#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 0.80 0.00 0.00 0.52 -1.26 -5.11 118.95 113.90 1dfd s ARG 2 Ca 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1dfd s ARG 2 Cb 0.00 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1dfd s ARG 2 CO 0.00 -0.25 0.00 1.17 0.02 0.00 0.00 175.30 176.24 1dfd n LYS 3 N 0.73 2.43 -3.60 3.54 4.81 -0.64 -4.97 118.16 120.46 1dfd n LYS 3 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1dfd n LYS 3 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 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 -0.30 0.00 -2.35 5.64 1.16 -1.25 -2.17 117.46 118.19 1dfd n PHE 4 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1dfd n PHE 4 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1dfd n PHE 4 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1dfd n TYR 5 N 2.81 0.00 -4.23 2.97 4.11 -0.38 -4.57 117.16 117.87 1dfd n TYR 5 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1dfd n TYR 5 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 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 -2.74 0.56 -0.67 -3.48 1.01 -1.26 -2.35 120.40 111.48 1dfd s VAL 6 Ca 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 61.98 59.95 1dfd s VAL 6 Cb 0.00 -2.14 0.17 0.00 0.00 0.00 0.00 36.38 34.42 1dfd s VAL 6 CO 0.00 -0.45 0.52 -1.81 0.00 0.00 0.00 175.10 173.36 1dfd s ASP 7 N -3.16 5.64 0.00 3.32 1.01 0.08 -4.76 116.67 118.81 1dfd s ASP 7 Ca 0.25 -2.77 -0.02 0.00 0.71 0.00 0.00 52.55 50.72 1dfd s ASP 7 Cb 0.06 -1.95 -0.07 0.00 1.01 0.00 0.00 42.92 41.97 1dfd s ASP 7 CO 0.04 -0.44 1.32 0.00 0.21 0.00 0.00 175.17 176.31 1dfd n GLN 8 N 3.68 0.57 -0.06 8.23 3.00 -1.26 -3.16 117.38 128.37 1dfd n GLN 8 Ca 0.09 -0.26 -0.09 0.00 -0.01 0.00 0.00 57.00 56.73 1dfd n GLN 8 Cb 0.40 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 28.98 1dfd n GLN 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1dfd n ASP 9 N 2.67 3.04 -1.81 1.08 2.03 -1.26 -4.52 116.55 117.78 1dfd n ASP 9 Ca 0.11 -0.07 0.06 0.00 0.52 0.00 0.00 54.79 55.41 1dfd n ASP 9 Cb 0.26 -0.19 0.38 0.00 -0.72 0.00 0.00 41.12 40.86 1dfd n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dfd n GLU 10 N -2.86 4.60 -3.08 -0.67 4.71 -1.19 -4.95 120.64 117.21 1dfd n GLU 10 Ca -0.22 -3.14 -0.39 0.00 -0.01 0.00 0.00 57.16 53.40 1dfd n GLU 10 Cb 0.73 -2.23 -0.05 0.00 -1.01 0.00 0.00 31.44 28.88 1dfd n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dfd n ILE 12 N 2.72 0.00 -1.77 0.00 -5.35 -1.26 -4.96 119.36 108.74 1dfd n ILE 12 Ca -0.04 -0.27 -0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1dfd n ILE 12 Cb 0.50 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 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 -0.46 -1.79 0.69 -1.28 0.00 -1.26 -4.99 120.51 111.43 1dfd n ALA 13 Ca 0.06 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1dfd n ALA 13 Cb 0.32 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.51 0.00 0.14 0.00 2.13 -1.26 -4.90 120.64 115.24 1dfd n GLU 15 Ca 0.02 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.79 1dfd n GLU 15 Cb 0.29 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.26 1dfd n GLU 15 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1dfd h SER 16 N 0.00 -0.31 -0.70 4.31 4.64 -1.93 -1.67 113.55 117.90 1dfd h SER 16 Ca 0.00 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 1dfd h SER 16 Cb 0.00 0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 1dfd h SER 16 CO 0.00 -0.21 0.35 0.00 -0.87 0.00 0.00 176.83 176.10 1dfd h VAL 18 N 0.60 0.00 0.15 0.00 2.07 -1.77 0.21 116.25 117.51 1dfd h VAL 18 Ca 0.34 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.54 1dfd h VAL 18 Cb 0.36 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1dfd h VAL 18 CO -0.26 0.00 -1.65 -0.08 0.02 0.00 0.00 177.57 175.60 1dfd h GLU 19 N 0.00 0.32 -0.63 1.57 4.22 0.95 0.62 114.58 121.63 1dfd h GLU 19 Ca 0.00 -0.55 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1dfd h GLU 19 Cb 0.56 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1dfd h GLU 19 CO 0.00 1.26 0.00 -0.89 -2.18 0.00 0.00 179.01 177.20 1dfd n ILE 20 N -3.72 0.62 -2.66 2.32 5.41 0.13 -4.13 119.36 117.33 1dfd n ILE 20 Ca -0.26 -0.37 -0.03 0.00 1.00 0.00 0.00 62.75 63.10 1dfd n ILE 20 Cb 1.00 -0.22 0.12 0.00 -0.71 0.00 0.00 39.64 39.83 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 0.17 -3.17 1.42 -1.39 0.00 0.50 -4.24 120.51 113.79 1dfd n ALA 21 Ca 0.08 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.25 1dfd n ALA 21 Cb 0.40 -3.15 0.67 0.00 0.00 0.00 0.00 19.45 17.38 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 0.48 0.70 -0.03 0.00 -0.04 0.21 -0.62 135.00 135.70 1dfd n PRO 22 Ca -0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1dfd n PRO 22 Cb 0.76 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.43 -0.43 0.15 0.55 0.00 -1.21 -4.74 105.19 99.93 1dfd n GLY 23 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.17 1.29 -2.35 4.61 0.00 -1.08 -4.30 120.51 116.52 1dfd n ALA 24 Ca -0.10 -1.09 -0.38 0.00 0.00 0.00 0.00 53.44 51.86 1dfd n ALA 24 Cb 0.61 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.50 3.77 -0.30 0.00 2.19 0.21 -1.50 117.98 119.84 1dfd s PHE 25 Ca -0.37 1.17 -0.12 0.00 0.33 0.00 0.00 56.93 57.94 1dfd s PHE 25 Cb 0.13 -2.42 0.15 0.00 -1.31 0.00 0.00 43.02 39.57 1dfd s PHE 25 CO 0.51 0.59 0.80 0.00 1.83 0.00 0.00 175.22 178.96 1dfd s ALA 26 N -1.13 -2.36 0.71 11.12 0.00 -0.79 -4.46 121.76 124.85 1dfd s ALA 26 Ca 0.28 2.19 -0.16 0.00 0.00 0.00 0.00 51.96 54.27 1dfd s ALA 26 Cb -0.18 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1dfd s ALA 26 CO 0.17 -0.96 1.26 1.41 0.00 0.00 0.00 175.76 177.65 1dfd s MET 27 N 2.71 2.19 0.21 0.00 1.75 -1.26 -2.28 119.30 122.63 1dfd s MET 27 Ca -0.04 1.96 0.08 0.00 -1.25 0.00 0.00 55.69 56.44 1dfd s MET 27 Cb -0.09 -1.82 -0.05 0.00 2.84 0.00 0.00 34.83 35.71 1dfd s MET 27 CO -0.18 -1.84 -0.15 0.34 -0.65 0.00 0.00 175.02 172.54 1dfd s ASP 28 N -1.67 2.67 0.20 1.11 2.15 -0.94 -4.80 116.67 115.39 1dfd s ASP 28 Ca 0.79 -1.03 0.24 0.00 0.43 0.00 0.00 52.55 52.99 1dfd s ASP 28 Cb -0.34 -0.15 0.45 0.00 -0.30 0.00 0.00 42.92 42.57 1dfd s ASP 28 CO 0.44 -0.16 1.47 1.55 -0.17 0.00 0.00 175.17 178.30 1dfd h PRO 29 N 2.53 0.00 0.00 4.34 0.13 -1.94 3.34 132.00 140.39 1dfd h PRO 29 Ca -0.38 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.50 1dfd h PRO 29 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1dfd h PRO 29 CO 0.62 0.00 -1.76 0.39 -0.23 0.00 0.00 178.00 177.02 1dfd n GLU 30 N -2.36 0.64 0.00 0.86 -0.58 -1.26 -3.89 120.64 114.05 1dfd n GLU 30 Ca 0.04 0.18 0.07 0.00 -0.42 0.00 0.00 57.16 57.03 1dfd n GLU 30 Cb 0.46 -1.73 0.05 0.00 -0.57 0.00 0.00 31.44 29.65 1dfd n GLU 30 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1dfd n ILE 31 N -2.89 0.00 -2.96 -3.67 -5.35 -1.20 -4.96 119.36 98.34 1dfd n ILE 31 Ca -0.17 -0.48 -0.17 0.00 -0.27 0.00 0.00 62.75 61.66 1dfd n ILE 31 Cb 0.98 1.27 -0.04 0.00 -1.74 0.00 0.00 39.64 40.10 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 0.61 -0.90 -3.59 6.28 1.02 1.11 -4.67 120.64 120.49 1dfd n GLU 32 Ca 0.08 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1dfd n GLU 32 Cb 0.33 -1.93 -0.05 0.00 -0.02 0.00 0.00 31.44 29.77 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 -4.05 0.54 0.46 3.49 1.02 -1.04 -4.81 119.74 115.35 1dfd s LYS 33 Ca 0.27 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.22 1dfd s LYS 33 Cb -0.16 0.26 -0.08 0.00 -0.52 0.00 0.00 37.83 37.32 1dfd s LYS 33 CO 0.45 -0.15 1.26 0.00 -0.92 0.00 0.00 175.35 175.99 1dfd n ALA 34 N 0.97 1.28 -3.04 5.17 0.00 -1.26 -2.22 120.51 121.40 1dfd n ALA 34 Ca -0.10 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1dfd n ALA 34 Cb 0.58 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.24 -0.09 -0.91 0.00 1.13 -0.96 -4.42 117.35 110.85 1dfd s TYR 35 Ca 0.64 0.21 -0.21 0.00 -1.41 0.00 0.00 57.07 56.30 1dfd s TYR 35 Cb -0.48 0.02 0.10 0.00 -1.10 0.00 0.00 41.96 40.49 1dfd s TYR 35 CO 0.56 -0.14 1.21 0.08 -2.51 0.00 0.00 175.55 174.74 1dfd s VAL 36 N -0.38 4.40 -0.31 -3.49 1.01 -1.26 -1.88 120.40 118.50 1dfd s VAL 36 Ca -0.05 -1.11 0.17 0.00 0.00 0.00 0.00 61.98 61.00 1dfd s VAL 36 Cb -0.03 -4.85 -0.23 0.00 0.00 0.00 0.00 36.38 31.26 1dfd s VAL 36 CO 0.01 -1.64 0.50 2.29 0.00 0.00 0.00 175.10 176.26 1dfd n LYS 37 N 7.48 0.89 -3.72 2.72 2.85 -0.56 -4.65 118.16 123.17 1dfd n LYS 37 Ca 0.22 -0.10 -0.30 0.00 -1.05 0.00 0.00 58.31 57.09 1dfd n LYS 37 Cb 0.49 -1.36 -0.13 0.00 -0.65 0.00 0.00 35.03 33.38 1dfd n LYS 37 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1dfd s ASP 38 N -3.45 3.71 0.27 -5.58 2.15 -1.13 -4.96 116.67 107.67 1dfd s ASP 38 Ca -0.02 -2.53 -0.03 0.00 0.43 0.00 0.00 52.55 50.40 1dfd s ASP 38 Cb 0.12 -1.03 0.38 0.00 -0.30 0.00 0.00 42.92 42.08 1dfd s ASP 38 CO 0.70 -0.28 1.90 -0.37 -0.17 0.00 0.00 175.17 176.95 1dfd h VAL 39 N 5.38 1.15 0.00 1.11 -1.51 -1.86 0.20 116.25 120.71 1dfd h VAL 39 Ca -0.02 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1dfd h VAL 39 Cb 0.94 -0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 1dfd h VAL 39 CO 0.48 0.22 0.00 1.05 -1.23 0.00 0.00 177.57 178.10 1dfd h GLU 40 N 1.22 0.00 0.00 5.19 4.11 -1.93 -1.00 114.58 122.18 1dfd h GLU 40 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1dfd h GLU 40 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1dfd h GLU 40 CO -0.14 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.35 1dfd n GLY 41 N -0.66 -0.83 3.15 1.06 0.00 0.71 -4.50 105.19 104.12 1dfd n GLY 41 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 -2.35 1.00 4.61 0.00 -0.38 -2.62 121.76 120.02 1dfd s ALA 42 Ca 0.37 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1dfd s ALA 42 Cb 0.17 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1dfd s ALA 42 CO 0.28 -1.64 0.07 0.43 0.00 0.00 0.00 175.76 174.91 1dfd n SER 43 N 5.42 -2.71 -0.18 0.00 7.64 -1.26 -3.70 113.62 118.83 1dfd n SER 43 Ca 0.03 0.19 -0.02 0.00 1.01 0.00 0.00 58.87 60.07 1dfd n SER 43 Cb 0.53 -1.06 0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1dfd n SER 43 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1dfd h GLN 44 N -1.58 -0.01 0.00 1.43 3.07 -1.98 1.63 115.11 117.67 1dfd h GLN 44 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1dfd h GLN 44 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1dfd h GLN 44 CO 0.33 -0.01 0.00 0.39 0.09 0.00 0.00 178.83 179.63 1dfd n GLU 45 N -5.39 0.10 -0.11 0.06 -0.58 -1.26 -0.32 120.64 113.15 1dfd n GLU 45 Ca 0.05 0.52 -0.20 0.00 -0.42 0.00 0.00 57.16 57.11 1dfd n GLU 45 Cb 0.29 -1.78 -0.08 0.00 -0.57 0.00 0.00 31.44 29.30 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 -1.98 0.55 -0.32 3.49 1.02 0.49 -2.39 120.64 121.50 1dfd n GLU 46 Ca 0.00 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.70 1dfd n GLU 46 Cb 0.08 -1.64 0.32 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.00 0.84 0.31 2.62 2.07 0.72 0.28 116.25 122.09 1dfd h VAL 47 Ca -0.35 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1dfd h VAL 47 Cb 1.21 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1dfd h VAL 47 CO -0.21 0.15 -0.15 -0.33 0.02 0.00 0.00 177.57 177.05 1dfd h GLU 48 N 0.81 -0.41 -0.36 1.57 5.08 -0.82 -0.88 114.58 119.58 1dfd h GLU 48 Ca 0.49 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.95 1dfd h GLU 48 Cb 0.68 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 1dfd h GLU 48 CO -0.26 -0.07 -0.07 0.93 -1.00 0.00 0.00 179.01 178.54 1dfd h GLU 49 N -0.87 0.02 0.00 2.33 4.39 -1.01 0.95 114.58 120.39 1dfd h GLU 49 Ca -0.04 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1dfd h GLU 49 Cb 0.52 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1dfd h GLU 49 CO 0.07 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 177.93 1dfd n ALA 50 N -2.61 1.38 0.03 3.43 0.00 0.90 -2.22 120.51 121.42 1dfd n ALA 50 Ca 0.01 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1dfd n ALA 50 Cb 0.20 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 0.28 0.00 0.00 -1.53 0.24 -3.34 114.93 110.57 1dfd h MET 51 Ca 0.00 -0.47 -0.04 0.00 -3.44 0.00 0.00 59.70 55.75 1dfd h MET 51 Cb 0.16 0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 1dfd h MET 51 CO 0.00 1.23 -0.19 0.22 0.14 0.00 0.00 176.91 178.30 1dfd h ASP 52 N -0.30 0.00 0.30 1.39 1.82 -0.83 -2.98 116.42 115.82 1dfd h ASP 52 Ca -0.25 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1dfd h ASP 52 Cb 1.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.76 1dfd h ASP 52 CO 0.10 0.19 0.00 1.07 -1.61 0.00 0.00 179.24 178.99 1dfd n THR 53 N -3.21 0.61 -3.09 2.25 5.66 -0.94 -4.70 114.28 110.87 1dfd n THR 53 Ca 0.02 0.15 -0.39 0.00 -3.05 0.00 0.00 64.05 60.78 1dfd n THR 53 Cb 0.53 -0.90 -0.06 0.00 -1.55 0.00 0.00 70.33 68.34 1dfd n THR 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dfd h PRO 55 N 4.40 0.04 0.00 0.00 0.13 -1.90 -3.32 132.00 131.36 1dfd h PRO 55 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1dfd h PRO 55 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dfd h PRO 55 CO 0.65 0.74 -1.02 0.28 -0.23 0.00 0.00 178.00 178.42 1dfd n VAL 56 N -4.71 0.03 0.00 1.56 0.31 -1.26 -4.99 118.33 109.28 1dfd n VAL 56 Ca -0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1dfd n VAL 56 Cb 0.37 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 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 -1.66 0.00 -2.65 5.55 6.02 -1.25 -4.72 117.38 118.67 1dfd n GLN 57 Ca 0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.81 1dfd n GLN 57 Cb 0.37 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.64 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 3.73 -0.19 0.00 2.07 -1.26 -0.74 121.20 121.75 1dfd s ILE 59 Ca 0.12 -1.55 -0.15 0.00 -1.41 0.00 0.00 60.65 57.66 1dfd s ILE 59 Cb -0.05 -2.93 0.05 0.00 0.13 0.00 0.00 42.46 39.67 1dfd s ILE 59 CO 0.15 -0.21 0.50 -1.00 -1.91 0.00 0.00 174.94 172.47 1dfd s HIS 60 N -1.93 -0.62 0.77 3.50 3.76 -0.99 -4.92 115.29 114.86 1dfd s HIS 60 Ca 0.29 1.42 -0.12 0.00 -0.15 0.00 0.00 55.06 56.50 1dfd s HIS 60 Cb -0.08 0.25 0.06 0.00 1.11 0.00 0.00 32.58 33.92 1dfd s HIS 60 CO 0.20 -0.31 1.13 -1.58 -0.85 0.00 0.00 174.74 173.32 1dfd s TRP 61 N 0.68 3.05 -0.13 1.40 0.52 -1.26 -1.25 118.94 121.96 1dfd s TRP 61 Ca -0.03 0.95 -0.01 0.00 0.02 0.00 0.00 56.10 57.02 1dfd s TRP 61 Cb -0.05 -3.25 0.04 0.00 -1.15 0.00 0.00 33.47 29.06 1dfd s TRP 61 CO -0.05 -1.58 -0.02 -2.00 0.02 0.00 0.00 176.95 173.32 1dfd s GLU 62 N -5.39 0.99 -0.18 4.98 2.12 -0.92 -4.69 118.70 115.60 1dfd s GLU 62 Ca 0.60 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.74 1dfd s GLU 62 Cb -0.12 -1.57 -0.12 0.00 0.26 0.00 0.00 34.13 32.58 1dfd s GLU 62 CO 0.51 -0.40 -0.14 -0.25 -0.54 0.00 0.00 175.26 174.45 1dfd n ASP 63 N 5.02 2.51 0.00 -1.70 8.00 -1.26 -1.62 116.55 127.50 1dfd n ASP 63 Ca -0.10 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1dfd n ASP 63 Cb 0.49 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1dfd n ASP 63 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02