#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfd s ARG 2 N 0.00 0.38 0.00 0.00 6.06 -1.26 -4.17 118.95 119.96 1dfd s ARG 2 Ca 0.00 -0.07 0.00 0.00 -2.50 0.00 0.00 55.73 53.16 1dfd s ARG 2 Cb 0.00 -1.48 0.00 0.00 0.06 0.00 0.00 34.95 33.53 1dfd s ARG 2 CO 0.00 -0.51 0.00 1.17 -2.50 0.00 0.00 175.30 173.46 1dfd n LYS 3 N 5.17 3.39 -3.01 5.12 3.00 -0.97 -4.90 118.16 125.96 1dfd n LYS 3 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1dfd n LYS 3 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 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 0.00 -3.33 5.64 -1.74 -1.26 -0.87 117.46 115.90 1dfd n PHE 4 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1dfd n PHE 4 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 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 0.10 0.00 -3.89 2.97 4.11 -0.08 -4.54 117.16 115.82 1dfd n TYR 5 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.81 1dfd n TYR 5 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 1dfd n TYR 5 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1dfd s VAL 6 N -3.00 0.03 -0.92 -3.48 1.01 -1.26 -2.39 120.40 110.38 1dfd s VAL 6 Ca 0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 60.80 1dfd s VAL 6 Cb 0.00 -1.88 0.30 0.00 0.00 0.00 0.00 36.38 34.80 1dfd s VAL 6 CO 0.00 -0.13 1.28 -0.67 0.00 0.00 0.00 175.10 175.58 1dfd n ASP 7 N -0.32 5.67 0.19 3.32 -0.08 0.24 -4.81 116.55 120.75 1dfd n ASP 7 Ca -0.06 -3.47 0.05 0.00 -1.51 0.00 0.00 54.79 49.80 1dfd n ASP 7 Cb 0.62 -1.05 0.27 0.00 2.34 0.00 0.00 41.12 43.30 1dfd n ASP 7 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1dfd h GLN 8 N 4.83 0.00 -0.21 -0.67 -0.00 -1.81 0.84 115.11 118.08 1dfd h GLN 8 Ca 0.23 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.82 1dfd h GLN 8 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.06 1dfd h GLN 8 CO 1.15 0.00 -0.14 0.22 -0.00 0.00 0.00 178.83 180.06 1dfd h ASP 9 N 0.00 0.34 -0.06 0.06 3.58 -1.87 -0.52 116.42 117.95 1dfd h ASP 9 Ca 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1dfd h ASP 9 Cb 0.96 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1dfd h ASP 9 CO 0.00 0.51 0.00 1.21 -2.88 0.00 0.00 179.24 178.08 1dfd n GLU 10 N -4.23 1.92 -2.05 0.28 0.00 0.29 -4.91 120.64 111.93 1dfd n GLU 10 Ca -0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 57.16 55.40 1dfd n GLU 10 Cb 0.31 -1.47 -0.03 0.00 0.00 0.00 0.00 31.44 30.25 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dfd n ILE 12 N 4.06 0.00 -2.31 0.00 -5.35 -1.26 -4.96 119.36 109.54 1dfd n ILE 12 Ca 0.13 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.26 1dfd n ILE 12 Cb 0.41 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.32 1dfd n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dfd n ALA 13 N -3.00 5.85 -2.50 -1.28 0.00 -1.26 -4.91 120.51 113.42 1dfd n ALA 13 Ca 0.00 -4.33 -0.13 0.00 0.00 0.00 0.00 53.44 48.98 1dfd n ALA 13 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 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 0.63 1.44 -0.27 0.00 0.28 -1.26 -4.79 120.64 116.67 1dfd n GLU 15 Ca -0.17 -2.43 0.01 0.00 -0.16 0.00 0.00 57.16 54.41 1dfd n GLU 15 Cb 0.58 -1.42 0.07 0.00 1.43 0.00 0.00 31.44 32.10 1dfd n GLU 15 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1dfd h SER 16 N 0.00 -0.87 0.45 -1.84 0.02 -1.98 0.15 113.55 109.47 1dfd h SER 16 Ca 0.00 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1dfd h SER 16 Cb 0.95 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1dfd h SER 16 CO 0.00 -0.27 -0.22 0.00 -1.14 0.00 0.00 176.83 175.20 1dfd h VAL 18 N -0.71 0.22 -0.11 0.00 2.07 -1.30 1.47 116.25 117.90 1dfd h VAL 18 Ca -0.06 -0.04 -0.20 0.00 0.82 0.00 0.00 66.70 67.22 1dfd h VAL 18 Cb 0.52 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1dfd h VAL 18 CO 0.10 0.02 -0.74 -0.08 0.02 0.00 0.00 177.57 176.89 1dfd h GLU 19 N 0.11 0.55 -0.63 1.57 4.22 -0.41 0.77 114.58 120.77 1dfd h GLU 19 Ca 0.76 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1dfd h GLU 19 Cb 2.53 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.87 1dfd h GLU 19 CO -0.27 1.07 0.00 -0.89 -2.18 0.00 0.00 179.01 176.74 1dfd n ILE 20 N -3.87 0.77 -2.67 2.32 5.41 0.48 -4.24 119.36 117.55 1dfd n ILE 20 Ca -0.05 -0.46 -0.04 0.00 1.00 0.00 0.00 62.75 63.19 1dfd n ILE 20 Cb 0.72 -0.19 0.10 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.26 -2.94 -0.81 -1.39 0.00 0.38 -4.18 120.51 111.83 1dfd n ALA 21 Ca 0.10 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1dfd n ALA 21 Cb 0.46 -2.86 -0.11 0.00 0.00 0.00 0.00 19.45 16.94 1dfd n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dfd n PRO 22 N 0.85 1.77 0.00 0.00 -0.04 0.21 -2.34 135.00 135.46 1dfd n PRO 22 Ca -0.02 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1dfd n PRO 22 Cb 0.73 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1dfd n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dfd n GLY 23 N 2.80 0.11 0.12 0.55 0.00 -1.26 -4.97 105.19 102.55 1dfd n GLY 23 Ca 0.38 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.39 0.92 -2.38 4.61 0.00 -1.18 -4.28 120.51 116.81 1dfd n ALA 24 Ca 0.00 -0.66 -0.39 0.00 0.00 0.00 0.00 53.44 52.40 1dfd n ALA 24 Cb 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.45 3.75 -0.30 0.00 2.19 -0.99 0.13 117.98 120.32 1dfd s PHE 25 Ca -0.29 1.21 -0.16 0.00 0.33 0.00 0.00 56.93 58.01 1dfd s PHE 25 Cb 0.08 -2.51 0.18 0.00 -1.31 0.00 0.00 43.02 39.45 1dfd s PHE 25 CO 0.62 0.51 1.11 0.00 1.83 0.00 0.00 175.22 179.28 1dfd s ALA 26 N -0.76 -2.64 0.68 11.12 0.00 -0.91 -4.62 121.76 124.63 1dfd s ALA 26 Ca 0.29 2.04 -0.16 0.00 0.00 0.00 0.00 51.96 54.13 1dfd s ALA 26 Cb -0.19 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 20.99 1dfd s ALA 26 CO 0.17 -0.57 1.20 -1.64 0.00 0.00 0.00 175.76 174.93 1dfd s MET 27 N 1.61 2.44 0.22 0.00 1.00 -1.26 -2.37 119.30 120.93 1dfd s MET 27 Ca -0.06 1.75 0.05 0.00 0.00 0.00 0.00 55.69 57.43 1dfd s MET 27 Cb -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 34.83 32.88 1dfd s MET 27 CO -0.14 -1.61 -0.05 0.34 0.00 0.00 0.00 175.02 173.56 1dfd s ASP 28 N -1.95 2.10 0.29 3.03 2.15 -0.94 -4.79 116.67 116.56 1dfd s ASP 28 Ca 0.75 -1.15 0.24 0.00 0.43 0.00 0.00 52.55 52.81 1dfd s ASP 28 Cb -0.29 -0.05 0.34 0.00 -0.30 0.00 0.00 42.92 42.63 1dfd s ASP 28 CO 0.42 -0.40 1.46 1.55 -0.17 0.00 0.00 175.17 178.02 1dfd h PRO 29 N 2.50 0.00 0.19 4.34 0.13 -1.94 3.40 132.00 140.62 1dfd h PRO 29 Ca -0.38 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 1dfd h PRO 29 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1dfd h PRO 29 CO 0.65 0.00 -1.66 1.49 -0.23 0.00 0.00 178.00 178.24 1dfd h GLU 30 N 0.00 0.40 -0.02 0.86 4.81 -1.96 -3.29 114.58 115.37 1dfd h GLU 30 Ca 0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 1dfd h GLU 30 Cb 0.92 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1dfd h GLU 30 CO 0.00 1.31 -0.19 0.44 -0.73 0.00 0.00 179.01 179.84 1dfd n ILE 31 N -3.59 0.00 -2.77 2.32 -5.35 -1.21 -4.92 119.36 103.83 1dfd n ILE 31 Ca -0.22 -0.41 -0.14 0.00 -0.27 0.00 0.00 62.75 61.71 1dfd n ILE 31 Cb 1.08 1.37 -0.03 0.00 -1.74 0.00 0.00 39.64 40.32 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 0.69 -1.71 -3.54 6.28 1.02 1.13 -4.72 120.64 119.80 1dfd n GLU 32 Ca 0.11 0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1dfd n GLU 32 Cb 0.50 -3.37 -0.06 0.00 -0.02 0.00 0.00 31.44 28.50 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 -4.53 0.90 0.46 3.49 1.02 -1.02 -4.77 119.74 115.29 1dfd s LYS 33 Ca 0.28 0.20 -0.24 0.00 0.02 0.00 0.00 55.97 56.23 1dfd s LYS 33 Cb -0.16 0.42 -0.07 0.00 -0.52 0.00 0.00 37.83 37.50 1dfd s LYS 33 CO 0.34 -0.28 1.36 0.00 -0.92 0.00 0.00 175.35 175.85 1dfd s ALA 34 N -1.23 3.12 0.10 5.17 0.00 -1.26 -2.21 121.76 125.45 1dfd s ALA 34 Ca -0.07 1.34 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 1dfd s ALA 34 Cb -0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1dfd s ALA 34 CO 0.06 -1.11 0.46 1.52 0.00 0.00 0.00 175.76 176.69 1dfd s TYR 35 N -1.26 -0.32 -0.56 0.00 1.13 -1.00 -4.02 117.35 111.32 1dfd s TYR 35 Ca 0.63 0.14 -0.21 0.00 -1.41 0.00 0.00 57.07 56.22 1dfd s TYR 35 Cb -0.41 0.32 -0.19 0.00 -1.10 0.00 0.00 41.96 40.58 1dfd s TYR 35 CO 0.51 -0.69 1.82 1.55 -2.51 0.00 0.00 175.55 176.22 1dfd n VAL 36 N 0.00 1.35 0.31 -3.49 3.14 -1.25 -2.15 118.33 116.24 1dfd n VAL 36 Ca -0.17 -1.11 0.11 0.00 -2.96 0.00 0.00 64.34 60.21 1dfd n VAL 36 Cb 0.63 -2.18 0.56 0.00 -1.06 0.00 0.00 33.84 31.79 1dfd n VAL 36 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1dfd h LYS 37 N 8.24 0.00 -0.70 1.45 5.09 0.80 -3.34 116.57 128.11 1dfd h LYS 37 Ca 0.37 0.00 0.10 0.00 0.09 0.00 0.00 60.65 61.21 1dfd h LYS 37 Cb 0.59 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 32.72 1dfd h LYS 37 CO 1.88 0.00 -0.24 0.34 -2.09 0.00 0.00 179.45 179.35 1dfd s ASP 38 N -3.94 -1.15 0.55 7.07 2.15 -1.11 -5.00 116.67 115.23 1dfd s ASP 38 Ca -0.02 0.11 0.36 0.00 0.43 0.00 0.00 52.55 53.43 1dfd s ASP 38 Cb 0.06 1.72 1.53 0.00 -0.30 0.00 0.00 42.92 45.94 1dfd s ASP 38 CO 0.19 -0.21 1.80 -0.37 -0.17 0.00 0.00 175.17 176.41 1dfd h VAL 39 N 5.38 0.39 -0.00 1.11 -1.51 -1.86 2.12 116.25 121.88 1dfd h VAL 39 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1dfd h VAL 39 Cb 1.18 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1dfd h VAL 39 CO 0.05 0.00 -0.13 -0.62 -1.23 0.00 0.00 177.57 175.64 1dfd n GLU 40 N -4.13 0.67 0.11 5.19 1.02 -1.26 -3.67 120.64 118.57 1dfd n GLU 40 Ca 0.24 -0.25 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1dfd n GLU 40 Cb 1.22 -1.49 0.29 0.00 -0.02 0.00 0.00 31.44 31.44 1dfd n GLU 40 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1dfd h GLY 41 N 4.96 0.25 -2.45 0.62 0.00 0.33 -3.45 103.07 103.33 1dfd h GLY 41 Ca 0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 47.33 46.70 1dfd h GLY 41 CO 0.00 0.18 -0.69 0.00 0.00 0.00 0.00 176.54 176.03 1dfd s ALA 42 N -4.38 1.98 0.65 3.60 0.00 -1.24 -3.50 121.76 118.87 1dfd s ALA 42 Ca -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 1dfd s ALA 42 Cb 0.14 0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.50 1dfd s ALA 42 CO 0.75 -0.09 0.92 -1.54 0.00 0.00 0.00 175.76 175.81 1dfd s SER 43 N -3.33 4.86 0.26 0.00 1.04 -1.26 -4.83 113.70 110.44 1dfd s SER 43 Ca 0.25 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.83 1dfd s SER 43 Cb 0.03 -0.80 0.35 0.00 0.10 0.00 0.00 66.02 65.69 1dfd s SER 43 CO 0.08 -1.50 1.67 0.06 0.98 0.00 0.00 173.24 174.53 1dfd h GLN 44 N -0.35 0.45 0.00 4.02 3.07 -1.96 0.74 115.11 121.08 1dfd h GLN 44 Ca -0.42 -0.20 -0.05 0.00 0.09 0.00 0.00 58.65 58.07 1dfd h GLN 44 Cb 1.30 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.84 1dfd h GLN 44 CO 0.53 0.74 -0.24 0.93 0.09 0.00 0.00 178.83 180.88 1dfd h GLU 45 N 0.39 0.00 0.14 0.06 4.39 -1.98 0.77 114.58 118.35 1dfd h GLU 45 Ca 0.04 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.41 1dfd h GLU 45 Cb 0.79 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1dfd h GLU 45 CO 0.06 0.24 -1.76 0.93 -1.16 0.00 0.00 179.01 177.32 1dfd h GLU 46 N 0.00 0.30 0.00 2.33 5.08 -1.70 -2.70 114.58 117.89 1dfd h GLU 46 Ca -0.00 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1dfd h GLU 46 Cb 0.81 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1dfd h GLU 46 CO 0.03 1.25 -0.16 0.28 -1.00 0.00 0.00 179.01 179.41 1dfd h VAL 47 N -0.03 1.05 0.29 3.13 2.07 0.67 0.13 116.25 123.55 1dfd h VAL 47 Ca -0.37 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1dfd h VAL 47 Cb 1.98 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1dfd h VAL 47 CO 0.11 0.15 -0.14 -0.33 0.02 0.00 0.00 177.57 177.38 1dfd h GLU 48 N 0.00 -0.38 -1.00 1.57 5.08 0.54 -0.89 114.58 119.50 1dfd h GLU 48 Ca -0.00 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1dfd h GLU 48 Cb 0.29 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 1dfd h GLU 48 CO 0.02 -0.25 0.62 0.93 -1.00 0.00 0.00 179.01 179.33 1dfd h GLU 49 N -0.64 0.79 0.00 2.33 5.08 -1.35 1.02 114.58 121.81 1dfd h GLU 49 Ca -0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1dfd h GLU 49 Cb 0.30 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1dfd h GLU 49 CO 0.07 0.52 -0.10 0.00 -1.00 0.00 0.00 179.01 178.50 1dfd h ALA 50 N 1.62 1.57 -0.13 3.43 0.00 -0.73 -1.90 119.26 123.11 1dfd h ALA 50 Ca 0.55 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1dfd h ALA 50 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dfd h ALA 50 CO -0.34 0.13 -0.46 1.98 0.00 0.00 0.00 179.25 180.56 1dfd h MET 51 N 0.00 0.53 -0.78 0.00 -1.53 0.25 -3.13 114.93 110.27 1dfd h MET 51 Ca -0.00 -0.41 0.09 0.00 -3.44 0.00 0.00 59.70 55.94 1dfd h MET 51 Cb 0.22 0.08 -0.07 0.00 -0.55 0.00 0.00 31.60 31.27 1dfd h MET 51 CO 0.01 1.03 0.44 0.22 0.14 0.00 0.00 176.91 178.75 1dfd h ASP 52 N 0.15 0.63 -0.02 1.39 1.82 -0.52 -3.41 116.42 116.45 1dfd h ASP 52 Ca -0.02 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1dfd h ASP 52 Cb 1.09 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1dfd h ASP 52 CO 0.10 0.36 0.00 0.41 -1.61 0.00 0.00 179.24 178.50 1dfd n THR 53 N -4.77 0.00 -1.12 2.25 -1.04 -0.96 -4.89 114.28 103.75 1dfd n THR 53 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1dfd n THR 53 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dfd h PRO 55 N 0.70 -0.38 -0.57 0.00 0.13 -1.95 -3.33 132.00 126.59 1dfd h PRO 55 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1dfd h PRO 55 Cb 0.31 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1dfd h PRO 55 CO 0.00 -0.25 0.00 0.28 -0.23 0.00 0.00 178.00 177.80 1dfd n VAL 56 N -4.75 1.79 0.00 1.56 0.31 -1.26 -4.98 118.33 111.00 1dfd n VAL 56 Ca -0.05 -1.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.03 1dfd n VAL 56 Cb 0.16 0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 0.88 0.00 -1.15 5.55 6.02 -1.25 -4.60 117.38 122.83 1dfd n GLN 57 Ca 0.24 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.18 1dfd n GLN 57 Cb 0.84 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.08 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 -1.62 2.43 0.27 0.00 2.07 -1.26 0.81 121.20 123.89 1dfd s ILE 59 Ca 0.00 -1.85 -0.17 0.00 -1.41 0.00 0.00 60.65 57.22 1dfd s ILE 59 Cb 0.00 -2.13 0.01 0.00 0.13 0.00 0.00 42.46 40.47 1dfd s ILE 59 CO 0.00 -0.02 0.61 -1.00 -1.91 0.00 0.00 174.94 172.62 1dfd s HIS 60 N -1.40 0.08 0.63 3.50 3.76 -1.01 -4.97 115.29 115.89 1dfd s HIS 60 Ca 0.18 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 1dfd s HIS 60 Cb -0.09 0.47 0.09 0.00 1.11 0.00 0.00 32.58 34.15 1dfd s HIS 60 CO 0.09 -1.13 0.87 -1.58 -0.85 0.00 0.00 174.74 172.13 1dfd s TRP 61 N -3.92 2.01 -0.38 1.40 0.52 -1.26 -0.91 118.94 116.39 1dfd s TRP 61 Ca 0.17 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.01 1dfd s TRP 61 Cb -0.03 -2.75 0.14 0.00 -1.15 0.00 0.00 33.47 29.67 1dfd s TRP 61 CO 0.08 -1.29 0.23 -2.00 0.02 0.00 0.00 176.95 173.99 1dfd s GLU 62 N -4.90 0.80 0.79 4.98 2.12 -0.05 -4.63 118.70 117.81 1dfd s GLU 62 Ca 0.62 -1.59 -0.15 0.00 0.36 0.00 0.00 54.97 54.22 1dfd s GLU 62 Cb -0.07 -1.62 0.02 0.00 0.26 0.00 0.00 34.13 32.71 1dfd s GLU 62 CO 0.41 -1.21 0.79 -0.40 -0.54 0.00 0.00 175.26 174.31 1dfd n ASP 63 N 3.81 -0.40 0.00 -1.70 5.75 -1.26 -2.30 116.55 120.45 1dfd n ASP 63 Ca 0.12 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.46 1dfd n ASP 63 Cb 0.37 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 1dfd n ASP 63 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30