#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlg s SER 2 N 0.00 1.52 0.75 1.61 1.04 -1.26 -5.03 113.70 112.33 2dlg s SER 2 Ca 0.00 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 54.97 2dlg s SER 2 Cb 0.00 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 2dlg s SER 2 CO 0.00 -0.63 0.39 -1.20 0.98 0.00 0.00 173.24 172.79 2dlg n SER 3 N -0.44 -1.74 0.00 7.02 7.64 -1.26 -4.51 113.62 120.33 2dlg n SER 3 Ca -0.03 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2dlg n SER 3 Cb 0.65 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2dlg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlg n GLY 4 N 1.80 0.37 3.63 0.23 0.00 -1.26 -5.01 105.19 104.95 2dlg n GLY 4 Ca 0.09 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 2dlg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 5 N 0.00 0.01 -1.01 1.61 0.01 -1.26 -4.74 113.70 108.32 2dlg s SER 5 Ca 0.00 -0.97 -0.13 0.00 1.31 0.00 0.00 55.95 56.16 2dlg s SER 5 Cb 0.00 0.64 0.21 0.00 0.21 0.00 0.00 66.02 67.08 2dlg s SER 5 CO 0.00 -1.23 1.08 -0.44 0.41 0.00 0.00 173.24 173.06 2dlg s SER 6 N -3.03 6.98 0.00 2.44 0.01 -1.26 -4.88 113.70 113.95 2dlg s SER 6 Ca 0.21 -2.91 0.00 0.00 1.31 0.00 0.00 55.95 54.56 2dlg s SER 6 Cb -0.02 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2dlg s SER 6 CO 0.10 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2dlg n GLY 7 N 3.90 -0.09 3.51 3.44 0.00 -1.26 -4.73 105.19 109.96 2dlg n GLY 7 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2dlg n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dlg n ARG 8 N 0.00 -4.74 -4.53 1.61 3.00 -1.26 -4.97 116.66 105.77 2dlg n ARG 8 Ca 0.00 0.64 -0.21 0.00 -0.01 0.00 0.00 57.85 58.26 2dlg n ARG 8 Cb 0.00 -5.47 -0.15 0.00 0.00 0.00 0.00 32.46 26.85 2dlg n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dlg s ALA 9 N -3.14 1.09 -1.74 7.54 0.00 -1.26 -5.01 121.76 119.23 2dlg s ALA 9 Ca 0.49 -0.61 0.15 0.00 0.00 0.00 0.00 51.96 51.99 2dlg s ALA 9 Cb -0.24 -0.25 0.85 0.00 0.00 0.00 0.00 23.12 23.47 2dlg s ALA 9 CO 0.60 0.25 1.37 -0.35 0.00 0.00 0.00 175.76 177.64 2dlg n PRO 10 N 2.58 0.36 -3.69 0.00 -0.04 -1.26 -4.59 135.00 128.36 2dlg n PRO 10 Ca -0.15 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 2dlg n PRO 10 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2dlg n PRO 10 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dlg s SER 11 N -2.26 -0.48 0.16 3.54 1.04 -1.26 -5.03 113.70 109.41 2dlg s SER 11 Ca 0.19 0.93 0.15 0.00 0.48 0.00 0.00 55.95 57.70 2dlg s SER 11 Cb 0.10 0.89 -0.06 0.00 0.10 0.00 0.00 66.02 67.06 2dlg s SER 11 CO 0.20 -0.20 1.15 -0.37 0.98 0.00 0.00 173.24 174.99 2dlg h VAL 12 N 5.64 0.82 -1.83 5.02 -1.51 -1.89 -3.48 116.25 119.03 2dlg h VAL 12 Ca -0.33 -2.30 0.21 0.00 -1.23 0.00 0.00 66.70 63.05 2dlg h VAL 12 Cb 1.17 2.32 -0.15 0.00 -2.13 0.00 0.00 31.29 32.50 2dlg h VAL 12 CO 0.26 0.47 0.68 0.00 -1.23 0.00 0.00 177.57 177.74 2dlg s ALA 13 N -2.90 -1.97 0.02 5.19 0.00 -1.26 -4.88 121.76 115.96 2dlg s ALA 13 Ca 0.01 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.12 2dlg s ALA 13 Cb 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2dlg s ALA 13 CO 0.78 -0.74 -0.11 0.99 0.00 0.00 0.00 175.76 176.68 2dlg s THR 14 N -2.74 0.85 0.12 0.00 2.01 -1.26 -3.71 115.64 110.90 2dlg s THR 14 Ca 0.09 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 2dlg s THR 14 Cb -0.00 -0.77 -0.07 0.00 0.01 0.00 0.00 72.50 71.67 2dlg s THR 14 CO -0.05 0.01 1.17 0.54 -0.69 0.00 0.00 174.62 175.60 2dlg s VAL 15 N -0.69 3.91 0.00 3.82 0.11 -1.23 -3.48 120.40 122.84 2dlg s VAL 15 Ca 0.00 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.54 2dlg s VAL 15 Cb -0.06 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.84 2dlg s VAL 15 CO 0.00 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 2dlg n GLY 16 N 2.69 1.38 3.80 6.54 0.00 -1.26 -4.42 105.19 113.91 2dlg n GLY 16 Ca 0.06 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2dlg n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 17 N 0.00 7.20 0.26 1.61 0.01 -1.23 -4.85 113.70 116.71 2dlg s SER 17 Ca 0.00 1.70 -0.31 0.00 1.31 0.00 0.00 55.95 58.65 2dlg s SER 17 Cb 0.00 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 2dlg s SER 17 CO 0.00 -0.08 1.59 -0.38 0.41 0.00 0.00 173.24 174.77 2dlg n ILE 18 N 0.42 0.78 -3.34 1.44 2.08 -1.26 -4.46 119.36 115.01 2dlg n ILE 18 Ca 0.02 -0.20 -0.41 0.00 0.56 0.00 0.00 62.75 62.72 2dlg n ILE 18 Cb 0.51 -1.87 -0.09 0.00 -0.75 0.00 0.00 39.64 37.44 2dlg n ILE 18 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dlg s ASP 20 N 1.73 6.69 -0.09 0.00 1.11 -1.25 -3.39 116.67 121.46 2dlg s ASP 20 Ca 0.15 0.82 -0.01 0.00 0.18 0.00 0.00 52.55 53.68 2dlg s ASP 20 Cb -0.16 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 2dlg s ASP 20 CO 0.12 0.10 -0.02 -0.22 1.18 0.00 0.00 175.17 176.32 2dlg s LEU 21 N 0.16 3.41 -0.48 1.23 2.96 -0.89 -4.91 118.68 120.16 2dlg s LEU 21 Ca 0.24 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 54.09 2dlg s LEU 21 Cb -0.15 -1.78 0.11 0.00 0.50 0.00 0.00 46.19 44.87 2dlg s LEU 21 CO 0.10 0.34 0.38 0.20 -1.32 0.00 0.00 176.35 176.05 2dlg s ASN 22 N -0.64 5.87 -0.06 3.68 0.01 -1.26 -3.63 114.94 118.92 2dlg s ASN 22 Ca 0.10 -1.77 0.01 0.00 -0.71 0.00 0.00 52.86 50.50 2dlg s ASN 22 Cb -0.12 -2.08 0.02 0.00 0.41 0.00 0.00 41.25 39.48 2dlg s ASN 22 CO 0.02 -0.72 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.06 2dlg s LEU 23 N 1.46 1.41 -0.38 0.60 1.43 -1.01 -4.49 118.68 117.69 2dlg s LEU 23 Ca 0.04 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2dlg s LEU 23 Cb -0.27 -0.60 0.11 0.00 0.03 0.00 0.00 46.19 45.46 2dlg s LEU 23 CO 0.01 -0.03 0.13 -1.59 0.23 0.00 0.00 176.35 175.10 2dlg s LYS 24 N 0.91 1.34 -0.37 1.70 -2.85 -1.26 -0.22 119.74 118.98 2dlg s LYS 24 Ca -0.11 -1.83 0.01 0.00 -1.00 0.00 0.00 55.97 53.04 2dlg s LYS 24 Cb -0.15 -2.77 0.12 0.00 -2.06 0.00 0.00 37.83 32.98 2dlg s LYS 24 CO 0.01 -1.02 0.18 0.42 0.10 0.00 0.00 175.35 175.04 2dlg s ILE 25 N 0.78 0.97 0.02 3.79 1.01 -1.07 -4.99 121.20 121.71 2dlg s ILE 25 Ca 0.13 -1.95 -0.22 0.00 0.00 0.00 0.00 60.65 58.61 2dlg s ILE 25 Cb -0.21 -1.70 -0.16 0.00 0.01 0.00 0.00 42.46 40.40 2dlg s ILE 25 CO -0.10 -0.83 1.32 1.55 0.00 0.00 0.00 174.94 176.89 2dlg h PRO 26 N 7.32 0.26 -1.72 2.79 0.13 -1.93 -3.14 132.00 135.70 2dlg h PRO 26 Ca -0.05 -0.14 0.52 0.00 -0.87 0.00 0.00 66.00 65.47 2dlg h PRO 26 Cb 0.97 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.01 2dlg h PRO 26 CO 0.44 0.67 1.20 0.93 -0.23 0.00 0.00 178.00 181.01 2dlg h GLU 27 N -0.14 0.01 -5.99 0.86 5.08 -1.95 -3.39 114.58 109.07 2dlg h GLU 27 Ca 0.02 -0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.79 2dlg h GLU 27 Cb 0.62 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 2dlg h GLU 27 CO 0.03 0.01 -0.60 0.42 -1.00 0.00 0.00 179.01 177.87 2dlg s ILE 28 N -5.01 2.58 0.46 3.13 1.01 -1.19 -5.15 121.20 117.03 2dlg s ILE 28 Ca -0.06 -1.92 0.07 0.00 0.00 0.00 0.00 60.65 58.74 2dlg s ILE 28 Cb 0.28 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 2dlg s ILE 28 CO 0.87 -0.16 0.37 0.20 0.00 0.00 0.00 174.94 176.22 2dlg s ASN 29 N -3.75 4.84 0.00 3.58 -0.87 -1.26 -4.87 114.94 112.61 2dlg s ASN 29 Ca 0.36 -0.94 0.26 0.00 -1.57 0.00 0.00 52.86 50.96 2dlg s ASN 29 Cb 0.01 -0.23 0.69 0.00 -0.02 0.00 0.00 41.25 41.69 2dlg s ASN 29 CO 0.20 -0.80 1.54 -1.54 -2.57 0.00 0.00 177.10 173.93 2dlg n SER 30 N -1.59 0.49 0.04 -1.22 3.41 -1.26 -3.62 113.62 109.87 2dlg n SER 30 Ca 0.02 -0.24 -0.05 0.00 -0.26 0.00 0.00 58.87 58.34 2dlg n SER 30 Cb 0.63 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.59 2dlg n SER 30 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dlg h SER 31 N 0.19 0.00 -0.32 4.04 0.02 -1.97 -3.28 113.55 112.23 2dlg h SER 31 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dlg h SER 31 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2dlg h SER 31 CO 0.00 0.85 0.00 -0.67 -1.14 0.00 0.00 176.83 175.87 2dlg n ASP 32 N -3.16 2.85 -4.78 3.07 -0.08 -1.25 -4.92 116.55 108.29 2dlg n ASP 32 Ca -0.07 -1.91 -0.27 0.00 -1.51 0.00 0.00 54.79 51.04 2dlg n ASP 32 Cb 0.93 -0.20 -0.06 0.00 2.34 0.00 0.00 41.12 44.12 2dlg n ASP 32 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2dlg s MET 33 N -1.59 2.84 -0.20 -0.67 -1.94 -1.24 -4.15 119.30 112.35 2dlg s MET 33 Ca 0.36 -0.87 -0.08 0.00 -1.71 0.00 0.00 55.69 53.39 2dlg s MET 33 Cb 0.21 -2.62 0.08 0.00 2.01 0.00 0.00 34.83 34.51 2dlg s MET 33 CO 0.30 0.49 0.44 -1.12 -0.01 0.00 0.00 175.02 175.12 2dlg s SER 34 N -2.99 -0.39 0.00 3.03 0.01 -1.25 -4.98 113.70 107.14 2dlg s SER 34 Ca 0.30 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2dlg s SER 34 Cb -0.10 1.24 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 2dlg s SER 34 CO 0.23 -0.22 0.07 0.00 0.41 0.00 0.00 173.24 173.73 2dlg s ALA 35 N 2.27 3.55 -0.09 1.44 0.00 -1.26 -3.64 121.76 124.04 2dlg s ALA 35 Ca -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2dlg s ALA 35 Cb -0.11 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2dlg s ALA 35 CO -0.13 0.69 0.03 -1.01 0.00 0.00 0.00 175.76 175.34 2dlg s HIS 36 N -1.20 0.52 -0.67 0.00 3.76 -1.17 -0.44 115.29 116.09 2dlg s HIS 36 Ca 0.23 -0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.76 2dlg s HIS 36 Cb -0.12 -0.74 0.06 0.00 1.11 0.00 0.00 32.58 32.89 2dlg s HIS 36 CO 0.14 -0.34 1.02 0.08 -0.85 0.00 0.00 174.74 174.80 2dlg s VAL 37 N 2.02 4.21 -0.06 -0.90 1.01 -0.84 -2.93 120.40 122.91 2dlg s VAL 37 Ca 0.04 -0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 2dlg s VAL 37 Cb -0.13 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.49 2dlg s VAL 37 CO -0.05 -1.51 0.59 -0.89 0.00 0.00 0.00 175.10 173.24 2dlg s THR 38 N 4.37 5.05 0.37 3.92 2.01 -1.05 -1.96 115.64 128.35 2dlg s THR 38 Ca 0.25 1.21 -0.01 0.00 0.31 0.00 0.00 61.69 63.45 2dlg s THR 38 Cb -0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2dlg s THR 38 CO 0.12 0.34 0.59 -0.44 -0.69 0.00 0.00 174.62 174.54 2dlg s SER 39 N 0.38 6.30 0.07 3.53 0.01 0.12 -1.91 113.70 122.20 2dlg s SER 39 Ca 0.31 0.56 0.17 0.00 1.31 0.00 0.00 55.95 58.30 2dlg s SER 39 Cb -0.17 -2.08 0.71 0.00 0.21 0.00 0.00 66.02 64.69 2dlg s SER 39 CO 0.15 -0.34 1.53 -0.81 0.41 0.00 0.00 173.24 174.18 2dlg n PRO 40 N -1.81 0.05 0.11 12.44 -0.04 -1.23 -2.13 135.00 142.40 2dlg n PRO 40 Ca -0.04 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 2dlg n PRO 40 Cb 0.56 -1.60 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 2dlg n PRO 40 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dlg h SER 41 N 0.00 0.00 0.00 3.54 4.64 -1.93 -3.47 113.55 116.32 2dlg h SER 41 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2dlg h SER 41 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2dlg h SER 41 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 2dlg n GLY 42 N 1.22 1.42 3.33 -0.77 0.00 -0.91 -5.10 105.19 104.38 2dlg n GLY 42 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2dlg n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dlg s ARG 43 N -0.22 3.40 0.13 1.61 3.52 -1.25 -4.91 118.95 121.22 2dlg s ARG 43 Ca 0.00 -0.62 0.10 0.00 -0.13 0.00 0.00 55.73 55.08 2dlg s ARG 43 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2dlg s ARG 43 CO 0.00 -0.13 -0.22 0.54 -0.81 0.00 0.00 175.30 174.68 2dlg s VAL 44 N 1.31 2.58 0.34 7.11 0.11 -1.26 0.16 120.40 130.74 2dlg s VAL 44 Ca 0.04 -1.64 0.04 0.00 -2.93 0.00 0.00 61.98 57.49 2dlg s VAL 44 Cb -0.14 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 2dlg s VAL 44 CO -0.02 0.08 0.16 0.35 -3.33 0.00 0.00 175.10 172.33 2dlg n THR 45 N 0.80 0.00 -4.07 5.04 -2.24 -0.83 -4.96 114.28 108.03 2dlg n THR 45 Ca -0.16 -2.09 -0.35 0.00 -2.27 0.00 0.00 64.05 59.18 2dlg n THR 45 Cb 0.53 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.48 2dlg n THR 45 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2dlg s GLU 46 N -3.32 3.85 0.27 -0.78 2.12 -1.26 -1.99 118.70 117.60 2dlg s GLU 46 Ca 0.22 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.23 2dlg s GLU 46 Cb 0.01 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 2dlg s GLU 46 CO 0.16 0.33 0.42 0.00 -0.54 0.00 0.00 175.26 175.62 2dlg s ALA 47 N 0.21 3.89 -0.03 6.30 0.00 0.42 -4.89 121.76 127.65 2dlg s ALA 47 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2dlg s ALA 47 Cb -0.12 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2dlg s ALA 47 CO 0.01 0.15 -0.01 -2.00 0.00 0.00 0.00 175.76 173.91 2dlg s GLU 48 N -4.08 2.84 -0.46 0.00 2.56 -1.26 -4.39 118.70 113.91 2dlg s GLU 48 Ca 0.36 -0.54 -0.09 0.00 0.00 0.00 0.00 54.97 54.70 2dlg s GLU 48 Cb -0.09 -2.70 0.11 0.00 2.00 0.00 0.00 34.13 33.45 2dlg s GLU 48 CO 0.31 0.65 0.33 0.42 -0.56 0.00 0.00 175.26 176.41 2dlg s ILE 49 N -1.00 4.22 0.21 -3.70 1.01 -1.26 -3.03 121.20 117.65 2dlg s ILE 49 Ca 0.17 -1.69 -0.30 0.00 0.00 0.00 0.00 60.65 58.83 2dlg s ILE 49 Cb -0.11 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 2dlg s ILE 49 CO 0.07 -0.71 1.18 -0.69 0.00 0.00 0.00 174.94 174.79 2dlg s VAL 50 N 1.38 3.54 -0.99 2.92 1.01 -0.47 -4.85 120.40 122.93 2dlg s VAL 50 Ca 0.05 1.34 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 2dlg s VAL 50 Cb -0.25 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2dlg s VAL 50 CO -0.00 0.24 1.95 -2.16 0.00 0.00 0.00 175.10 175.12 2dlg s PRO 51 N -0.50 2.53 0.09 2.72 0.04 -1.26 -2.94 135.00 135.67 2dlg s PRO 51 Ca 0.51 -0.57 -0.27 0.00 0.04 0.00 0.00 61.00 60.72 2dlg s PRO 51 Cb -0.33 -5.12 -0.16 0.00 0.04 0.00 0.00 34.50 28.94 2dlg s PRO 51 CO 0.38 -3.58 1.69 0.52 0.04 0.00 0.00 177.00 176.05 2dlg h MET 52 N 10.80 -0.37 0.00 4.56 2.86 -1.87 -3.49 114.93 127.41 2dlg h MET 52 Ca 0.13 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2dlg h MET 52 Cb 0.98 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2dlg h MET 52 CO 1.21 -0.25 0.00 0.41 1.06 0.00 0.00 176.91 179.35 2dlg n GLY 53 N -1.26 -0.09 3.53 8.32 0.00 -1.24 -4.95 105.19 109.49 2dlg n GLY 53 Ca -0.09 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2dlg n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dlg n LYS 54 N 0.00 0.37 -3.95 1.61 4.81 -1.26 -2.90 118.16 116.83 2dlg n LYS 54 Ca 0.00 -0.45 -0.30 0.00 -0.87 0.00 0.00 58.31 56.68 2dlg n LYS 54 Cb 0.00 -2.62 -0.07 0.00 0.02 0.00 0.00 35.03 32.36 2dlg n LYS 54 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2dlg n ASN 55 N 13.45 -0.52 -4.42 3.14 0.23 -1.26 -4.89 115.26 121.00 2dlg n ASN 55 Ca 0.55 -1.01 -0.32 0.00 -0.53 0.00 0.00 54.58 53.26 2dlg n ASN 55 Cb 0.32 -1.28 -0.14 0.00 -2.08 0.00 0.00 39.78 36.59 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2dlg s SER 56 N -3.36 3.69 -0.04 0.53 0.01 -1.14 -2.61 113.70 110.78 2dlg s SER 56 Ca 0.39 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.39 2dlg s SER 56 Cb -0.23 -0.67 -0.00 0.00 0.21 0.00 0.00 66.02 65.33 2dlg s SER 56 CO 0.82 0.33 -0.17 -1.00 0.41 0.00 0.00 173.24 173.63 2dlg s HIS 57 N -0.70 1.69 -0.17 2.43 3.76 0.69 -2.76 115.29 120.23 2dlg s HIS 57 Ca 0.11 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2dlg s HIS 57 Cb -0.10 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.49 2dlg s HIS 57 CO 0.00 -0.14 -0.06 0.00 -0.85 0.00 0.00 174.74 173.69 2dlg s VAL 59 N 1.60 5.09 -0.15 0.00 1.01 -1.24 -1.37 120.40 125.35 2dlg s VAL 59 Ca 0.01 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.21 2dlg s VAL 59 Cb -0.15 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2dlg s VAL 59 CO -0.08 0.24 -0.21 -0.13 0.00 0.00 0.00 175.10 174.93 2dlg s ARG 60 N 1.02 2.93 0.08 2.72 0.52 -1.17 -2.09 118.95 122.96 2dlg s ARG 60 Ca 0.31 -0.82 -0.22 0.00 -0.52 0.00 0.00 55.73 54.49 2dlg s ARG 60 Cb -0.16 -2.42 0.05 0.00 0.52 0.00 0.00 34.95 32.94 2dlg s ARG 60 CO 0.13 -0.08 0.53 -0.59 0.02 0.00 0.00 175.30 175.31 2dlg s PHE 61 N 0.98 -0.43 -0.50 -0.53 -0.12 -1.22 -4.15 117.98 112.01 2dlg s PHE 61 Ca -0.03 0.37 -0.16 0.00 -0.05 0.00 0.00 56.93 57.06 2dlg s PHE 61 Cb -0.15 0.39 0.09 0.00 -0.63 0.00 0.00 43.02 42.72 2dlg s PHE 61 CO -0.05 -0.70 0.45 0.08 -0.05 0.00 0.00 175.22 174.95 2dlg s VAL 62 N -2.94 5.20 0.38 -2.49 1.01 -1.26 -0.68 120.40 119.62 2dlg s VAL 62 Ca -0.03 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.70 2dlg s VAL 62 Cb -0.00 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.25 2dlg s VAL 62 CO -0.06 -0.71 0.34 -0.81 0.00 0.00 0.00 175.10 173.86 2dlg n PRO 63 N 5.30 -1.68 -4.26 2.72 -0.04 -1.26 -4.95 135.00 130.83 2dlg n PRO 63 Ca -0.13 -0.54 -0.27 0.00 -0.04 0.00 0.00 63.50 62.53 2dlg n PRO 63 Cb 0.42 -0.51 -0.07 0.00 -0.04 0.00 0.00 33.50 33.31 2dlg n PRO 63 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dlg s GLN 64 N -3.76 2.19 -0.11 0.54 -1.52 -1.26 -4.10 119.66 111.64 2dlg s GLN 64 Ca 0.22 -2.01 -0.17 0.00 -1.95 0.00 0.00 55.36 51.45 2dlg s GLN 64 Cb -0.02 -1.88 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 2dlg s GLN 64 CO 0.17 -0.24 0.42 -1.83 -0.25 0.00 0.00 175.29 173.56 2dlg s GLU 65 N -3.94 4.25 -1.22 2.91 -1.05 -1.26 -4.29 118.70 114.10 2dlg s GLU 65 Ca 0.33 0.36 -0.02 0.00 -0.15 0.00 0.00 54.97 55.48 2dlg s GLU 65 Cb 0.03 -3.40 -0.01 0.00 -0.44 0.00 0.00 34.13 30.31 2dlg s GLU 65 CO 0.18 0.27 0.85 -1.33 0.95 0.00 0.00 175.26 176.18 2dlg n MET 66 N 3.33 -4.84 -3.70 -4.83 2.81 -1.26 -5.01 117.12 103.62 2dlg n MET 66 Ca -0.09 0.73 -0.12 0.00 -1.81 0.00 0.00 57.70 56.41 2dlg n MET 66 Cb 0.52 -5.45 -0.10 0.00 -0.71 0.00 0.00 33.22 27.48 2dlg n MET 66 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dlg s GLY 67 N -4.15 -0.37 -0.27 3.03 0.00 -1.26 -5.06 107.32 99.24 2dlg s GLY 67 Ca 0.11 1.48 -0.16 0.00 0.00 0.00 0.00 44.72 46.15 2dlg s GLY 67 CO 0.78 1.43 0.44 0.14 0.00 0.00 0.00 173.10 175.89 2dlg s VAL 68 N 0.76 5.12 0.34 1.40 1.01 -1.26 -3.26 120.40 124.51 2dlg s VAL 68 Ca -0.04 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2dlg s VAL 68 Cb -0.05 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2dlg s VAL 68 CO -0.06 0.09 0.39 -1.00 0.00 0.00 0.00 175.10 174.52 2dlg s HIS 69 N 2.19 2.98 -0.11 5.22 3.76 -1.08 -3.48 115.29 124.78 2dlg s HIS 69 Ca 0.18 -0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 54.80 2dlg s HIS 69 Cb -0.16 -1.93 0.03 0.00 1.11 0.00 0.00 32.58 31.64 2dlg s HIS 69 CO 0.10 0.06 -0.03 0.99 -0.85 0.00 0.00 174.74 175.01 2dlg s THR 70 N -2.26 0.71 -0.54 1.30 2.01 -0.80 -2.63 115.64 113.43 2dlg s THR 70 Ca 0.44 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 2dlg s THR 70 Cb -0.07 -0.85 0.05 0.00 0.01 0.00 0.00 72.50 71.64 2dlg s THR 70 CO 0.29 0.25 0.83 -0.69 -0.69 0.00 0.00 174.62 174.60 2dlg s VAL 71 N 1.83 4.56 -0.44 3.82 1.01 0.01 -2.53 120.40 128.67 2dlg s VAL 71 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2dlg s VAL 71 Cb -0.13 -4.46 0.04 0.00 0.00 0.00 0.00 36.38 31.84 2dlg s VAL 71 CO -0.07 -1.01 0.37 -0.44 0.00 0.00 0.00 175.10 173.95 2dlg s SER 72 N 2.81 6.14 -0.34 3.32 0.01 -1.15 -0.98 113.70 123.51 2dlg s SER 72 Ca 0.25 -1.06 -0.02 0.00 1.31 0.00 0.00 55.95 56.43 2dlg s SER 72 Cb -0.15 -2.18 0.07 0.00 0.21 0.00 0.00 66.02 63.97 2dlg s SER 72 CO 0.16 -0.57 0.08 -0.69 0.41 0.00 0.00 173.24 172.63 2dlg s VAL 73 N 1.76 3.08 0.26 3.43 1.01 -1.26 -3.04 120.40 125.64 2dlg s VAL 73 Ca 0.06 -1.66 0.06 0.00 0.00 0.00 0.00 61.98 60.44 2dlg s VAL 73 Cb -0.21 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2dlg s VAL 73 CO 0.09 -0.34 0.31 -0.54 0.00 0.00 0.00 175.10 174.63 2dlg s LYS 74 N 1.20 3.19 -0.03 2.72 1.02 -1.24 -2.80 119.74 123.80 2dlg s LYS 74 Ca 0.00 -0.92 -0.00 0.00 0.02 0.00 0.00 55.97 55.08 2dlg s LYS 74 Cb -0.21 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2dlg s LYS 74 CO -0.02 0.36 0.01 -0.47 -0.92 0.00 0.00 175.35 174.31 2dlg s TYR 75 N -2.07 0.27 0.00 3.18 5.04 0.18 -3.88 117.35 120.06 2dlg s TYR 75 Ca 0.35 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 2dlg s TYR 75 Cb -0.08 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.80 2dlg s TYR 75 CO 0.28 -0.15 0.00 0.54 -1.34 0.00 0.00 175.55 174.88 2dlg n ARG 76 N 4.40 -2.34 -1.21 4.97 1.74 -1.26 0.18 116.66 123.15 2dlg n ARG 76 Ca -0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2dlg n ARG 76 Cb 0.50 -4.24 0.00 0.00 -1.02 0.00 0.00 32.46 27.70 2dlg n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dlg n GLY 77 N -0.34 1.04 3.22 -0.13 0.00 -1.26 -5.09 105.19 102.64 2dlg n GLY 77 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2dlg n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dlg s GLN 78 N -2.59 0.33 0.06 1.61 -2.07 0.49 -5.13 119.66 112.36 2dlg s GLN 78 Ca 0.00 0.84 -0.31 0.00 -1.82 0.00 0.00 55.36 54.07 2dlg s GLN 78 Cb 0.00 0.07 -0.07 0.00 -1.09 0.00 0.00 33.01 31.92 2dlg s GLN 78 CO 0.00 -0.20 1.48 -1.01 -1.32 0.00 0.00 175.29 174.24 2dlg s HIS 79 N 1.86 2.85 0.82 9.60 3.76 -1.26 0.47 115.29 133.39 2dlg s HIS 79 Ca -0.06 0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 55.43 2dlg s HIS 79 Cb -0.10 -3.78 0.09 0.00 1.11 0.00 0.00 32.58 29.90 2dlg s HIS 79 CO -0.12 -2.92 1.13 0.14 -0.85 0.00 0.00 174.74 172.12 2dlg s VAL 80 N 2.02 2.72 0.21 -0.90 -7.23 -1.12 -4.92 120.40 111.18 2dlg s VAL 80 Ca 0.67 0.25 -0.32 0.00 -1.81 0.00 0.00 61.98 60.78 2dlg s VAL 80 Cb -0.36 -2.56 -0.12 0.00 0.56 0.00 0.00 36.38 33.90 2dlg s VAL 80 CO 0.29 -0.29 1.69 -0.89 -0.31 0.00 0.00 175.10 175.60 2dlg s THR 81 N -2.67 2.09 0.00 5.32 2.01 -1.26 -1.87 115.64 119.26 2dlg s THR 81 Ca 0.65 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.72 2dlg s THR 81 Cb -0.21 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2dlg s THR 81 CO 0.55 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 2dlg n GLY 82 N 3.76 2.85 3.83 4.40 0.00 -1.26 -5.03 105.19 113.73 2dlg n GLY 82 Ca 0.15 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2dlg n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 83 N 0.69 6.52 0.63 1.61 0.15 -0.78 -4.19 113.70 118.34 2dlg s SER 83 Ca 0.00 1.64 -0.16 0.00 0.70 0.00 0.00 55.95 58.13 2dlg s SER 83 Cb 0.00 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2dlg s SER 83 CO 0.00 -0.66 1.11 -2.16 1.20 0.00 0.00 173.24 172.74 2dlg s PRO 84 N -3.91 2.93 -0.39 5.44 0.04 -1.26 -4.76 135.00 133.09 2dlg s PRO 84 Ca 0.60 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 2dlg s PRO 84 Cb -0.11 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2dlg s PRO 84 CO 0.29 -1.15 0.26 -0.06 0.04 0.00 0.00 177.00 176.38 2dlg s PHE 85 N -2.21 3.24 -0.04 0.56 0.08 -0.16 -4.92 117.98 114.54 2dlg s PHE 85 Ca 0.68 -0.75 -0.14 0.00 0.12 0.00 0.00 56.93 56.84 2dlg s PHE 85 Cb -0.21 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 2dlg s PHE 85 CO 0.38 -0.61 0.36 -1.14 -0.10 0.00 0.00 175.22 174.11 2dlg s GLN 86 N 1.62 3.91 -0.08 0.44 0.74 -1.26 -0.81 119.66 124.23 2dlg s GLN 86 Ca 0.04 0.31 -0.11 0.00 0.05 0.00 0.00 55.36 55.64 2dlg s GLN 86 Cb -0.19 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.69 2dlg s GLN 86 CO 0.09 0.62 0.29 -0.59 -0.55 0.00 0.00 175.29 175.15 2dlg s PHE 87 N -0.79 -0.27 -0.17 1.67 -0.12 -1.08 -5.02 117.98 112.20 2dlg s PHE 87 Ca 0.22 0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 57.62 2dlg s PHE 87 Cb -0.16 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 2dlg s PHE 87 CO 0.11 -0.22 0.15 0.99 -0.05 0.00 0.00 175.22 176.20 2dlg s THR 88 N -0.30 5.42 0.08 -4.49 2.01 -1.26 -2.63 115.64 114.47 2dlg s THR 88 Ca -0.04 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 2dlg s THR 88 Cb -0.03 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2dlg s THR 88 CO 0.01 0.48 1.01 -0.69 -0.69 0.00 0.00 174.62 174.74 2dlg s VAL 89 N 0.03 4.47 0.00 3.82 1.01 -1.20 -4.55 120.40 123.98 2dlg s VAL 89 Ca 0.11 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2dlg s VAL 89 Cb -0.12 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2dlg s VAL 89 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2dlg n GLY 90 N 2.51 3.78 3.77 4.51 0.00 -1.24 -4.39 105.19 114.13 2dlg n GLY 90 Ca 0.04 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 2dlg n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 91 N 2.52 4.38 0.12 1.61 0.04 -1.26 -3.50 135.00 138.91 2dlg s PRO 91 Ca 0.00 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2dlg s PRO 91 Cb 0.00 -3.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.46 2dlg s PRO 91 CO 0.00 -0.10 1.72 1.25 0.04 0.00 0.00 177.00 179.92 2dlg h LEU 92 N 3.37 -0.07 0.00 -3.56 5.85 -1.94 -3.40 115.31 115.56 2dlg h LEU 92 Ca -0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2dlg h LEU 92 Cb 1.22 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2dlg h LEU 92 CO 0.65 -0.01 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 2dlg n GLY 93 N -1.17 2.84 3.59 3.75 0.00 -1.26 -4.78 105.19 108.15 2dlg n GLY 93 Ca -0.03 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2dlg n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dlg s GLU 94 N 0.00 3.04 0.00 1.61 2.56 -1.26 -4.88 118.70 119.77 2dlg s GLU 94 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 54.97 56.52 2dlg s GLU 94 Cb 0.00 -4.32 0.00 0.00 2.00 0.00 0.00 34.13 31.81 2dlg s GLU 94 CO 0.00 -2.20 0.00 0.41 -0.56 0.00 0.00 175.26 172.91 2dlg n GLY 95 N 5.64 2.59 2.97 -1.50 0.00 -1.26 -5.16 105.19 108.46 2dlg n GLY 95 Ca 0.27 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 2dlg n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dlg s GLY 96 N -0.87 0.92 -0.30 -0.02 0.00 -1.26 -5.09 107.32 100.70 2dlg s GLY 96 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.95 2dlg s GLY 96 CO 0.00 0.56 1.05 -0.45 0.00 0.00 0.00 173.10 174.27 2dlg s SER 97 N 1.40 -0.46 -0.15 1.64 0.15 -1.26 -5.18 113.70 109.85 2dlg s SER 97 Ca 0.01 0.39 -0.29 0.00 0.70 0.00 0.00 55.95 56.75 2dlg s SER 97 Cb -0.13 1.43 0.10 0.00 -1.71 0.00 0.00 66.02 65.70 2dlg s SER 97 CO -0.06 -0.09 0.88 -0.83 1.20 0.00 0.00 173.24 174.34 2dlg s GLY 98 N 2.75 -0.38 0.16 9.45 0.00 -1.26 -5.05 107.32 113.00 2dlg s GLY 98 Ca -0.01 1.88 -0.09 0.00 0.00 0.00 0.00 44.72 46.51 2dlg s GLY 98 CO -0.13 1.17 1.50 -0.56 0.00 0.00 0.00 173.10 175.08 2dlg h PRO 99 N 3.10 0.85 -6.36 2.90 0.13 -2.04 -3.45 132.00 127.13 2dlg h PRO 99 Ca -0.23 -0.45 -0.44 0.00 -0.87 0.00 0.00 66.00 64.01 2dlg h PRO 99 Cb 1.16 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2dlg h PRO 99 CO 0.29 1.09 -0.32 0.45 -0.23 0.00 0.00 178.00 179.28 2dlg s SER 100 N -6.85 5.91 -0.93 1.44 0.15 -1.26 -5.01 113.70 107.15 2dlg s SER 100 Ca -0.10 -0.20 -0.24 0.00 0.70 0.00 0.00 55.95 56.11 2dlg s SER 100 Cb 0.11 -1.15 -0.01 0.00 -1.71 0.00 0.00 66.02 63.26 2dlg s SER 100 CO 0.87 -0.50 1.73 -0.55 1.20 0.00 0.00 173.24 175.99 2dlg s SER 101 N -4.20 5.70 0.00 5.45 0.15 -1.26 -5.11 113.70 114.43 2dlg s SER 101 Ca 0.47 -0.92 0.06 0.00 0.70 0.00 0.00 55.95 56.26 2dlg s SER 101 Cb -0.10 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2dlg s SER 101 CO 0.32 -2.22 0.70 0.61 1.20 0.00 0.00 173.24 173.84