#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 -0.30 0.14 1.61 0.15 -1.26 -5.19 113.70 108.85 1r79 s SER 2 Ca 0.00 0.57 -0.24 0.00 0.70 0.00 0.00 55.95 56.97 1r79 s SER 2 Cb 0.00 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 64.95 1r79 s SER 2 CO 0.00 -0.12 1.06 -0.94 1.20 0.00 0.00 173.24 174.44 1r79 s SER 3 N 0.03 -0.06 0.65 5.45 1.04 -1.26 -5.17 113.70 114.38 1r79 s SER 3 Ca 0.04 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1r79 s SER 3 Cb -0.05 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1r79 s SER 3 CO -0.09 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1r79 n GLY 4 N -0.62 -3.15 0.00 7.32 0.00 -1.26 -4.88 105.19 102.60 1r79 n GLY 4 Ca -0.04 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.06 1r79 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r79 n SER 5 N -1.95 0.27 -3.58 1.61 3.41 -1.26 -4.89 113.62 107.23 1r79 n SER 5 Ca 0.00 0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1r79 n SER 5 Cb 0.00 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 1r79 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1r79 s SER 6 N -3.03 -0.43 0.00 4.04 0.01 -1.26 -5.17 113.70 107.85 1r79 s SER 6 Ca 0.12 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1r79 s SER 6 Cb 0.18 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1r79 s SER 6 CO 0.62 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1r79 n GLY 7 N 1.13 4.26 3.11 3.44 0.00 -1.26 -5.14 105.19 110.73 1r79 n GLY 7 Ca -0.12 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1r79 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r79 n THR 8 N -1.04 0.00 -0.20 2.61 -2.24 -1.26 -4.81 114.28 107.34 1r79 n THR 8 Ca 0.00 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1r79 n THR 8 Cb 0.00 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 1r79 n THR 8 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1r79 h THR 9 N -1.39 0.09 -6.34 4.28 2.02 -2.07 -3.44 112.91 106.06 1r79 h THR 9 Ca -0.45 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.28 1r79 h THR 9 Cb 1.37 0.09 -0.21 0.00 -1.74 0.00 0.00 68.15 67.67 1r79 h THR 9 CO 0.28 0.00 -0.69 -0.11 0.37 0.00 0.00 175.52 175.37 1r79 n LEU 10 N -5.41 -0.66 -4.92 2.58 0.00 -1.26 -4.88 117.00 102.46 1r79 n LEU 10 Ca 0.02 -0.93 -0.32 0.00 0.00 0.00 0.00 56.01 54.78 1r79 n LEU 10 Cb 0.35 -1.17 -0.04 0.00 0.00 0.00 0.00 43.42 42.56 1r79 n LEU 10 CO -0.01 0.23 -0.14 0.00 0.00 0.00 0.00 177.39 177.47 1r79 s ALA 11 N -3.44 3.99 0.10 1.96 0.00 -1.26 -5.12 121.76 117.99 1r79 s ALA 11 Ca 0.26 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1r79 s ALA 11 Cb -0.15 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1r79 s ALA 11 CO 0.74 0.80 -0.14 0.45 0.00 0.00 0.00 175.76 177.61 1r79 s SER 12 N -2.37 1.90 0.36 0.00 0.15 -1.26 -5.16 113.70 107.33 1r79 s SER 12 Ca 0.33 -0.73 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 1r79 s SER 12 Cb -0.13 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1r79 s SER 12 CO 0.26 -0.11 0.56 0.27 1.20 0.00 0.00 173.24 175.41 1r79 s ILE 13 N -1.77 0.00 0.00 6.45 -0.00 -1.26 -5.18 121.20 119.44 1r79 s ILE 13 Ca 0.05 -1.46 0.00 0.00 -0.00 0.00 0.00 60.65 59.24 1r79 s ILE 13 Cb -0.07 -2.72 0.00 0.00 -0.00 0.00 0.00 42.46 39.67 1r79 s ILE 13 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.58 1r79 n GLY 14 N -0.57 -0.61 3.36 6.27 0.00 -1.26 -5.18 105.19 107.20 1r79 n GLY 14 Ca -0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1r79 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r79 s LYS 15 N -2.00 1.28 -0.12 1.61 -0.14 -1.26 -5.16 119.74 113.95 1r79 s LYS 15 Ca 0.00 -1.37 0.03 0.00 -1.36 0.00 0.00 55.97 53.27 1r79 s LYS 15 Cb 0.00 0.36 -0.00 0.00 -1.68 0.00 0.00 37.83 36.51 1r79 s LYS 15 CO 0.00 -0.47 -0.20 0.16 -0.76 0.00 0.00 175.35 174.08 1r79 s ASP 16 N -3.05 3.36 -0.41 2.83 -4.77 -1.26 -5.05 116.67 108.32 1r79 s ASP 16 Ca 0.26 -0.50 -0.37 0.00 -3.30 0.00 0.00 52.55 48.64 1r79 s ASP 16 Cb 0.04 -1.47 -0.16 0.00 -1.09 0.00 0.00 42.92 40.23 1r79 s ASP 16 CO 0.07 0.15 1.52 -0.38 0.70 0.00 0.00 175.17 177.22 1r79 n ILE 17 N 3.63 0.00 -1.72 2.11 5.41 -1.26 -4.77 119.36 122.76 1r79 n ILE 17 Ca -0.19 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.13 1r79 n ILE 17 Cb 0.53 -0.41 -0.02 0.00 -0.71 0.00 0.00 39.64 39.03 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 4.24 0.82 -4.03 1.39 -0.00 -1.26 -4.99 119.36 115.54 1r79 n ILE 18 Ca 0.35 -0.21 -0.12 0.00 -0.00 0.00 0.00 62.75 62.78 1r79 n ILE 18 Cb -0.04 -1.83 -0.04 0.00 -0.00 0.00 0.00 39.64 37.73 1r79 n ILE 18 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1r79 s GLU 19 N -0.19 1.75 1.19 6.28 0.41 -1.26 -5.16 118.70 121.71 1r79 s GLU 19 Ca 0.67 -1.50 -0.17 0.00 -0.41 0.00 0.00 54.97 53.56 1r79 s GLU 19 Cb -0.54 0.46 0.23 0.00 -1.78 0.00 0.00 34.13 32.50 1r79 s GLU 19 CO 0.46 -0.73 0.52 -0.25 -0.49 0.00 0.00 175.26 174.77 1r79 n ASP 20 N -0.91 -2.54 -0.10 -0.19 9.92 -1.26 -4.98 116.55 116.50 1r79 n ASP 20 Ca -0.01 -0.30 -0.21 0.00 -0.53 0.00 0.00 54.79 53.75 1r79 n ASP 20 Cb 0.62 -1.04 -0.12 0.00 -0.64 0.00 0.00 41.12 39.93 1r79 n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r79 n ALA 21 N -4.87 1.24 -0.06 2.24 0.00 -1.26 -4.81 120.51 112.99 1r79 n ALA 21 Ca 0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 1r79 n ALA 21 Cb 0.56 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1r79 n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r79 n ASP 22 N -3.50 1.21 -3.95 0.00 8.00 -1.26 -5.04 116.55 112.02 1r79 n ASP 22 Ca -0.43 0.20 -0.19 0.00 0.71 0.00 0.00 54.79 55.08 1r79 n ASP 22 Cb 0.98 -0.47 -0.16 0.00 -0.02 0.00 0.00 41.12 41.45 1r79 n ASP 22 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1r79 s GLY 23 N -4.98 0.45 0.17 0.44 0.00 -1.26 -5.12 107.32 97.01 1r79 s GLY 23 Ca -0.19 -0.19 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 1r79 s GLY 23 CO 0.25 0.12 1.45 -0.42 0.00 0.00 0.00 173.10 174.50 1r79 s ILE 24 N 0.45 2.91 -0.40 0.90 -1.09 -1.26 -4.64 121.20 118.07 1r79 s ILE 24 Ca -0.06 0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 58.88 1r79 s ILE 24 Cb -0.10 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1r79 s ILE 24 CO 0.00 0.07 0.42 0.00 -1.23 0.00 0.00 174.94 174.21 1r79 s ALA 25 N 0.74 3.45 -0.52 9.38 0.00 -1.26 -5.03 121.76 128.50 1r79 s ALA 25 Ca 0.64 -1.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1r79 s ALA 25 Cb -0.40 -3.00 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1r79 s ALA 25 CO 0.35 -1.45 0.54 -1.64 0.00 0.00 0.00 175.76 173.56 1r79 s MET 26 N 2.11 3.03 0.00 0.00 -1.94 -1.26 -5.06 119.30 116.18 1r79 s MET 26 Ca 0.12 -1.34 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 1r79 s MET 26 Cb -0.17 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.47 1r79 s MET 26 CO 0.13 -1.26 0.00 -0.35 -0.01 0.00 0.00 175.02 173.53 1r79 n PRO 27 N 5.68 -0.99 -3.68 2.03 -0.04 -1.26 -3.32 135.00 133.42 1r79 n PRO 27 Ca -0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 1r79 n PRO 27 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.99 3.26 -0.97 0.54 3.76 -1.26 -4.58 115.29 115.05 1r79 s HIS 28 Ca 0.00 0.12 -0.24 0.00 -0.15 0.00 0.00 55.06 54.80 1r79 s HIS 28 Cb 0.00 -2.28 0.02 0.00 1.11 0.00 0.00 32.58 31.44 1r79 s HIS 28 CO 0.00 -0.03 1.57 -1.14 -0.85 0.00 0.00 174.74 174.29 1r79 s GLN 29 N 1.24 3.31 0.14 1.40 2.00 -1.26 -4.97 119.66 121.52 1r79 s GLN 29 Ca 0.07 -0.86 -0.30 0.00 -2.00 0.00 0.00 55.36 52.27 1r79 s GLN 29 Cb -0.14 -5.23 -0.07 0.00 0.80 0.00 0.00 33.01 28.37 1r79 s GLN 29 CO 0.06 -2.50 1.16 -1.58 -0.50 0.00 0.00 175.29 171.93 1r79 s TRP 30 N 6.30 3.49 -0.31 1.67 0.23 -1.26 -1.58 118.94 127.49 1r79 s TRP 30 Ca 0.52 1.46 0.02 0.00 -2.03 0.00 0.00 56.10 56.07 1r79 s TRP 30 Cb -0.02 -3.37 0.09 0.00 0.03 0.00 0.00 33.47 30.20 1r79 s TRP 30 CO -0.06 -0.99 0.03 -1.17 0.96 0.00 0.00 176.95 175.71 1r79 s LEU 31 N 0.11 3.69 0.12 2.99 2.96 0.63 -4.90 118.68 124.28 1r79 s LEU 31 Ca 0.53 -1.80 -0.21 0.00 -0.22 0.00 0.00 54.13 52.43 1r79 s LEU 31 Cb -0.30 -1.37 -0.12 0.00 0.50 0.00 0.00 46.19 44.89 1r79 s LEU 31 CO 0.34 -0.34 0.43 1.21 -1.32 0.00 0.00 176.35 176.66 1r79 n GLU 32 N 4.48 0.00 0.00 1.98 2.13 -1.26 -3.37 120.64 124.59 1r79 n GLU 32 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1r79 n GLU 32 Cb 0.42 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 31.37 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 1.36 1.04 2.66 8.31 0.00 0.21 -4.86 105.19 113.91 1r79 n GLY 33 Ca 0.13 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1r79 n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r79 n ASN 34 N -3.20 -4.59 -4.85 1.61 2.85 -1.26 -4.40 115.26 101.42 1r79 n ASN 34 Ca 0.00 -0.25 -0.36 0.00 -0.11 0.00 0.00 54.58 53.86 1r79 n ASN 34 Cb 0.00 -3.34 -0.06 0.00 1.24 0.00 0.00 39.78 37.62 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1r79 s LEU 35 N -4.65 4.38 1.13 1.20 2.01 -1.26 -4.93 118.68 116.56 1r79 s LEU 35 Ca 0.27 1.00 -0.17 0.00 0.01 0.00 0.00 54.13 55.24 1r79 s LEU 35 Cb -0.12 -3.03 0.25 0.00 0.01 0.00 0.00 46.19 43.30 1r79 s LEU 35 CO 0.33 0.18 1.10 -2.16 1.01 0.00 0.00 176.35 176.81 1r79 s PRO 36 N -1.71 -0.65 0.03 1.29 0.04 -1.26 -4.95 135.00 127.80 1r79 s PRO 36 Ca 0.33 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 61.23 1r79 s PRO 36 Cb -0.15 -1.64 -0.17 0.00 0.04 0.00 0.00 34.50 32.57 1r79 s PRO 36 CO 0.18 -3.37 1.37 0.28 0.04 0.00 0.00 177.00 175.50 1r79 h VAL 37 N -2.34 0.45 -0.69 -0.36 2.07 -1.98 -3.09 116.25 110.31 1r79 h VAL 37 Ca -0.49 -0.30 -0.46 0.00 0.82 0.00 0.00 66.70 66.27 1r79 h VAL 37 Cb 1.31 0.57 -0.20 0.00 -1.52 0.00 0.00 31.29 31.45 1r79 h VAL 37 CO 0.43 0.05 0.59 -1.54 0.02 0.00 0.00 177.57 177.12 1r79 n SER 38 N -5.31 6.59 -4.75 0.57 3.41 -1.26 -4.93 113.62 107.95 1r79 n SER 38 Ca -0.11 -3.33 -0.41 0.00 -0.26 0.00 0.00 58.87 54.75 1r79 n SER 38 Cb 0.31 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r79 s ALA 39 N -2.60 3.70 0.16 7.33 0.00 -1.17 -4.92 121.76 124.27 1r79 s ALA 39 Ca 0.44 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.93 1r79 s ALA 39 Cb 0.35 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1r79 s ALA 39 CO 0.00 -0.88 -0.13 0.21 0.00 0.00 0.00 175.76 174.97 1r79 s LYS 40 N -0.35 1.16 0.14 0.00 2.47 -1.26 -0.03 119.74 121.87 1r79 s LYS 40 Ca 0.62 -1.46 -0.25 0.00 -1.56 0.00 0.00 55.97 53.32 1r79 s LYS 40 Cb -0.45 -0.90 -0.07 0.00 -1.46 0.00 0.00 37.83 34.94 1r79 s LYS 40 CO 0.45 0.15 0.78 0.00 0.16 0.00 0.00 175.35 176.89 1r79 n THR 42 N 1.85 0.96 -0.05 0.00 5.66 -0.33 -2.25 114.28 120.12 1r79 n THR 42 Ca -0.05 -0.97 -0.09 0.00 -3.05 0.00 0.00 64.05 59.90 1r79 n THR 42 Cb 0.49 0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 69.72 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 1.63 0.62 0.01 1.08 0.31 -1.26 -4.80 118.33 115.92 1r79 n VAL 43 Ca 0.24 -0.21 0.02 0.00 -0.01 0.00 0.00 64.34 64.38 1r79 n VAL 43 Cb 0.61 -1.09 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 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 -1.58 -2.63 -4.36 0.00 8.00 -0.95 -5.03 116.55 109.99 1r79 n ASP 45 Ca -0.01 -0.14 -0.28 0.00 0.71 0.00 0.00 54.79 55.07 1r79 n ASP 45 Cb 0.09 -1.64 -0.13 0.00 -0.02 0.00 0.00 41.12 39.42 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 -4.90 1.44 0.28 -1.24 1.02 -1.26 -4.81 119.74 110.27 1r79 s LYS 46 Ca 0.08 -1.27 -0.18 0.00 0.02 0.00 0.00 55.97 54.62 1r79 s LYS 46 Cb -0.04 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 35.31 1r79 s LYS 46 CO 0.18 0.44 0.16 -2.37 -0.92 0.00 0.00 175.35 172.84 1r79 n THR 47 N 1.12 0.79 -3.87 2.17 5.66 -1.26 -1.43 114.28 117.45 1r79 n THR 47 Ca -0.18 -0.40 -0.11 0.00 -3.05 0.00 0.00 64.05 60.31 1r79 n THR 47 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 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 1.45 2.44 3.45 0.00 0.00 -1.26 -3.66 105.19 107.61 1r79 n GLY 49 Ca -0.23 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 1r79 n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 s SER 50 N 0.00 7.09 0.14 1.61 0.01 -1.26 -4.89 113.70 116.40 1r79 s SER 50 Ca 0.00 -3.03 -0.28 0.00 1.31 0.00 0.00 55.95 53.95 1r79 s SER 50 Cb 0.00 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 1r79 s SER 50 CO 0.00 -0.70 1.45 0.52 0.41 0.00 0.00 173.24 174.92 1r79 n VAL 51 N 4.42 -0.61 -3.05 3.43 0.31 -1.26 -2.52 118.33 119.06 1r79 n VAL 51 Ca 0.35 2.28 -0.40 0.00 -0.01 0.00 0.00 64.34 66.55 1r79 n VAL 51 Cb 0.43 -2.82 -0.05 0.00 -0.91 0.00 0.00 33.84 30.48 1r79 n VAL 51 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1r79 s LEU 52 N -10.06 4.22 -1.07 7.52 1.43 -1.26 -4.12 118.68 115.33 1r79 s LEU 52 Ca -0.11 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1r79 s LEU 52 Cb 0.10 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1r79 s LEU 52 CO 0.55 -0.23 0.91 -1.14 0.23 0.00 0.00 176.35 176.68 1r79 n ARG 53 N 4.54 -4.49 -1.16 1.70 0.63 -1.26 -4.79 116.66 111.82 1r79 n ARG 53 Ca -0.00 0.81 -0.45 0.00 -0.92 0.00 0.00 57.85 57.29 1r79 n ARG 53 Cb 0.50 -5.65 -0.06 0.00 0.45 0.00 0.00 32.46 27.70 1r79 n ARG 53 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1r79 n LEU 54 N -3.61 0.38 0.00 6.15 4.32 -1.05 -4.82 117.00 118.37 1r79 n LEU 54 Ca -0.18 0.85 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1r79 n LEU 54 Cb 0.64 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1r79 n LEU 54 CO 0.57 -1.04 -0.24 0.00 -1.22 0.00 0.00 177.39 175.47 1r79 n GLN 55 N 1.88 0.00 -0.90 3.23 10.64 -1.26 -4.28 117.38 126.69 1r79 n GLN 55 Ca 0.18 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 55.06 1r79 n GLN 55 Cb 0.01 -0.65 0.01 0.00 -0.86 0.00 0.00 30.24 28.76 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 -2.11 -3.23 -4.21 2.61 8.00 -1.26 -3.34 116.55 113.01 1r79 n ASP 56 Ca 0.00 0.40 -0.33 0.00 0.71 0.00 0.00 54.79 55.58 1r79 n ASP 56 Cb 0.24 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.55 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 -1.51 2.71 0.09 1.24 0.52 -1.21 0.68 118.94 121.47 1r79 s TRP 57 Ca 0.40 -1.22 0.10 0.00 0.02 0.00 0.00 56.10 55.40 1r79 s TRP 57 Cb -0.32 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.13 1r79 s TRP 57 CO 0.53 -0.56 -0.27 -0.98 0.02 0.00 0.00 176.95 175.70 1r79 s ARG 58 N 0.81 1.58 0.44 4.98 1.70 -1.22 -2.00 118.95 125.24 1r79 s ARG 58 Ca -0.06 -1.25 -0.21 0.00 -0.47 0.00 0.00 55.73 53.74 1r79 s ARG 58 Cb -0.15 -1.94 -0.11 0.00 -0.57 0.00 0.00 34.95 32.18 1r79 s ARG 58 CO -0.01 0.48 0.96 0.00 -1.08 0.00 0.00 175.30 175.65 1r79 n LEU 60 N -0.66 0.58 0.00 0.00 -0.00 -0.61 -3.32 117.00 112.98 1r79 n LEU 60 Ca 0.07 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 1r79 n LEU 60 Cb 0.54 0.20 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 1r79 n LEU 60 CO 0.37 0.29 0.00 0.79 -0.00 0.00 0.00 177.39 178.85 1r79 n TRP 61 N -2.85 0.00 0.31 1.96 8.01 -1.26 -4.44 117.44 119.17 1r79 n TRP 61 Ca -0.17 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.14 1r79 n TRP 61 Cb 0.96 -0.14 0.55 0.00 -2.01 0.00 0.00 31.31 30.68 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 -2.31 -3.32 -3.55 0.00 4.76 -1.21 -4.97 118.16 107.57 1r79 n LYS 63 Ca 0.01 0.96 -0.37 0.00 -2.87 0.00 0.00 58.31 56.04 1r79 n LYS 63 Cb 0.17 -5.73 -0.06 0.00 -1.84 0.00 0.00 35.03 27.56 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r79 s ALA 64 N -3.12 3.65 0.08 7.82 0.00 -1.26 -4.69 121.76 124.25 1r79 s ALA 64 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1r79 s ALA 64 Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1r79 s ALA 64 CO 0.19 0.27 0.03 -1.64 0.00 0.00 0.00 175.76 174.60 1r79 s MET 65 N -0.17 2.67 0.21 0.00 -1.94 -1.26 0.19 119.30 119.00 1r79 s MET 65 Ca 0.20 -0.78 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 1r79 s MET 65 Cb -0.14 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.10 1r79 s MET 65 CO 0.07 0.55 0.47 0.14 -0.01 0.00 0.00 175.02 176.24 1r79 s VAL 66 N -1.33 0.03 0.24 -6.03 -7.23 -0.84 -1.19 120.40 104.04 1r79 s VAL 66 Ca 0.27 -1.13 -0.19 0.00 -1.81 0.00 0.00 61.98 59.11 1r79 s VAL 66 Cb -0.12 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 1r79 s VAL 66 CO 0.19 -0.11 0.73 -1.00 -0.31 0.00 0.00 175.10 174.60 1r79 s HIS 67 N -3.94 3.61 0.47 2.82 3.76 -1.26 -3.31 115.29 117.44 1r79 s HIS 67 Ca 0.15 1.38 0.37 0.00 -0.15 0.00 0.00 55.06 56.81 1r79 s HIS 67 Cb -0.00 -2.62 1.56 0.00 1.11 0.00 0.00 32.58 32.63 1r79 s HIS 67 CO 0.02 0.30 1.58 1.79 -0.85 0.00 0.00 174.74 177.58 1r79 h THR 68 N 2.63 0.00 0.00 1.30 1.35 -1.94 0.46 112.91 116.71 1r79 h THR 68 Ca -0.48 -0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1r79 h THR 68 Cb 1.19 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1r79 h THR 68 CO 0.65 0.00 -0.82 -1.28 -0.25 0.00 0.00 175.52 173.82 1r79 h SER 69 N 0.00 0.00 -0.86 5.36 0.87 -2.03 -3.36 113.55 113.53 1r79 h SER 69 Ca 0.90 -0.47 0.24 0.00 -1.23 0.00 0.00 61.79 61.23 1r79 h SER 69 Cb 3.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 65.00 1r79 h SER 69 CO -0.37 1.21 0.61 0.00 -0.53 0.00 0.00 176.83 177.75 1r79 n LYS 71 N -4.32 -0.39 -0.29 0.00 4.81 0.14 0.29 118.16 118.39 1r79 n LYS 71 Ca 0.18 1.40 -0.02 0.00 -0.87 0.00 0.00 58.31 59.00 1r79 n LYS 71 Cb 0.89 -2.06 0.11 0.00 0.02 0.00 0.00 35.03 33.98 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 0.96 -0.36 1.64 4.11 -1.70 -0.95 114.58 118.29 1r79 h GLU 72 Ca 0.14 -0.06 0.10 0.00 0.07 0.00 0.00 59.36 59.62 1r79 h GLU 72 Cb 0.36 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1r79 h GLU 72 CO -0.83 0.63 0.34 1.03 0.07 0.00 0.00 179.01 180.26 1r79 h SER 73 N 0.99 0.00 -2.96 3.06 0.87 -0.23 -3.40 113.55 111.87 1r79 h SER 73 Ca 0.33 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.35 1r79 h SER 73 Cb 0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1r79 h SER 73 CO -0.13 0.00 0.78 -0.22 -0.53 0.00 0.00 176.83 176.73 1r79 s LEU 74 N -7.82 4.32 -0.14 2.23 2.96 -0.23 -4.91 118.68 115.09 1r79 s LEU 74 Ca -0.05 2.10 -0.07 0.00 -0.22 0.00 0.00 54.13 55.89 1r79 s LEU 74 Cb 0.16 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1r79 s LEU 74 CO 0.59 -0.67 -0.18 0.18 -1.32 0.00 0.00 176.35 174.95 1r79 n LEU 75 N 5.05 1.12 -3.08 -0.68 4.77 -1.26 -5.02 117.00 117.90 1r79 n LEU 75 Ca 0.12 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 1r79 n LEU 75 Cb 0.44 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1r79 n LEU 75 CO 0.58 0.32 0.32 0.35 -1.33 0.00 0.00 177.39 177.63 1r79 n THR 76 N -3.61 0.26 -2.52 -5.08 -2.24 -1.26 -4.89 114.28 94.95 1r79 n THR 76 Ca -0.28 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 1r79 n THR 76 Cb 0.70 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1r79 n THR 76 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1r79 s LYS 77 N -0.13 3.87 0.59 -0.78 0.00 -1.26 -5.03 119.74 117.00 1r79 s LYS 77 Ca 0.59 0.77 -0.09 0.00 0.00 0.00 0.00 55.97 57.24 1r79 s LYS 77 Cb -0.83 -2.22 -0.03 0.00 0.00 0.00 0.00 37.83 34.75 1r79 s LYS 77 CO 0.39 -0.21 0.97 0.00 0.00 0.00 0.00 175.35 176.50 1r79 n SER 79 N -2.64 1.95 0.00 0.00 7.64 -1.26 -4.69 113.62 114.61 1r79 n SER 79 Ca 0.05 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1r79 n SER 79 Cb 0.55 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.58 2.87 0.00 0.23 0.00 -1.26 -4.82 105.19 103.79 1r79 n GLY 80 Ca -0.40 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.50 0.49 -0.28 1.61 -0.04 -1.26 -3.79 135.00 130.22 1r79 n PRO 81 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1r79 n PRO 81 Cb 0.00 -1.49 0.14 0.00 -0.04 0.00 0.00 33.50 32.11 1r79 n PRO 81 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1r79 h SER 82 N 0.00 -0.55 -3.03 3.54 0.87 -1.95 -3.40 113.55 109.03 1r79 h SER 82 Ca 0.00 0.23 -0.62 0.00 -1.23 0.00 0.00 61.79 60.17 1r79 h SER 82 Cb 0.00 0.43 -0.08 0.00 -0.44 0.00 0.00 62.40 62.31 1r79 h SER 82 CO 0.00 -0.24 -0.59 -0.55 -0.53 0.00 0.00 176.83 174.92 1r79 s SER 83 N -5.20 5.50 0.00 6.23 0.15 -1.25 -5.24 113.70 113.90 1r79 s SER 83 Ca -0.14 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1r79 s SER 83 Cb 0.23 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1r79 s SER 83 CO 0.76 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.95