 0.21 0.71 -1.54 0.00 0.00 0.00 175.76 175.81 1dfd s SER 43 N -0.97 6.34 0.63 0.00 1.04 -1.26 -4.70 113.70 114.77 1dfd s SER 43 Ca 0.01 0.85 0.29 0.00 0.48 0.00 0.00 55.95 57.58 1dfd s SER 43 Cb -0.07 -2.21 1.55 0.00 0.10 0.00 0.00 66.02 65.39 1dfd s SER 43 CO 0.01 -0.44 1.91 0.06 0.98 0.00 0.00 173.24 175.76 1dfd h GLN 44 N 0.73 0.00 0.00 4.02 -0.00 -1.97 1.19 115.11 119.08 1dfd h GLN 44 Ca -0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.10 1dfd h GLN 44 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.67 1dfd h GLN 44 CO 0.63 0.00 -0.77 0.93 -0.00 0.00 0.00 178.83 179.62 1dfd h GLU 45 N 0.00 0.00 0.00 0.06 4.39 -1.98 -2.53 114.58 114.52 1dfd h GLU 45 Ca 0.10 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1dfd h GLU 45 Cb 0.89 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1dfd h GLU 45 CO -0.00 0.23 -0.70 0.93 -1.16 0.00 0.00 179.01 178.31 1dfd h GLU 46 N 0.00 0.00 -1.12 2.33 5.08 0.78 -2.70 114.58 118.95 1dfd h GLU 46 Ca -0.05 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.64 1dfd h GLU 46 Cb 1.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1dfd h GLU 46 CO 0.03 0.42 0.84 0.28 -1.00 0.00 0.00 179.01 179.59 1dfd h VAL 47 N -1.00 0.38 0.04 3.13 2.07 0.27 0.19 116.25 121.32 1dfd h VAL 47 Ca -0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1dfd h VAL 47 Cb 0.78 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1dfd h VAL 47 CO -0.08 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.17 1dfd h GLU 48 N 0.00 -0.05 -0.79 1.57 5.08 -1.51 -2.27 114.58 116.61 1dfd h GLU 48 Ca 0.53 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 59.08 1dfd h GLU 48 Cb 2.21 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 31.34 1dfd h GLU 48 CO -0.01 -0.03 0.07 0.93 -1.00 0.00 0.00 179.01 178.98 1dfd h GLU 49 N -0.09 0.13 -0.62 2.33 5.08 -0.92 1.37 114.58 121.86 1dfd h GLU 49 Ca -0.01 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.48 1dfd h GLU 49 Cb 0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1dfd h GLU 49 CO 0.01 0.09 0.43 0.00 -1.00 0.00 0.00 179.01 178.54 1dfd h ALA 50 N 1.73 2.23 0.67 3.43 0.00 -0.74 -2.33 119.26 124.25 1dfd h ALA 50 Ca 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1dfd h ALA 50 Cb 0.83 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1dfd h ALA 50 CO -0.66 -0.40 -0.32 1.98 0.00 0.00 0.00 179.25 179.85 1dfd h MET 51 N 0.26 -0.86 -1.09 0.00 1.85 0.25 -2.82 114.93 112.51 1dfd h MET 51 Ca 0.30 0.06 0.32 0.00 -0.61 0.00 0.00 59.70 59.76 1dfd h MET 51 Cb 0.82 0.20 -0.04 0.00 0.43 0.00 0.00 31.60 33.01 1dfd h MET 51 CO -0.06 -0.57 0.91 0.22 -0.40 0.00 0.00 176.91 177.00 1dfd h ASP 52 N -1.22 0.00 -3.16 1.39 1.82 -0.94 -3.26 116.42 111.05 1dfd h ASP 52 Ca -0.09 0.00 -0.75 0.00 -0.39 0.00 0.00 57.03 55.80 1dfd h ASP 52 Cb 0.68 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 40.44 1dfd h ASP 52 CO 0.15 0.00 -0.27 -0.89 -1.61 0.00 0.00 179.24 176.62 1dfd s THR 53 N -4.77 4.91 0.00 2.25 2.01 -0.95 -4.99 115.64 114.10 1dfd s THR 53 Ca -0.04 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.36 1dfd s THR 53 Cb 0.20 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1dfd s THR 53 CO 0.70 -0.84 0.00 0.00 -0.69 0.00 0.00 174.62 173.79 1dfd s PRO 55 N -1.64 3.18 0.00 0.00 0.04 -1.26 -2.66 135.00 132.66 1dfd s PRO 55 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1dfd s PRO 55 Cb 0.00 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1dfd s PRO 55 CO 0.00 -2.08 0.00 0.28 0.04 0.00 0.00 177.00 175.24 1dfd n VAL 56 N 6.90 0.00 -3.29 -0.36 0.31 -1.26 -4.30 118.33 116.33 1dfd n VAL 56 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 1dfd n VAL 56 Cb 0.49 -0.07 0.02 0.00 -0.91 0.00 0.00 33.84 33.37 1dfd n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dfd n GLN 57 N -2.17 -1.77 0.06 5.55 6.02 -1.09 -4.82 117.38 119.17 1dfd n GLN 57 Ca 0.00 1.50 0.13 0.00 -0.01 0.00 0.00 57.00 58.62 1dfd n GLN 57 Cb 0.02 -2.64 0.50 0.00 1.02 0.00 0.00 30.24 29.14 1dfd n GLN 57 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dfd s ILE 59 N -3.05 4.44 0.25 0.00 2.07 -1.26 -2.05 121.20 121.60 1dfd s ILE 59 Ca 0.12 1.48 -0.03 0.00 -1.41 0.00 0.00 60.65 60.81 1dfd s ILE 59 Cb 0.15 -3.92 -0.02 0.00 0.13 0.00 0.00 42.46 38.80 1dfd s ILE 59 CO 0.56 0.21 0.29 -1.00 -1.91 0.00 0.00 174.94 173.09 1dfd s HIS 60 N -1.53 1.01 0.70 3.50 3.76 -0.10 -4.99 115.29 117.64 1dfd s HIS 60 Ca 0.45 -1.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.16 1dfd s HIS 60 Cb -0.18 -0.31 0.13 0.00 1.11 0.00 0.00 32.58 33.34 1dfd s HIS 60 CO 0.22 -0.84 0.96 -1.58 -0.85 0.00 0.00 174.74 172.65 1dfd s TRP 61 N -3.86 1.27 -0.35 1.40 0.52 -1.26 -0.69 118.94 115.97 1dfd s TRP 61 Ca 0.34 -0.50 0.05 0.00 0.02 0.00 0.00 56.10 56.01 1dfd s TRP 61 Cb 0.03 -2.74 0.18 0.00 -1.15 0.00 0.00 33.47 29.79 1dfd s TRP 61 CO 0.14 -1.66 0.52 -2.00 0.02 0.00 0.00 176.95 173.98 1dfd s GLU 62 N -5.04 0.64 -0.32 4.98 2.12 0.17 -4.52 118.70 116.74 1dfd s GLU 62 Ca 0.66 -0.12 -0.28 0.00 0.36 0.00 0.00 54.97 55.60 1dfd s GLU 62 Cb -0.04 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 1dfd s GLU 62 CO 0.43 -1.13 2.18 -0.51 -0.54 0.00 0.00 175.26 175.70 1dfd s ASP 63 N 2.13 5.26 0.00 -1.70 1.11 -1.26 0.81 116.67 123.02 1dfd s ASP 63 Ca 0.14 1.52 0.00 0.00 0.18 0.00 0.00 52.55 54.38 1dfd s ASP 63 Cb -0.09 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1dfd s ASP 63 CO -0.15 -2.17 0.18 -0.62 1.18 0.00 0.00 175.17 173.59