#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 0.10 1.61 0.15 -1.26 -5.06 113.70 109.07 1r79 s SER 2 Ca 0.00 0.38 -0.33 0.00 0.70 0.00 0.00 55.95 56.71 1r79 s SER 2 Cb 0.00 0.29 -0.12 0.00 -1.71 0.00 0.00 66.02 64.48 1r79 s SER 2 CO 0.00 -0.14 1.58 0.28 1.20 0.00 0.00 173.24 176.16 1r79 h SER 3 N 7.00 -1.31 -4.26 5.45 0.02 -2.12 -3.48 113.55 114.85 1r79 h SER 3 Ca -0.39 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1r79 h SER 3 Cb 1.16 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1r79 h SER 3 CO 0.40 -0.54 -0.97 0.61 -1.14 0.00 0.00 176.83 175.20 1r79 n GLY 4 N -1.49 -5.04 3.46 -3.77 0.00 -1.26 -5.06 105.19 92.03 1r79 n GLY 4 Ca -0.09 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1r79 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 s SER 5 N -2.19 -0.68 -0.44 1.61 0.01 -1.26 -5.12 113.70 105.64 1r79 s SER 5 Ca 0.00 1.18 0.02 0.00 1.31 0.00 0.00 55.95 58.46 1r79 s SER 5 Cb 0.00 1.10 0.14 0.00 0.21 0.00 0.00 66.02 67.48 1r79 s SER 5 CO 0.00 -0.21 0.26 -0.55 0.41 0.00 0.00 173.24 173.15 1r79 s SER 6 N 1.05 3.38 0.00 2.44 0.15 -1.26 -5.04 113.70 114.42 1r79 s SER 6 Ca -0.06 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 53.91 1r79 s SER 6 Cb -0.06 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1r79 s SER 6 CO -0.10 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1r79 n GLY 7 N 3.45 0.68 3.34 9.45 0.00 -1.26 -5.01 105.19 115.85 1r79 n GLY 7 Ca 0.12 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.06 -0.02 2.61 -4.23 -1.26 -5.17 115.64 107.63 1r79 s THR 8 Ca 0.00 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1r79 s THR 8 Cb 0.00 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1r79 s THR 8 CO 0.00 -0.26 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.88 1r79 s THR 9 N -3.80 0.49 -0.10 3.99 2.01 -1.26 -5.14 115.64 111.83 1r79 s THR 9 Ca 0.03 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1r79 s THR 9 Cb 0.01 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.09 1r79 s THR 9 CO -0.11 0.17 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.67 1r79 s LEU 10 N 0.23 1.32 0.12 4.42 1.98 -1.26 -5.14 118.68 120.36 1r79 s LEU 10 Ca -0.03 -0.30 0.02 0.00 -2.89 0.00 0.00 54.13 50.94 1r79 s LEU 10 Cb -0.07 -0.83 -0.04 0.00 0.66 0.00 0.00 46.19 45.92 1r79 s LEU 10 CO -0.00 -0.07 0.21 0.00 -1.89 0.00 0.00 176.35 174.60 1r79 s ALA 11 N 1.39 3.85 0.10 5.97 0.00 -1.26 -5.12 121.76 126.69 1r79 s ALA 11 Ca -0.01 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1r79 s ALA 11 Cb -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1r79 s ALA 11 CO -0.05 0.63 -0.23 0.45 0.00 0.00 0.00 175.76 176.56 1r79 s SER 12 N -2.94 3.56 0.04 0.00 0.15 -1.26 -5.14 113.70 108.12 1r79 s SER 12 Ca 0.33 -0.62 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 1r79 s SER 12 Cb -0.11 -0.39 0.04 0.00 -1.71 0.00 0.00 66.02 63.84 1r79 s SER 12 CO 0.27 0.20 0.46 0.27 1.20 0.00 0.00 173.24 175.63 1r79 s ILE 13 N -1.03 0.04 -0.70 6.45 -5.25 -1.26 -5.12 121.20 114.33 1r79 s ILE 13 Ca 0.15 -0.37 -0.03 0.00 -0.99 0.00 0.00 60.65 59.42 1r79 s ILE 13 Cb -0.10 -0.96 0.18 0.00 2.95 0.00 0.00 42.46 44.53 1r79 s ILE 13 CO 0.07 -0.20 0.54 -0.83 -1.79 0.00 0.00 174.94 172.73 1r79 s GLY 14 N -1.98 2.67 0.38 6.27 0.00 -1.26 -4.86 107.32 108.53 1r79 s GLY 14 Ca -0.05 -3.43 0.23 0.00 0.00 0.00 0.00 44.72 41.46 1r79 s GLY 14 CO -0.02 1.13 1.47 0.07 0.00 0.00 0.00 173.10 175.75 1r79 h LYS 15 N 6.75 0.00 -6.31 2.90 5.09 -2.06 -3.46 116.57 119.48 1r79 h LYS 15 Ca 0.04 0.00 -0.65 0.00 0.09 0.00 0.00 60.65 60.13 1r79 h LYS 15 Cb 0.92 0.00 0.04 0.00 0.10 0.00 0.00 32.23 33.28 1r79 h LYS 15 CO 0.75 0.00 0.83 -0.25 -2.09 0.00 0.00 179.45 178.69 1r79 n ASP 16 N -2.98 2.73 -4.79 7.07 8.00 -1.26 -4.94 116.55 120.39 1r79 n ASP 16 Ca 0.03 1.06 -0.39 0.00 0.71 0.00 0.00 54.79 56.20 1r79 n ASP 16 Cb 0.53 -1.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.27 1r79 n ASP 16 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r79 s ILE 17 N 2.28 4.50 -0.14 0.53 1.01 -1.26 -4.98 121.20 123.14 1r79 s ILE 17 Ca 0.88 1.49 0.15 0.00 0.00 0.00 0.00 60.65 63.18 1r79 s ILE 17 Cb -0.82 -4.02 0.39 0.00 0.01 0.00 0.00 42.46 38.02 1r79 s ILE 17 CO 0.50 0.47 1.19 -0.38 0.00 0.00 0.00 174.94 176.71 1r79 n ILE 18 N 1.44 1.50 -4.28 2.92 5.41 -1.26 -5.03 119.36 120.06 1r79 n ILE 18 Ca -0.06 -2.43 -0.34 0.00 1.00 0.00 0.00 62.75 60.92 1r79 n ILE 18 Cb 0.50 0.12 -0.13 0.00 -0.71 0.00 0.00 39.64 39.42 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 -2.20 3.56 0.52 0.38 0.41 -1.26 -5.11 118.70 114.99 1r79 s GLU 19 Ca 0.35 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 54.30 1r79 s GLU 19 Cb 0.35 -2.93 -0.01 0.00 -1.78 0.00 0.00 34.13 29.76 1r79 s GLU 19 CO -0.09 0.09 0.81 -0.51 -0.49 0.00 0.00 175.26 175.07 1r79 s ASP 20 N 0.75 5.92 -0.39 -0.19 1.01 -1.26 -5.03 116.67 117.48 1r79 s ASP 20 Ca -0.02 0.73 0.06 0.00 0.71 0.00 0.00 52.55 54.03 1r79 s ASP 20 Cb -0.15 -1.91 0.43 0.00 1.01 0.00 0.00 42.92 42.31 1r79 s ASP 20 CO 0.02 -0.79 1.13 0.00 0.21 0.00 0.00 175.17 175.74 1r79 n ALA 21 N -2.35 4.99 0.10 5.23 0.00 -1.26 -4.48 120.51 122.74 1r79 n ALA 21 Ca 0.02 -4.13 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1r79 n ALA 21 Cb 0.57 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.54 0.42 -0.07 0.00 -0.08 -1.26 -4.98 116.55 110.05 1r79 n ASP 22 Ca 0.39 0.33 -0.10 0.00 -1.51 0.00 0.00 54.79 53.91 1r79 n ASP 22 Cb 0.75 0.07 -0.07 0.00 2.34 0.00 0.00 41.12 44.21 1r79 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r79 n GLY 23 N 2.44 -0.21 2.34 0.27 0.00 -1.26 -5.03 105.19 103.74 1r79 n GLY 23 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1r79 n GLY 23 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r79 n ILE 24 N -2.90 1.34 -2.30 -0.61 2.08 -1.26 -4.76 119.36 110.95 1r79 n ILE 24 Ca -0.25 -0.34 -0.43 0.00 0.56 0.00 0.00 62.75 62.28 1r79 n ILE 24 Cb 0.77 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.64 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r79 s ALA 25 N -0.71 3.27 -0.45 -1.39 0.00 -1.26 -4.97 121.76 116.24 1r79 s ALA 25 Ca 0.44 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1r79 s ALA 25 Cb -0.63 -3.83 0.12 0.00 0.00 0.00 0.00 23.12 18.77 1r79 s ALA 25 CO 0.39 -1.95 0.18 -1.64 0.00 0.00 0.00 175.76 172.74 1r79 s MET 26 N 4.50 1.81 0.73 0.00 -1.94 -1.26 -5.11 119.30 118.04 1r79 s MET 26 Ca 0.63 -2.31 -0.12 0.00 -1.71 0.00 0.00 55.69 52.18 1r79 s MET 26 Cb -0.19 -3.30 0.18 0.00 2.01 0.00 0.00 34.83 33.53 1r79 s MET 26 CO 0.27 -1.05 0.65 -0.35 -0.01 0.00 0.00 175.02 174.53 1r79 n PRO 27 N 3.61 -2.30 -3.29 2.03 -0.04 -1.26 -3.85 135.00 129.91 1r79 n PRO 27 Ca 0.05 -1.04 -0.38 0.00 -0.04 0.00 0.00 63.50 62.08 1r79 n PRO 27 Cb 0.36 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.79 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 -2.18 3.56 -0.91 0.54 3.76 -1.26 -4.72 115.29 114.08 1r79 s HIS 28 Ca 0.42 0.97 -0.24 0.00 -0.15 0.00 0.00 55.06 56.06 1r79 s HIS 28 Cb -0.04 -2.56 -0.00 0.00 1.11 0.00 0.00 32.58 31.08 1r79 s HIS 28 CO 0.32 0.23 1.71 -1.14 -0.85 0.00 0.00 174.74 175.01 1r79 s GLN 29 N 0.38 2.98 -0.33 1.40 2.00 -1.26 -4.95 119.66 119.89 1r79 s GLN 29 Ca 0.27 -0.51 -0.27 0.00 -2.00 0.00 0.00 55.36 52.86 1r79 s GLN 29 Cb -0.16 -5.05 0.01 0.00 0.80 0.00 0.00 33.01 28.61 1r79 s GLN 29 CO 0.12 -2.81 0.97 -1.58 -0.50 0.00 0.00 175.29 171.50 1r79 s TRP 30 N 7.83 3.15 -0.34 1.67 0.23 -1.26 -2.93 118.94 127.28 1r79 s TRP 30 Ca 0.59 1.01 -0.02 0.00 -2.03 0.00 0.00 56.10 55.65 1r79 s TRP 30 Cb -0.05 -3.57 0.07 0.00 0.03 0.00 0.00 33.47 29.96 1r79 s TRP 30 CO -0.01 -0.73 0.07 -0.51 0.96 0.00 0.00 176.95 176.73 1r79 s LEU 31 N 3.44 4.40 -0.34 2.99 1.43 -1.16 -4.94 118.68 124.50 1r79 s LEU 31 Ca 0.41 -1.58 -0.38 0.00 -1.03 0.00 0.00 54.13 51.55 1r79 s LEU 31 Cb -0.13 -1.75 -0.14 0.00 0.03 0.00 0.00 46.19 44.21 1r79 s LEU 31 CO 0.15 -0.36 2.03 1.21 0.23 0.00 0.00 176.35 179.62 1r79 n GLU 32 N 4.59 0.96 0.00 1.70 2.13 -1.26 -3.80 120.64 124.96 1r79 n GLU 32 Ca -0.08 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1r79 n GLU 32 Cb 0.43 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 5.90 -0.26 3.70 8.31 0.00 0.94 -4.82 105.19 118.97 1r79 n GLY 33 Ca 0.38 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 0.36 -3.04 -4.83 1.61 6.94 -1.26 -4.41 115.26 110.62 1r79 n ASN 34 Ca 0.00 -0.92 -0.36 0.00 -0.02 0.00 0.00 54.58 53.28 1r79 n ASN 34 Cb 0.00 -3.71 -0.07 0.00 -2.36 0.00 0.00 39.78 33.64 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 -6.54 4.29 0.44 -4.53 2.01 -1.26 -4.86 118.68 108.24 1r79 s LEU 35 Ca 0.22 0.39 -0.24 0.00 0.01 0.00 0.00 54.13 54.52 1r79 s LEU 35 Cb -0.07 -2.06 -0.08 0.00 0.01 0.00 0.00 46.19 44.00 1r79 s LEU 35 CO 0.84 0.36 1.17 -2.16 1.01 0.00 0.00 176.35 177.57 1r79 s PRO 36 N -0.71 3.84 0.05 1.29 0.04 -1.26 -4.92 135.00 133.34 1r79 s PRO 36 Ca 0.13 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 1r79 s PRO 36 Cb -0.12 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 1r79 s PRO 36 CO 0.03 -0.49 1.04 0.28 0.04 0.00 0.00 177.00 177.90 1r79 n VAL 37 N -0.31 -0.23 -0.96 -0.36 0.31 -1.26 0.51 118.33 116.02 1r79 n VAL 37 Ca 0.06 1.60 -0.13 0.00 -0.01 0.00 0.00 64.34 65.86 1r79 n VAL 37 Cb 0.47 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.29 1r79 n VAL 37 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1r79 n SER 38 N -3.72 5.78 -4.77 4.52 2.88 -1.26 -4.95 113.62 112.09 1r79 n SER 38 Ca 0.01 -2.74 -0.41 0.00 -1.33 0.00 0.00 58.87 54.40 1r79 n SER 38 Cb 0.09 -1.24 -0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r79 s ALA 39 N -0.40 3.51 -0.16 -1.46 0.00 0.18 -4.99 121.76 118.44 1r79 s ALA 39 Ca 0.42 1.47 -0.05 0.00 0.00 0.00 0.00 51.96 53.80 1r79 s ALA 39 Cb 0.24 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.87 1r79 s ALA 39 CO -0.05 -0.95 0.28 0.21 0.00 0.00 0.00 175.76 175.25 1r79 s LYS 40 N -2.06 0.19 0.98 0.00 2.47 -1.26 -2.40 119.74 117.66 1r79 s LYS 40 Ca 0.53 0.65 -0.15 0.00 -1.56 0.00 0.00 55.97 55.44 1r79 s LYS 40 Cb -0.44 -0.26 -0.02 0.00 -1.46 0.00 0.00 37.83 35.65 1r79 s LYS 40 CO 0.59 -0.39 -0.07 0.00 0.16 0.00 0.00 175.35 175.65 1r79 n THR 42 N -3.35 0.19 0.12 0.00 5.66 0.51 -3.26 114.28 114.14 1r79 n THR 42 Ca 0.03 -0.21 -0.24 0.00 -3.05 0.00 0.00 64.05 60.59 1r79 n THR 42 Cb 0.56 -0.15 -0.15 0.00 -1.55 0.00 0.00 70.33 69.04 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 1.33 0.00 1.08 2.07 -1.93 -3.38 116.25 115.43 1r79 h VAL 43 Ca -0.07 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1r79 h VAL 43 Cb 0.77 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1r79 h VAL 43 CO 0.00 0.78 -1.38 0.00 0.02 0.00 0.00 177.57 176.99 1r79 n ASP 45 N -1.80 -2.58 -4.16 0.00 8.00 -1.20 -5.03 116.55 109.79 1r79 n ASP 45 Ca -0.02 -0.52 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 1r79 n ASP 45 Cb 0.23 -4.43 -0.15 0.00 -0.02 0.00 0.00 41.12 36.75 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 -5.30 1.46 -0.28 -1.24 1.02 -1.26 -4.85 119.74 109.30 1r79 s LYS 46 Ca 0.07 -0.62 -0.32 0.00 0.02 0.00 0.00 55.97 55.13 1r79 s LYS 46 Cb -0.03 -1.39 -0.14 0.00 -0.52 0.00 0.00 37.83 35.75 1r79 s LYS 46 CO 0.62 0.35 1.04 0.25 -0.92 0.00 0.00 175.35 176.70 1r79 n THR 47 N 2.73 0.00 -4.23 2.17 -2.24 -1.26 -2.76 114.28 108.69 1r79 n THR 47 Ca -0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1r79 n THR 47 Cb 0.54 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.20 1.20 3.81 0.00 0.00 -1.26 -3.99 105.19 104.75 1r79 n GLY 49 Ca -0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 4.78 0.00 1.61 0.15 -1.26 -5.01 113.70 113.97 1r79 s SER 50 Ca 0.00 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1r79 s SER 50 Cb 0.00 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1r79 s SER 50 CO 0.00 -1.79 0.00 0.52 1.20 0.00 0.00 173.24 173.17 1r79 n VAL 51 N -3.33 0.00 -0.32 4.45 0.31 -1.26 -4.69 118.33 113.50 1r79 n VAL 51 Ca 0.07 0.05 0.09 0.00 -0.01 0.00 0.00 64.34 64.54 1r79 n VAL 51 Cb 0.55 -0.83 0.19 0.00 -0.91 0.00 0.00 33.84 32.84 1r79 n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r79 n LEU 52 N -1.67 -0.22 -3.87 7.52 -0.00 -1.26 -4.08 117.00 113.41 1r79 n LEU 52 Ca 0.00 1.52 -0.23 0.00 -0.00 0.00 0.00 56.01 57.30 1r79 n LEU 52 Cb 0.00 -0.50 -0.17 0.00 -0.00 0.00 0.00 43.42 42.75 1r79 n LEU 52 CO 0.00 -1.50 -0.42 0.00 -0.00 0.00 0.00 177.39 175.48 1r79 s ARG 53 N -6.00 1.07 -0.16 1.47 1.70 -1.26 -5.11 118.95 110.65 1r79 s ARG 53 Ca -0.13 -0.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.73 1r79 s ARG 53 Cb 0.25 -1.17 -0.01 0.00 -0.57 0.00 0.00 34.95 33.45 1r79 s ARG 53 CO 0.69 -0.20 1.24 -0.48 -1.08 0.00 0.00 175.30 175.48 1r79 s LEU 54 N 1.46 4.19 0.12 -1.89 2.34 -1.26 -4.61 118.68 119.04 1r79 s LEU 54 Ca -0.02 1.68 0.00 0.00 0.06 0.00 0.00 54.13 55.85 1r79 s LEU 54 Cb -0.13 -3.54 0.00 0.00 -0.56 0.00 0.00 46.19 41.96 1r79 s LEU 54 CO -0.04 -0.73 0.00 0.00 -1.06 0.00 0.00 176.35 174.52 1r79 n GLN 55 N 6.43 0.00 -0.58 1.48 6.02 -1.26 -4.47 117.38 124.99 1r79 n GLN 55 Ca 0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.93 1r79 n GLN 55 Cb 0.45 -0.06 -0.01 0.00 1.02 0.00 0.00 30.24 31.64 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 -2.99 -0.66 -4.76 1.08 9.92 -1.26 -2.35 116.55 115.53 1r79 n ASP 56 Ca 0.00 0.45 -0.32 0.00 -0.53 0.00 0.00 54.79 54.39 1r79 n ASP 56 Cb 0.00 -0.39 -0.07 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.48 3.21 -0.07 1.24 0.52 -1.06 -0.04 118.94 122.26 1r79 s TRP 57 Ca 0.27 0.14 -0.09 0.00 0.02 0.00 0.00 56.10 56.43 1r79 s TRP 57 Cb -0.37 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1r79 s TRP 57 CO 0.24 0.52 0.24 -0.98 0.02 0.00 0.00 176.95 177.00 1r79 s ARG 58 N -1.91 0.37 0.45 4.98 1.70 -1.25 -0.66 118.95 122.63 1r79 s ARG 58 Ca 0.24 0.18 -0.23 0.00 -0.47 0.00 0.00 55.73 55.45 1r79 s ARG 58 Cb -0.12 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.36 1r79 s ARG 58 CO 0.16 -0.07 1.15 0.00 -1.08 0.00 0.00 175.30 175.46 1r79 n LEU 60 N -0.40 3.11 0.00 0.00 7.94 -1.15 -3.50 117.00 123.01 1r79 n LEU 60 Ca 0.07 -1.17 -0.00 0.00 -1.11 0.00 0.00 56.01 53.80 1r79 n LEU 60 Cb 0.48 -0.10 -0.00 0.00 0.53 0.00 0.00 43.42 44.33 1r79 n LEU 60 CO 0.47 0.58 -0.01 0.79 -1.11 0.00 0.00 177.39 178.12 1r79 n TRP 61 N 1.36 0.00 0.57 1.96 8.01 -1.26 -4.76 117.44 123.31 1r79 n TRP 61 Ca 0.16 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.48 1r79 n TRP 61 Cb 0.59 -0.01 0.44 0.00 -2.01 0.00 0.00 31.31 30.33 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 -2.20 -3.62 -3.90 0.00 4.76 -1.23 -5.01 118.16 106.96 1r79 n LYS 63 Ca 0.04 0.69 -0.35 0.00 -2.87 0.00 0.00 58.31 55.83 1r79 n LYS 63 Cb 0.36 -5.12 -0.14 0.00 -1.84 0.00 0.00 35.03 28.30 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 -3.30 2.84 0.13 7.82 0.00 -1.26 -4.84 121.76 123.15 1r79 s ALA 64 Ca 0.18 -1.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.05 1r79 s ALA 64 Cb -0.02 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 1r79 s ALA 64 CO 0.59 -1.32 0.79 -1.64 0.00 0.00 0.00 175.76 174.18 1r79 s MET 65 N 1.24 4.56 0.01 0.00 -1.94 -1.26 -1.85 119.30 120.06 1r79 s MET 65 Ca -0.04 1.16 -0.11 0.00 -1.71 0.00 0.00 55.69 54.99 1r79 s MET 65 Cb -0.20 -3.30 0.01 0.00 2.01 0.00 0.00 34.83 33.35 1r79 s MET 65 CO -0.01 0.46 0.22 0.14 -0.01 0.00 0.00 175.02 175.83 1r79 s VAL 66 N -0.76 0.08 0.30 -6.03 -7.23 0.16 -0.36 120.40 106.56 1r79 s VAL 66 Ca 0.37 -0.66 -0.27 0.00 -1.81 0.00 0.00 61.98 59.61 1r79 s VAL 66 Cb -0.22 -0.65 -0.10 0.00 0.56 0.00 0.00 36.38 35.97 1r79 s VAL 66 CO 0.26 -0.37 0.93 -1.00 -0.31 0.00 0.00 175.10 174.61 1r79 s HIS 67 N -1.74 3.75 0.24 2.82 3.76 -1.26 -2.55 115.29 120.30 1r79 s HIS 67 Ca -0.11 1.79 0.01 0.00 -0.15 0.00 0.00 55.06 56.60 1r79 s HIS 67 Cb -0.05 -2.92 0.58 0.00 1.11 0.00 0.00 32.58 31.30 1r79 s HIS 67 CO 0.01 0.27 1.21 0.25 -0.85 0.00 0.00 174.74 175.62 1r79 n THR 68 N 0.75 -0.32 -0.00 1.30 -2.24 -1.26 0.33 114.28 112.84 1r79 n THR 68 Ca 0.01 1.70 -0.13 0.00 -2.27 0.00 0.00 64.05 63.36 1r79 n THR 68 Cb 0.50 -2.47 -0.10 0.00 -2.10 0.00 0.00 70.33 66.15 1r79 n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1r79 h SER 69 N 0.00 -0.06 -0.42 3.42 0.02 -2.03 -3.31 113.55 111.18 1r79 h SER 69 Ca 0.46 -0.55 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1r79 h SER 69 Cb 0.94 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1r79 h SER 69 CO -0.73 0.55 -0.14 0.00 -1.14 0.00 0.00 176.83 175.37 1r79 n LYS 71 N -5.35 -0.06 -0.21 0.00 4.81 0.13 0.21 118.16 117.69 1r79 n LYS 71 Ca 0.03 1.13 0.01 0.00 -0.87 0.00 0.00 58.31 58.61 1r79 n LYS 71 Cb 0.26 -1.73 0.12 0.00 0.02 0.00 0.00 35.03 33.69 1r79 n LYS 71 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1r79 h GLU 72 N 0.00 0.34 -0.25 1.64 4.39 -1.44 -1.84 114.58 117.42 1r79 h GLU 72 Ca 0.39 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.08 1r79 h GLU 72 Cb 0.69 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1r79 h GLU 72 CO -0.73 0.23 0.15 1.03 -1.16 0.00 0.00 179.01 178.53 1r79 h SER 73 N 0.35 0.26 -1.62 1.42 0.87 0.23 -3.42 113.55 111.64 1r79 h SER 73 Ca 0.32 -0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 60.17 1r79 h SER 73 Cb 0.44 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1r79 h SER 73 CO -0.35 0.19 0.68 -0.11 -0.53 0.00 0.00 176.83 176.70 1r79 n LEU 74 N -4.93 2.03 -0.00 2.23 7.94 -0.69 -4.84 117.00 118.73 1r79 n LEU 74 Ca -0.02 1.10 -0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1r79 n LEU 74 Cb 0.04 -1.17 -0.00 0.00 0.53 0.00 0.00 43.42 42.82 1r79 n LEU 74 CO 0.33 -0.73 -0.51 0.00 -1.11 0.00 0.00 177.39 175.37 1r79 n LEU 75 N 3.97 2.64 -3.99 -1.96 -0.00 -1.26 -4.99 117.00 111.41 1r79 n LEU 75 Ca 0.22 -0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.87 1r79 n LEU 75 Cb 0.16 -0.01 0.02 0.00 -0.00 0.00 0.00 43.42 43.60 1r79 n LEU 75 CO 0.72 0.44 -0.94 0.35 -0.00 0.00 0.00 177.39 177.96 1r79 n THR 76 N -2.45 0.00 -2.54 1.47 -2.24 -1.26 -4.96 114.28 102.31 1r79 n THR 76 Ca -0.00 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.07 1r79 n THR 76 Cb 0.50 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.43 2.34 0.34 -0.78 1.02 -1.26 -4.98 119.74 114.99 1r79 s LYS 77 Ca 0.47 -0.72 0.07 0.00 0.02 0.00 0.00 55.97 55.81 1r79 s LYS 77 Cb -0.33 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1r79 s LYS 77 CO 0.72 -0.94 0.42 0.00 -0.92 0.00 0.00 175.35 174.63 1r79 n SER 79 N -1.57 1.94 0.00 0.00 7.64 -1.26 -4.94 113.62 115.43 1r79 n SER 79 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1r79 n SER 79 Cb 0.59 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 1.51 3.18 3.75 0.23 0.00 -1.26 -5.10 105.19 107.50 1r79 n GLY 80 Ca -0.43 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.73 1.85 0.01 1.61 0.04 -1.26 -4.64 135.00 129.87 1r79 s PRO 81 Ca 0.00 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 1r79 s PRO 81 Cb 0.00 -1.86 -0.18 0.00 0.04 0.00 0.00 34.50 32.50 1r79 s PRO 81 CO 0.00 -1.89 1.31 0.77 0.04 0.00 0.00 177.00 177.24 1r79 h SER 82 N -1.30 -0.17 -2.68 6.66 0.02 -1.94 -3.38 113.55 110.76 1r79 h SER 82 Ca -0.46 -0.27 -0.66 0.00 -0.84 0.00 0.00 61.79 59.57 1r79 h SER 82 Cb 1.25 0.04 -0.16 0.00 0.14 0.00 0.00 62.40 63.67 1r79 h SER 82 CO 0.53 0.19 0.49 -0.55 -1.14 0.00 0.00 176.83 176.35 1r79 s SER 83 N -5.32 6.26 0.00 3.07 0.15 -1.26 -5.30 113.70 111.30 1r79 s SER 83 Ca -0.15 -1.30 0.25 0.00 0.70 0.00 0.00 55.95 55.45 1r79 s SER 83 Cb 0.02 -2.39 0.40 0.00 -1.71 0.00 0.00 66.02 62.35 1r79 s SER 83 CO 0.61 -1.29 1.38 0.61 1.20 0.00 0.00 173.24 175.75