#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 3.08 0.00 0.00 1.70 -1.26 -4.37 118.95 118.10 1dfd s ARG 2 Ca 0.00 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 1dfd s ARG 2 Cb 0.00 -4.19 0.00 0.00 -0.57 0.00 0.00 34.95 30.19 1dfd s ARG 2 CO 0.00 -1.42 0.00 1.17 -1.08 0.00 0.00 175.30 173.97 1dfd n LYS 3 N 6.35 3.56 -3.11 3.89 4.81 0.28 -4.88 118.16 129.06 1dfd n LYS 3 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1dfd n LYS 3 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 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 -3.27 5.64 -1.74 -1.25 -0.53 117.46 116.31 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 0.03 0.00 -3.64 2.97 4.11 -0.52 -4.62 117.16 115.49 1dfd n TYR 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1dfd n TYR 5 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1dfd n TYR 5 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1dfd n VAL 6 N 2.39 0.00 -3.31 -3.48 0.31 -1.26 -2.16 118.33 110.82 1dfd n VAL 6 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1dfd n VAL 6 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1dfd n VAL 6 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1dfd s ASP 7 N -0.27 0.50 0.00 4.52 1.11 -0.95 -4.91 116.67 116.67 1dfd s ASP 7 Ca 0.00 -0.52 -0.01 0.00 0.18 0.00 0.00 52.55 52.20 1dfd s ASP 7 Cb 0.00 1.04 -0.02 0.00 1.07 0.00 0.00 42.92 45.00 1dfd s ASP 7 CO 0.00 -0.35 0.78 0.00 1.18 0.00 0.00 175.17 176.78 1dfd n GLN 8 N 5.24 0.34 -0.09 8.23 3.00 -1.26 -3.26 117.38 129.58 1dfd n GLN 8 Ca 0.02 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.83 1dfd n GLN 8 Cb 0.49 -1.46 -0.16 0.00 0.00 0.00 0.00 30.24 29.11 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 2.20 0.05 -0.51 1.08 2.03 -1.26 -4.34 116.55 115.80 1dfd n ASP 9 Ca 0.04 0.02 0.06 0.00 0.52 0.00 0.00 54.79 55.43 1dfd n ASP 9 Cb 0.16 0.97 0.19 0.00 -0.72 0.00 0.00 41.12 41.72 1dfd n ASP 9 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1dfd n GLU 10 N -2.75 1.62 -3.13 -0.67 4.07 -1.20 -5.00 120.64 113.58 1dfd n GLU 10 Ca -0.31 -3.00 -0.41 0.00 -0.06 0.00 0.00 57.16 53.39 1dfd n GLU 10 Cb 1.13 -1.62 -0.07 0.00 -0.06 0.00 0.00 31.44 30.83 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 5.26 0.22 -3.00 0.00 -5.35 -1.26 -4.94 119.36 110.28 1dfd n ILE 12 Ca -0.01 -0.32 -0.06 0.00 -0.27 0.00 0.00 62.75 62.08 1dfd n ILE 12 Cb 0.49 0.29 0.03 0.00 -1.74 0.00 0.00 39.64 38.71 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 0.23 -2.37 0.89 -1.28 0.00 -1.26 -4.94 120.51 111.78 1dfd n ALA 13 Ca 0.15 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.74 1dfd n ALA 13 Cb 0.30 -3.26 -0.10 0.00 0.00 0.00 0.00 19.45 16.38 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 -1.41 -0.40 0.01 0.00 2.13 -1.26 -4.89 120.64 114.82 1dfd n GLU 15 Ca 0.04 0.10 -0.00 0.00 0.66 0.00 0.00 57.16 57.95 1dfd n GLU 15 Cb 0.30 -3.64 -0.00 0.00 0.27 0.00 0.00 31.44 28.36 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 -0.02 -0.25 4.31 4.64 -1.99 -0.95 113.55 119.29 1dfd h SER 16 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1dfd h SER 16 Cb 0.20 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.22 1dfd h SER 16 CO 0.00 -0.02 -0.37 0.00 -0.87 0.00 0.00 176.83 175.57 1dfd h VAL 18 N -0.38 0.34 -0.15 0.00 2.07 -1.80 1.67 116.25 118.01 1dfd h VAL 18 Ca 0.12 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 67.44 1dfd h VAL 18 Cb 0.58 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1dfd h VAL 18 CO -0.46 0.02 -0.54 -0.33 0.02 0.00 0.00 177.57 176.29 1dfd h GLU 19 N 0.14 0.43 -0.03 1.57 5.08 0.15 2.50 114.58 124.41 1dfd h GLU 19 Ca 0.66 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1dfd h GLU 19 Cb 2.26 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1dfd h GLU 19 CO -0.18 0.86 0.00 -0.89 -1.00 0.00 0.00 179.01 177.80 1dfd n ILE 20 N -3.95 0.04 0.00 3.13 5.41 0.56 -4.26 119.36 120.28 1dfd n ILE 20 Ca -0.03 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1dfd n ILE 20 Cb 0.59 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.38 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 -0.57 0.00 1.19 -1.39 0.00 -0.30 -4.75 120.51 114.70 1dfd n ALA 21 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.64 1dfd n ALA 21 Cb 0.08 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.60 -0.07 0.00 -0.04 0.83 -1.18 135.00 135.13 1dfd n PRO 22 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1dfd n PRO 22 Cb 0.00 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.19 -0.91 0.54 0.55 0.00 -1.26 -4.72 105.19 99.58 1dfd n GLY 23 Ca 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.76 1.98 -1.80 4.61 0.00 -1.10 -4.70 120.51 116.75 1dfd n ALA 24 Ca -0.29 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.21 1dfd n ALA 24 Cb 1.10 0.25 -0.04 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.35 3.64 -0.28 0.00 2.19 -0.33 -3.26 117.98 117.59 1dfd s PHE 25 Ca -0.19 1.72 -0.25 0.00 0.33 0.00 0.00 56.93 58.53 1dfd s PHE 25 Cb 0.06 -3.24 0.15 0.00 -1.31 0.00 0.00 43.02 38.67 1dfd s PHE 25 CO 0.25 -0.42 1.19 0.00 1.83 0.00 0.00 175.22 178.06 1dfd s ALA 26 N -1.04 -2.06 0.71 11.12 0.00 -1.06 -4.42 121.76 125.01 1dfd s ALA 26 Ca 0.45 1.79 -0.12 0.00 0.00 0.00 0.00 51.96 54.08 1dfd s ALA 26 Cb -0.31 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.31 1dfd s ALA 26 CO 0.39 -0.19 1.08 -1.64 0.00 0.00 0.00 175.76 175.40 1dfd s MET 27 N 0.05 2.65 0.23 0.00 -1.94 -1.26 0.29 119.30 119.32 1dfd s MET 27 Ca 0.05 1.17 0.07 0.00 -1.71 0.00 0.00 55.69 55.27 1dfd s MET 27 Cb -0.05 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.80 1dfd s MET 27 CO -0.09 -1.34 -0.12 0.34 -0.01 0.00 0.00 175.02 173.80 1dfd s ASP 28 N -3.25 2.63 0.19 3.03 2.15 -0.97 -4.79 116.67 115.66 1dfd s ASP 28 Ca 0.62 -1.07 0.24 0.00 0.43 0.00 0.00 52.55 52.77 1dfd s ASP 28 Cb -0.17 -0.14 0.43 0.00 -0.30 0.00 0.00 42.92 42.74 1dfd s ASP 28 CO 0.51 -0.22 1.45 1.55 -0.17 0.00 0.00 175.17 178.28 1dfd h PRO 29 N 2.47 0.00 0.00 4.34 0.13 -1.94 3.38 132.00 140.38 1dfd h PRO 29 Ca -0.39 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.45 1dfd h PRO 29 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1dfd h PRO 29 CO 0.63 0.00 -1.78 -1.91 -0.23 0.00 0.00 178.00 174.71 1dfd n GLU 30 N -2.35 0.64 0.00 0.86 0.00 -1.26 -3.90 120.64 114.63 1dfd n GLU 30 Ca 0.04 0.25 0.08 0.00 0.00 0.00 0.00 57.16 57.52 1dfd n GLU 30 Cb 0.46 -1.76 -0.01 0.00 0.00 0.00 0.00 31.44 30.13 1dfd n GLU 30 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1dfd n ILE 31 N -2.99 0.00 -3.60 6.31 -5.35 -1.21 -4.96 119.36 107.57 1dfd n ILE 31 Ca -0.18 -0.32 -0.28 0.00 -0.27 0.00 0.00 62.75 61.70 1dfd n ILE 31 Cb 1.05 1.16 -0.06 0.00 -1.74 0.00 0.00 39.64 40.06 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 -0.26 -0.83 -3.60 6.28 -0.58 1.12 -4.71 120.64 118.06 1dfd n GLU 32 Ca 0.06 0.09 -0.09 0.00 -0.42 0.00 0.00 57.16 56.80 1dfd n GLU 32 Cb 0.32 -3.09 -0.06 0.00 -0.57 0.00 0.00 31.44 28.04 1dfd n GLU 32 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1dfd s LYS 33 N -5.36 0.50 0.46 3.49 1.02 -1.04 -4.80 119.74 114.01 1dfd s LYS 33 Ca 0.48 0.27 -0.21 0.00 0.02 0.00 0.00 55.97 56.53 1dfd s LYS 33 Cb -0.28 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.15 1dfd s LYS 33 CO 0.70 -0.13 0.61 0.00 -0.92 0.00 0.00 175.35 175.61 1dfd n ALA 34 N 1.23 -1.16 -3.72 5.17 0.00 -1.26 -2.30 120.51 118.47 1dfd n ALA 34 Ca -0.10 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1dfd n ALA 34 Cb 0.57 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 1dfd n ALA 34 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1dfd n TYR 35 N -1.03 -0.17 -3.82 0.00 0.18 0.14 -4.50 117.16 107.96 1dfd n TYR 35 Ca 0.11 -1.21 -0.30 0.00 1.88 0.00 0.00 57.90 58.38 1dfd n TYR 35 Cb 0.42 0.07 -0.14 0.00 -0.38 0.00 0.00 39.34 39.31 1dfd n TYR 35 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1dfd s VAL 36 N -2.43 1.79 -0.22 -3.48 1.01 -1.26 -2.56 120.40 113.25 1dfd s VAL 36 Ca 0.14 -2.61 -0.06 0.00 0.00 0.00 0.00 61.98 59.45 1dfd s VAL 36 Cb 0.01 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.01 1dfd s VAL 36 CO 0.10 -0.80 -0.25 0.29 0.00 0.00 0.00 175.10 174.44 1dfd n LYS 37 N 3.67 0.49 -3.27 2.72 4.76 -1.20 -4.80 118.16 120.53 1dfd n LYS 37 Ca 0.06 0.17 -0.40 0.00 -2.87 0.00 0.00 58.31 55.27 1dfd n LYS 37 Cb 0.36 -1.35 -0.08 0.00 -1.84 0.00 0.00 35.03 32.12 1dfd n LYS 37 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1dfd s ASP 38 N -6.63 6.35 0.30 4.39 -1.08 -1.25 -4.91 116.67 113.84 1dfd s ASP 38 Ca -0.30 0.28 0.25 0.00 -0.52 0.00 0.00 52.55 52.25 1dfd s ASP 38 Cb 0.10 -2.26 0.58 0.00 -1.46 0.00 0.00 42.92 39.88 1dfd s ASP 38 CO 0.43 -0.33 1.67 -0.37 0.52 0.00 0.00 175.17 177.09 1dfd h VAL 39 N 5.47 0.00 -0.17 1.11 -1.51 -1.94 -3.13 116.25 116.08 1dfd h VAL 39 Ca -0.29 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1dfd h VAL 39 Cb 1.14 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1dfd h VAL 39 CO 0.72 0.00 0.00 1.21 -1.23 0.00 0.00 177.57 178.27 1dfd n GLU 40 N -2.62 2.05 0.00 5.19 4.07 -1.26 -4.24 120.64 123.83 1dfd n GLU 40 Ca 0.05 -1.91 0.13 0.00 -0.06 0.00 0.00 57.16 55.37 1dfd n GLU 40 Cb 0.48 -1.42 0.64 0.00 -0.06 0.00 0.00 31.44 31.08 1dfd n GLU 40 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1dfd n GLY 41 N 1.20 -1.29 3.15 8.31 0.00 -1.18 -4.70 105.19 110.67 1dfd n GLY 41 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.76 -0.81 0.98 4.61 0.00 -1.26 -4.11 121.76 118.41 1dfd s ALA 42 Ca 0.20 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 1dfd s ALA 42 Cb 0.18 -0.86 0.18 0.00 0.00 0.00 0.00 23.12 22.61 1dfd s ALA 42 CO 0.45 -0.33 1.08 -1.12 0.00 0.00 0.00 175.76 175.84 1dfd s SER 43 N 1.59 2.72 0.23 0.00 0.01 -1.26 -4.39 113.70 112.60 1dfd s SER 43 Ca -0.07 1.45 -0.06 0.00 1.31 0.00 0.00 55.95 58.57 1dfd s SER 43 Cb -0.10 -2.13 0.39 0.00 0.21 0.00 0.00 66.02 64.40 1dfd s SER 43 CO -0.11 -3.10 1.72 1.56 0.41 0.00 0.00 173.24 173.72 1dfd h GLN 44 N -1.87 0.37 0.00 12.44 7.50 -1.98 1.17 115.11 132.73 1dfd h GLN 44 Ca -0.53 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.60 1dfd h GLN 44 Cb 1.31 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1dfd h GLN 44 CO 0.54 0.24 0.00 0.39 -1.50 0.00 0.00 178.83 178.50 1dfd n GLU 45 N -5.05 0.06 -0.13 1.46 -0.58 -1.26 -0.29 120.64 114.85 1dfd n GLU 45 Ca 0.12 0.26 -0.22 0.00 -0.42 0.00 0.00 57.16 56.90 1dfd n GLU 45 Cb 0.38 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.42 0.62 -0.35 3.49 1.02 0.34 -2.40 120.64 121.94 1dfd n GLU 46 Ca 0.04 0.19 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 1dfd n GLU 46 Cb 0.11 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.13 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 -0.38 1.25 -0.01 2.62 2.07 0.72 0.19 116.25 122.71 1dfd h VAL 47 Ca -0.62 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1dfd h VAL 47 Cb 1.78 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1dfd h VAL 47 CO -0.22 0.25 -0.15 -0.33 0.02 0.00 0.00 177.57 177.14 1dfd h GLU 48 N 1.27 0.12 -0.05 1.57 5.08 -0.83 -2.02 114.58 119.72 1dfd h GLU 48 Ca 0.34 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1dfd h GLU 48 Cb -0.10 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1dfd h GLU 48 CO -0.07 0.83 -0.26 0.93 -1.00 0.00 0.00 179.01 179.45 1dfd h GLU 49 N -0.55 -0.36 0.00 2.33 5.08 -1.17 0.43 114.58 120.34 1dfd h GLU 49 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1dfd h GLU 49 Cb 0.87 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1dfd h GLU 49 CO 0.03 -0.24 0.00 0.00 -1.00 0.00 0.00 179.01 177.80 1dfd h ALA 50 N 0.49 1.00 0.00 3.43 0.00 -0.72 0.39 119.26 123.85 1dfd h ALA 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dfd h ALA 50 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dfd h ALA 50 CO -0.26 0.00 0.00 1.98 0.00 0.00 0.00 179.25 180.97 1dfd h MET 51 N 0.00 0.00 0.00 0.00 -1.53 0.60 -3.24 114.93 110.76 1dfd h MET 51 Ca 0.00 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 1dfd h MET 51 Cb 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.20 1dfd h MET 51 CO 0.00 0.00 -1.84 -3.47 0.14 0.00 0.00 176.91 171.74 1dfd n ASP 52 N -2.83 1.34 -0.04 1.39 2.03 -0.00 -4.52 116.55 113.91 1dfd n ASP 52 Ca 0.04 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.24 1dfd n ASP 52 Cb 0.45 1.41 -0.05 0.00 -0.72 0.00 0.00 41.12 42.21 1dfd n ASP 52 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1dfd h THR 53 N 0.00 1.13 -2.77 5.18 2.02 -1.22 -3.43 112.91 113.81 1dfd h THR 53 Ca -0.15 -0.37 -0.59 0.00 0.77 0.00 0.00 66.41 66.07 1dfd h THR 53 Cb 1.17 1.06 0.16 0.00 -1.74 0.00 0.00 68.15 68.80 1dfd h THR 53 CO 0.01 0.12 -0.29 0.00 0.37 0.00 0.00 175.52 175.73 1dfd h PRO 55 N 0.66 -0.22 0.00 0.00 0.13 -1.95 -3.35 132.00 127.27 1dfd h PRO 55 Ca -0.44 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1dfd h PRO 55 Cb 1.39 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 1dfd h PRO 55 CO 0.50 -0.14 -0.48 0.28 -0.23 0.00 0.00 178.00 177.93 1dfd h VAL 56 N -0.60 0.85 -4.48 1.56 2.07 -1.91 -3.48 116.25 110.25 1dfd h VAL 56 Ca -0.02 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1dfd h VAL 56 Cb 0.17 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1dfd h VAL 56 CO 0.04 0.47 -0.06 0.00 0.02 0.00 0.00 177.57 178.03 1dfd n GLN 57 N -3.25 -0.97 -0.48 1.57 6.02 -1.26 -4.89 117.38 114.12 1dfd n GLN 57 Ca 0.02 1.21 0.01 0.00 -0.01 0.00 0.00 57.00 58.23 1dfd n GLN 57 Cb 0.71 -4.18 0.18 0.00 1.02 0.00 0.00 30.24 27.96 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 -1.83 4.02 0.26 0.00 -1.16 -1.26 -2.24 121.20 118.98 1dfd s ILE 59 Ca 0.27 -0.40 0.04 0.00 -0.51 0.00 0.00 60.65 60.05 1dfd s ILE 59 Cb 0.21 -2.68 -0.01 0.00 0.61 0.00 0.00 42.46 40.59 1dfd s ILE 59 CO 0.07 0.57 0.26 1.41 -2.81 0.00 0.00 174.94 174.45 1dfd n HIS 60 N 2.07 -0.79 -2.91 3.50 8.25 -0.92 -5.01 115.22 119.41 1dfd n HIS 60 Ca -0.18 -2.06 -0.20 0.00 -0.26 0.00 0.00 57.72 55.03 1dfd n HIS 60 Cb 0.53 0.28 0.08 0.00 1.12 0.00 0.00 29.99 32.00 1dfd n HIS 60 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1dfd n TRP 61 N -0.48 -2.51 -3.34 4.41 7.02 -1.26 -1.43 117.44 119.86 1dfd n TRP 61 Ca 0.04 -1.93 -0.12 0.00 -1.02 0.00 0.00 57.50 54.47 1dfd n TRP 61 Cb 0.46 -0.58 -0.07 0.00 -2.42 0.00 0.00 31.31 28.71 1dfd n TRP 61 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1dfd s GLU 62 N -4.65 0.47 -0.07 -0.99 2.56 0.31 -4.58 118.70 111.75 1dfd s GLU 62 Ca 0.60 -0.20 0.13 0.00 0.00 0.00 0.00 54.97 55.49 1dfd s GLU 62 Cb -0.04 -0.47 0.37 0.00 2.00 0.00 0.00 34.13 35.99 1dfd s GLU 62 CO 0.38 -1.08 1.30 -0.40 -0.56 0.00 0.00 175.26 174.90 1dfd n ASP 63 N 5.03 3.21 0.00 -1.70 5.75 -1.26 -0.56 116.55 127.02 1dfd n ASP 63 Ca 0.03 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1dfd n ASP 63 Cb 0.48 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1dfd n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47