#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r79 s SER 2 N 0.00 -0.17 1.07 1.61 0.15 -1.26 -5.17 113.70 109.93 1r79 s SER 2 Ca 0.00 0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.70 1r79 s SER 2 Cb 0.00 0.16 0.18 0.00 -1.71 0.00 0.00 66.02 64.65 1r79 s SER 2 CO 0.00 -0.15 0.31 -1.20 1.20 0.00 0.00 173.24 173.40 1r79 n SER 3 N 0.73 -3.01 0.00 5.45 7.64 -1.26 -5.03 113.62 118.14 1r79 n SER 3 Ca -0.05 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1r79 n SER 3 Cb 0.58 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1r79 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r79 n GLY 4 N 2.34 4.01 3.44 0.23 0.00 -1.26 -5.18 105.19 108.76 1r79 n GLY 4 Ca 0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 1r79 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r79 s SER 5 N 0.00 -0.58 0.57 1.61 0.15 -1.26 -5.19 113.70 109.00 1r79 s SER 5 Ca 0.00 0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1r79 s SER 5 Cb 0.00 0.58 0.05 0.00 -1.71 0.00 0.00 66.02 64.94 1r79 s SER 5 CO 0.00 -0.88 0.43 -0.44 1.20 0.00 0.00 173.24 173.55 1r79 s SER 6 N -2.39 4.61 0.00 5.45 0.01 -1.26 -5.15 113.70 114.97 1r79 s SER 6 Ca -0.02 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.94 1r79 s SER 6 Cb -0.01 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1r79 s SER 6 CO -0.08 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 172.99 1r79 n GLY 7 N -1.83 1.63 3.45 3.44 0.00 -1.26 -5.12 105.19 105.51 1r79 n GLY 7 Ca -0.02 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 1r79 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r79 s THR 8 N 1.75 2.86 0.34 2.61 -1.32 -1.26 -5.10 115.64 115.52 1r79 s THR 8 Ca 0.00 -0.90 -0.29 0.00 -1.21 0.00 0.00 61.69 59.30 1r79 s THR 8 Cb 0.00 -2.13 -0.11 0.00 -1.51 0.00 0.00 72.50 68.76 1r79 s THR 8 CO 0.00 0.52 1.43 0.42 -2.21 0.00 0.00 174.62 174.78 1r79 s THR 9 N -0.77 2.33 -0.52 5.08 -4.23 -1.26 -4.99 115.64 111.29 1r79 s THR 9 Ca 0.12 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.99 1r79 s THR 9 Cb -0.10 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.66 1r79 s THR 9 CO 0.02 0.07 0.27 -0.22 -0.54 0.00 0.00 174.62 174.22 1r79 s LEU 10 N -1.69 4.51 -0.48 4.79 1.98 -1.26 -5.06 118.68 121.47 1r79 s LEU 10 Ca 0.53 -2.89 -0.28 0.00 -2.89 0.00 0.00 54.13 48.59 1r79 s LEU 10 Cb -0.44 -1.67 0.01 0.00 0.66 0.00 0.00 46.19 44.75 1r79 s LEU 10 CO 0.56 -0.27 1.39 0.00 -1.89 0.00 0.00 176.35 176.14 1r79 s ALA 11 N -0.12 2.96 0.61 5.97 0.00 -1.26 -4.99 121.76 124.94 1r79 s ALA 11 Ca 0.16 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1r79 s ALA 11 Cb -0.24 -4.00 -0.02 0.00 0.00 0.00 0.00 23.12 18.85 1r79 s ALA 11 CO -0.01 -2.59 1.32 0.45 0.00 0.00 0.00 175.76 174.93 1r79 s SER 12 N 3.98 4.84 1.03 0.00 0.15 -1.26 -4.97 113.70 117.46 1r79 s SER 12 Ca 0.57 2.68 -0.12 0.00 0.70 0.00 0.00 55.95 59.78 1r79 s SER 12 Cb -0.12 -2.63 0.21 0.00 -1.71 0.00 0.00 66.02 61.77 1r79 s SER 12 CO 0.30 -1.85 1.08 0.27 1.20 0.00 0.00 173.24 174.23 1r79 s ILE 13 N -1.36 2.19 0.52 6.45 -5.25 -1.26 -5.05 121.20 117.43 1r79 s ILE 13 Ca 0.79 0.06 0.07 0.00 -0.99 0.00 0.00 60.65 60.57 1r79 s ILE 13 Cb -0.39 -2.22 0.03 0.00 2.95 0.00 0.00 42.46 42.83 1r79 s ILE 13 CO 0.43 -0.08 0.45 -0.83 -1.79 0.00 0.00 174.94 173.11 1r79 s GLY 14 N -2.80 2.23 -0.11 6.27 0.00 -1.26 -5.13 107.32 106.52 1r79 s GLY 14 Ca 0.67 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.84 1r79 s GLY 14 CO 0.61 -1.85 -0.14 0.54 0.00 0.00 0.00 173.10 172.26 1r79 s LYS 15 N -4.29 2.04 -0.17 2.90 -0.14 -1.26 -5.12 119.74 113.70 1r79 s LYS 15 Ca 0.41 -0.49 -0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1r79 s LYS 15 Cb -0.03 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 34.28 1r79 s LYS 15 CO 0.25 -0.10 0.17 0.34 -0.76 0.00 0.00 175.35 175.25 1r79 s ASP 16 N 1.09 6.31 -0.69 2.83 -1.08 -1.26 -4.99 116.67 118.89 1r79 s ASP 16 Ca -0.05 0.36 -0.36 0.00 -0.52 0.00 0.00 52.55 51.98 1r79 s ASP 16 Cb -0.14 -2.10 -0.18 0.00 -1.46 0.00 0.00 42.92 39.03 1r79 s ASP 16 CO -0.03 0.23 2.41 -0.38 0.52 0.00 0.00 175.17 177.92 1r79 n ILE 17 N 3.09 0.02 -2.57 4.11 5.41 -1.26 -4.86 119.36 123.29 1r79 n ILE 17 Ca -0.16 -0.11 -0.39 0.00 1.00 0.00 0.00 62.75 63.09 1r79 n ILE 17 Cb 0.53 -0.86 -0.05 0.00 -0.71 0.00 0.00 39.64 38.55 1r79 n ILE 17 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1r79 s ILE 18 N 7.99 3.72 0.09 1.39 -5.25 -1.26 -5.05 121.20 122.84 1r79 s ILE 18 Ca 1.23 1.60 0.00 0.00 -0.99 0.00 0.00 60.65 62.50 1r79 s ILE 18 Cb -1.19 -3.97 -0.04 0.00 2.95 0.00 0.00 42.46 40.21 1r79 s ILE 18 CO 0.53 0.28 0.25 -0.70 -1.79 0.00 0.00 174.94 173.51 1r79 s GLU 19 N -1.70 3.46 0.76 0.37 2.56 -1.26 -5.11 118.70 117.77 1r79 s GLU 19 Ca 0.47 -0.45 -0.07 0.00 0.00 0.00 0.00 54.97 54.93 1r79 s GLU 19 Cb -0.27 -3.00 0.11 0.00 2.00 0.00 0.00 34.13 32.96 1r79 s GLU 19 CO 0.34 0.57 1.07 0.34 -0.56 0.00 0.00 175.26 177.02 1r79 s ASP 20 N -2.71 4.35 -0.09 -1.70 -1.08 -1.26 -5.04 116.67 109.15 1r79 s ASP 20 Ca 0.35 0.19 0.02 0.00 -0.52 0.00 0.00 52.55 52.60 1r79 s ASP 20 Cb -0.12 -0.66 -0.07 0.00 -1.46 0.00 0.00 42.92 40.61 1r79 s ASP 20 CO 0.28 -1.89 -0.05 0.00 0.52 0.00 0.00 175.17 174.03 1r79 n ALA 21 N -3.06 1.81 -3.04 3.66 0.00 -1.26 -4.78 120.51 113.84 1r79 n ALA 21 Ca 0.11 -0.42 -0.45 0.00 0.00 0.00 0.00 53.44 52.69 1r79 n ALA 21 Cb 0.60 0.23 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 1r79 n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r79 s ASP 22 N -4.60 6.66 -0.08 0.00 1.11 -1.26 -4.77 116.67 113.73 1r79 s ASP 22 Ca -0.10 -2.21 -0.06 0.00 0.18 0.00 0.00 52.55 50.37 1r79 s ASP 22 Cb 0.03 -2.35 0.02 0.00 1.07 0.00 0.00 42.92 41.70 1r79 s ASP 22 CO 0.24 -0.93 0.12 0.61 1.18 0.00 0.00 175.17 176.38 1r79 n GLY 23 N 5.07 -4.17 3.79 0.21 0.00 -1.26 -4.94 105.19 103.90 1r79 n GLY 23 Ca 0.20 0.88 -0.36 0.00 0.00 0.00 0.00 46.02 46.75 1r79 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r79 s ILE 24 N -0.48 4.28 -0.38 -0.61 1.09 -1.26 -4.90 121.20 118.94 1r79 s ILE 24 Ca -0.14 1.70 -0.35 0.00 -1.10 0.00 0.00 60.65 60.77 1r79 s ILE 24 Cb 0.01 -3.90 -0.15 0.00 -1.06 0.00 0.00 42.46 37.37 1r79 s ILE 24 CO 0.37 0.03 1.34 0.00 -0.10 0.00 0.00 174.94 176.58 1r79 n ALA 25 N 0.26 -0.62 -3.74 9.38 0.00 -1.26 -4.89 120.51 119.64 1r79 n ALA 25 Ca 0.03 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 1r79 n ALA 25 Cb 0.51 -1.48 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 1r79 n ALA 25 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1r79 s MET 26 N 3.02 1.28 0.00 0.00 -1.94 -1.26 -5.12 119.30 115.28 1r79 s MET 26 Ca 0.83 -1.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.86 1r79 s MET 26 Cb -1.13 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 33.32 1r79 s MET 26 CO 0.58 -1.13 0.00 -0.35 -0.01 0.00 0.00 175.02 174.10 1r79 n PRO 27 N 3.67 -0.75 -3.82 2.03 -0.04 -1.26 -2.97 135.00 131.85 1r79 n PRO 27 Ca 0.07 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.17 1r79 n PRO 27 Cb 0.35 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.69 1r79 n PRO 27 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1r79 s HIS 28 N -0.87 3.09 -0.96 0.54 3.76 -1.26 -4.52 115.29 115.08 1r79 s HIS 28 Ca 0.00 -0.37 -0.24 0.00 -0.15 0.00 0.00 55.06 54.30 1r79 s HIS 28 Cb 0.00 -2.21 -0.00 0.00 1.11 0.00 0.00 32.58 31.48 1r79 s HIS 28 CO 0.00 -0.30 1.72 -1.14 -0.85 0.00 0.00 174.74 174.18 1r79 s GLN 29 N 1.43 3.03 -0.15 1.40 2.00 -1.26 -4.95 119.66 121.15 1r79 s GLN 29 Ca 0.05 -0.67 -0.29 0.00 -2.00 0.00 0.00 55.36 52.45 1r79 s GLN 29 Cb -0.15 -5.20 -0.01 0.00 0.80 0.00 0.00 33.01 28.46 1r79 s GLN 29 CO 0.03 -2.85 1.08 -1.58 -0.50 0.00 0.00 175.29 171.48 1r79 s TRP 30 N 7.77 3.31 -0.37 1.67 0.23 -1.26 -2.37 118.94 127.91 1r79 s TRP 30 Ca 0.59 1.41 -0.03 0.00 -2.03 0.00 0.00 56.10 56.04 1r79 s TRP 30 Cb -0.04 -3.30 0.09 0.00 0.03 0.00 0.00 33.47 30.25 1r79 s TRP 30 CO -0.05 -0.69 0.13 -0.51 0.96 0.00 0.00 176.95 176.79 1r79 s LEU 31 N 2.70 4.75 0.00 2.99 1.02 -0.59 -4.89 118.68 124.66 1r79 s LEU 31 Ca 0.49 -1.72 -0.37 0.00 0.02 0.00 0.00 54.13 52.54 1r79 s LEU 31 Cb -0.18 -1.79 -0.16 0.00 0.02 0.00 0.00 46.19 44.07 1r79 s LEU 31 CO 0.14 -0.44 1.44 1.21 0.02 0.00 0.00 176.35 178.72 1r79 n GLU 32 N 4.62 1.17 0.00 1.70 2.13 -1.26 -3.47 120.64 125.52 1r79 n GLU 32 Ca -0.06 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1r79 n GLU 32 Cb 0.42 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1r79 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r79 n GLY 33 N 2.91 0.27 3.86 8.31 0.00 0.15 -4.88 105.19 115.81 1r79 n GLY 33 Ca 0.20 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1r79 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r79 n ASN 34 N -0.11 -1.52 -4.76 1.61 6.94 -1.26 -4.55 115.26 111.61 1r79 n ASN 34 Ca 0.00 -0.98 -0.36 0.00 -0.02 0.00 0.00 54.58 53.22 1r79 n ASN 34 Cb 0.00 -3.26 -0.08 0.00 -2.36 0.00 0.00 39.78 34.08 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1r79 s LEU 35 N -6.82 3.94 0.85 -4.53 2.01 -1.26 -4.89 118.68 107.97 1r79 s LEU 35 Ca 0.11 0.27 -0.11 0.00 0.01 0.00 0.00 54.13 54.40 1r79 s LEU 35 Cb -0.04 -1.94 0.10 0.00 0.01 0.00 0.00 46.19 44.32 1r79 s LEU 35 CO 0.87 0.36 1.09 -2.16 1.01 0.00 0.00 176.35 177.53 1r79 s PRO 36 N -0.78 1.67 0.22 1.29 0.04 -1.26 -4.96 135.00 131.23 1r79 s PRO 36 Ca 0.13 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 1r79 s PRO 36 Cb -0.12 -1.84 0.20 0.00 0.04 0.00 0.00 34.50 32.77 1r79 s PRO 36 CO 0.03 -2.00 1.78 -0.39 0.04 0.00 0.00 177.00 176.46 1r79 h VAL 37 N -1.38 1.26 -1.01 -0.36 -1.51 -1.94 -2.81 116.25 108.50 1r79 h VAL 37 Ca -0.47 -0.85 -0.67 0.00 -1.23 0.00 0.00 66.70 63.48 1r79 h VAL 37 Cb 1.26 0.40 -0.31 0.00 -2.13 0.00 0.00 31.29 30.52 1r79 h VAL 37 CO 0.53 0.34 0.67 -1.20 -1.23 0.00 0.00 177.57 176.68 1r79 n SER 38 N -4.27 7.36 -4.70 4.19 7.64 -1.26 -4.96 113.62 117.62 1r79 n SER 38 Ca 0.06 -3.79 -0.42 0.00 1.01 0.00 0.00 58.87 55.73 1r79 n SER 38 Cb 0.21 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r79 s ALA 39 N -3.81 3.48 -0.05 -0.43 0.00 -1.06 -4.98 121.76 114.91 1r79 s ALA 39 Ca 0.63 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.39 1r79 s ALA 39 Cb 0.49 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 1r79 s ALA 39 CO -0.02 -0.69 -0.19 0.21 0.00 0.00 0.00 175.76 175.07 1r79 s LYS 40 N 1.87 1.99 0.72 0.00 2.47 -1.26 -0.09 119.74 125.44 1r79 s LYS 40 Ca 0.59 -0.68 -0.16 0.00 -1.56 0.00 0.00 55.97 54.15 1r79 s LYS 40 Cb -0.28 -1.71 0.03 0.00 -1.46 0.00 0.00 37.83 34.41 1r79 s LYS 40 CO 0.25 0.27 1.24 0.00 0.16 0.00 0.00 175.35 177.28 1r79 n THR 42 N -2.53 0.00 -0.01 0.00 5.66 -0.72 -3.17 114.28 113.51 1r79 n THR 42 Ca 0.14 -0.29 -0.21 0.00 -3.05 0.00 0.00 64.05 60.64 1r79 n THR 42 Cb 0.49 0.99 -0.14 0.00 -1.55 0.00 0.00 70.33 70.13 1r79 n THR 42 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1r79 n VAL 43 N -1.22 1.75 0.16 1.08 0.31 -1.26 -4.52 118.33 114.62 1r79 n VAL 43 Ca 0.02 -0.64 0.03 0.00 -0.01 0.00 0.00 64.34 63.74 1r79 n VAL 43 Cb 0.14 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 1r79 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r79 n ASP 45 N -1.39 -3.09 -3.48 0.00 2.03 -1.19 -5.03 116.55 104.40 1r79 n ASP 45 Ca 0.00 -0.46 -0.19 0.00 0.52 0.00 0.00 54.79 54.66 1r79 n ASP 45 Cb 0.12 -4.02 -0.04 0.00 -0.72 0.00 0.00 41.12 36.46 1r79 n ASP 45 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1r79 n LYS 46 N -3.57 1.07 -1.71 -0.67 5.02 -1.26 -4.87 118.16 112.17 1r79 n LYS 46 Ca -0.15 -2.30 -0.43 0.00 -2.02 0.00 0.00 58.31 53.42 1r79 n LYS 46 Cb 0.60 0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 36.38 1r79 n LYS 46 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r79 n THR 47 N -0.74 0.21 -4.46 -0.18 -2.24 -1.26 -0.92 114.28 104.69 1r79 n THR 47 Ca -0.10 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 1r79 n THR 47 Cb 0.40 -1.86 -0.10 0.00 -2.10 0.00 0.00 70.33 66.67 1r79 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r79 n GLY 49 N -0.74 0.39 2.04 0.00 0.00 -1.25 -4.12 105.19 101.51 1r79 n GLY 49 Ca -0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1r79 n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r79 n SER 50 N -0.85 -0.03 -4.66 1.61 3.41 -1.26 -4.62 113.62 107.22 1r79 n SER 50 Ca 0.00 0.02 -0.62 0.00 -0.26 0.00 0.00 58.87 58.01 1r79 n SER 50 Cb 0.35 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1r79 n SER 50 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1r79 n VAL 51 N 4.14 0.06 -3.77 -3.33 0.24 -1.26 -0.71 118.33 113.70 1r79 n VAL 51 Ca 0.39 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 62.41 1r79 n VAL 51 Cb 0.03 -0.53 0.02 0.00 -1.47 0.00 0.00 33.84 31.89 1r79 n VAL 51 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1r79 n LEU 52 N 3.42 -2.76 -3.67 1.34 4.32 -1.26 -4.97 117.00 113.41 1r79 n LEU 52 Ca 0.26 -0.96 -0.09 0.00 -0.02 0.00 0.00 56.01 55.19 1r79 n LEU 52 Cb 0.04 -2.41 -0.02 0.00 -1.62 0.00 0.00 43.42 39.41 1r79 n LEU 52 CO 0.77 0.44 0.43 -0.13 -1.22 0.00 0.00 177.39 177.68 1r79 s ARG 53 N -6.14 1.56 -0.36 3.23 1.81 0.12 -5.08 118.95 114.09 1r79 s ARG 53 Ca 0.21 -0.77 0.13 0.00 -1.72 0.00 0.00 55.73 53.58 1r79 s ARG 53 Cb -0.07 0.60 0.45 0.00 -0.45 0.00 0.00 34.95 35.47 1r79 s ARG 53 CO 0.86 -0.70 1.03 1.28 -0.68 0.00 0.00 175.30 177.08 1r79 n LEU 54 N -0.42 2.87 -0.11 2.53 4.32 -1.26 -4.70 117.00 120.22 1r79 n LEU 54 Ca -0.10 -4.31 -0.25 0.00 -0.02 0.00 0.00 56.01 51.34 1r79 n LEU 54 Cb 0.62 0.05 -0.08 0.00 -1.62 0.00 0.00 43.42 42.39 1r79 n LEU 54 CO 0.14 1.82 -1.28 0.00 -1.22 0.00 0.00 177.39 176.85 1r79 n GLN 55 N -0.28 0.48 -0.99 3.23 10.64 -1.26 -2.59 117.38 126.61 1r79 n GLN 55 Ca 0.22 0.21 -0.36 0.00 -1.83 0.00 0.00 57.00 55.24 1r79 n GLN 55 Cb 0.76 -1.31 0.04 0.00 -0.86 0.00 0.00 30.24 28.87 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1r79 n ASP 56 N -4.02 -5.42 -4.13 2.61 9.92 -1.26 -3.74 116.55 110.49 1r79 n ASP 56 Ca -0.45 0.15 -0.26 0.00 -0.53 0.00 0.00 54.79 53.71 1r79 n ASP 56 Cb 0.82 -0.73 -0.16 0.00 -0.64 0.00 0.00 41.12 40.41 1r79 n ASP 56 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1r79 s TRP 57 N -2.01 1.66 0.01 1.24 0.52 -1.20 0.30 118.94 119.45 1r79 s TRP 57 Ca 0.40 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.10 1r79 s TRP 57 Cb -0.13 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 1r79 s TRP 57 CO 0.80 -0.14 -0.08 -0.98 0.02 0.00 0.00 176.95 176.56 1r79 s ARG 58 N -0.03 0.64 0.45 4.98 1.70 -1.23 -1.53 118.95 123.94 1r79 s ARG 58 Ca -0.02 -0.39 -0.21 0.00 -0.47 0.00 0.00 55.73 54.63 1r79 s ARG 58 Cb -0.11 -0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 33.58 1r79 s ARG 58 CO 0.02 0.16 1.01 0.00 -1.08 0.00 0.00 175.30 175.41 1r79 n LEU 60 N -0.62 0.42 0.00 0.00 -0.00 -1.00 -3.36 117.00 112.44 1r79 n LEU 60 Ca 0.07 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1r79 n LEU 60 Cb 0.52 0.26 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 1r79 n LEU 60 CO 0.40 0.32 0.00 0.79 -0.00 0.00 0.00 177.39 178.91 1r79 n TRP 61 N -2.79 0.00 0.27 1.96 8.01 -1.26 -4.45 117.44 119.17 1r79 n TRP 61 Ca -0.20 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.13 1r79 n TRP 61 Cb 0.98 -0.19 0.73 0.00 -2.01 0.00 0.00 31.31 30.82 1r79 n TRP 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1r79 n LYS 63 N -3.49 -4.40 -4.94 0.00 5.02 -1.21 -5.03 118.16 104.11 1r79 n LYS 63 Ca -0.01 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.48 1r79 n LYS 63 Cb 0.26 -4.63 -0.15 0.00 -0.02 0.00 0.00 35.03 30.49 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r79 s ALA 64 N -3.22 2.47 0.14 7.82 0.00 -1.26 -4.80 121.76 122.92 1r79 s ALA 64 Ca 0.09 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.15 1r79 s ALA 64 Cb -0.04 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1r79 s ALA 64 CO 0.46 0.30 0.26 -1.64 0.00 0.00 0.00 175.76 175.14 1r79 s MET 65 N 0.21 3.38 0.06 0.00 -1.94 -1.26 -0.44 119.30 119.31 1r79 s MET 65 Ca -0.11 -0.61 -0.22 0.00 -1.71 0.00 0.00 55.69 53.04 1r79 s MET 65 Cb -0.16 -2.94 0.05 0.00 2.01 0.00 0.00 34.83 33.80 1r79 s MET 65 CO 0.06 0.53 0.53 0.14 -0.01 0.00 0.00 175.02 176.26 1r79 s VAL 66 N -1.72 0.03 0.16 -6.03 -7.23 -0.58 -1.75 120.40 103.28 1r79 s VAL 66 Ca 0.34 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 1r79 s VAL 66 Cb -0.11 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.76 1r79 s VAL 66 CO 0.28 -0.13 1.11 -1.00 -0.31 0.00 0.00 175.10 175.05 1r79 s HIS 67 N -2.67 3.58 0.41 2.82 3.76 -1.26 -3.28 115.29 118.65 1r79 s HIS 67 Ca -0.04 1.57 0.35 0.00 -0.15 0.00 0.00 55.06 56.79 1r79 s HIS 67 Cb -0.00 -3.29 1.32 0.00 1.11 0.00 0.00 32.58 31.72 1r79 s HIS 67 CO -0.04 -0.66 1.26 2.41 -0.85 0.00 0.00 174.74 176.86 1r79 n THR 68 N 2.59 -0.08 0.05 1.30 -1.04 -1.26 0.25 114.28 116.09 1r79 n THR 68 Ca 0.03 1.30 -0.22 0.00 -2.04 0.00 0.00 64.05 63.13 1r79 n THR 68 Cb 0.46 -2.15 -0.15 0.00 -1.82 0.00 0.00 70.33 66.67 1r79 n THR 68 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1r79 h SER 69 N 0.00 0.54 -0.47 8.00 0.87 -2.02 -3.36 113.55 117.11 1r79 h SER 69 Ca 0.74 -0.89 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1r79 h SER 69 Cb 2.75 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 64.51 1r79 h SER 69 CO -0.15 1.77 0.04 0.00 -0.53 0.00 0.00 176.83 177.96 1r79 n LYS 71 N -4.22 -0.14 0.19 0.00 4.81 0.94 0.20 118.16 119.95 1r79 n LYS 71 Ca 0.03 1.12 0.18 0.00 -0.87 0.00 0.00 58.31 58.77 1r79 n LYS 71 Cb 0.29 -1.67 0.74 0.00 0.02 0.00 0.00 35.03 34.40 1r79 n LYS 71 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1r79 h GLU 72 N 0.00 0.00 0.02 1.64 4.11 -1.76 0.50 114.58 119.09 1r79 h GLU 72 Ca 0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.28 1r79 h GLU 72 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1r79 h GLU 72 CO -0.29 0.00 -0.95 1.03 0.07 0.00 0.00 179.01 178.87 1r79 h SER 73 N 0.00 0.11 -2.67 3.06 0.87 0.22 -3.45 113.55 111.70 1r79 h SER 73 Ca 0.12 -0.10 -0.53 0.00 -1.23 0.00 0.00 61.79 60.05 1r79 h SER 73 Cb 1.01 -0.04 0.04 0.00 -0.44 0.00 0.00 62.40 62.97 1r79 h SER 73 CO -0.00 0.99 1.00 -0.22 -0.53 0.00 0.00 176.83 178.08 1r79 s LEU 74 N -7.06 4.38 -0.18 2.23 2.96 0.17 -4.90 118.68 116.28 1r79 s LEU 74 Ca -0.01 2.67 -0.10 0.00 -0.22 0.00 0.00 54.13 56.47 1r79 s LEU 74 Cb 0.10 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.14 1r79 s LEU 74 CO 0.82 -0.92 -0.24 0.18 -1.32 0.00 0.00 176.35 174.87 1r79 n LEU 75 N 4.92 1.37 -3.11 -0.68 4.77 -1.26 -5.01 117.00 117.99 1r79 n LEU 75 Ca 0.16 0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 56.09 1r79 n LEU 75 Cb 0.38 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1r79 n LEU 75 CO 0.63 0.30 -0.45 0.35 -1.33 0.00 0.00 177.39 176.89 1r79 n THR 76 N -3.88 0.05 -2.92 -5.08 -2.24 -1.26 -4.94 114.28 94.01 1r79 n THR 76 Ca -0.34 -0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 60.86 1r79 n THR 76 Cb 0.72 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1r79 n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r79 s LYS 77 N -0.73 2.84 0.49 -0.78 3.01 -1.26 -5.04 119.74 118.27 1r79 s LYS 77 Ca 0.42 -0.75 -0.00 0.00 -1.01 0.00 0.00 55.97 54.62 1r79 s LYS 77 Cb -0.38 -2.59 0.01 0.00 -1.01 0.00 0.00 37.83 33.86 1r79 s LYS 77 CO 0.48 -0.40 0.72 0.00 0.51 0.00 0.00 175.35 176.66 1r79 n SER 79 N -2.18 1.93 0.00 0.00 2.88 -1.26 -4.75 113.62 110.24 1r79 n SER 79 Ca 0.03 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1r79 n SER 79 Cb 0.58 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r79 n GLY 80 N 1.51 2.85 3.62 0.46 0.00 -1.26 -4.93 105.19 107.44 1r79 n GLY 80 Ca -0.40 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 1r79 n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r79 s PRO 81 N -2.48 3.67 0.00 1.61 0.04 -1.26 -4.68 135.00 131.90 1r79 s PRO 81 Ca 0.00 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 1r79 s PRO 81 Cb 0.00 -4.07 -0.20 0.00 0.04 0.00 0.00 34.50 30.27 1r79 s PRO 81 CO 0.00 -1.45 1.17 0.77 0.04 0.00 0.00 177.00 177.53 1r79 h SER 82 N 11.21 0.39 -1.75 6.66 0.02 -1.95 -3.46 113.55 124.67 1r79 h SER 82 Ca -0.33 -0.66 0.12 0.00 -0.84 0.00 0.00 61.79 60.07 1r79 h SER 82 Cb 1.15 -0.11 -0.23 0.00 0.14 0.00 0.00 62.40 63.35 1r79 h SER 82 CO 1.02 0.99 0.09 -0.55 -1.14 0.00 0.00 176.83 177.23 1r79 s SER 83 N -6.39 -0.82 0.00 3.07 0.15 -1.26 -5.30 113.70 103.15 1r79 s SER 83 Ca -0.14 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1r79 s SER 83 Cb 0.03 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 1r79 s SER 83 CO 0.77 -0.17 0.49 0.61 1.20 0.00 0.00 173.24 176.14