#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 -0.22 -0.13 1.61 0.01 -1.26 -5.19 113.70 108.52 1r79 s SER 2 Ca 0.00 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 1r79 s SER 2 Cb 0.00 0.64 0.13 0.00 0.21 0.00 0.00 66.02 67.00 1r79 s SER 2 CO 0.00 -1.19 1.01 -0.55 0.41 0.00 0.00 173.24 172.92 1r79 s SER 3 N -2.93 -0.32 -0.28 2.44 0.15 -1.26 -5.19 113.70 106.31 1r79 s SER 3 Ca 0.13 0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.73 1r79 s SER 3 Cb -0.03 0.29 0.19 0.00 -1.71 0.00 0.00 66.02 64.76 1r79 s SER 3 CO 0.04 -0.38 1.36 -0.83 1.20 0.00 0.00 173.24 174.62 1r79 s GLY 4 N -1.57 0.10 -0.27 9.45 0.00 -1.26 -5.18 107.32 108.60 1r79 s GLY 4 Ca 0.02 2.88 -0.25 0.00 0.00 0.00 0.00 44.72 47.36 1r79 s GLY 4 CO -0.02 1.18 0.86 -0.56 0.00 0.00 0.00 173.10 174.56 1r79 s SER 5 N -0.92 -0.61 0.29 1.64 0.01 -1.26 -5.18 113.70 107.67 1r79 s SER 5 Ca 0.08 1.16 -0.08 0.00 1.31 0.00 0.00 55.95 58.43 1r79 s SER 5 Cb -0.01 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1r79 s SER 5 CO -0.08 -0.21 0.47 -0.44 0.41 0.00 0.00 173.24 173.39 1r79 s SER 6 N 0.26 0.36 0.00 2.44 0.01 -1.26 -5.18 113.70 110.33 1r79 s SER 6 Ca 0.01 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1r79 s SER 6 Cb -0.05 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1r79 s SER 6 CO -0.02 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.01 1r79 n GLY 7 N -0.46 3.17 3.19 3.44 0.00 -1.26 -5.19 105.19 108.08 1r79 n GLY 7 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1r79 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r79 s THR 8 N -1.32 0.10 0.22 2.61 -4.23 -1.26 -5.17 115.64 106.58 1r79 s THR 8 Ca 0.00 -1.80 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 1r79 s THR 8 Cb 0.00 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1r79 s THR 8 CO 0.00 -0.44 0.24 0.42 -0.54 0.00 0.00 174.62 174.30 1r79 s THR 9 N -4.03 4.78 -0.17 3.99 -4.23 -1.26 -5.11 115.64 109.60 1r79 s THR 9 Ca 0.23 -1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 59.54 1r79 s THR 9 Cb 0.07 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1r79 s THR 9 CO 0.01 -0.26 0.04 -0.76 -0.54 0.00 0.00 174.62 173.11 1r79 s LEU 10 N -3.63 3.68 -0.30 4.79 2.01 -1.26 -5.06 118.68 118.91 1r79 s LEU 10 Ca 0.33 0.04 -0.17 0.00 0.01 0.00 0.00 54.13 54.33 1r79 s LEU 10 Cb -0.09 -1.92 0.18 0.00 0.01 0.00 0.00 46.19 44.37 1r79 s LEU 10 CO 0.26 0.18 1.16 0.00 1.01 0.00 0.00 176.35 178.96 1r79 s ALA 11 N 0.32 -3.00 0.08 4.21 0.00 -1.26 -5.18 121.76 116.93 1r79 s ALA 11 Ca 0.02 1.91 0.02 0.00 0.00 0.00 0.00 51.96 53.91 1r79 s ALA 11 Cb -0.13 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1r79 s ALA 11 CO 0.01 -0.91 -0.08 -1.12 0.00 0.00 0.00 175.76 173.66 1r79 s SER 12 N 2.13 1.14 0.92 0.00 0.01 -1.26 -5.16 113.70 111.48 1r79 s SER 12 Ca -0.01 -0.83 -0.12 0.00 1.31 0.00 0.00 55.95 56.30 1r79 s SER 12 Cb -0.03 0.06 0.14 0.00 0.21 0.00 0.00 66.02 66.40 1r79 s SER 12 CO -0.16 -0.34 1.12 0.27 0.41 0.00 0.00 173.24 174.54 1r79 s ILE 13 N -2.69 2.18 0.00 1.44 -5.25 -1.26 -5.06 121.20 110.55 1r79 s ILE 13 Ca 0.04 0.06 0.00 0.00 -0.99 0.00 0.00 60.65 59.76 1r79 s ILE 13 Cb -0.01 -2.72 0.00 0.00 2.95 0.00 0.00 42.46 42.68 1r79 s ILE 13 CO -0.02 -0.07 0.00 0.61 -1.79 0.00 0.00 174.94 173.66 1r79 n GLY 14 N -1.84 2.60 3.60 6.27 0.00 -1.26 -5.18 105.19 109.38 1r79 n GLY 14 Ca 0.06 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1r79 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r79 s LYS 15 N -2.00 0.39 -0.63 1.61 0.00 -1.26 -5.11 119.74 112.74 1r79 s LYS 15 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 55.97 55.95 1r79 s LYS 15 Cb 0.00 0.18 0.16 0.00 0.00 0.00 0.00 37.83 38.17 1r79 s LYS 15 CO 0.00 -0.12 0.52 0.16 0.00 0.00 0.00 175.35 175.91 1r79 s ASP 16 N -1.13 6.00 -0.41 0.03 1.47 -1.26 -5.03 116.67 116.34 1r79 s ASP 16 Ca 0.03 -2.35 -0.28 0.00 1.18 0.00 0.00 52.55 51.13 1r79 s ASP 16 Cb -0.01 -2.07 -0.08 0.00 -0.34 0.00 0.00 42.92 40.43 1r79 s ASP 16 CO -0.02 -0.61 2.35 -0.38 0.68 0.00 0.00 175.17 177.19 1r79 n ILE 17 N 4.35 0.09 -1.71 2.11 -0.00 -1.26 -4.89 119.36 118.06 1r79 n ILE 17 Ca 0.02 -0.58 -0.43 0.00 -0.00 0.00 0.00 62.75 61.75 1r79 n ILE 17 Cb 0.42 -2.46 -0.03 0.00 -0.00 0.00 0.00 39.64 37.57 1r79 n ILE 17 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 1r79 n ILE 18 N 7.81 0.63 0.00 1.39 -0.00 -1.26 -4.96 119.36 122.98 1r79 n ILE 18 Ca 0.37 -0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 1r79 n ILE 18 Cb 0.45 -1.77 0.00 0.00 -0.00 0.00 0.00 39.64 38.32 1r79 n ILE 18 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1r79 n GLU 19 N 2.69 0.00 -2.64 6.28 4.71 -1.26 -4.76 120.64 125.66 1r79 n GLU 19 Ca 0.12 0.37 -0.43 0.00 -0.01 0.00 0.00 57.16 57.22 1r79 n GLU 19 Cb 0.34 -0.89 -0.02 0.00 -1.01 0.00 0.00 31.44 29.85 1r79 n GLU 19 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1r79 s ASP 20 N -2.48 6.78 -0.23 1.62 -4.77 -1.26 -4.88 116.67 111.44 1r79 s ASP 20 Ca 0.00 0.75 0.11 0.00 -3.30 0.00 0.00 52.55 50.11 1r79 s ASP 20 Cb 0.00 -2.54 0.44 0.00 -1.09 0.00 0.00 42.92 39.74 1r79 s ASP 20 CO 0.00 -1.04 1.30 0.00 0.70 0.00 0.00 175.17 176.13 1r79 n ALA 21 N 7.28 3.83 -2.38 2.11 0.00 -1.26 -4.94 120.51 125.14 1r79 n ALA 21 Ca 0.11 -3.23 -0.05 0.00 0.00 0.00 0.00 53.44 50.28 1r79 n ALA 21 Cb 0.48 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 19.48 1r79 n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r79 n ASP 22 N -1.13 -2.04 0.00 0.00 2.03 -1.26 -4.91 116.55 109.24 1r79 n ASP 22 Ca 0.23 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1r79 n ASP 22 Cb 0.80 -1.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1r79 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r79 n GLY 23 N -1.05 -0.68 3.66 0.27 0.00 -1.26 -5.16 105.19 100.98 1r79 n GLY 23 Ca -0.08 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.42 -0.11 -0.61 -1.09 -1.26 -5.11 121.20 117.45 1r79 s ILE 24 Ca 0.00 -0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1r79 s ILE 24 Cb 0.00 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 1r79 s ILE 24 CO 0.00 0.57 -0.19 0.00 -1.23 0.00 0.00 174.94 174.09 1r79 s ALA 25 N -0.50 2.40 -0.24 9.38 0.00 -1.26 -5.08 121.76 126.46 1r79 s ALA 25 Ca 0.09 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1r79 s ALA 25 Cb -0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1r79 s ALA 25 CO 0.02 0.30 1.81 -1.64 0.00 0.00 0.00 175.76 176.25 1r79 s MET 26 N 0.24 3.54 0.56 0.00 -1.94 -1.26 -4.99 119.30 115.45 1r79 s MET 26 Ca -0.12 1.70 -0.09 0.00 -1.71 0.00 0.00 55.69 55.47 1r79 s MET 26 Cb -0.16 -4.16 0.14 0.00 2.01 0.00 0.00 34.83 32.66 1r79 s MET 26 CO 0.07 -1.61 0.50 -0.35 -0.01 0.00 0.00 175.02 173.61 1r79 n PRO 27 N 8.13 -1.99 -3.49 2.03 -0.04 -1.26 -3.46 135.00 134.91 1r79 n PRO 27 Ca 0.22 -0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 62.46 1r79 n PRO 27 Cb 0.45 -0.75 -0.10 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.90 3.24 -0.92 0.54 3.76 -1.26 -4.61 115.29 114.13 1r79 s HIS 28 Ca 0.32 -0.73 -0.24 0.00 -0.15 0.00 0.00 55.06 54.27 1r79 s HIS 28 Cb -0.03 -2.61 0.00 0.00 1.11 0.00 0.00 32.58 31.05 1r79 s HIS 28 CO 0.25 -0.63 1.68 -1.14 -0.85 0.00 0.00 174.74 174.05 1r79 s GLN 29 N 1.64 3.06 0.25 1.40 2.00 -1.26 -4.97 119.66 121.78 1r79 s GLN 29 Ca 0.04 -0.59 -0.30 0.00 -2.00 0.00 0.00 55.36 52.51 1r79 s GLN 29 Cb -0.20 -5.09 -0.09 0.00 0.80 0.00 0.00 33.01 28.43 1r79 s GLN 29 CO 0.09 -2.74 0.95 -1.58 -0.50 0.00 0.00 175.29 171.50 1r79 s TRP 30 N 7.48 3.96 -0.27 1.67 0.23 -1.26 -2.69 118.94 128.06 1r79 s TRP 30 Ca 0.57 1.91 0.01 0.00 -2.03 0.00 0.00 56.10 56.55 1r79 s TRP 30 Cb -0.04 -2.99 0.08 0.00 0.03 0.00 0.00 33.47 30.55 1r79 s TRP 30 CO -0.02 0.41 0.02 -1.17 0.96 0.00 0.00 176.95 177.15 1r79 s LEU 31 N -1.24 2.73 0.30 2.99 2.96 -1.16 -4.91 118.68 120.35 1r79 s LEU 31 Ca 0.42 -1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 52.63 1r79 s LEU 31 Cb -0.26 -1.11 -0.15 0.00 0.50 0.00 0.00 46.19 45.17 1r79 s LEU 31 CO 0.32 -0.32 0.46 1.21 -1.32 0.00 0.00 176.35 176.70 1r79 n GLU 32 N 4.68 0.26 0.00 1.98 2.13 -1.26 -3.28 120.64 125.15 1r79 n GLU 32 Ca -0.06 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1r79 n GLU 32 Cb 0.43 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.96 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 1.96 0.97 3.17 8.31 0.00 0.56 -4.83 105.19 115.33 1r79 n GLY 33 Ca 0.14 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 1r79 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r79 n ASN 34 N -3.31 -3.90 -4.29 1.61 4.13 -1.26 -4.45 115.26 103.80 1r79 n ASN 34 Ca 0.00 -0.60 -0.32 0.00 1.68 0.00 0.00 54.58 55.33 1r79 n ASN 34 Cb 0.00 -4.77 -0.16 0.00 -1.54 0.00 0.00 39.78 33.31 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1r79 s LEU 35 N -5.63 2.33 0.63 3.41 2.01 -1.26 -4.86 118.68 115.32 1r79 s LEU 35 Ca 0.19 -0.46 -0.16 0.00 0.01 0.00 0.00 54.13 53.71 1r79 s LEU 35 Cb -0.02 -1.48 -0.01 0.00 0.01 0.00 0.00 46.19 44.68 1r79 s LEU 35 CO 0.67 0.18 1.11 -2.16 1.01 0.00 0.00 176.35 177.16 1r79 s PRO 36 N 0.25 2.92 0.18 1.29 0.04 -1.26 -4.92 135.00 133.50 1r79 s PRO 36 Ca -0.13 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 1r79 s PRO 36 Cb -0.17 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.55 1r79 s PRO 36 CO 0.07 -1.16 1.66 -0.24 0.04 0.00 0.00 177.00 177.37 1r79 h VAL 37 N 0.27 0.56 -0.42 -0.36 3.04 -1.98 -0.24 116.25 117.11 1r79 h VAL 37 Ca -0.47 -0.01 -0.29 0.00 -1.01 0.00 0.00 66.70 64.92 1r79 h VAL 37 Cb 1.25 0.54 -0.12 0.00 -2.01 0.00 0.00 31.29 30.95 1r79 h VAL 37 CO 0.55 0.00 0.37 -1.20 -1.01 0.00 0.00 177.57 176.28 1r79 n SER 38 N -5.32 6.28 -4.80 3.17 7.64 -1.26 -4.87 113.62 114.46 1r79 n SER 38 Ca 0.04 -2.99 -0.34 0.00 1.01 0.00 0.00 58.87 56.59 1r79 n SER 38 Cb 0.25 -1.06 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 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 -1.62 2.88 0.11 -0.43 0.00 -0.10 -4.96 121.76 117.64 1r79 s ALA 39 Ca 0.27 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1r79 s ALA 39 Cb 0.22 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1r79 s ALA 39 CO -0.00 -0.29 -0.02 0.21 0.00 0.00 0.00 175.76 175.67 1r79 s LYS 40 N -3.25 0.85 -0.16 0.00 2.20 -1.26 -0.62 119.74 117.50 1r79 s LYS 40 Ca 0.67 -1.37 -0.14 0.00 -0.36 0.00 0.00 55.97 54.77 1r79 s LYS 40 Cb -0.16 -0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.10 1r79 s LYS 40 CO 0.20 -0.12 0.29 0.00 -0.36 0.00 0.00 175.35 175.36 1r79 n THR 42 N 3.53 1.37 0.00 0.00 5.66 -0.35 -1.18 114.28 123.31 1r79 n THR 42 Ca -0.12 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1r79 n THR 42 Cb 0.52 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.44 0.00 -0.29 1.08 0.31 -1.26 -4.83 118.33 113.78 1r79 n VAL 43 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1r79 n VAL 43 Cb 0.70 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 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 -0.14 -2.89 -3.95 0.00 5.75 -0.32 -4.98 116.55 110.01 1r79 n ASP 45 Ca 0.00 -1.00 -0.26 0.00 -0.01 0.00 0.00 54.79 53.52 1r79 n ASP 45 Cb 0.17 -3.29 -0.17 0.00 -1.03 0.00 0.00 41.12 36.81 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r79 s LYS 46 N -6.24 1.57 0.05 0.11 -0.14 -1.25 -4.81 119.74 109.03 1r79 s LYS 46 Ca 0.24 -0.31 -0.23 0.00 -1.36 0.00 0.00 55.97 54.32 1r79 s LYS 46 Cb -0.09 -1.50 -0.12 0.00 -1.68 0.00 0.00 37.83 34.44 1r79 s LYS 46 CO 0.87 -0.16 0.55 -2.37 -0.76 0.00 0.00 175.35 173.48 1r79 n THR 47 N 4.52 0.49 -4.41 2.17 5.66 -1.26 -2.48 114.28 118.97 1r79 n THR 47 Ca -0.17 -0.12 -0.30 0.00 -3.05 0.00 0.00 64.05 60.41 1r79 n THR 47 Cb 0.51 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.23 1r79 n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r79 n GLY 49 N -1.42 0.65 3.22 0.00 0.00 -1.26 -4.27 105.19 102.11 1r79 n GLY 49 Ca -0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1r79 n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r79 n SER 50 N 0.00 -2.64 -3.74 1.61 7.64 -1.26 -4.93 113.62 110.30 1r79 n SER 50 Ca 0.00 -0.26 -0.21 0.00 1.01 0.00 0.00 58.87 59.41 1r79 n SER 50 Cb 0.00 -0.93 0.14 0.00 -1.01 0.00 0.00 64.21 62.41 1r79 n SER 50 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1r79 n VAL 51 N -4.59 0.00 -0.26 0.44 0.24 -1.26 -4.77 118.33 108.12 1r79 n VAL 51 Ca 0.03 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.34 62.19 1r79 n VAL 51 Cb 0.56 -0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 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 -0.86 -0.65 -3.70 1.34 4.77 -1.26 -4.44 117.00 112.19 1r79 n LEU 52 Ca 0.04 1.24 -0.52 0.00 -0.03 0.00 0.00 56.01 56.74 1r79 n LEU 52 Cb 0.40 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1r79 n LEU 52 CO 0.29 -0.97 0.83 -1.14 -1.33 0.00 0.00 177.39 175.07 1r79 n ARG 53 N -4.54 0.00 -2.35 3.23 0.63 -1.26 -4.78 116.66 107.59 1r79 n ARG 53 Ca 0.01 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.51 1r79 n ARG 53 Cb 0.16 -1.18 -0.02 0.00 0.45 0.00 0.00 32.46 31.87 1r79 n ARG 53 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1r79 s LEU 54 N 1.97 3.79 0.07 6.15 2.01 -1.26 -4.76 118.68 126.63 1r79 s LEU 54 Ca 0.81 1.16 0.00 0.00 0.01 0.00 0.00 54.13 56.10 1r79 s LEU 54 Cb -1.15 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 41.51 1r79 s LEU 54 CO 0.61 -1.23 0.00 0.00 1.01 0.00 0.00 176.35 176.74 1r79 n GLN 55 N 7.62 0.00 -0.78 1.70 6.02 -1.26 -4.35 117.38 126.33 1r79 n GLN 55 Ca 0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.89 1r79 n GLN 55 Cb 0.47 -0.04 -0.01 0.00 1.02 0.00 0.00 30.24 31.68 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1r79 n ASP 56 N -2.78 -1.27 -4.53 1.08 9.92 -1.26 -2.56 116.55 115.15 1r79 n ASP 56 Ca 0.00 0.55 -0.32 0.00 -0.53 0.00 0.00 54.79 54.49 1r79 n ASP 56 Cb 0.00 -0.53 -0.12 0.00 -0.64 0.00 0.00 41.12 39.83 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 -0.81 2.75 -0.09 1.24 0.52 -1.18 0.21 118.94 121.58 1r79 s TRP 57 Ca 0.36 -0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.31 1r79 s TRP 57 Cb -0.44 -1.58 0.05 0.00 -1.15 0.00 0.00 33.47 30.34 1r79 s TRP 57 CO 0.35 0.29 0.19 -0.98 0.02 0.00 0.00 176.95 176.82 1r79 s ARG 58 N -1.20 0.09 0.57 4.98 1.70 -1.21 -1.54 118.95 122.34 1r79 s ARG 58 Ca 0.15 0.56 -0.21 0.00 -0.47 0.00 0.00 55.73 55.76 1r79 s ARG 58 Cb -0.11 -0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 1r79 s ARG 58 CO 0.05 -0.26 1.34 0.00 -1.08 0.00 0.00 175.30 175.35 1r79 n LEU 60 N -1.22 0.17 -0.07 0.00 0.00 -1.09 -2.81 117.00 111.98 1r79 n LEU 60 Ca 0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 56.01 55.95 1r79 n LEU 60 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.82 1r79 n LEU 60 CO 0.51 0.04 0.03 -0.50 0.00 0.00 0.00 177.39 177.48 1r79 h TRP 61 N 0.00 0.00 0.00 1.96 6.55 -1.86 -3.39 115.95 119.22 1r79 h TRP 61 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1r79 h TRP 61 Cb 0.82 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 1r79 h TRP 61 CO 0.00 0.50 -1.16 0.00 -1.05 0.00 0.00 178.44 176.73 1r79 n LYS 63 N -2.41 -3.68 -4.09 0.00 4.01 -1.12 -5.03 118.16 105.84 1r79 n LYS 63 Ca -0.00 0.52 -0.34 0.00 -0.51 0.00 0.00 58.31 57.99 1r79 n LYS 63 Cb 0.52 -4.51 -0.15 0.00 -0.51 0.00 0.00 35.03 30.38 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1r79 s ALA 64 N -3.22 2.50 0.05 7.82 0.00 -1.23 -4.89 121.76 122.79 1r79 s ALA 64 Ca 0.04 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 1r79 s ALA 64 Cb -0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 1r79 s ALA 64 CO 0.45 -0.35 0.55 -1.64 0.00 0.00 0.00 175.76 174.78 1r79 s MET 65 N 1.31 4.19 0.12 0.00 -1.94 -1.26 -1.55 119.30 120.17 1r79 s MET 65 Ca 0.04 0.69 -0.10 0.00 -1.71 0.00 0.00 55.69 54.62 1r79 s MET 65 Cb -0.14 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1r79 s MET 65 CO -0.08 0.60 0.26 0.14 -0.01 0.00 0.00 175.02 175.93 1r79 s VAL 66 N -0.95 0.10 0.38 -6.03 -7.23 -0.59 -1.21 120.40 104.87 1r79 s VAL 66 Ca 0.29 -1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 1r79 s VAL 66 Cb -0.19 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.16 1r79 s VAL 66 CO 0.18 -0.47 0.79 -1.00 -0.31 0.00 0.00 175.10 174.29 1r79 s HIS 67 N -3.89 3.41 0.33 2.82 3.76 -1.26 -3.10 115.29 117.36 1r79 s HIS 67 Ca 0.09 1.21 0.12 0.00 -0.15 0.00 0.00 55.06 56.34 1r79 s HIS 67 Cb 0.04 -2.55 1.02 0.00 1.11 0.00 0.00 32.58 32.19 1r79 s HIS 67 CO -0.07 -0.04 1.67 1.79 -0.85 0.00 0.00 174.74 177.25 1r79 h THR 68 N 1.55 0.35 0.05 1.30 1.35 -1.93 0.36 112.91 115.94 1r79 h THR 68 Ca -0.48 -0.12 -0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1r79 h THR 68 Cb 1.18 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1r79 h THR 68 CO 0.64 0.07 -0.03 -1.28 -0.25 0.00 0.00 175.52 174.67 1r79 h SER 69 N 0.36 -0.06 -1.03 5.36 0.87 -2.03 -3.33 113.55 113.69 1r79 h SER 69 Ca 0.70 -0.23 0.28 0.00 -1.23 0.00 0.00 61.79 61.32 1r79 h SER 69 Cb 1.54 0.02 -0.12 0.00 -0.44 0.00 0.00 62.40 63.39 1r79 h SER 69 CO -0.59 0.54 0.62 0.00 -0.53 0.00 0.00 176.83 176.87 1r79 h LYS 71 N 0.44 0.02 -0.44 0.00 3.64 -0.41 1.36 116.57 121.18 1r79 h LYS 71 Ca 0.67 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.93 1r79 h LYS 71 Cb 1.50 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 1r79 h LYS 71 CO -0.47 0.01 -0.20 0.93 -2.27 0.00 0.00 179.45 177.46 1r79 h GLU 72 N 0.02 0.92 -0.12 1.90 5.08 -1.01 -3.19 114.58 118.17 1r79 h GLU 72 Ca 0.85 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1r79 h GLU 72 Cb 2.41 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.60 1r79 h GLU 72 CO -0.66 1.05 -0.09 0.77 -1.00 0.00 0.00 179.01 179.08 1r79 h SER 73 N 0.75 -0.27 -1.13 1.42 0.02 0.17 -3.42 113.55 111.09 1r79 h SER 73 Ca 0.10 0.06 -0.82 0.00 -0.84 0.00 0.00 61.79 60.29 1r79 h SER 73 Cb 0.77 0.14 0.03 0.00 0.14 0.00 0.00 62.40 63.48 1r79 h SER 73 CO 0.06 -0.12 0.49 -0.11 -1.14 0.00 0.00 176.83 176.02 1r79 n LEU 74 N -5.23 1.00 -0.03 5.07 7.94 -0.90 -4.84 117.00 120.02 1r79 n LEU 74 Ca -0.04 1.16 -0.03 0.00 -1.11 0.00 0.00 56.01 55.99 1r79 n LEU 74 Cb 0.15 -0.95 -0.03 0.00 0.53 0.00 0.00 43.42 43.12 1r79 n LEU 74 CO 0.25 -1.15 -0.67 0.00 -1.11 0.00 0.00 177.39 174.71 1r79 n LEU 75 N 3.24 1.88 -4.53 -1.96 -0.00 -1.26 -5.03 117.00 109.34 1r79 n LEU 75 Ca 0.26 -0.02 -0.42 0.00 -0.00 0.00 0.00 56.01 55.82 1r79 n LEU 75 Cb 0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1r79 n LEU 75 CO 0.77 0.42 0.35 0.35 -0.00 0.00 0.00 177.39 179.28 1r79 n THR 76 N -2.48 2.09 -2.89 1.47 -2.24 -1.26 -4.95 114.28 104.02 1r79 n THR 76 Ca -0.09 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1r79 n THR 76 Cb 0.62 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.71 3.96 0.81 -0.78 3.01 -1.26 -5.05 119.74 118.72 1r79 s LYS 77 Ca 0.62 0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 56.19 1r79 s LYS 77 Cb -0.62 -2.34 0.08 0.00 -1.01 0.00 0.00 37.83 33.94 1r79 s LYS 77 CO 0.58 0.00 1.09 0.00 0.51 0.00 0.00 175.35 177.53 1r79 n SER 79 N -3.60 2.01 0.00 0.00 7.64 -1.26 -4.72 113.62 113.69 1r79 n SER 79 Ca 0.08 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1r79 n SER 79 Cb 0.54 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r79 n GLY 80 N 2.19 3.64 3.64 0.23 0.00 -1.26 -4.95 105.19 108.68 1r79 n GLY 80 Ca -0.43 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.98 -0.20 0.06 1.61 0.04 -1.26 -4.38 135.00 127.88 1r79 s PRO 81 Ca 0.00 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 1r79 s PRO 81 Cb 0.00 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1r79 s PRO 81 CO 0.00 -3.11 0.01 -1.12 0.04 0.00 0.00 177.00 172.82 1r79 s SER 82 N -3.59 0.43 0.02 6.66 0.01 -1.26 -5.06 113.70 110.90 1r79 s SER 82 Ca 0.67 -0.95 -0.22 0.00 1.31 0.00 0.00 55.95 56.76 1r79 s SER 82 Cb -0.16 0.23 -0.16 0.00 0.21 0.00 0.00 66.02 66.14 1r79 s SER 82 CO 0.57 -0.62 1.36 0.28 0.41 0.00 0.00 173.24 175.24 1r79 h SER 83 N 3.08 0.21 -0.01 2.44 0.02 -2.01 -3.52 113.55 113.76 1r79 h SER 83 Ca -0.34 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1r79 h SER 83 Cb 1.15 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1r79 h SER 83 CO 0.64 0.60 0.00 0.61 -1.14 0.00 0.00 176.83 177.54