#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 1.38 0.00 0.00 1.74 -1.26 -4.18 116.66 114.33 1dfd n ARG 2 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1dfd n ARG 2 Cb 0.00 -3.33 0.00 0.00 -1.02 0.00 0.00 32.46 28.11 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 8.90 2.74 0.00 5.56 4.81 -0.34 -4.96 118.16 134.87 1dfd n LYS 3 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1dfd n LYS 3 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1dfd n LYS 3 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1dfd n PHE 4 N 0.00 0.00 -3.38 5.64 -1.74 -1.26 -1.57 117.46 115.15 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 -0.21 0.00 -3.87 2.97 4.11 -0.61 -4.63 117.16 114.92 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 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 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 0.15 -0.99 -3.48 1.01 -1.26 -1.69 120.40 111.13 1dfd s VAL 6 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1dfd s VAL 6 Cb 0.00 -1.33 0.25 0.00 0.00 0.00 0.00 36.38 35.31 1dfd s VAL 6 CO 0.00 -0.66 0.98 -0.67 0.00 0.00 0.00 175.10 174.75 1dfd n ASP 7 N -0.01 4.90 0.31 3.32 2.03 -1.25 -4.69 116.55 121.16 1dfd n ASP 7 Ca -0.15 -3.15 0.04 0.00 0.52 0.00 0.00 54.79 52.05 1dfd n ASP 7 Cb 0.62 -1.17 0.19 0.00 -0.72 0.00 0.00 41.12 40.04 1dfd n ASP 7 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1dfd h GLN 8 N 6.06 0.00 -0.72 -0.67 7.50 -1.93 0.47 115.11 125.82 1dfd h GLN 8 Ca 0.18 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.42 1dfd h GLN 8 Cb 0.80 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.28 1dfd h GLN 8 CO 0.97 0.00 0.47 0.22 -1.50 0.00 0.00 178.83 178.99 1dfd h ASP 9 N 0.00 0.56 0.80 1.46 3.58 -1.91 -0.21 116.42 120.70 1dfd h ASP 9 Ca 0.00 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 1dfd h ASP 9 Cb 1.60 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.52 1dfd h ASP 9 CO 0.00 0.34 -1.20 -0.08 -2.88 0.00 0.00 179.24 175.42 1dfd h GLU 10 N 0.63 0.07 -6.13 0.28 4.22 -0.47 -3.46 114.58 109.72 1dfd h GLU 10 Ca 0.33 -0.13 -0.63 0.00 0.08 0.00 0.00 59.36 59.00 1dfd h GLU 10 Cb 0.44 0.05 0.13 0.00 0.50 0.00 0.00 28.75 29.87 1dfd h GLU 10 CO -0.11 0.98 -0.53 0.00 -2.18 0.00 0.00 179.01 177.16 1dfd n ILE 12 N -0.44 1.54 0.00 0.00 -0.00 -1.26 -5.01 119.36 114.18 1dfd n ILE 12 Ca 0.14 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.44 1dfd n ILE 12 Cb 0.33 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.27 1dfd n ILE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1dfd n ALA 13 N -3.68 0.00 -1.06 -1.28 0.00 -1.26 -5.09 120.51 108.14 1dfd n ALA 13 Ca -0.47 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 1dfd n ALA 13 Cb 0.92 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.33 1.82 -0.13 0.00 1.02 -1.26 -4.80 120.64 114.97 1dfd n GLU 15 Ca 0.11 -2.73 -0.08 0.00 -0.02 0.00 0.00 57.16 54.44 1dfd n GLU 15 Cb 0.51 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1dfd n GLU 15 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1dfd h SER 16 N 0.65 -1.21 -0.34 1.62 0.02 -1.97 0.88 113.55 113.20 1dfd h SER 16 Ca 0.01 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1dfd h SER 16 Cb 1.16 0.50 -0.08 0.00 0.14 0.00 0.00 62.40 64.12 1dfd h SER 16 CO 0.08 -0.23 -0.31 0.00 -1.14 0.00 0.00 176.83 175.24 1dfd h VAL 18 N -0.27 0.19 -0.35 0.00 2.07 -1.32 1.71 116.25 118.28 1dfd h VAL 18 Ca 0.16 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1dfd h VAL 18 Cb 0.53 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1dfd h VAL 18 CO -0.49 0.02 0.02 -0.08 0.02 0.00 0.00 177.57 177.06 1dfd h GLU 19 N 0.09 0.53 -0.53 1.57 4.22 0.15 0.29 114.58 120.91 1dfd h GLU 19 Ca 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.88 1dfd h GLU 19 Cb 1.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1dfd h GLU 19 CO -0.77 0.54 0.00 -0.89 -2.18 0.00 0.00 179.01 175.71 1dfd n ILE 20 N -4.29 0.67 -2.69 2.32 5.41 0.55 -4.23 119.36 117.09 1dfd n ILE 20 Ca 0.02 -0.44 -0.05 0.00 1.00 0.00 0.00 62.75 63.27 1dfd n ILE 20 Cb 0.23 -0.08 0.09 0.00 -0.71 0.00 0.00 39.64 39.17 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 0.28 -2.57 -0.67 -1.39 0.00 0.79 -4.52 120.51 112.44 1dfd n ALA 21 Ca 0.10 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.64 1dfd n ALA 21 Cb 0.40 -2.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 1.03 1.73 0.02 0.00 -0.04 0.39 -2.34 135.00 135.79 1dfd n PRO 22 Ca 0.01 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1dfd n PRO 22 Cb 0.71 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 3.40 -1.70 0.25 0.55 0.00 -1.26 -4.95 105.19 101.49 1dfd n GLY 23 Ca 0.37 0.63 -0.10 0.00 0.00 0.00 0.00 46.02 46.92 1dfd n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfd h ALA 24 N 0.00 0.64 -3.13 4.61 0.00 -1.51 -3.29 119.26 116.58 1dfd h ALA 24 Ca 0.00 -0.30 -0.62 0.00 0.00 0.00 0.00 54.91 53.99 1dfd h ALA 24 Cb 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 17.50 1dfd h ALA 24 CO 0.00 0.47 -0.51 0.12 0.00 0.00 0.00 179.25 179.33 1dfd s PHE 25 N -4.95 3.40 -0.28 0.00 2.19 -0.99 0.17 117.98 117.52 1dfd s PHE 25 Ca -0.12 0.31 -0.17 0.00 0.33 0.00 0.00 56.93 57.28 1dfd s PHE 25 Cb 0.11 -2.07 0.09 0.00 -1.31 0.00 0.00 43.02 39.84 1dfd s PHE 25 CO 0.82 0.37 0.74 0.00 1.83 0.00 0.00 175.22 178.98 1dfd s ALA 26 N -0.02 -1.93 0.57 11.12 0.00 -0.81 -4.57 121.76 126.12 1dfd s ALA 26 Ca 0.09 2.36 -0.18 0.00 0.00 0.00 0.00 51.96 54.23 1dfd s ALA 26 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1dfd s ALA 26 CO 0.00 -0.37 1.09 0.00 0.00 0.00 0.00 175.76 176.48 1dfd s MET 27 N 1.48 3.30 0.23 0.00 0.23 -1.26 -0.87 119.30 122.42 1dfd s MET 27 Ca -0.09 1.43 0.08 0.00 -1.03 0.00 0.00 55.69 56.07 1dfd s MET 27 Cb -0.05 -2.01 -0.05 0.00 -1.53 0.00 0.00 34.83 31.19 1dfd s MET 27 CO -0.18 -0.86 -0.13 0.34 -2.03 0.00 0.00 175.02 172.17 1dfd s ASP 28 N -2.22 2.67 0.25 -1.18 2.15 -0.96 -4.81 116.67 112.57 1dfd s ASP 28 Ca 0.68 -1.06 0.24 0.00 0.43 0.00 0.00 52.55 52.84 1dfd s ASP 28 Cb -0.20 -0.15 0.31 0.00 -0.30 0.00 0.00 42.92 42.58 1dfd s ASP 28 CO 0.31 -0.20 1.39 1.55 -0.17 0.00 0.00 175.17 178.05 1dfd h PRO 29 N 2.47 0.00 0.00 4.34 0.13 -1.94 3.75 132.00 140.76 1dfd h PRO 29 Ca -0.39 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.49 1dfd h PRO 29 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1dfd h PRO 29 CO 0.63 0.00 -1.62 0.39 -0.23 0.00 0.00 178.00 177.17 1dfd n GLU 30 N -2.59 0.63 0.00 0.86 1.02 -1.26 -3.79 120.64 115.51 1dfd n GLU 30 Ca 0.03 0.27 0.07 0.00 -0.02 0.00 0.00 57.16 57.51 1dfd n GLU 30 Cb 0.50 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 1dfd n GLU 30 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1dfd n ILE 31 N -2.99 0.00 -2.83 -3.67 -5.35 -1.20 -4.95 119.36 98.36 1dfd n ILE 31 Ca -0.15 -0.37 -0.18 0.00 -0.27 0.00 0.00 62.75 61.78 1dfd n ILE 31 Cb 0.98 1.19 -0.03 0.00 -1.74 0.00 0.00 39.64 40.04 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 0.01 -1.17 -3.55 6.28 1.02 1.24 -4.69 120.64 119.78 1dfd n GLU 32 Ca 0.06 0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 57.11 1dfd n GLU 32 Cb 0.32 -2.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.02 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 -4.13 0.92 0.34 3.49 -0.14 -1.04 -4.79 119.74 114.40 1dfd s LYS 33 Ca 0.36 0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 55.04 1dfd s LYS 33 Cb -0.21 0.44 -0.11 0.00 -1.68 0.00 0.00 37.83 36.27 1dfd s LYS 33 CO 0.44 -0.26 1.49 0.00 -0.76 0.00 0.00 175.35 176.26 1dfd s ALA 34 N -0.90 3.61 0.02 5.17 0.00 -1.26 -2.28 121.76 126.13 1dfd s ALA 34 Ca -0.07 1.52 0.03 0.00 0.00 0.00 0.00 51.96 53.44 1dfd s ALA 34 Cb -0.01 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 1dfd s ALA 34 CO 0.07 -0.97 -0.11 1.52 0.00 0.00 0.00 175.76 176.27 1dfd s TYR 35 N -0.77 0.94 -0.90 0.00 1.13 -0.05 -4.26 117.35 113.44 1dfd s TYR 35 Ca 0.55 -0.31 -0.21 0.00 -1.41 0.00 0.00 57.07 55.70 1dfd s TYR 35 Cb -0.46 -0.57 0.09 0.00 -1.10 0.00 0.00 41.96 39.93 1dfd s TYR 35 CO 0.57 -0.01 1.19 0.08 -2.51 0.00 0.00 175.55 174.87 1dfd s VAL 36 N -0.72 4.40 -0.14 -3.49 1.01 -1.24 -1.92 120.40 118.31 1dfd s VAL 36 Ca -0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.82 1dfd s VAL 36 Cb -0.07 -4.84 -0.06 0.00 0.00 0.00 0.00 36.38 31.41 1dfd s VAL 36 CO 0.01 -1.63 -0.22 0.29 0.00 0.00 0.00 175.10 173.55 1dfd n LYS 37 N 7.48 0.35 -2.52 2.72 4.76 0.45 -4.61 118.16 126.79 1dfd n LYS 37 Ca 0.20 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.36 1dfd n LYS 37 Cb 0.49 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1dfd n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1dfd n ASP 38 N -3.88 4.92 -0.25 4.39 2.03 -1.13 -4.77 116.55 117.85 1dfd n ASP 38 Ca -0.26 -2.98 0.29 0.00 0.52 0.00 0.00 54.79 52.37 1dfd n ASP 38 Cb 0.60 -1.61 0.68 0.00 -0.72 0.00 0.00 41.12 40.08 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 4.55 0.51 0.00 5.18 -1.51 -1.86 1.87 116.25 124.99 1dfd h VAL 39 Ca 0.41 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 1dfd h VAL 39 Cb 0.78 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1dfd h VAL 39 CO 1.49 0.02 0.00 -0.62 -1.23 0.00 0.00 177.57 177.23 1dfd n GLU 40 N -4.31 0.30 -0.06 5.19 1.02 -1.26 -2.99 120.64 118.53 1dfd n GLU 40 Ca 0.22 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.45 1dfd n GLU 40 Cb 1.01 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 31.31 1dfd n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfd n GLY 41 N 1.29 -0.18 3.20 0.62 0.00 0.63 -4.71 105.19 106.04 1dfd n GLY 41 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1dfd n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfd s ALA 42 N -1.84 -1.32 0.96 4.61 0.00 -1.16 -3.78 121.76 119.22 1dfd s ALA 42 Ca 0.27 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 1dfd s ALA 42 Cb 0.14 -1.53 0.17 0.00 0.00 0.00 0.00 23.12 21.89 1dfd s ALA 42 CO 0.21 -0.96 1.09 -1.12 0.00 0.00 0.00 175.76 174.99 1dfd s SER 43 N 2.64 2.77 0.26 0.00 0.01 -1.26 -4.31 113.70 113.81 1dfd s SER 43 Ca 0.04 1.77 -0.02 0.00 1.31 0.00 0.00 55.95 59.04 1dfd s SER 43 Cb -0.13 -2.37 0.54 0.00 0.21 0.00 0.00 66.02 64.27 1dfd s SER 43 CO -0.15 -3.13 1.71 -0.61 0.41 0.00 0.00 173.24 171.47 1dfd h GLN 44 N -1.88 0.38 0.00 12.44 4.15 -1.98 1.87 115.11 130.09 1dfd h GLN 44 Ca -0.50 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1dfd h GLN 44 Cb 1.29 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1dfd h GLN 44 CO 0.49 0.25 0.00 0.39 -1.93 0.00 0.00 178.83 178.03 1dfd n GLU 45 N -5.05 0.04 -0.13 1.69 -0.58 -1.26 -0.10 120.64 115.25 1dfd n GLU 45 Ca 0.17 0.27 -0.22 0.00 -0.42 0.00 0.00 57.16 56.96 1dfd n GLU 45 Cb 0.50 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.76 1dfd n GLU 45 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1dfd n GLU 46 N -1.44 0.63 -0.23 3.49 1.02 0.57 -2.41 120.64 122.27 1dfd n GLU 46 Ca 0.03 0.19 -0.06 0.00 -0.02 0.00 0.00 57.16 57.30 1dfd n GLU 46 Cb 0.12 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.06 1dfd n GLU 46 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1dfd h VAL 47 N -0.31 1.21 0.00 2.62 2.07 0.82 0.24 116.25 122.91 1dfd h VAL 47 Ca -0.61 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1dfd h VAL 47 Cb 1.81 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1dfd h VAL 47 CO -0.19 0.24 -0.00 -0.33 0.02 0.00 0.00 177.57 177.31 1dfd h GLU 48 N 0.88 -0.00 -0.61 1.57 5.08 -0.69 -1.67 114.58 119.14 1dfd h GLU 48 Ca 0.22 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 1dfd h GLU 48 Cb 0.07 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 1dfd h GLU 48 CO -0.03 0.66 0.20 0.93 -1.00 0.00 0.00 179.01 179.77 1dfd h GLU 49 N -0.68 0.36 0.00 2.33 4.39 -1.33 1.00 114.58 120.65 1dfd h GLU 49 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1dfd h GLU 49 Cb 0.67 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1dfd h GLU 49 CO 0.00 0.24 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 1dfd n ALA 50 N -2.50 1.68 0.18 3.43 0.00 0.83 -1.95 120.51 122.19 1dfd n ALA 50 Ca 0.09 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1dfd n ALA 50 Cb 0.29 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 18.49 1dfd n ALA 50 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1dfd h MET 51 N 0.00 0.00 0.02 0.00 -1.53 0.20 -3.32 114.93 110.30 1dfd h MET 51 Ca 0.00 0.00 -0.36 0.00 -3.44 0.00 0.00 59.70 55.90 1dfd h MET 51 Cb 0.35 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.34 1dfd h MET 51 CO 0.00 0.18 -2.21 -3.47 0.14 0.00 0.00 176.91 171.56 1dfd n ASP 52 N -3.12 1.07 -0.03 1.39 2.03 -0.78 -4.41 116.55 112.70 1dfd n ASP 52 Ca 0.03 0.08 -0.10 0.00 0.52 0.00 0.00 54.79 55.32 1dfd n ASP 52 Cb 0.61 0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 1dfd n ASP 52 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dfd h THR 53 N 0.01 0.28 -2.00 5.18 1.35 -1.53 -3.41 112.91 112.78 1dfd h THR 53 Ca -0.48 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 64.75 1dfd h THR 53 Cb 2.07 0.28 0.12 0.00 -1.73 0.00 0.00 68.15 68.88 1dfd h THR 53 CO 0.02 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.13 1dfd h PRO 55 N 1.50 -0.14 0.00 0.00 0.13 -1.94 -3.33 132.00 128.22 1dfd h PRO 55 Ca -0.36 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1dfd h PRO 55 Cb 1.38 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 1dfd h PRO 55 CO 0.58 -0.09 -0.05 0.28 -0.23 0.00 0.00 178.00 178.49 1dfd h VAL 56 N -0.74 0.11 -4.58 1.56 2.07 -1.96 -3.48 116.25 109.23 1dfd h VAL 56 Ca -0.01 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1dfd h VAL 56 Cb 0.11 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1dfd h VAL 56 CO 0.02 0.05 -0.97 0.00 0.02 0.00 0.00 177.57 176.70 1dfd n GLN 57 N -3.14 -3.07 -0.08 1.57 6.02 -1.25 -4.97 117.38 112.46 1dfd n GLN 57 Ca 0.02 2.49 -0.06 0.00 -0.01 0.00 0.00 57.00 59.44 1dfd n GLN 57 Cb 0.42 -4.27 -0.16 0.00 1.02 0.00 0.00 30.24 27.25 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 -2.68 2.11 0.34 0.00 2.07 -1.26 -3.83 121.20 117.94 1dfd s ILE 59 Ca -0.09 0.06 -0.13 0.00 -1.41 0.00 0.00 60.65 59.08 1dfd s ILE 59 Cb 0.07 -2.93 0.05 0.00 0.13 0.00 0.00 42.46 39.79 1dfd s ILE 59 CO 0.83 -0.02 0.68 0.00 -1.91 0.00 0.00 174.94 174.52 1dfd n HIS 60 N -2.11 -2.18 -3.56 3.50 1.44 -0.68 -4.99 115.22 106.64 1dfd n HIS 60 Ca 0.15 -1.61 -0.19 0.00 -2.01 0.00 0.00 57.72 54.06 1dfd n HIS 60 Cb 0.49 0.80 -0.01 0.00 0.12 0.00 0.00 29.99 31.39 1dfd n HIS 60 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1dfd s TRP 61 N -3.10 3.08 -0.24 -1.40 0.52 -1.26 -1.57 118.94 114.98 1dfd s TRP 61 Ca 0.14 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 1dfd s TRP 61 Cb -0.04 -1.94 0.07 0.00 -1.15 0.00 0.00 33.47 30.41 1dfd s TRP 61 CO 0.10 0.05 0.00 -2.00 0.02 0.00 0.00 176.95 175.12 1dfd s GLU 62 N -4.13 1.20 -0.98 4.98 2.12 -0.61 -4.69 118.70 116.60 1dfd s GLU 62 Ca 0.44 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 1dfd s GLU 62 Cb -0.09 -2.40 0.32 0.00 0.26 0.00 0.00 34.13 32.22 1dfd s GLU 62 CO 0.30 -0.69 1.60 -3.47 -0.54 0.00 0.00 175.26 172.46 1dfd n ASP 63 N 4.78 6.67 0.00 -1.70 -0.08 -1.26 -1.20 116.55 123.76 1dfd n ASP 63 Ca -0.09 -3.61 0.00 0.00 -1.51 0.00 0.00 54.79 49.58 1dfd n ASP 63 Cb 0.44 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.80 1dfd n ASP 63 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53