#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 -0.10 -0.19 1.61 0.01 -1.26 -5.15 113.70 108.62 2dlg s SER 2 Ca 0.00 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.27 2dlg s SER 2 Cb 0.00 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 2dlg s SER 2 CO 0.00 -0.29 0.00 -0.94 0.41 0.00 0.00 173.24 172.42 2dlg s SER 3 N -0.88 4.96 -0.65 2.44 1.04 -1.26 -5.06 113.70 114.29 2dlg s SER 3 Ca -0.10 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 2dlg s SER 3 Cb -0.05 -1.84 0.17 0.00 0.10 0.00 0.00 66.02 64.40 2dlg s SER 3 CO 0.02 0.10 0.47 -0.83 0.98 0.00 0.00 173.24 173.98 2dlg s GLY 4 N 0.79 2.54 0.20 7.32 0.00 -1.26 -5.07 107.32 111.84 2dlg s GLY 4 Ca 0.01 -3.29 0.07 0.00 0.00 0.00 0.00 44.72 41.50 2dlg s GLY 4 CO 0.02 1.12 0.10 -0.56 0.00 0.00 0.00 173.10 173.78 2dlg s SER 5 N 0.77 5.23 -0.29 1.64 0.01 -1.26 -5.12 113.70 114.67 2dlg s SER 5 Ca 0.17 -0.29 -0.15 0.00 1.31 0.00 0.00 55.95 56.99 2dlg s SER 5 Cb -0.19 -1.26 0.14 0.00 0.21 0.00 0.00 66.02 64.92 2dlg s SER 5 CO -0.04 0.03 0.92 -0.94 0.41 0.00 0.00 173.24 173.62 2dlg s SER 6 N -3.35 -0.63 -0.27 2.44 1.04 -1.26 -5.17 113.70 106.50 2dlg s SER 6 Ca 0.31 0.96 -0.23 0.00 0.48 0.00 0.00 55.95 57.46 2dlg s SER 6 Cb -0.09 1.41 0.07 0.00 0.10 0.00 0.00 66.02 67.51 2dlg s SER 6 CO 0.22 -0.15 0.71 -0.83 0.98 0.00 0.00 173.24 174.18 2dlg s GLY 7 N 1.73 -0.55 0.16 7.32 0.00 -1.26 -5.14 107.32 109.59 2dlg s GLY 7 Ca -0.08 2.08 -0.31 0.00 0.00 0.00 0.00 44.72 46.41 2dlg s GLY 7 CO -0.16 1.85 0.80 0.54 0.00 0.00 0.00 173.10 176.12 2dlg n ARG 8 N 2.98 0.34 -3.92 2.90 1.74 -1.26 -4.98 116.66 114.46 2dlg n ARG 8 Ca -0.15 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 2dlg n ARG 8 Cb 0.56 -1.35 -0.10 0.00 -1.02 0.00 0.00 32.46 30.55 2dlg n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dlg s ALA 9 N -0.67 -0.11 1.19 7.54 0.00 -1.26 -5.17 121.76 123.29 2dlg s ALA 9 Ca 0.71 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2dlg s ALA 9 Cb -0.96 0.16 0.28 0.00 0.00 0.00 0.00 23.12 22.59 2dlg s ALA 9 CO 0.56 -0.22 1.11 -1.25 0.00 0.00 0.00 175.76 175.96 2dlg s PRO 10 N -1.72 -1.14 -0.13 0.00 0.04 -1.26 -5.06 135.00 125.73 2dlg s PRO 10 Ca -0.13 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 60.90 2dlg s PRO 10 Cb -0.07 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.88 2dlg s PRO 10 CO -0.01 -3.66 -0.19 0.45 0.04 0.00 0.00 177.00 173.62 2dlg s SER 11 N -3.86 2.87 -0.13 6.66 0.15 -1.26 -4.90 113.70 113.23 2dlg s SER 11 Ca 0.71 -0.54 0.14 0.00 0.70 0.00 0.00 55.95 56.96 2dlg s SER 11 Cb -0.10 -1.32 -0.24 0.00 -1.71 0.00 0.00 66.02 62.65 2dlg s SER 11 CO 0.56 0.05 0.35 1.33 1.20 0.00 0.00 173.24 176.73 2dlg n VAL 12 N 4.15 1.51 -3.36 4.45 0.24 -1.26 -4.89 118.33 119.16 2dlg n VAL 12 Ca -0.20 -0.82 -0.38 0.00 -2.04 0.00 0.00 64.34 60.91 2dlg n VAL 12 Cb 0.51 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 32.03 2dlg n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dlg s ALA 13 N -2.54 3.51 0.08 2.33 0.00 -1.25 -5.05 121.76 118.83 2dlg s ALA 13 Ca -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 2dlg s ALA 13 Cb 0.07 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2dlg s ALA 13 CO 0.82 0.05 0.35 0.99 0.00 0.00 0.00 175.76 177.98 2dlg s THR 14 N 0.46 5.18 0.12 0.00 2.01 -1.26 -2.29 115.64 119.86 2dlg s THR 14 Ca 0.24 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 2dlg s THR 14 Cb -0.15 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 2dlg s THR 14 CO 0.09 0.21 1.08 0.54 -0.69 0.00 0.00 174.62 175.85 2dlg s VAL 15 N -1.47 4.15 0.00 3.82 0.11 -1.22 -3.57 120.40 122.22 2dlg s VAL 15 Ca 0.35 1.73 0.00 0.00 -2.93 0.00 0.00 61.98 61.13 2dlg s VAL 15 Cb -0.13 -4.11 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 2dlg s VAL 15 CO 0.20 0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 2dlg n GLY 16 N 2.41 1.81 3.79 6.54 0.00 -1.24 -4.48 105.19 114.01 2dlg n GLY 16 Ca 0.04 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 6.45 0.17 1.61 0.01 -1.23 -4.85 113.70 115.86 2dlg s SER 17 Ca 0.00 2.02 -0.31 0.00 1.31 0.00 0.00 55.95 58.97 2dlg s SER 17 Cb 0.00 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 2dlg s SER 17 CO 0.00 -0.71 1.50 -0.63 0.41 0.00 0.00 173.24 173.81 2dlg s ILE 18 N -1.80 2.78 -0.36 1.44 -1.09 -1.26 -4.40 121.20 116.50 2dlg s ILE 18 Ca 0.64 0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 59.53 2dlg s ILE 18 Cb -0.20 -3.37 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 2dlg s ILE 18 CO 0.25 0.06 0.20 0.00 -1.23 0.00 0.00 174.94 174.21 2dlg s ASP 20 N 1.59 6.61 -0.10 0.00 1.47 -1.24 -2.75 116.67 122.25 2dlg s ASP 20 Ca 0.03 0.72 -0.00 0.00 1.18 0.00 0.00 52.55 54.48 2dlg s ASP 20 Cb -0.18 -2.15 -0.03 0.00 -0.34 0.00 0.00 42.92 40.21 2dlg s ASP 20 CO 0.07 0.24 -0.07 -0.22 0.68 0.00 0.00 175.17 175.88 2dlg s LEU 21 N -1.64 3.15 -0.55 2.11 2.96 -0.94 -4.87 118.68 118.90 2dlg s LEU 21 Ca 0.28 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 2dlg s LEU 21 Cb -0.14 -1.71 0.09 0.00 0.50 0.00 0.00 46.19 44.93 2dlg s LEU 21 CO 0.15 0.30 0.64 0.20 -1.32 0.00 0.00 176.35 176.32 2dlg s ASN 22 N -0.41 6.19 -0.04 3.68 -0.87 -1.26 -3.63 114.94 118.60 2dlg s ASN 22 Ca 0.06 -1.30 0.01 0.00 -1.57 0.00 0.00 52.86 50.07 2dlg s ASN 22 Cb -0.12 -2.28 0.02 0.00 -0.02 0.00 0.00 41.25 38.85 2dlg s ASN 22 CO 0.02 -0.99 -0.05 -0.76 -2.57 0.00 0.00 177.10 172.75 2dlg s LEU 23 N 2.50 1.43 -0.32 0.60 1.43 -1.10 -5.06 118.68 118.16 2dlg s LEU 23 Ca 0.11 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2dlg s LEU 23 Cb -0.23 -0.47 0.10 0.00 0.03 0.00 0.00 46.19 45.62 2dlg s LEU 23 CO 0.08 -0.03 0.11 -1.59 0.23 0.00 0.00 176.35 175.14 2dlg s LYS 24 N 0.78 0.80 -0.40 1.70 -2.85 -1.26 -0.38 119.74 118.12 2dlg s LYS 24 Ca -0.11 -1.20 0.02 0.00 -1.00 0.00 0.00 55.97 53.68 2dlg s LYS 24 Cb -0.14 -2.07 0.12 0.00 -2.06 0.00 0.00 37.83 33.68 2dlg s LYS 24 CO 0.01 -1.00 0.17 0.42 0.10 0.00 0.00 175.35 175.04 2dlg s ILE 25 N 1.46 1.56 0.18 3.79 1.01 -0.84 -4.96 121.20 123.41 2dlg s ILE 25 Ca 0.11 -2.30 0.28 0.00 0.00 0.00 0.00 60.65 58.73 2dlg s ILE 25 Cb -0.18 -2.12 0.29 0.00 0.01 0.00 0.00 42.46 40.46 2dlg s ILE 25 CO -0.22 -0.77 1.92 1.55 0.00 0.00 0.00 174.94 177.42 2dlg h PRO 26 N 7.22 0.00 0.00 2.79 0.13 -1.94 -2.54 132.00 137.66 2dlg h PRO 26 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2dlg h PRO 26 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2dlg h PRO 26 CO 0.51 0.14 0.00 0.93 -0.23 0.00 0.00 178.00 179.36 2dlg h GLU 27 N 0.00 0.00 -5.66 0.86 4.39 -1.95 -3.45 114.58 108.77 2dlg h GLU 27 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.22 2dlg h GLU 27 Cb 0.60 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.03 2dlg h GLU 27 CO 0.02 0.00 -0.80 0.42 -1.16 0.00 0.00 179.01 177.49 2dlg s ILE 28 N -3.13 1.35 0.57 3.13 1.01 -0.96 -5.16 121.20 118.01 2dlg s ILE 28 Ca 0.10 -1.35 0.06 0.00 0.00 0.00 0.00 60.65 59.46 2dlg s ILE 28 Cb 0.12 -1.25 0.10 0.00 0.01 0.00 0.00 42.46 41.44 2dlg s ILE 28 CO 0.59 -0.12 0.78 0.59 0.00 0.00 0.00 174.94 176.78 2dlg n ASN 29 N 1.31 1.67 0.07 3.58 3.02 -1.26 -4.73 115.26 118.91 2dlg n ASN 29 Ca -0.20 -2.26 0.12 0.00 -0.03 0.00 0.00 54.58 52.20 2dlg n ASN 29 Cb 0.54 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 39.31 2dlg n ASN 29 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2dlg n SER 30 N -2.57 0.71 0.07 6.41 2.88 -1.26 -3.46 113.62 116.40 2dlg n SER 30 Ca 0.15 0.13 -0.16 0.00 -1.33 0.00 0.00 58.87 57.65 2dlg n SER 30 Cb 0.54 0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 64.44 2dlg n SER 30 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dlg h SER 31 N 0.00 0.63 0.83 -3.46 0.87 -1.97 -3.18 113.55 107.28 2dlg h SER 31 Ca 0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 2dlg h SER 31 Cb 0.86 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2dlg h SER 31 CO 0.00 1.35 -0.26 -0.90 -0.53 0.00 0.00 176.83 176.49 2dlg n ASP 32 N -3.74 0.34 -4.87 6.23 5.68 -1.26 -4.86 116.55 114.07 2dlg n ASP 32 Ca -0.09 0.18 -0.31 0.00 -0.50 0.00 0.00 54.79 54.07 2dlg n ASP 32 Cb 0.89 -0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 40.66 2dlg n ASP 32 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 2dlg s MET 33 N -3.03 3.83 -0.15 0.11 -1.94 -1.20 -4.45 119.30 112.47 2dlg s MET 33 Ca 0.12 0.41 -0.05 0.00 -1.71 0.00 0.00 55.69 54.46 2dlg s MET 33 Cb 0.17 -2.51 0.07 0.00 2.01 0.00 0.00 34.83 34.58 2dlg s MET 33 CO 0.62 0.15 0.31 -1.54 -0.01 0.00 0.00 175.02 174.55 2dlg s SER 34 N -2.67 0.23 -0.12 3.03 1.04 -1.24 -4.95 113.70 109.02 2dlg s SER 34 Ca 0.50 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.60 2dlg s SER 34 Cb -0.11 0.87 -0.01 0.00 0.10 0.00 0.00 66.02 66.88 2dlg s SER 34 CO 0.24 -0.24 -0.17 0.00 0.98 0.00 0.00 173.24 174.04 2dlg s ALA 35 N 2.47 2.44 -0.11 5.32 0.00 -1.25 -3.21 121.76 127.42 2dlg s ALA 35 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2dlg s ALA 35 Cb -0.12 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.96 2dlg s ALA 35 CO -0.10 0.27 -0.16 -1.01 0.00 0.00 0.00 175.76 174.76 2dlg s HIS 36 N 0.33 2.04 -0.74 0.00 3.76 -0.96 -0.58 115.29 119.14 2dlg s HIS 36 Ca -0.14 -0.94 -0.24 0.00 -0.15 0.00 0.00 55.06 53.59 2dlg s HIS 36 Cb -0.17 -1.45 0.06 0.00 1.11 0.00 0.00 32.58 32.13 2dlg s HIS 36 CO 0.07 -0.47 1.15 0.08 -0.85 0.00 0.00 174.74 174.72 2dlg s VAL 37 N 0.89 4.06 0.14 -0.90 1.01 -0.17 -2.26 120.40 123.16 2dlg s VAL 37 Ca -0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 2dlg s VAL 37 Cb -0.15 -4.82 -0.07 0.00 0.00 0.00 0.00 36.38 31.33 2dlg s VAL 37 CO -0.00 -1.67 0.80 -0.89 0.00 0.00 0.00 175.10 173.34 2dlg s THR 38 N 4.78 4.43 0.14 3.92 2.01 -0.70 -1.69 115.64 128.53 2dlg s THR 38 Ca 0.30 1.75 0.03 0.00 0.31 0.00 0.00 61.69 64.08 2dlg s THR 38 Cb -0.11 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2dlg s THR 38 CO 0.09 0.47 0.21 -0.94 -0.69 0.00 0.00 174.62 173.77 2dlg s SER 39 N -0.81 6.03 0.00 3.53 1.04 0.36 -1.64 113.70 122.21 2dlg s SER 39 Ca 0.38 0.07 0.15 0.00 0.48 0.00 0.00 55.95 57.03 2dlg s SER 39 Cb -0.23 -1.74 0.73 0.00 0.10 0.00 0.00 66.02 64.88 2dlg s SER 39 CO 0.26 0.08 1.42 -0.81 0.98 0.00 0.00 173.24 175.17 2dlg n PRO 40 N -0.32 0.18 0.01 4.02 -0.04 -1.20 -1.95 135.00 135.69 2dlg n PRO 40 Ca -0.07 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2dlg n PRO 40 Cb 0.54 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2dlg n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dlg n SER 41 N -1.32 0.67 0.00 3.54 3.41 -1.26 -4.95 113.62 113.71 2dlg n SER 41 Ca 0.06 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 2dlg n SER 41 Cb 0.13 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 2dlg n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlg n GLY 42 N 1.42 1.39 3.25 5.00 0.00 -0.82 -5.10 105.19 110.33 2dlg n GLY 42 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.09 3.23 -0.05 1.61 3.52 -1.25 -4.92 118.95 121.00 2dlg s ARG 43 Ca 0.00 -0.72 0.05 0.00 -0.13 0.00 0.00 55.73 54.92 2dlg s ARG 43 Cb 0.00 -2.73 -0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2dlg s ARG 43 CO 0.00 -0.09 -0.19 0.54 -0.81 0.00 0.00 175.30 174.75 2dlg s VAL 44 N 1.09 1.60 0.42 7.11 0.11 -1.26 0.13 120.40 129.60 2dlg s VAL 44 Ca 0.00 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2dlg s VAL 44 Cb -0.14 -1.37 -0.00 0.00 -1.53 0.00 0.00 36.38 33.33 2dlg s VAL 44 CO -0.04 0.46 0.01 0.35 -3.33 0.00 0.00 175.10 172.55 2dlg n THR 45 N 3.14 0.00 -3.86 5.04 -2.24 -0.68 -4.93 114.28 110.76 2dlg n THR 45 Ca -0.18 -2.00 -0.36 0.00 -2.27 0.00 0.00 64.05 59.24 2dlg n THR 45 Cb 0.53 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.51 3.66 0.29 -0.78 2.12 -1.26 -1.00 118.70 118.22 2dlg s GLU 46 Ca 0.02 -0.17 0.06 0.00 0.36 0.00 0.00 54.97 55.24 2dlg s GLU 46 Cb 0.00 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 2dlg s GLU 46 CO 0.01 0.62 0.40 0.00 -0.54 0.00 0.00 175.26 175.75 2dlg s ALA 47 N -0.58 4.06 -0.15 6.30 0.00 0.26 -4.83 121.76 126.82 2dlg s ALA 47 Ca 0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 2dlg s ALA 47 Cb -0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2dlg s ALA 47 CO 0.02 0.09 0.01 -2.00 0.00 0.00 0.00 175.76 173.88 2dlg s GLU 48 N -4.07 3.65 -0.82 0.00 2.12 -1.26 -4.69 118.70 113.62 2dlg s GLU 48 Ca 0.40 -0.42 -0.12 0.00 0.36 0.00 0.00 54.97 55.18 2dlg s GLU 48 Cb -0.09 -3.01 0.22 0.00 0.26 0.00 0.00 34.13 31.51 2dlg s GLU 48 CO 0.30 0.36 0.75 0.42 -0.54 0.00 0.00 175.26 176.55 2dlg s ILE 49 N 0.09 5.40 0.11 -3.70 1.01 -1.26 -2.96 121.20 119.88 2dlg s ILE 49 Ca 0.02 -2.62 -0.31 0.00 0.00 0.00 0.00 60.65 57.74 2dlg s ILE 49 Cb -0.13 -4.34 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 2dlg s ILE 49 CO 0.02 -1.02 1.52 -0.69 0.00 0.00 0.00 174.94 174.76 2dlg s VAL 50 N 0.01 3.06 -0.73 2.92 1.01 0.14 -4.75 120.40 122.06 2dlg s VAL 50 Ca 0.19 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.59 2dlg s VAL 50 Cb -0.11 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 2dlg s VAL 50 CO -0.08 0.03 1.90 -2.16 0.00 0.00 0.00 175.10 174.79 2dlg s PRO 51 N 1.66 2.60 0.00 2.72 0.04 -1.26 -2.47 135.00 138.28 2dlg s PRO 51 Ca 0.69 0.23 0.22 0.00 0.04 0.00 0.00 61.00 62.18 2dlg s PRO 51 Cb -0.39 -4.67 1.27 0.00 0.04 0.00 0.00 34.50 30.75 2dlg s PRO 51 CO 0.31 -3.00 1.72 -1.33 0.04 0.00 0.00 177.00 174.73 2dlg n MET 52 N 9.05 0.58 0.00 4.56 2.81 -1.13 -4.92 117.12 128.07 2dlg n MET 52 Ca 0.29 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 2dlg n MET 52 Cb 0.50 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2dlg n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dlg n GLY 53 N 0.46 -0.88 0.55 3.03 0.00 -1.26 -4.90 105.19 102.19 2dlg n GLY 53 Ca 0.15 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2dlg n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dlg n LYS 54 N 0.00 0.00 -1.27 1.61 4.76 -1.26 -4.79 118.16 117.20 2dlg n LYS 54 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 2dlg n LYS 54 Cb 0.00 -0.19 0.13 0.00 -1.84 0.00 0.00 35.03 33.14 2dlg n LYS 54 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2dlg n ASN 55 N -2.40 5.31 -4.14 4.39 6.94 -1.26 -4.92 115.26 119.18 2dlg n ASN 55 Ca 0.00 -3.71 -0.31 0.00 -0.02 0.00 0.00 54.58 50.55 2dlg n ASN 55 Cb 0.00 -0.86 -0.17 0.00 -2.36 0.00 0.00 39.78 36.40 2dlg n ASN 55 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2dlg s SER 56 N -1.73 2.81 -0.13 0.53 0.01 -1.26 -1.98 113.70 111.94 2dlg s SER 56 Ca 0.59 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.35 2dlg s SER 56 Cb 0.48 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 65.44 2dlg s SER 56 CO 0.05 0.08 -0.20 -1.00 0.41 0.00 0.00 173.24 172.58 2dlg s HIS 57 N 0.72 2.44 -0.17 2.43 3.76 0.49 -2.83 115.29 122.13 2dlg s HIS 57 Ca -0.11 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.60 2dlg s HIS 57 Cb -0.16 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 31.85 2dlg s HIS 57 CO 0.02 -0.57 -0.16 0.00 -0.85 0.00 0.00 174.74 173.18 2dlg s VAL 59 N 1.06 5.11 -0.20 0.00 1.01 -1.24 -0.68 120.40 125.46 2dlg s VAL 59 Ca -0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2dlg s VAL 59 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2dlg s VAL 59 CO -0.05 -0.47 0.06 -0.13 0.00 0.00 0.00 175.10 174.52 2dlg s ARG 60 N 1.63 3.87 0.15 2.72 0.52 -1.16 -2.20 118.95 124.48 2dlg s ARG 60 Ca 0.04 -0.39 -0.18 0.00 -0.52 0.00 0.00 55.73 54.68 2dlg s ARG 60 Cb -0.22 -3.24 0.04 0.00 0.52 0.00 0.00 34.95 32.05 2dlg s ARG 60 CO 0.07 0.13 0.48 -0.59 0.02 0.00 0.00 175.30 175.41 2dlg s PHE 61 N 0.75 -0.27 -0.49 -0.53 -0.12 -1.11 -4.16 117.98 112.05 2dlg s PHE 61 Ca 0.03 -0.02 -0.14 0.00 -0.05 0.00 0.00 56.93 56.75 2dlg s PHE 61 Cb -0.13 0.36 0.10 0.00 -0.63 0.00 0.00 43.02 42.72 2dlg s PHE 61 CO 0.02 -0.78 0.40 0.08 -0.05 0.00 0.00 175.22 174.89 2dlg s VAL 62 N -3.80 4.92 1.09 -2.49 1.01 -1.26 -0.91 120.40 118.96 2dlg s VAL 62 Ca 0.04 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 2dlg s VAL 62 Cb 0.01 -4.06 0.23 0.00 0.00 0.00 0.00 36.38 32.55 2dlg s VAL 62 CO -0.10 -0.69 1.10 -2.16 0.00 0.00 0.00 175.10 173.24 2dlg s PRO 63 N 1.55 -0.28 0.44 2.72 0.04 -1.26 -4.93 135.00 133.29 2dlg s PRO 63 Ca 0.04 0.27 0.08 0.00 0.04 0.00 0.00 61.00 61.43 2dlg s PRO 63 Cb -0.26 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2dlg s PRO 63 CO 0.04 -3.16 0.53 -0.65 0.04 0.00 0.00 177.00 173.80 2dlg s GLN 64 N -5.13 2.65 0.27 4.56 -1.52 -1.26 -3.71 119.66 115.51 2dlg s GLN 64 Ca 0.68 -1.42 -0.22 0.00 -1.95 0.00 0.00 55.36 52.45 2dlg s GLN 64 Cb -0.15 -2.60 -0.09 0.00 -0.22 0.00 0.00 33.01 29.95 2dlg s GLN 64 CO 0.57 -0.33 0.83 -1.83 -0.25 0.00 0.00 175.29 174.27 2dlg s GLU 65 N -4.32 4.39 -1.32 2.91 1.03 -1.26 -4.04 118.70 116.08 2dlg s GLU 65 Ca 0.53 1.07 -0.01 0.00 0.03 0.00 0.00 54.97 56.59 2dlg s GLU 65 Cb -0.07 -2.81 0.01 0.00 -0.80 0.00 0.00 34.13 30.46 2dlg s GLU 65 CO 0.32 0.33 0.02 -1.33 -1.33 0.00 0.00 175.26 173.27 2dlg n MET 66 N 0.59 -0.94 -3.96 -4.83 2.81 -1.26 -4.91 117.12 104.63 2dlg n MET 66 Ca -0.00 0.08 -0.13 0.00 -1.81 0.00 0.00 57.70 55.84 2dlg n MET 66 Cb 0.51 -3.07 -0.14 0.00 -0.71 0.00 0.00 33.22 29.81 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 -4.11 0.11 -0.33 3.03 0.00 -1.26 -5.01 107.32 99.76 2dlg s GLY 67 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.49 2dlg s GLY 67 CO 0.85 -0.16 0.18 0.14 0.00 0.00 0.00 173.10 174.10 2dlg s VAL 68 N -0.27 4.72 0.38 1.40 1.01 -1.26 -2.40 120.40 123.98 2dlg s VAL 68 Ca -0.02 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2dlg s VAL 68 Cb -0.02 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2dlg s VAL 68 CO -0.00 0.00 0.38 -1.00 0.00 0.00 0.00 175.10 174.48 2dlg s HIS 69 N 1.62 2.83 -0.07 5.22 3.76 -1.07 -3.27 115.29 124.32 2dlg s HIS 69 Ca 0.04 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2dlg s HIS 69 Cb -0.17 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.49 2dlg s HIS 69 CO 0.07 -0.04 -0.05 0.99 -0.85 0.00 0.00 174.74 174.86 2dlg s THR 70 N -2.36 0.68 -0.57 1.30 2.01 -0.65 -2.50 115.64 113.55 2dlg s THR 70 Ca 0.46 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.09 2dlg s THR 70 Cb -0.06 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 71.79 2dlg s THR 70 CO 0.28 0.28 0.87 -0.69 -0.69 0.00 0.00 174.62 174.68 2dlg s VAL 71 N 1.32 4.49 -0.50 3.82 1.01 0.58 -1.72 120.40 129.41 2dlg s VAL 71 Ca -0.04 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2dlg s VAL 71 Cb -0.14 -4.52 0.04 0.00 0.00 0.00 0.00 36.38 31.76 2dlg s VAL 71 CO -0.03 -1.12 0.85 -0.94 0.00 0.00 0.00 175.10 173.86 2dlg s SER 72 N 3.00 6.37 -0.40 3.32 1.04 -0.96 -1.16 113.70 124.92 2dlg s SER 72 Ca 0.25 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.43 2dlg s SER 72 Cb -0.15 -2.41 0.11 0.00 0.10 0.00 0.00 66.02 63.67 2dlg s SER 72 CO 0.15 -1.06 0.15 -0.69 0.98 0.00 0.00 173.24 172.77 2dlg s VAL 73 N 3.56 2.73 0.06 5.02 1.01 -1.26 -2.28 120.40 129.24 2dlg s VAL 73 Ca 0.30 -2.39 0.04 0.00 0.00 0.00 0.00 61.98 59.93 2dlg s VAL 73 Cb -0.13 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2dlg s VAL 73 CO 0.21 -0.67 -0.04 -0.54 0.00 0.00 0.00 175.10 174.06 2dlg s LYS 74 N 0.80 2.50 -0.09 2.72 1.02 -1.20 -3.27 119.74 122.22 2dlg s LYS 74 Ca 0.11 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2dlg s LYS 74 Cb -0.21 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 2dlg s LYS 74 CO -0.06 0.56 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.44 2dlg s TYR 75 N -1.18 1.03 -1.71 3.18 5.04 -0.50 -3.66 117.35 119.56 2dlg s TYR 75 Ca 0.22 -0.44 -0.00 0.00 -2.44 0.00 0.00 57.07 54.40 2dlg s TYR 75 Cb -0.11 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.20 2dlg s TYR 75 CO 0.13 -0.42 0.04 0.54 -1.34 0.00 0.00 175.55 174.50 2dlg n ARG 76 N 5.06 -1.93 -2.47 4.97 1.74 -1.26 -1.78 116.66 120.99 2dlg n ARG 76 Ca -0.09 0.97 -0.04 0.00 -0.77 0.00 0.00 57.85 57.91 2dlg n ARG 76 Cb 0.50 -5.65 0.01 0.00 -1.02 0.00 0.00 32.46 26.30 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 -1.03 0.50 3.43 -0.13 0.00 -1.26 -5.04 105.19 101.65 2dlg n GLY 77 Ca -0.23 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 2dlg n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dlg s GLN 78 N -4.86 0.45 0.39 1.61 -0.21 -0.73 -5.15 119.66 111.17 2dlg s GLN 78 Ca 0.07 1.21 -0.27 0.00 0.02 0.00 0.00 55.36 56.39 2dlg s GLN 78 Cb -0.03 0.57 -0.10 0.00 1.00 0.00 0.00 33.01 34.44 2dlg s GLN 78 CO 0.09 -0.26 1.43 0.72 -2.12 0.00 0.00 175.29 175.15 2dlg n HIS 79 N 5.42 2.77 -1.99 0.91 8.25 -1.26 -1.40 115.22 127.91 2dlg n HIS 79 Ca -0.10 0.46 -0.20 0.00 -0.26 0.00 0.00 57.72 57.63 2dlg n HIS 79 Cb 0.49 -2.49 0.13 0.00 1.12 0.00 0.00 29.99 29.24 2dlg n HIS 79 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dlg n VAL 80 N 0.22 0.00 -2.08 1.59 0.24 -1.20 -4.89 118.33 112.20 2dlg n VAL 80 Ca 0.03 -0.89 -0.42 0.00 -2.04 0.00 0.00 64.34 61.02 2dlg n VAL 80 Cb 0.39 -1.41 -0.03 0.00 -1.47 0.00 0.00 33.84 31.33 2dlg n VAL 80 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2dlg s THR 81 N -2.82 3.34 0.00 3.34 2.01 -1.26 -2.95 115.64 117.30 2dlg s THR 81 Ca 0.53 0.80 0.00 0.00 0.31 0.00 0.00 61.69 63.34 2dlg s THR 81 Cb -0.02 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.98 2dlg s THR 81 CO 0.37 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2dlg n GLY 82 N 3.77 2.46 3.77 4.40 0.00 -1.26 -5.01 105.19 113.32 2dlg n GLY 82 Ca 0.14 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 5.81 0.58 1.61 0.15 -1.15 -4.12 113.70 116.57 2dlg s SER 83 Ca 0.00 2.35 -0.18 0.00 0.70 0.00 0.00 55.95 58.82 2dlg s SER 83 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2dlg s SER 83 CO 0.00 -1.17 1.12 -2.16 1.20 0.00 0.00 173.24 172.23 2dlg s PRO 84 N -2.95 3.17 -0.39 5.44 0.04 -1.26 -4.57 135.00 134.48 2dlg s PRO 84 Ca 0.69 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 2dlg s PRO 84 Cb -0.29 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.27 2dlg s PRO 84 CO 0.34 -0.98 0.26 -0.06 0.04 0.00 0.00 177.00 176.61 2dlg s PHE 85 N -1.95 3.24 -0.04 0.56 0.08 -0.31 -4.90 117.98 114.65 2dlg s PHE 85 Ca 0.71 -0.61 -0.14 0.00 0.12 0.00 0.00 56.93 57.02 2dlg s PHE 85 Cb -0.23 -2.53 -0.05 0.00 -0.57 0.00 0.00 43.02 39.64 2dlg s PHE 85 CO 0.32 -0.56 0.35 -1.14 -0.10 0.00 0.00 175.22 174.09 2dlg s GLN 86 N 1.66 3.89 -0.05 0.44 0.74 -1.26 -0.30 119.66 124.77 2dlg s GLN 86 Ca 0.04 0.29 -0.10 0.00 0.05 0.00 0.00 55.36 55.64 2dlg s GLN 86 Cb -0.19 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.69 2dlg s GLN 86 CO 0.09 0.63 0.24 -0.59 -0.55 0.00 0.00 175.29 175.12 2dlg s PHE 87 N -0.82 -0.18 -0.11 1.67 -0.12 -1.04 -5.01 117.98 112.38 2dlg s PHE 87 Ca 0.22 0.38 -0.05 0.00 -0.05 0.00 0.00 56.93 57.43 2dlg s PHE 87 Cb -0.15 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2dlg s PHE 87 CO 0.11 -0.24 0.07 0.99 -0.05 0.00 0.00 175.22 176.09 2dlg s THR 88 N -0.63 4.89 0.00 -4.49 2.01 -1.26 -2.60 115.64 113.56 2dlg s THR 88 Ca -0.07 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2dlg s THR 88 Cb -0.04 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2dlg s THR 88 CO 0.02 0.60 0.20 -0.69 -0.69 0.00 0.00 174.62 174.06 2dlg s VAL 89 N -0.84 5.41 0.00 3.82 1.01 -1.01 -3.91 120.40 124.88 2dlg s VAL 89 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2dlg s VAL 89 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2dlg s VAL 89 CO 0.03 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2dlg n GLY 90 N 0.90 7.32 3.77 4.51 0.00 -0.97 -3.99 105.19 116.72 2dlg n GLY 90 Ca -0.10 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 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 1.19 3.54 0.31 1.61 0.04 -1.26 -3.42 135.00 137.00 2dlg s PRO 91 Ca 0.00 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.73 2dlg s PRO 91 Cb 0.00 -2.19 0.50 0.00 0.04 0.00 0.00 34.50 32.85 2dlg s PRO 91 CO 0.00 -0.71 1.89 1.37 0.04 0.00 0.00 177.00 179.59 2dlg h LEU 92 N 1.59 0.72 -8.89 -3.56 -0.00 -1.95 -3.39 115.31 99.83 2dlg h LEU 92 Ca -0.50 -0.10 -0.63 0.00 -0.00 0.00 0.00 57.88 56.65 2dlg h LEU 92 Cb 1.26 -0.18 -0.20 0.00 -0.00 0.00 0.00 40.66 41.53 2dlg h LEU 92 CO 0.58 0.66 -0.61 -0.83 -0.00 0.00 0.00 178.44 178.24 2dlg s GLY 93 N -3.62 1.81 0.51 0.17 0.00 -1.26 -4.83 107.32 100.09 2dlg s GLY 93 Ca -0.09 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 2dlg s GLY 93 CO 0.78 0.15 0.80 -0.54 0.00 0.00 0.00 173.10 174.29 2dlg s GLU 94 N 0.71 3.30 -0.71 2.90 2.02 -1.26 -4.56 118.70 121.09 2dlg s GLU 94 Ca 0.02 0.04 -0.07 0.00 0.02 0.00 0.00 54.97 54.98 2dlg s GLU 94 Cb -0.14 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.73 2dlg s GLU 94 CO 0.02 -0.35 0.64 0.41 0.02 0.00 0.00 175.26 176.00 2dlg n GLY 95 N -2.32 -1.09 7.00 -1.39 0.00 -1.26 -4.66 105.19 101.47 2dlg n GLY 95 Ca 0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2dlg n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dlg n GLY 96 N -1.36 0.88 2.67 -0.02 0.00 -1.26 -4.45 105.19 101.64 2dlg n GLY 96 Ca -0.15 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2dlg n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlg s SER 97 N -4.00 3.72 -0.03 1.61 0.01 -1.26 -4.91 113.70 108.83 2dlg s SER 97 Ca 0.00 -1.42 0.01 0.00 1.31 0.00 0.00 55.95 55.85 2dlg s SER 97 Cb 0.00 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 2dlg s SER 97 CO 0.00 -0.41 -0.03 -0.83 0.41 0.00 0.00 173.24 172.38 2dlg s GLY 98 N 1.81 1.80 0.36 3.44 0.00 -1.26 -5.00 107.32 108.46 2dlg s GLY 98 Ca 0.08 -0.92 0.27 0.00 0.00 0.00 0.00 44.72 44.15 2dlg s GLY 98 CO -0.27 -0.74 1.80 -0.56 0.00 0.00 0.00 173.10 173.33 2dlg h PRO 99 N 4.79 0.00 -2.84 2.90 0.13 -2.00 -3.46 132.00 131.52 2dlg h PRO 99 Ca -0.49 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.40 2dlg h PRO 99 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2dlg h PRO 99 CO 0.55 0.00 -0.27 0.45 -0.23 0.00 0.00 178.00 178.50 2dlg n SER 100 N -2.51 -3.51 0.25 1.44 2.88 -1.26 -4.78 113.62 106.13 2dlg n SER 100 Ca 0.01 0.24 0.11 0.00 -1.33 0.00 0.00 58.87 57.90 2dlg n SER 100 Cb 0.25 -3.12 0.68 0.00 -0.75 0.00 0.00 64.21 61.26 2dlg n SER 100 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dlg h SER 101 N 0.00 0.00 0.00 -3.46 0.02 -2.04 -3.58 113.55 104.49 2dlg h SER 101 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2dlg h SER 101 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2dlg h SER 101 CO 0.34 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.77