#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gyb n ARG 2 N 0.00 -0.20 -3.63 -0.52 0.63 -1.26 -5.03 116.66 106.65 2gyb n ARG 2 Ca 0.00 -0.04 -0.05 0.00 -0.92 0.00 0.00 57.85 56.84 2gyb n ARG 2 Cb 0.00 -1.39 -0.07 0.00 0.45 0.00 0.00 32.46 31.45 2gyb n ARG 2 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2gyb s SER 3 N -1.47 -0.79 0.00 6.15 1.04 -1.26 -5.03 113.70 112.34 2gyb s SER 3 Ca 0.48 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2gyb s SER 3 Cb -0.17 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.34 2gyb s SER 3 CO 0.75 -0.19 0.00 0.18 0.98 0.00 0.00 173.24 174.95 2gyb n LEU 4 N 4.20 0.00 0.00 2.42 4.32 -1.26 -5.04 117.00 121.63 2gyb n LEU 4 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2gyb n LEU 4 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2gyb n LEU 4 CO -0.01 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.45 2gyb n LYS 5 N 0.00 0.00 -1.00 3.23 5.02 -1.26 -0.10 118.16 124.05 2gyb n LYS 5 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2gyb n LYS 5 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2gyb n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gyb n LYS 6 N 0.00 0.13 -3.22 1.97 5.02 -1.26 -4.93 118.16 115.88 2gyb n LYS 6 Ca 0.00 -1.69 -0.24 0.00 -2.02 0.00 0.00 58.31 54.37 2gyb n LYS 6 Cb 0.00 -0.34 -0.06 0.00 -0.02 0.00 0.00 35.03 34.61 2gyb n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gyb n GLY 7 N 0.14 3.61 3.77 0.72 0.00 0.85 -5.11 105.19 109.17 2gyb n GLY 7 Ca 0.05 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 2gyb n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gyb s PRO 8 N -1.86 3.75 -0.51 1.61 0.04 -1.26 -4.92 135.00 131.86 2gyb s PRO 8 Ca 0.38 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 2gyb s PRO 8 Cb 0.21 -2.43 0.10 0.00 0.04 0.00 0.00 34.50 32.42 2gyb s PRO 8 CO -0.09 -0.57 0.45 0.12 0.04 0.00 0.00 177.00 176.96 2gyb s PHE 9 N -1.52 3.24 -0.33 0.56 2.19 -1.26 -5.00 117.98 115.87 2gyb s PHE 9 Ca 0.63 -1.09 0.03 0.00 0.33 0.00 0.00 56.93 56.83 2gyb s PHE 9 Cb -0.30 -3.48 0.10 0.00 -1.31 0.00 0.00 43.02 38.03 2gyb s PHE 9 CO 0.36 -0.91 0.05 0.42 1.83 0.00 0.00 175.22 176.96 2gyb s ILE 10 N 1.65 2.01 -0.45 3.12 1.09 -1.26 -2.63 121.20 124.73 2gyb s ILE 10 Ca 0.04 -2.11 -0.41 0.00 -1.10 0.00 0.00 60.65 57.07 2gyb s ILE 10 Cb -0.27 -2.47 -0.17 0.00 -1.06 0.00 0.00 42.46 38.49 2gyb s ILE 10 CO 0.05 -0.56 1.80 0.47 -0.10 0.00 0.00 174.94 176.59 2gyb n ASP 11 N 4.37 0.79 0.31 3.58 9.92 -1.26 -4.69 116.55 129.57 2gyb n ASP 11 Ca 0.01 0.74 0.05 0.00 -0.53 0.00 0.00 54.79 55.07 2gyb n ASP 11 Cb 0.42 -0.81 0.28 0.00 -0.64 0.00 0.00 41.12 40.37 2gyb n ASP 11 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2gyb h LEU 12 N 7.12 0.00 0.00 0.64 8.10 -1.98 -1.52 115.31 127.66 2gyb h LEU 12 Ca -0.18 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.72 2gyb h LEU 12 Cb 1.27 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.48 2gyb h LEU 12 CO 0.96 0.00 -0.56 1.12 -4.11 0.00 0.00 178.44 175.85 2gyb h HIS 13 N 0.00 0.00 0.00 0.17 2.07 -2.01 -3.14 115.15 112.23 2gyb h HIS 13 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2gyb h HIS 13 Cb 1.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.44 2gyb h HIS 13 CO 0.00 1.09 0.00 1.47 -3.07 0.00 0.00 177.93 177.42 2gyb n LEU 14 N -4.55 0.00 -0.05 6.12 -0.00 -0.61 -2.89 117.00 115.02 2gyb n LEU 14 Ca -0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.79 2gyb n LEU 14 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.83 2gyb n LEU 14 CO 0.24 0.00 -0.89 -0.11 -0.00 0.00 0.00 177.39 176.63 2gyb n LEU 15 N -0.88 0.00 0.07 1.47 7.94 -1.00 -4.07 117.00 120.54 2gyb n LEU 15 Ca 0.13 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.84 2gyb n LEU 15 Cb 0.06 0.26 -0.10 0.00 0.53 0.00 0.00 43.42 44.17 2gyb n LEU 15 CO 0.10 0.26 0.03 0.11 -1.11 0.00 0.00 177.39 176.79 2gyb h LYS 16 N 0.00 0.57 -0.03 1.96 1.57 -1.47 -3.20 116.57 115.96 2gyb h LYS 16 Ca -0.29 -0.69 -0.22 0.00 -1.87 0.00 0.00 60.65 57.58 2gyb h LYS 16 Cb 1.59 0.21 0.02 0.00 0.08 0.00 0.00 32.23 34.13 2gyb h LYS 16 CO 0.02 1.29 -0.82 -0.22 -0.57 0.00 0.00 179.45 179.14 2gyb h LYS 17 N 0.28 0.62 -0.15 3.15 3.64 -1.80 -2.46 116.57 119.85 2gyb h LYS 17 Ca -0.14 -0.62 0.04 0.00 -1.27 0.00 0.00 60.65 58.66 2gyb h LYS 17 Cb 1.78 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 2gyb h LYS 17 CO 0.21 1.23 0.18 -0.24 -2.27 0.00 0.00 179.45 178.55 2gyb h VAL 18 N 0.25 0.45 0.00 2.00 3.04 -1.71 0.35 116.25 120.63 2gyb h VAL 18 Ca -0.09 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.41 2gyb h VAL 18 Cb 1.49 0.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 2gyb h VAL 18 CO 0.16 0.00 -1.25 -0.33 -1.01 0.00 0.00 177.57 175.14 2gyb h GLU 19 N 0.00 0.00 -0.24 4.17 4.39 -1.53 -3.33 114.58 118.04 2gyb h GLU 19 Ca 0.07 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2gyb h GLU 19 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2gyb h GLU 19 CO -0.00 0.44 -0.30 0.87 -1.16 0.00 0.00 179.01 178.86 2gyb h LYS 20 N 0.00 0.48 0.00 2.33 1.57 0.15 -2.16 116.57 118.94 2gyb h LYS 20 Ca -0.14 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2gyb h LYS 20 Cb 1.64 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2gyb h LYS 20 CO 0.06 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 2gyb n ALA 21 N -2.49 2.55 1.21 3.86 0.00 -0.64 -2.79 120.51 122.21 2gyb n ALA 21 Ca -0.01 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2gyb n ALA 21 Cb 0.44 -1.44 0.43 0.00 0.00 0.00 0.00 19.45 18.88 2gyb n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gyb n VAL 22 N -0.97 0.00 -0.30 0.00 0.31 -0.81 -3.55 118.33 113.01 2gyb n VAL 22 Ca 0.20 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.58 2gyb n VAL 22 Cb 0.09 0.14 0.29 0.00 -0.91 0.00 0.00 33.84 33.45 2gyb n VAL 22 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2gyb h GLU 23 N 0.61 0.42 -0.87 5.55 5.08 -1.66 -3.31 114.58 120.40 2gyb h GLU 23 Ca 0.00 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.97 2gyb h GLU 23 Cb 0.46 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 29.37 2gyb h GLU 23 CO 0.00 0.28 -0.75 0.43 -1.00 0.00 0.00 179.01 177.96 2gyb n SER 24 N -5.02 -1.61 0.00 1.42 7.64 -1.26 -5.11 113.62 109.68 2gyb n SER 24 Ca 0.21 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2gyb n SER 24 Cb 0.61 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.59 2gyb n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gyb n GLY 25 N 1.58 0.90 3.42 0.23 0.00 -1.25 -4.98 105.19 105.10 2gyb n GLY 25 Ca 0.14 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 2gyb n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gyb s ASP 26 N -4.00 2.10 0.27 1.61 1.01 -1.23 -3.96 116.67 112.47 2gyb s ASP 26 Ca 0.00 -1.55 0.09 0.00 0.71 0.00 0.00 52.55 51.80 2gyb s ASP 26 Cb 0.00 0.31 -0.05 0.00 1.01 0.00 0.00 42.92 44.19 2gyb s ASP 26 CO 0.00 -0.83 -0.13 -0.75 0.21 0.00 0.00 175.17 173.67 2gyb s LYS 27 N -3.81 1.58 1.15 8.23 2.20 -1.26 -4.99 119.74 122.83 2gyb s LYS 27 Ca 0.32 -1.75 -0.17 0.00 -0.36 0.00 0.00 55.97 54.00 2gyb s LYS 27 Cb 0.05 -1.43 0.17 0.00 -1.51 0.00 0.00 37.83 35.11 2gyb s LYS 27 CO 0.16 0.18 0.29 1.63 -0.36 0.00 0.00 175.35 177.26 2gyb n LYS 28 N -0.58 -2.03 -1.61 4.03 5.02 -1.26 -4.64 118.16 117.10 2gyb n LYS 28 Ca -0.06 -0.57 -0.47 0.00 -2.02 0.00 0.00 58.31 55.19 2gyb n LYS 28 Cb 0.62 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2gyb n LYS 28 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2gyb n PRO 29 N -2.97 1.43 -3.94 1.97 -0.04 -1.26 -4.77 135.00 125.42 2gyb n PRO 29 Ca 0.01 0.51 -0.24 0.00 -0.04 0.00 0.00 63.50 63.74 2gyb n PRO 29 Cb 0.59 -2.03 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 2gyb n PRO 29 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2gyb s LEU 30 N 0.47 3.06 -0.05 1.53 2.96 -0.55 -4.97 118.68 121.13 2gyb s LEU 30 Ca 0.70 -1.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2gyb s LEU 30 Cb -0.77 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 44.41 2gyb s LEU 30 CO 0.53 -0.72 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.63 2gyb s ARG 31 N -4.06 1.09 0.09 1.98 0.52 -1.26 0.34 118.95 117.65 2gyb s ARG 31 Ca 0.40 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 55.44 2gyb s ARG 31 Cb 0.00 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 2gyb s ARG 31 CO 0.23 -0.01 -0.17 -0.08 0.02 0.00 0.00 175.30 175.29 2gyb s THR 32 N 0.67 1.36 -0.25 0.02 -1.32 -0.56 -4.92 115.64 110.65 2gyb s THR 32 Ca -0.11 -1.42 -0.10 0.00 -1.21 0.00 0.00 61.69 58.85 2gyb s THR 32 Cb -0.14 -1.29 -0.16 0.00 -1.51 0.00 0.00 72.50 69.41 2gyb s THR 32 CO 0.01 -0.17 -0.17 0.79 -2.21 0.00 0.00 174.62 172.88 2gyb n TRP 33 N 1.16 0.27 -2.46 9.09 8.01 -1.26 -3.21 117.44 129.04 2gyb n TRP 33 Ca -0.20 0.09 -0.42 0.00 -1.31 0.00 0.00 57.50 55.66 2gyb n TRP 33 Cb 0.54 -1.03 -0.02 0.00 -2.01 0.00 0.00 31.31 28.78 2gyb n TRP 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2gyb s SER 34 N -7.07 6.28 0.00 -0.99 0.15 -1.26 -4.61 113.70 106.20 2gyb s SER 34 Ca -0.35 0.29 0.27 0.00 0.70 0.00 0.00 55.95 56.87 2gyb s SER 34 Cb 0.11 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.84 2gyb s SER 34 CO 0.57 -1.58 1.72 -2.11 1.20 0.00 0.00 173.24 173.03 2gyb n ARG 35 N 8.49 0.31 0.28 5.44 1.85 -1.26 -3.81 116.66 127.95 2gyb n ARG 35 Ca 0.11 -0.12 0.16 0.00 -1.00 0.00 0.00 57.85 57.01 2gyb n ARG 35 Cb 0.49 -1.50 0.92 0.00 -1.05 0.00 0.00 32.46 31.32 2gyb n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2gyb h ARG 36 N 0.29 0.00 -7.22 2.89 2.47 -1.95 -3.17 114.38 107.69 2gyb h ARG 36 Ca 0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 2gyb h ARG 36 Cb 0.45 0.00 0.20 0.00 -1.65 0.00 0.00 29.97 28.97 2gyb h ARG 36 CO 0.00 0.00 0.14 -1.13 0.56 0.00 0.00 179.97 179.54 2gyb n SER 37 N -3.75 -0.07 -4.55 7.04 3.41 -1.25 -4.90 113.62 109.57 2gyb n SER 37 Ca -0.02 0.34 -0.32 0.00 -0.26 0.00 0.00 58.87 58.61 2gyb n SER 37 Cb 0.15 -1.43 -0.11 0.00 -0.26 0.00 0.00 64.21 62.55 2gyb n SER 37 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gyb s THR 38 N -2.60 3.37 0.29 6.66 2.01 -1.08 -3.19 115.64 121.10 2gyb s THR 38 Ca 0.67 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 2gyb s THR 38 Cb -0.23 -2.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.75 2gyb s THR 38 CO 0.59 0.42 1.15 -0.63 -0.69 0.00 0.00 174.62 175.46 2gyb s ILE 39 N -0.93 3.32 0.19 1.82 1.01 -0.30 -4.90 121.20 121.41 2gyb s ILE 39 Ca 0.15 1.32 -0.08 0.00 0.00 0.00 0.00 60.65 62.04 2gyb s ILE 39 Cb -0.11 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2gyb s ILE 39 CO 0.06 0.31 0.30 -0.36 0.00 0.00 0.00 174.94 175.26 2gyb s PHE 40 N -1.13 0.52 0.07 3.97 0.40 -1.26 -1.33 117.98 119.22 2gyb s PHE 40 Ca 0.46 -0.86 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 2gyb s PHE 40 Cb -0.34 -0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 2gyb s PHE 40 CO 0.44 -0.77 1.04 -2.30 0.70 0.00 0.00 175.22 174.33 2gyb n PRO 41 N -0.26 -0.19 -0.42 0.24 -0.02 -1.26 -0.79 135.00 132.30 2gyb n PRO 41 Ca -0.04 1.03 0.39 0.00 -2.02 0.00 0.00 63.50 62.86 2gyb n PRO 41 Cb 0.63 -1.53 0.66 0.00 -0.02 0.00 0.00 33.50 33.24 2gyb n PRO 41 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2gyb h ASN 42 N 0.00 0.00 -0.38 2.55 -1.07 -1.98 1.21 115.58 115.91 2gyb h ASN 42 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.44 2gyb h ASN 42 Cb 0.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.43 2gyb h ASN 42 CO -0.41 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.32 2gyb n MET 43 N -3.67 3.39 -2.92 4.14 2.81 0.03 -4.90 117.12 116.02 2gyb n MET 43 Ca 0.32 -2.00 -0.40 0.00 -1.81 0.00 0.00 57.70 53.81 2gyb n MET 43 Cb 1.66 -1.94 -0.05 0.00 -0.71 0.00 0.00 33.22 32.18 2gyb n MET 43 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2gyb s ILE 44 N -2.07 4.67 0.00 2.02 1.10 0.42 -3.66 121.20 123.68 2gyb s ILE 44 Ca 0.35 1.74 0.00 0.00 -0.51 0.00 0.00 60.65 62.23 2gyb s ILE 44 Cb 0.26 -4.17 0.00 0.00 0.15 0.00 0.00 42.46 38.70 2gyb s ILE 44 CO 0.11 0.35 0.00 0.61 -2.11 0.00 0.00 174.94 173.90 2gyb n GLY 45 N 2.35 2.96 3.86 1.50 0.00 -1.20 -5.02 105.19 109.64 2gyb n GLY 45 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2gyb n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gyb s LEU 46 N 0.00 2.99 -0.43 0.99 1.02 -1.24 -4.87 118.68 117.14 2gyb s LEU 46 Ca 0.00 1.30 0.03 0.00 0.02 0.00 0.00 54.13 55.48 2gyb s LEU 46 Cb 0.00 -4.16 0.12 0.00 0.02 0.00 0.00 46.19 42.17 2gyb s LEU 46 CO 0.00 -1.29 0.16 -0.89 0.02 0.00 0.00 176.35 174.35 2gyb s THR 47 N -3.24 2.54 0.01 5.49 2.01 -1.26 -2.41 115.64 118.76 2gyb s THR 47 Ca 0.58 -2.75 -0.19 0.00 0.31 0.00 0.00 61.69 59.64 2gyb s THR 47 Cb -0.12 -2.81 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 2gyb s THR 47 CO 0.53 -0.70 0.54 -0.63 -0.69 0.00 0.00 174.62 173.68 2gyb s ILE 48 N 0.39 4.91 -0.35 1.82 1.01 -1.13 -1.48 121.20 126.37 2gyb s ILE 48 Ca 0.13 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 2gyb s ILE 48 Cb -0.22 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2gyb s ILE 48 CO -0.04 0.47 0.21 0.00 0.00 0.00 0.00 174.94 175.57 2gyb s ALA 49 N -0.50 3.34 0.23 9.38 0.00 0.15 -0.04 121.76 134.32 2gyb s ALA 49 Ca 0.29 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 2gyb s ALA 49 Cb -0.18 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 2gyb s ALA 49 CO 0.16 -1.15 0.64 0.08 0.00 0.00 0.00 175.76 175.50 2gyb s VAL 50 N 1.62 4.76 -0.40 0.00 1.01 -0.72 -1.49 120.40 125.19 2gyb s VAL 50 Ca 0.04 0.89 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 2gyb s VAL 50 Cb -0.18 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2gyb s VAL 50 CO 0.08 0.05 0.69 -2.28 0.00 0.00 0.00 175.10 173.64 2gyb s HIS 51 N -1.69 3.09 -1.76 5.22 2.46 -1.20 -0.78 115.29 120.63 2gyb s HIS 51 Ca 0.45 0.23 0.28 0.00 0.47 0.00 0.00 55.06 56.50 2gyb s HIS 51 Cb -0.13 -3.34 1.59 0.00 -0.13 0.00 0.00 32.58 30.56 2gyb s HIS 51 CO 0.20 -0.78 2.02 0.09 -2.47 0.00 0.00 174.74 173.79 2gyb n ASN 52 N 6.30 0.00 0.00 9.88 5.03 -0.59 -4.83 115.26 131.04 2gyb n ASN 52 Ca -0.00 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.88 2gyb n ASN 52 Cb 0.48 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 2gyb n ASN 52 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gyb n GLY 53 N 0.91 2.32 0.91 7.41 0.00 -1.26 -4.73 105.19 110.76 2gyb n GLY 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2gyb n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gyb n ARG 54 N -0.63 0.00 -4.19 1.61 1.74 -1.26 -5.12 116.66 108.81 2gyb n ARG 54 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2gyb n ARG 54 Cb 0.00 -0.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 2gyb n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2gyb s GLN 55 N -1.99 1.62 -0.24 5.56 -1.52 -1.26 -5.15 119.66 116.68 2gyb s GLN 55 Ca 0.00 -1.78 -0.10 0.00 -1.95 0.00 0.00 55.36 51.53 2gyb s GLN 55 Cb 0.00 0.35 -0.04 0.00 -0.22 0.00 0.00 33.01 33.10 2gyb s GLN 55 CO 0.00 -0.61 0.14 -1.01 -0.25 0.00 0.00 175.29 173.55 2gyb s HIS 56 N -3.59 3.23 -0.17 0.91 3.76 -1.26 -1.55 115.29 116.62 2gyb s HIS 56 Ca 0.36 0.05 -0.08 0.00 -0.15 0.00 0.00 55.06 55.24 2gyb s HIS 56 Cb 0.03 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 2gyb s HIS 56 CO 0.20 -0.07 0.09 0.14 -0.85 0.00 0.00 174.74 174.25 2gyb s VAL 57 N 1.26 5.03 -0.12 -0.90 -7.23 0.04 -4.84 120.40 113.64 2gyb s VAL 57 Ca 0.06 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 2gyb s VAL 57 Cb -0.14 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 2gyb s VAL 57 CO 0.06 0.49 1.61 -2.16 -0.31 0.00 0.00 175.10 174.78 2gyb s PRO 58 N 0.08 4.06 -0.40 4.82 0.04 -1.26 -1.75 135.00 140.58 2gyb s PRO 58 Ca 0.07 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2gyb s PRO 58 Cb -0.12 -3.98 0.11 0.00 0.04 0.00 0.00 34.50 30.55 2gyb s PRO 58 CO 0.00 -0.98 0.14 0.08 0.04 0.00 0.00 177.00 176.28 2gyb s VAL 59 N 4.39 2.64 -0.44 -0.36 1.01 0.94 -4.97 120.40 123.61 2gyb s VAL 59 Ca 0.71 -2.47 -0.27 0.00 0.00 0.00 0.00 61.98 59.95 2gyb s VAL 59 Cb -0.29 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2gyb s VAL 59 CO 0.28 -0.67 1.95 0.12 0.00 0.00 0.00 175.10 176.78 2gyb s PHE 60 N 0.72 1.59 0.34 5.22 2.19 -1.26 -2.85 117.98 123.92 2gyb s PHE 60 Ca 0.12 0.81 -0.29 0.00 0.33 0.00 0.00 56.93 57.90 2gyb s PHE 60 Cb -0.21 -4.01 -0.10 0.00 -1.31 0.00 0.00 43.02 37.38 2gyb s PHE 60 CO -0.06 -2.78 1.32 0.08 1.83 0.00 0.00 175.22 175.61 2gyb s VAL 61 N 8.53 2.67 0.11 3.12 1.01 -1.01 -5.01 120.40 129.82 2gyb s VAL 61 Ca 0.80 0.67 0.04 0.00 0.00 0.00 0.00 61.98 63.49 2gyb s VAL 61 Cb -0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2gyb s VAL 61 CO 0.28 0.16 -0.10 -0.89 0.00 0.00 0.00 175.10 174.56 2gyb s THR 62 N -1.14 1.00 0.43 3.92 2.01 -1.26 -3.25 115.64 117.35 2gyb s THR 62 Ca 0.49 -1.83 0.13 0.00 0.31 0.00 0.00 61.69 60.80 2gyb s THR 62 Cb -0.40 -1.58 0.32 0.00 0.01 0.00 0.00 72.50 70.85 2gyb s THR 62 CO 0.54 -0.66 1.98 -2.24 -0.69 0.00 0.00 174.62 173.54 2gyb h ASP 63 N 3.21 0.38 1.34 3.53 2.03 -1.96 0.40 116.42 125.35 2gyb h ASP 63 Ca -0.37 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2gyb h ASP 63 Cb 1.19 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2gyb h ASP 63 CO 0.58 0.23 0.00 -0.08 -1.03 0.00 0.00 179.24 178.94 2gyb h GLU 64 N 0.42 0.00 0.00 4.15 4.81 -2.01 -2.80 114.58 119.15 2gyb h GLU 64 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2gyb h GLU 64 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2gyb h GLU 64 CO -0.08 0.00 -0.63 0.52 -0.73 0.00 0.00 179.01 178.09 2gyb h MET 65 N 0.00 0.00 -6.54 1.92 2.86 -0.63 -3.47 114.93 109.07 2gyb h MET 65 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 2gyb h MET 65 Cb 0.67 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.40 2gyb h MET 65 CO 0.00 0.00 0.77 0.28 1.06 0.00 0.00 176.91 179.02 2gyb n VAL 66 N -2.78 0.24 0.00 -2.22 0.31 -0.73 -2.32 118.33 110.83 2gyb n VAL 66 Ca 0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2gyb n VAL 66 Cb 0.54 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2gyb n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gyb n GLY 67 N 3.12 2.12 3.89 2.92 0.00 -0.44 -4.98 105.19 111.81 2gyb n GLY 67 Ca 0.15 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2gyb n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gyb s HIS 68 N -1.09 3.49 0.39 1.61 4.02 -0.98 -4.65 115.29 118.09 2gyb s HIS 68 Ca 0.00 0.93 -0.23 0.00 1.02 0.00 0.00 55.06 56.78 2gyb s HIS 68 Cb 0.00 -2.36 -0.11 0.00 -1.02 0.00 0.00 32.58 29.10 2gyb s HIS 68 CO 0.00 -0.11 0.94 0.15 1.02 0.00 0.00 174.74 176.75 2gyb s LYS 69 N -4.02 4.36 0.47 1.40 3.01 -1.26 -1.15 119.74 122.56 2gyb s LYS 69 Ca 0.49 1.19 0.17 0.00 -1.01 0.00 0.00 55.97 56.82 2gyb s LYS 69 Cb -0.10 -2.43 1.16 0.00 -1.01 0.00 0.00 37.83 35.45 2gyb s LYS 69 CO 0.34 0.10 2.00 -0.07 0.51 0.00 0.00 175.35 178.23 2gyb h LEU 70 N 2.41 0.23 -1.89 3.17 3.38 -1.59 -0.78 115.31 120.24 2gyb h LEU 70 Ca -0.48 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2gyb h LEU 70 Cb 1.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2gyb h LEU 70 CO 0.63 0.14 -0.10 1.23 0.09 0.00 0.00 178.44 180.43 2gyb h GLY 71 N 0.25 0.00 2.00 0.83 0.00 -1.84 -2.51 103.07 101.81 2gyb h GLY 71 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2gyb h GLY 71 CO -0.05 0.00 -0.18 0.83 0.00 0.00 0.00 176.54 177.14 2gyb h GLU 72 N 0.00 0.00 -0.66 4.80 5.08 -1.47 -2.34 114.58 120.00 2gyb h GLU 72 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gyb h GLU 72 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2gyb h GLU 72 CO 0.01 0.18 0.00 1.19 -1.00 0.00 0.00 179.01 179.39 2gyb n PHE 73 N -3.50 0.92 -3.87 4.33 3.01 -0.95 -4.73 117.46 112.68 2gyb n PHE 73 Ca -0.01 -0.51 -0.30 0.00 1.01 0.00 0.00 57.45 57.64 2gyb n PHE 73 Cb 0.34 -0.02 -0.14 0.00 -0.01 0.00 0.00 39.48 39.65 2gyb n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gyb s ALA 74 N -1.06 2.87 0.16 4.37 0.00 -0.88 -4.98 121.76 122.24 2gyb s ALA 74 Ca 0.44 -3.00 -0.32 0.00 0.00 0.00 0.00 51.96 49.09 2gyb s ALA 74 Cb 0.24 -2.05 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 2gyb s ALA 74 CO 0.29 -2.02 1.68 -1.25 0.00 0.00 0.00 175.76 174.47 2gyb s PRO 75 N -0.01 4.17 -0.04 0.00 0.04 -1.26 -4.89 135.00 133.01 2gyb s PRO 75 Ca 0.17 2.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.58 2gyb s PRO 75 Cb -0.25 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.96 2gyb s PRO 75 CO -0.00 -0.72 0.53 1.79 0.04 0.00 0.00 177.00 178.64 2gyb h THR 76 N 4.16 0.00 -4.00 1.26 1.35 -1.91 -3.46 112.91 110.31 2gyb h THR 76 Ca -0.43 -0.55 -0.45 0.00 -0.55 0.00 0.00 66.41 64.43 2gyb h THR 76 Cb 1.20 0.00 0.15 0.00 -1.73 0.00 0.00 68.15 67.78 2gyb h THR 76 CO 0.94 0.00 0.27 0.00 -0.25 0.00 0.00 175.52 176.48 2gyb s ARG 77 N -2.93 0.46 -0.30 4.72 1.70 -1.26 -4.97 118.95 116.37 2gyb s ARG 77 Ca -0.06 0.14 -0.03 0.00 -0.47 0.00 0.00 55.73 55.31 2gyb s ARG 77 Cb 0.01 -1.77 0.10 0.00 -0.57 0.00 0.00 34.95 32.71 2gyb s ARG 77 CO 0.18 -2.63 0.12 0.99 -1.08 0.00 0.00 175.30 172.89 2gyb s THR 78 N -3.27 0.28 -0.41 4.99 2.01 -1.26 -5.10 115.64 112.88 2gyb s THR 78 Ca 0.67 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 2gyb s THR 78 Cb -0.13 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2gyb s THR 78 CO 0.54 -0.72 0.41 -0.47 -0.69 0.00 0.00 174.62 173.70 2gyb s TYR 79 N 1.90 3.18 0.46 4.92 5.04 -1.26 -4.92 117.35 126.67 2gyb s TYR 79 Ca 0.09 -0.37 0.24 0.00 -2.44 0.00 0.00 57.07 54.59 2gyb s TYR 79 Cb -0.17 -2.84 1.31 0.00 0.35 0.00 0.00 41.96 40.62 2gyb s TYR 79 CO -0.32 -0.66 1.71 0.00 -1.34 0.00 0.00 175.55 174.93 2gyb h ARG 80 N 8.69 0.00 -1.47 4.97 2.47 -2.03 -3.44 114.38 123.57 2gyb h ARG 80 Ca -0.27 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.22 2gyb h ARG 80 Cb 1.11 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 2gyb h ARG 80 CO 0.78 0.00 -0.28 0.41 0.56 0.00 0.00 179.97 181.43 2gyb n GLY 81 N -1.25 0.12 0.00 0.04 0.00 -1.26 -4.60 105.19 98.25 2gyb n GLY 81 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2gyb n GLY 81 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gyb n HIS 82 N -3.78 0.00 -1.45 1.61 -0.00 -1.26 -4.48 115.22 105.85 2gyb n HIS 82 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2gyb n HIS 82 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 2gyb n HIS 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gyb n ALA 83 N 0.00 0.00 0.67 -1.41 0.00 -1.26 -4.95 120.51 113.57 2gyb n ALA 83 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2gyb n ALA 83 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 2gyb n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gyb n ALA 84 N 0.00 1.89 -3.70 0.00 0.00 -1.26 -4.83 120.51 112.61 2gyb n ALA 84 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2gyb n ALA 84 Cb 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 2gyb n ALA 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gyb n ASP 85 N -1.01 0.59 -4.83 0.00 5.75 -1.26 -4.88 116.55 110.90 2gyb n ASP 85 Ca 0.08 -0.85 -0.37 0.00 -0.01 0.00 0.00 54.79 53.64 2gyb n ASP 85 Cb 0.04 -1.05 -0.06 0.00 -1.03 0.00 0.00 41.12 39.02 2gyb n ASP 85 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2gyb s LYS 86 N -5.89 4.05 0.00 0.11 0.00 -1.26 -5.20 119.74 111.56 2gyb s LYS 86 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 55.97 56.56 2gyb s LYS 86 Cb -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 37.83 34.74 2gyb s LYS 86 CO 0.66 0.57 0.00 1.63 0.00 0.00 0.00 175.35 178.21