#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 -0.57 0.09 1.61 1.04 -1.26 -5.18 113.70 109.43 1r79 s SER 2 Ca 0.00 0.40 -0.26 0.00 0.48 0.00 0.00 55.95 56.57 1r79 s SER 2 Cb 0.00 1.50 0.09 0.00 0.10 0.00 0.00 66.02 67.70 1r79 s SER 2 CO 0.00 -0.11 1.13 -0.55 0.98 0.00 0.00 173.24 174.69 1r79 s SER 3 N 2.88 -0.06 0.00 7.02 0.15 -1.26 -5.16 113.70 117.27 1r79 s SER 3 Ca 0.01 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1r79 s SER 3 Cb -0.10 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1r79 s SER 3 CO -0.13 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1r79 n GLY 4 N -0.62 0.63 3.76 9.45 0.00 -1.26 -5.17 105.19 111.99 1r79 n GLY 4 Ca -0.04 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 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 5.47 0.22 1.61 0.15 -1.26 -5.11 113.70 114.78 1r79 s SER 5 Ca 0.00 -0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.41 1r79 s SER 5 Cb 0.00 -1.46 0.05 0.00 -1.71 0.00 0.00 66.02 62.90 1r79 s SER 5 CO 0.00 0.19 0.86 -0.55 1.20 0.00 0.00 173.24 174.94 1r79 s SER 6 N -2.26 -0.18 -0.03 5.45 0.15 -1.26 -5.18 113.70 110.39 1r79 s SER 6 Ca 0.28 -0.56 -0.10 0.00 0.70 0.00 0.00 55.95 56.26 1r79 s SER 6 Cb -0.12 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1r79 s SER 6 CO 0.20 -1.14 0.22 -0.83 1.20 0.00 0.00 173.24 172.89 1r79 s GLY 7 N -2.98 -0.08 -0.19 9.45 0.00 -1.26 -5.16 107.32 107.10 1r79 s GLY 7 Ca 0.13 0.21 -0.28 0.00 0.00 0.00 0.00 44.72 44.78 1r79 s GLY 7 CO 0.05 0.06 0.90 -1.08 0.00 0.00 0.00 173.10 173.03 1r79 s THR 8 N -1.01 0.00 0.04 0.90 -1.32 -1.26 -5.18 115.64 107.81 1r79 s THR 8 Ca -0.11 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.40 1r79 s THR 8 Cb -0.05 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1r79 s THR 8 CO 0.02 0.00 -0.10 0.28 -2.21 0.00 0.00 174.62 172.61 1r79 s THR 9 N -0.47 0.76 0.26 5.08 -1.32 -1.26 -5.16 115.64 113.54 1r79 s THR 9 Ca -0.02 -0.97 0.05 0.00 -1.21 0.00 0.00 61.69 59.54 1r79 s THR 9 Cb -0.03 -0.75 -0.03 0.00 -1.51 0.00 0.00 72.50 70.19 1r79 s THR 9 CO 0.01 -0.19 0.39 -1.48 -2.21 0.00 0.00 174.62 171.14 1r79 s LEU 10 N -1.29 4.24 0.22 9.08 -0.00 -1.26 -5.13 118.68 124.55 1r79 s LEU 10 Ca -0.04 0.07 0.09 0.00 -0.00 0.00 0.00 54.13 54.25 1r79 s LEU 10 Cb -0.08 -2.88 -0.05 0.00 -0.00 0.00 0.00 46.19 43.18 1r79 s LEU 10 CO 0.01 -0.14 -0.17 0.00 -0.00 0.00 0.00 176.35 176.05 1r79 s ALA 11 N -2.04 2.21 0.14 1.48 0.00 -1.26 -5.13 121.76 117.16 1r79 s ALA 11 Ca 0.36 -1.69 -0.28 0.00 0.00 0.00 0.00 51.96 50.35 1r79 s ALA 11 Cb -0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 1r79 s ALA 11 CO 0.30 0.15 0.87 -1.54 0.00 0.00 0.00 175.76 175.54 1r79 s SER 12 N -3.25 7.45 0.11 0.00 1.04 -1.26 -5.06 113.70 112.72 1r79 s SER 12 Ca 0.23 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1r79 s SER 12 Cb -0.03 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1r79 s SER 12 CO 0.09 0.07 -0.01 0.27 0.98 0.00 0.00 173.24 174.64 1r79 s ILE 13 N -0.56 0.41 -0.10 -1.02 -5.25 -1.26 -5.15 121.20 108.26 1r79 s ILE 13 Ca 0.41 -1.90 -0.03 0.00 -0.99 0.00 0.00 60.65 58.13 1r79 s ILE 13 Cb -0.23 -1.82 0.05 0.00 2.95 0.00 0.00 42.46 43.41 1r79 s ILE 13 CO 0.28 -0.73 0.08 -0.83 -1.79 0.00 0.00 174.94 171.96 1r79 s GLY 14 N -3.04 0.25 -0.02 6.27 0.00 -1.26 -5.00 107.32 104.53 1r79 s GLY 14 Ca 0.16 0.01 0.15 0.00 0.00 0.00 0.00 44.72 45.04 1r79 s GLY 14 CO -0.03 1.57 0.66 0.58 0.00 0.00 0.00 173.10 175.89 1r79 n LYS 15 N 5.29 0.63 -3.78 2.90 0.00 -1.26 -4.97 118.16 116.97 1r79 n LYS 15 Ca -0.05 0.22 -0.24 0.00 -0.00 0.00 0.00 58.31 58.24 1r79 n LYS 15 Cb 0.50 -1.76 -0.02 0.00 -0.00 0.00 0.00 35.03 33.74 1r79 n LYS 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1r79 n ASP 16 N -2.93 -0.95 -2.54 -5.58 5.75 -1.26 -4.59 116.55 104.45 1r79 n ASP 16 Ca -0.15 -0.80 -0.30 0.00 -0.01 0.00 0.00 54.79 53.53 1r79 n ASP 16 Cb 0.96 -0.97 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 1r79 n ASP 16 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1r79 n ILE 17 N -3.34 0.65 -4.02 2.12 2.08 -1.26 -4.92 119.36 110.67 1r79 n ILE 17 Ca -0.14 -0.16 -0.30 0.00 0.56 0.00 0.00 62.75 62.71 1r79 n ILE 17 Cb 0.39 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.22 1r79 n ILE 17 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1r79 s ILE 18 N -0.33 4.75 -0.07 1.39 1.01 -1.26 -5.11 121.20 121.58 1r79 s ILE 18 Ca 0.43 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1r79 s ILE 18 Cb -0.62 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1r79 s ILE 18 CO 0.32 0.10 0.15 -1.61 0.00 0.00 0.00 174.94 173.90 1r79 s GLU 19 N -2.52 3.41 1.16 2.79 8.01 -1.26 -5.09 118.70 125.19 1r79 s GLU 19 Ca 0.31 -0.24 -0.18 0.00 0.01 0.00 0.00 54.97 54.88 1r79 s GLU 19 Cb -0.12 -3.12 0.19 0.00 -4.31 0.00 0.00 34.13 26.76 1r79 s GLU 19 CO 0.24 0.73 0.33 -0.25 0.01 0.00 0.00 175.26 176.31 1r79 n ASP 20 N 1.51 -2.69 -0.10 -0.19 8.00 -1.26 -4.98 116.55 116.83 1r79 n ASP 20 Ca -0.16 -0.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.80 1r79 n ASP 20 Cb 0.54 -0.96 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 1r79 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r79 n ALA 21 N -4.72 0.90 -2.44 2.24 0.00 -1.26 -4.91 120.51 110.32 1r79 n ALA 21 Ca 0.04 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.54 1r79 n ALA 21 Cb 0.55 -0.42 -0.16 0.00 0.00 0.00 0.00 19.45 19.42 1r79 n ALA 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1r79 s ASP 22 N -7.00 2.80 -0.13 0.00 1.47 -1.26 -4.91 116.67 107.64 1r79 s ASP 22 Ca -0.31 -0.44 -0.02 0.00 1.18 0.00 0.00 52.55 52.97 1r79 s ASP 22 Cb 0.08 -0.40 0.00 0.00 -0.34 0.00 0.00 42.92 42.26 1r79 s ASP 22 CO 0.59 0.28 0.03 0.61 0.68 0.00 0.00 175.17 177.36 1r79 n GLY 23 N 2.59 -1.47 3.77 2.12 0.00 -1.26 -4.87 105.19 106.07 1r79 n GLY 23 Ca -0.16 0.22 -0.39 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 -1.26 2.75 -0.36 -0.61 -1.09 -1.26 -4.97 121.20 114.40 1r79 s ILE 24 Ca 0.02 0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 1r79 s ILE 24 Cb -0.00 -3.36 0.09 0.00 -1.58 0.00 0.00 42.46 37.61 1r79 s ILE 24 CO 0.31 0.06 0.11 0.00 -1.23 0.00 0.00 174.94 174.19 1r79 s ALA 25 N -1.34 2.99 -0.12 9.38 0.00 -1.26 -5.08 121.76 126.33 1r79 s ALA 25 Ca 0.59 -2.31 0.03 0.00 0.00 0.00 0.00 51.96 50.27 1r79 s ALA 25 Cb -0.35 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1r79 s ALA 25 CO 0.44 -1.62 -0.22 0.00 0.00 0.00 0.00 175.76 174.37 1r79 s MET 26 N 1.12 3.08 1.26 0.00 0.23 -1.26 -5.07 119.30 118.65 1r79 s MET 26 Ca 0.05 -0.84 -0.21 0.00 -1.03 0.00 0.00 55.69 53.65 1r79 s MET 26 Cb -0.21 -2.41 0.31 0.00 -1.53 0.00 0.00 34.83 30.99 1r79 s MET 26 CO -0.04 0.09 1.11 -1.25 -2.03 0.00 0.00 175.02 172.90 1r79 s PRO 27 N 0.57 -1.65 -0.10 3.16 0.04 -1.26 -3.60 135.00 132.15 1r79 s PRO 27 Ca -0.13 -0.22 -0.15 0.00 0.04 0.00 0.00 61.00 60.55 1r79 s PRO 27 Cb -0.17 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 1r79 s PRO 27 CO 0.04 -3.97 0.36 -1.01 0.04 0.00 0.00 177.00 172.46 1r79 s HIS 28 N -3.01 3.56 -0.94 0.56 3.76 -1.26 -4.72 115.29 113.23 1r79 s HIS 28 Ca 0.72 0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 56.17 1r79 s HIS 28 Cb -0.07 -2.35 0.01 0.00 1.11 0.00 0.00 32.58 31.27 1r79 s HIS 28 CO 0.56 0.37 1.67 -1.14 -0.85 0.00 0.00 174.74 175.34 1r79 s GLN 29 N -0.04 3.10 -0.06 1.40 2.00 -1.26 -4.96 119.66 119.84 1r79 s GLN 29 Ca 0.21 -0.67 -0.30 0.00 -2.00 0.00 0.00 55.36 52.60 1r79 s GLN 29 Cb -0.14 -5.15 -0.02 0.00 0.80 0.00 0.00 33.01 28.49 1r79 s GLN 29 CO 0.08 -2.72 1.04 -1.58 -0.50 0.00 0.00 175.29 171.62 1r79 s TRP 30 N 7.32 3.50 -0.38 1.67 0.23 -1.26 -2.76 118.94 127.26 1r79 s TRP 30 Ca 0.56 1.54 -0.02 0.00 -2.03 0.00 0.00 56.10 56.16 1r79 s TRP 30 Cb -0.04 -3.22 0.10 0.00 0.03 0.00 0.00 33.47 30.34 1r79 s TRP 30 CO -0.04 -0.41 0.14 -0.51 0.96 0.00 0.00 176.95 177.09 1r79 s LEU 31 N 1.71 4.93 0.09 2.99 1.02 -0.42 -4.90 118.68 124.10 1r79 s LEU 31 Ca 0.51 -1.92 -0.22 0.00 0.02 0.00 0.00 54.13 52.53 1r79 s LEU 31 Cb -0.21 -1.77 -0.12 0.00 0.02 0.00 0.00 46.19 44.11 1r79 s LEU 31 CO 0.22 -0.47 0.48 1.21 0.02 0.00 0.00 176.35 177.82 1r79 n GLU 32 N 4.54 0.00 0.00 1.70 2.13 -1.26 -3.78 120.64 123.97 1r79 n GLU 32 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1r79 n GLU 32 Cb 0.42 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.34 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 1.22 0.96 2.36 8.31 0.00 0.59 -4.89 105.19 113.75 1r79 n GLY 33 Ca 0.13 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.55 -3.77 -4.81 1.61 3.02 -1.26 -4.50 115.26 101.99 1r79 n ASN 34 Ca 0.00 -0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 53.99 1r79 n ASN 34 Cb 0.00 -2.41 -0.07 0.00 -0.61 0.00 0.00 39.78 36.69 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r79 s LEU 35 N -3.54 4.21 0.44 3.41 2.01 -1.26 -4.96 118.68 118.99 1r79 s LEU 35 Ca 0.22 0.36 -0.24 0.00 0.01 0.00 0.00 54.13 54.48 1r79 s LEU 35 Cb -0.10 -2.03 -0.08 0.00 0.01 0.00 0.00 46.19 44.00 1r79 s LEU 35 CO 0.27 0.35 1.17 -2.16 1.01 0.00 0.00 176.35 177.00 1r79 s PRO 36 N -0.69 3.83 0.39 1.29 0.04 -1.26 -4.90 135.00 133.70 1r79 s PRO 36 Ca 0.13 1.81 0.20 0.00 0.04 0.00 0.00 61.00 63.17 1r79 s PRO 36 Cb -0.12 -2.49 1.16 0.00 0.04 0.00 0.00 34.50 33.10 1r79 s PRO 36 CO 0.03 -0.50 1.70 -0.24 0.04 0.00 0.00 177.00 178.03 1r79 h VAL 37 N 2.00 0.36 -1.06 -0.36 3.04 -1.96 0.48 116.25 118.74 1r79 h VAL 37 Ca -0.49 -0.11 -0.67 0.00 -1.01 0.00 0.00 66.70 64.43 1r79 h VAL 37 Cb 1.24 0.02 -0.31 0.00 -2.01 0.00 0.00 31.29 30.23 1r79 h VAL 37 CO 0.61 0.06 0.60 -1.20 -1.01 0.00 0.00 177.57 176.63 1r79 n SER 38 N -4.79 7.21 -4.77 3.17 7.64 -1.26 -4.94 113.62 115.88 1r79 n SER 38 Ca 0.30 -3.79 -0.39 0.00 1.01 0.00 0.00 58.87 56.01 1r79 n SER 38 Cb 1.04 -0.88 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 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 3.26 -0.13 -0.43 0.00 0.17 -4.99 121.76 115.84 1r79 s ALA 39 Ca 0.61 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.37 1r79 s ALA 39 Cb 0.49 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 20.34 1r79 s ALA 39 CO -0.04 -0.20 0.01 0.21 0.00 0.00 0.00 175.76 175.74 1r79 s LYS 40 N -1.91 0.67 0.79 0.00 2.47 -1.26 -1.34 119.74 119.17 1r79 s LYS 40 Ca 0.50 -0.14 -0.16 0.00 -1.56 0.00 0.00 55.97 54.62 1r79 s LYS 40 Cb -0.28 -1.50 -0.07 0.00 -1.46 0.00 0.00 37.83 34.52 1r79 s LYS 40 CO 0.35 -0.45 0.10 0.00 0.16 0.00 0.00 175.35 175.51 1r79 n THR 42 N -2.50 0.04 -0.03 0.00 5.66 -0.21 -3.11 114.28 114.14 1r79 n THR 42 Ca 0.06 -0.30 -0.17 0.00 -3.05 0.00 0.00 64.05 60.60 1r79 n THR 42 Cb 0.51 0.17 -0.14 0.00 -1.55 0.00 0.00 70.33 69.33 1r79 n THR 42 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1r79 h VAL 43 N 0.00 1.64 0.00 1.08 2.07 -1.92 -3.39 116.25 115.73 1r79 h VAL 43 Ca -0.02 -2.41 -0.23 0.00 0.82 0.00 0.00 66.70 64.87 1r79 h VAL 43 Cb 0.63 3.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 1r79 h VAL 43 CO 0.00 0.64 -2.05 0.00 0.02 0.00 0.00 177.57 176.17 1r79 n ASP 45 N -2.49 -2.34 -4.12 0.00 8.00 -1.18 -5.05 116.55 109.37 1r79 n ASP 45 Ca -0.21 -0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.04 1r79 n ASP 45 Cb 0.89 -1.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.22 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1r79 s LYS 46 N -4.06 0.70 0.13 -1.24 -0.14 -1.26 -4.86 119.74 109.02 1r79 s LYS 46 Ca 0.03 -1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 53.09 1r79 s LYS 46 Cb -0.00 0.01 -0.17 0.00 -1.68 0.00 0.00 37.83 35.98 1r79 s LYS 46 CO 0.18 -0.06 0.65 -2.37 -0.76 0.00 0.00 175.35 172.99 1r79 n THR 47 N 0.10 1.34 -3.96 2.17 5.66 -1.26 -1.42 114.28 116.91 1r79 n THR 47 Ca -0.14 -0.33 -0.08 0.00 -3.05 0.00 0.00 64.05 60.45 1r79 n THR 47 Cb 0.61 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.21 1.83 3.36 0.00 0.00 -1.26 -3.81 105.19 105.53 1r79 n GLY 49 Ca -0.16 -0.92 -0.46 0.00 0.00 0.00 0.00 46.02 44.48 1r79 n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r79 s SER 50 N 0.00 6.72 0.09 1.61 0.15 -1.26 -4.94 113.70 116.07 1r79 s SER 50 Ca 0.00 -2.50 -0.17 0.00 0.70 0.00 0.00 55.95 53.98 1r79 s SER 50 Cb 0.00 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1r79 s SER 50 CO 0.00 -0.71 0.97 0.52 1.20 0.00 0.00 173.24 175.22 1r79 n VAL 51 N 4.41 -0.38 -2.85 4.45 0.31 -1.26 -3.11 118.33 119.90 1r79 n VAL 51 Ca 0.16 1.52 -0.30 0.00 -0.01 0.00 0.00 64.34 65.71 1r79 n VAL 51 Cb 0.47 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 1r79 n VAL 51 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1r79 s LEU 52 N -8.91 3.83 -1.52 7.52 2.34 -1.26 -4.17 118.68 116.51 1r79 s LEU 52 Ca -0.07 1.14 -0.01 0.00 0.06 0.00 0.00 54.13 55.25 1r79 s LEU 52 Cb 0.06 -4.02 0.01 0.00 -0.56 0.00 0.00 46.19 41.68 1r79 s LEU 52 CO 0.34 -0.40 0.02 -2.11 -1.06 0.00 0.00 176.35 173.14 1r79 n ARG 53 N -1.31 -0.93 -1.00 1.48 1.85 -1.26 -4.64 116.66 110.85 1r79 n ARG 53 Ca 0.02 0.09 -0.39 0.00 -1.00 0.00 0.00 57.85 56.57 1r79 n ARG 53 Cb 0.54 -3.52 -0.05 0.00 -1.05 0.00 0.00 32.46 28.37 1r79 n ARG 53 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1r79 n LEU 54 N -4.47 0.06 0.00 2.89 -0.00 -1.18 -4.83 117.00 109.47 1r79 n LEU 54 Ca -0.30 0.76 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 1r79 n LEU 54 Cb 0.67 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1r79 n LEU 54 CO 0.83 -1.20 -0.13 0.00 -0.00 0.00 0.00 177.39 176.90 1r79 n GLN 55 N 1.12 0.00 -0.88 1.47 10.64 -1.26 -4.43 117.38 124.04 1r79 n GLN 55 Ca 0.14 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 55.03 1r79 n GLN 55 Cb 0.04 -0.45 0.01 0.00 -0.86 0.00 0.00 30.24 28.98 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 -2.05 -2.68 -4.36 2.61 8.00 -1.26 -2.81 116.55 113.99 1r79 n ASP 56 Ca 0.00 0.45 -0.30 0.00 0.71 0.00 0.00 54.79 55.66 1r79 n ASP 56 Cb 0.13 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 1r79 n ASP 56 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1r79 s TRP 57 N -1.42 2.31 -0.01 1.24 0.52 -1.01 0.22 118.94 120.78 1r79 s TRP 57 Ca 0.40 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 56.04 1r79 s TRP 57 Cb -0.35 -1.33 0.01 0.00 -1.15 0.00 0.00 33.47 30.65 1r79 s TRP 57 CO 0.48 0.21 0.18 -0.98 0.02 0.00 0.00 176.95 176.86 1r79 s ARG 58 N -1.58 0.48 0.35 4.98 1.70 -1.25 -0.34 118.95 123.29 1r79 s ARG 58 Ca 0.13 -0.27 -0.19 0.00 -0.47 0.00 0.00 55.73 54.93 1r79 s ARG 58 Cb -0.10 0.21 -0.10 0.00 -0.57 0.00 0.00 34.95 34.39 1r79 s ARG 58 CO 0.04 -0.11 0.83 0.00 -1.08 0.00 0.00 175.30 174.97 1r79 n LEU 60 N -0.22 0.66 -0.11 0.00 0.00 -1.11 -2.86 117.00 113.36 1r79 n LEU 60 Ca 0.04 -0.34 -0.22 0.00 0.00 0.00 0.00 56.01 55.49 1r79 n LEU 60 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.85 1r79 n LEU 60 CO 0.40 0.17 -0.78 0.79 0.00 0.00 0.00 177.39 177.97 1r79 n TRP 61 N -1.74 0.67 -0.47 1.96 8.01 -1.26 -4.43 117.44 120.18 1r79 n TRP 61 Ca 0.01 0.29 0.10 0.00 -1.31 0.00 0.00 57.50 56.59 1r79 n TRP 61 Cb 0.40 -1.01 0.31 0.00 -2.01 0.00 0.00 31.31 29.00 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 1.16 -0.66 -3.93 0.00 0.00 -1.14 -4.89 118.16 108.70 1r79 n LYS 63 Ca 0.23 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.19 1r79 n LYS 63 Cb 0.71 -2.28 -0.14 0.00 -0.00 0.00 0.00 35.03 33.31 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r79 s ALA 64 N -3.97 2.77 0.17 0.58 0.00 -1.24 -4.86 121.76 115.22 1r79 s ALA 64 Ca 0.20 -1.73 -0.26 0.00 0.00 0.00 0.00 51.96 50.17 1r79 s ALA 64 Cb -0.11 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.06 1r79 s ALA 64 CO 0.78 -1.22 0.79 -1.64 0.00 0.00 0.00 175.76 174.48 1r79 s MET 65 N 1.24 4.59 0.05 0.00 -1.94 -1.26 -1.56 119.30 120.42 1r79 s MET 65 Ca -0.05 1.19 -0.10 0.00 -1.71 0.00 0.00 55.69 55.02 1r79 s MET 65 Cb -0.19 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.38 1r79 s MET 65 CO -0.02 0.55 0.21 0.14 -0.01 0.00 0.00 175.02 175.90 1r79 s VAL 66 N -1.09 0.11 0.81 -6.03 -7.23 0.53 -1.04 120.40 106.47 1r79 s VAL 66 Ca 0.36 -0.91 -0.12 0.00 -1.81 0.00 0.00 61.98 59.50 1r79 s VAL 66 Cb -0.23 -1.01 0.08 0.00 0.56 0.00 0.00 36.38 35.78 1r79 s VAL 66 CO 0.27 -0.50 1.16 -1.00 -0.31 0.00 0.00 175.10 174.71 1r79 s HIS 67 N -2.85 2.93 0.28 2.82 3.76 -1.26 -2.41 115.29 118.56 1r79 s HIS 67 Ca -0.03 0.82 0.01 0.00 -0.15 0.00 0.00 55.06 55.71 1r79 s HIS 67 Cb 0.00 -3.41 0.41 0.00 1.11 0.00 0.00 32.58 30.70 1r79 s HIS 67 CO -0.05 -1.79 1.76 1.79 -0.85 0.00 0.00 174.74 175.60 1r79 h THR 68 N -1.07 1.24 0.00 1.30 1.35 -1.94 0.27 112.91 114.06 1r79 h THR 68 Ca -0.47 -1.08 -0.12 0.00 -0.55 0.00 0.00 66.41 64.20 1r79 h THR 68 Cb 1.32 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1r79 h THR 68 CO 0.65 0.36 -0.82 -1.28 -0.25 0.00 0.00 175.52 174.18 1r79 h SER 69 N 0.56 0.00 0.00 5.36 0.87 -2.02 -3.37 113.55 114.95 1r79 h SER 69 Ca 0.10 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1r79 h SER 69 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1r79 h SER 69 CO 0.03 0.48 -0.18 0.00 -0.53 0.00 0.00 176.83 176.63 1r79 n LYS 71 N -4.62 -0.17 -0.31 0.00 4.81 0.93 0.24 118.16 119.05 1r79 n LYS 71 Ca -0.11 0.95 0.26 0.00 -0.87 0.00 0.00 58.31 58.54 1r79 n LYS 71 Cb 0.42 -1.40 0.58 0.00 0.02 0.00 0.00 35.03 34.65 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 0.26 -0.36 1.64 4.11 -1.75 0.32 114.58 118.80 1r79 h GLU 72 Ca 0.06 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.32 1r79 h GLU 72 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1r79 h GLU 72 CO -0.36 0.17 -0.38 0.66 0.07 0.00 0.00 179.01 179.17 1r79 h SER 73 N 0.27 0.93 -1.40 3.06 4.64 0.30 -3.42 113.55 117.92 1r79 h SER 73 Ca 0.57 -0.42 -0.62 0.00 -0.47 0.00 0.00 61.79 60.85 1r79 h SER 73 Cb 1.70 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1r79 h SER 73 CO -0.20 1.20 1.47 -0.11 -0.87 0.00 0.00 176.83 178.32 1r79 n LEU 74 N -4.05 2.48 -0.02 5.97 7.94 0.11 -4.81 117.00 124.62 1r79 n LEU 74 Ca -0.02 0.26 -0.20 0.00 -1.11 0.00 0.00 56.01 54.94 1r79 n LEU 74 Cb 0.54 -1.38 -0.14 0.00 0.53 0.00 0.00 43.42 42.97 1r79 n LEU 74 CO 0.48 -0.78 -0.91 0.00 -1.11 0.00 0.00 177.39 175.07 1r79 n LEU 75 N 10.98 2.64 -4.53 -1.96 -0.00 -1.26 -4.94 117.00 117.93 1r79 n LEU 75 Ca 0.38 0.15 -0.53 0.00 -0.00 0.00 0.00 56.01 56.01 1r79 n LEU 75 Cb 0.32 -1.04 -0.06 0.00 -0.00 0.00 0.00 43.42 42.65 1r79 n LEU 75 CO 0.73 0.86 0.62 0.35 -0.00 0.00 0.00 177.39 179.95 1r79 n THR 76 N -3.43 0.55 -1.55 1.47 -2.24 -1.26 -4.94 114.28 102.88 1r79 n THR 76 Ca -0.34 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1r79 n THR 76 Cb 1.04 -0.47 0.17 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.15 0.46 0.37 -0.78 -0.14 -1.26 -5.01 119.74 113.23 1r79 s LYS 77 Ca 0.80 -0.01 0.03 0.00 -1.36 0.00 0.00 55.97 55.43 1r79 s LYS 77 Cb -1.02 -1.79 -0.01 0.00 -1.68 0.00 0.00 37.83 33.33 1r79 s LYS 77 CO 0.53 -2.60 0.55 0.00 -0.76 0.00 0.00 175.35 173.06 1r79 n SER 79 N -1.80 2.00 0.00 0.00 2.88 -1.26 -4.81 113.62 110.62 1r79 n SER 79 Ca -0.02 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1r79 n SER 79 Cb 0.57 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 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 1.89 3.26 0.00 0.46 0.00 -1.26 -4.81 105.19 104.73 1r79 n GLY 80 Ca -0.43 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 43.71 1r79 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r79 n PRO 81 N -1.36 0.49 -0.21 1.61 -0.04 -1.26 -4.06 135.00 130.17 1r79 n PRO 81 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1r79 n PRO 81 Cb 0.00 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 1r79 n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1r79 h SER 82 N 0.00 -1.72 -0.50 3.54 4.64 -1.87 -1.91 113.55 115.73 1r79 h SER 82 Ca 0.00 0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.61 1r79 h SER 82 Cb 0.00 0.73 -0.08 0.00 -0.31 0.00 0.00 62.40 62.73 1r79 h SER 82 CO 0.00 -0.30 -0.53 -1.28 -0.87 0.00 0.00 176.83 173.85 1r79 h SER 83 N -0.23 -1.81 -0.03 4.97 0.87 -1.86 -3.54 113.55 111.92 1r79 h SER 83 Ca 0.09 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1r79 h SER 83 Cb 0.46 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1r79 h SER 83 CO -0.62 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 175.94