#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlg n SER 2 N 0.00 1.78 -4.31 1.61 2.88 -1.26 -4.91 113.62 109.41 2dlg n SER 2 Ca 0.00 -0.01 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2dlg n SER 2 Cb 0.00 -1.31 -0.16 0.00 -0.75 0.00 0.00 64.21 61.99 2dlg n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dlg s SER 3 N 9.66 3.27 0.98 -3.46 0.01 -1.26 -5.13 113.70 117.77 2dlg s SER 3 Ca 1.12 -0.45 -0.12 0.00 1.31 0.00 0.00 55.95 57.81 2dlg s SER 3 Cb -0.68 -0.86 0.18 0.00 0.21 0.00 0.00 66.02 64.86 2dlg s SER 3 CO 0.40 0.26 1.08 -0.83 0.41 0.00 0.00 173.24 174.56 2dlg s GLY 4 N -0.23 1.61 0.37 3.44 0.00 -1.26 -4.98 107.32 106.26 2dlg s GLY 4 Ca -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.48 2dlg s GLY 4 CO 0.03 0.57 1.10 -0.56 0.00 0.00 0.00 173.10 174.24 2dlg s SER 5 N -3.04 6.82 0.28 1.64 0.01 -1.26 -5.05 113.70 113.11 2dlg s SER 5 Ca 0.65 2.19 0.02 0.00 1.31 0.00 0.00 55.95 60.12 2dlg s SER 5 Cb -0.21 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 2dlg s SER 5 CO 0.59 -0.45 0.11 -0.44 0.41 0.00 0.00 173.24 173.46 2dlg s SER 6 N -1.26 1.47 0.00 2.44 0.01 -1.26 -5.10 113.70 110.01 2dlg s SER 6 Ca 0.54 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2dlg s SER 6 Cb -0.27 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2dlg s SER 6 CO 0.34 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dlg n GLY 7 N -0.54 -0.21 2.95 3.44 0.00 -1.26 -4.84 105.19 104.73 2dlg n GLY 7 Ca -0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 2dlg n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dlg s ARG 8 N 0.00 1.75 0.01 1.61 3.52 -1.26 -5.13 118.95 119.45 2dlg s ARG 8 Ca 0.00 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2dlg s ARG 8 Cb 0.00 -1.71 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 2dlg s ARG 8 CO 0.00 -0.23 0.02 0.00 -0.81 0.00 0.00 175.30 174.28 2dlg s ALA 9 N 1.55 3.35 0.51 6.12 0.00 -1.26 -5.10 121.76 126.92 2dlg s ALA 9 Ca 0.03 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 2dlg s ALA 9 Cb -0.13 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 2dlg s ALA 9 CO -0.08 0.66 1.14 -1.25 0.00 0.00 0.00 175.76 176.24 2dlg s PRO 10 N -1.70 3.53 -0.48 0.00 0.04 -1.26 -4.94 135.00 130.19 2dlg s PRO 10 Ca 0.21 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 2dlg s PRO 10 Cb -0.12 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 2dlg s PRO 10 CO 0.12 -0.72 1.65 -1.12 0.04 0.00 0.00 177.00 176.97 2dlg s SER 11 N -1.59 5.86 0.11 6.66 0.01 -1.26 -4.81 113.70 118.67 2dlg s SER 11 Ca 0.69 0.70 0.22 0.00 1.31 0.00 0.00 55.95 58.87 2dlg s SER 11 Cb -0.26 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.31 2dlg s SER 11 CO 0.30 -1.84 0.82 1.33 0.41 0.00 0.00 173.24 174.26 2dlg n VAL 12 N 7.16 0.43 -4.26 3.43 0.24 -1.26 -4.93 118.33 119.15 2dlg n VAL 12 Ca 0.18 -0.54 -0.26 0.00 -2.04 0.00 0.00 64.34 61.68 2dlg n VAL 12 Cb 0.49 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.54 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 -3.39 3.08 0.10 2.33 0.00 -1.26 -5.05 121.76 117.56 2dlg s ALA 13 Ca -0.03 -1.45 0.08 0.00 0.00 0.00 0.00 51.96 50.55 2dlg s ALA 13 Cb 0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2dlg s ALA 13 CO 0.83 0.45 -0.16 0.99 0.00 0.00 0.00 175.76 177.88 2dlg s THR 14 N -1.79 2.99 0.16 0.00 2.01 -1.26 -3.42 115.64 114.33 2dlg s THR 14 Ca 0.27 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 2dlg s THR 14 Cb -0.09 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.99 2dlg s THR 14 CO 0.17 0.15 1.04 0.54 -0.69 0.00 0.00 174.62 175.83 2dlg s VAL 15 N -1.12 4.08 0.00 3.82 0.11 -1.24 -3.70 120.40 122.35 2dlg s VAL 15 Ca 0.18 1.80 0.00 0.00 -2.93 0.00 0.00 61.98 61.04 2dlg s VAL 15 Cb -0.11 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 2dlg s VAL 15 CO 0.10 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 2dlg n GLY 16 N 2.04 1.17 3.79 6.54 0.00 -1.24 -4.53 105.19 112.96 2dlg n GLY 16 Ca 0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2dlg n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlg s SER 17 N 0.00 6.26 0.23 1.61 0.15 -1.24 -4.83 113.70 115.88 2dlg s SER 17 Ca 0.00 2.04 -0.31 0.00 0.70 0.00 0.00 55.95 58.38 2dlg s SER 17 Cb 0.00 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.63 2dlg s SER 17 CO 0.00 -0.84 1.60 -0.63 1.20 0.00 0.00 173.24 174.57 2dlg s ILE 18 N -1.84 2.27 -0.49 6.45 -1.09 -1.26 -4.45 121.20 120.80 2dlg s ILE 18 Ca 0.67 0.21 -0.15 0.00 -2.23 0.00 0.00 60.65 59.15 2dlg s ILE 18 Cb -0.20 -3.13 0.09 0.00 -1.58 0.00 0.00 42.46 37.64 2dlg s ILE 18 CO 0.24 0.02 0.41 0.00 -1.23 0.00 0.00 174.94 174.38 2dlg s ASP 20 N 2.82 6.70 -0.27 0.00 1.01 -1.25 -3.42 116.67 122.24 2dlg s ASP 20 Ca 0.04 0.75 -0.15 0.00 0.71 0.00 0.00 52.55 53.90 2dlg s ASP 20 Cb -0.26 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 2dlg s ASP 20 CO 0.05 -0.58 0.40 -0.22 0.21 0.00 0.00 175.17 175.03 2dlg s LEU 21 N 2.90 4.07 -0.61 1.23 2.96 -0.90 -4.90 118.68 123.44 2dlg s LEU 21 Ca 0.33 0.29 -0.27 0.00 -0.22 0.00 0.00 54.13 54.26 2dlg s LEU 21 Cb -0.14 -2.46 0.03 0.00 0.50 0.00 0.00 46.19 44.12 2dlg s LEU 21 CO 0.11 -0.22 1.15 0.20 -1.32 0.00 0.00 176.35 176.27 2dlg s ASN 22 N 1.63 6.35 0.01 3.68 0.01 -1.26 -3.12 114.94 122.24 2dlg s ASN 22 Ca 0.16 -0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.17 2dlg s ASN 22 Cb -0.16 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 38.97 2dlg s ASN 22 CO 0.10 -1.51 -0.10 -0.76 -1.51 0.00 0.00 177.10 173.32 2dlg s LEU 23 N 4.89 2.07 -0.16 0.60 1.43 -0.88 -5.06 118.68 121.57 2dlg s LEU 23 Ca 0.38 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2dlg s LEU 23 Cb -0.09 -0.46 0.08 0.00 0.03 0.00 0.00 46.19 45.75 2dlg s LEU 23 CO 0.21 0.07 0.26 -1.59 0.23 0.00 0.00 176.35 175.53 2dlg s LYS 24 N -0.50 0.18 -0.26 1.70 -2.85 -1.26 -0.21 119.74 116.53 2dlg s LYS 24 Ca 0.02 0.59 -0.01 0.00 -1.00 0.00 0.00 55.97 55.57 2dlg s LYS 24 Cb -0.05 -0.38 0.14 0.00 -2.06 0.00 0.00 37.83 35.48 2dlg s LYS 24 CO 0.00 -0.42 0.38 0.42 0.10 0.00 0.00 175.35 175.83 2dlg s ILE 25 N 2.41 -0.59 0.13 3.79 1.01 -0.66 -4.99 121.20 122.30 2dlg s ILE 25 Ca 0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 2dlg s ILE 25 Cb -0.13 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.39 2dlg s ILE 25 CO -0.10 -0.22 1.46 1.55 0.00 0.00 0.00 174.94 177.63 2dlg h PRO 26 N 8.19 0.87 -0.83 2.79 0.13 -1.91 -3.04 132.00 138.20 2dlg h PRO 26 Ca -0.15 -0.46 0.24 0.00 -0.87 0.00 0.00 66.00 64.77 2dlg h PRO 26 Cb 1.13 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2dlg h PRO 26 CO 0.28 1.10 0.74 0.93 -0.23 0.00 0.00 178.00 180.81 2dlg h GLU 27 N 0.67 0.00 -6.24 0.86 5.08 -1.97 -3.39 114.58 109.58 2dlg h GLU 27 Ca 0.06 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.82 2dlg h GLU 27 Cb 0.94 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.94 2dlg h GLU 27 CO 0.09 0.00 -0.85 0.42 -1.00 0.00 0.00 179.01 177.67 2dlg s ILE 28 N -4.73 1.78 0.06 3.13 1.01 -1.15 -5.14 121.20 116.16 2dlg s ILE 28 Ca -0.04 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.31 2dlg s ILE 28 Cb 0.18 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2dlg s ILE 28 CO 0.65 0.18 0.13 0.20 0.00 0.00 0.00 174.94 176.10 2dlg s ASN 29 N -1.35 5.88 0.61 3.58 -0.87 -1.26 -4.75 114.94 116.77 2dlg s ASN 29 Ca 0.08 0.12 0.40 0.00 -1.57 0.00 0.00 52.86 51.89 2dlg s ASN 29 Cb -0.09 -1.69 2.11 0.00 -0.02 0.00 0.00 41.25 41.56 2dlg s ASN 29 CO 0.02 0.18 2.23 0.77 -2.57 0.00 0.00 177.10 177.73 2dlg h SER 30 N 3.29 0.00 1.28 -1.22 4.64 -1.91 -0.23 113.55 119.41 2dlg h SER 30 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 2dlg h SER 30 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2dlg h SER 30 CO 0.69 0.00 -0.15 -1.28 -0.87 0.00 0.00 176.83 175.22 2dlg h SER 31 N 0.00 0.00 -0.11 4.97 0.87 -1.98 -3.07 113.55 114.23 2dlg h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dlg h SER 31 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2dlg h SER 31 CO 0.00 0.15 0.00 0.47 -0.53 0.00 0.00 176.83 176.92 2dlg n ASP 32 N -3.22 2.65 -4.98 6.23 8.00 -0.16 -5.03 116.55 120.04 2dlg n ASP 32 Ca 0.01 -2.55 -0.20 0.00 0.71 0.00 0.00 54.79 52.77 2dlg n ASP 32 Cb 0.46 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 41.27 2dlg n ASP 32 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2dlg s MET 33 N -1.96 3.24 -0.19 -1.24 -1.94 -0.83 -4.74 119.30 111.63 2dlg s MET 33 Ca 0.23 -0.91 -0.17 0.00 -1.71 0.00 0.00 55.69 53.12 2dlg s MET 33 Cb 0.18 -2.84 0.05 0.00 2.01 0.00 0.00 34.83 34.22 2dlg s MET 33 CO 0.05 0.19 0.51 -1.54 -0.01 0.00 0.00 175.02 174.23 2dlg s SER 34 N -4.10 -0.54 -0.03 3.03 1.04 -1.26 -5.00 113.70 106.84 2dlg s SER 34 Ca 0.41 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 2dlg s SER 34 Cb -0.09 1.04 0.03 0.00 0.10 0.00 0.00 66.02 67.10 2dlg s SER 34 CO 0.30 -0.18 0.06 0.00 0.98 0.00 0.00 173.24 174.41 2dlg s ALA 35 N 0.33 -0.04 -0.09 5.32 0.00 -1.26 -3.68 121.76 122.34 2dlg s ALA 35 Ca -0.00 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2dlg s ALA 35 Cb -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2dlg s ALA 35 CO -0.00 -0.11 -0.11 -1.01 0.00 0.00 0.00 175.76 174.53 2dlg s HIS 36 N 0.98 1.56 -0.47 0.00 3.76 -0.82 -0.38 115.29 119.91 2dlg s HIS 36 Ca -0.08 -0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 53.91 2dlg s HIS 36 Cb -0.11 -1.19 0.03 0.00 1.11 0.00 0.00 32.58 32.42 2dlg s HIS 36 CO -0.03 -0.40 0.87 0.08 -0.85 0.00 0.00 174.74 174.40 2dlg s VAL 37 N 1.09 4.54 -0.13 -0.90 1.01 -0.82 -1.99 120.40 123.20 2dlg s VAL 37 Ca -0.06 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 2dlg s VAL 37 Cb -0.14 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2dlg s VAL 37 CO -0.02 -0.82 0.21 -0.89 0.00 0.00 0.00 175.10 173.58 2dlg s THR 38 N 3.57 5.38 0.25 3.92 2.01 -0.72 -0.87 115.64 129.19 2dlg s THR 38 Ca 0.33 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2dlg s THR 38 Cb -0.11 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2dlg s THR 38 CO 0.24 0.53 0.44 -0.44 -0.69 0.00 0.00 174.62 174.70 2dlg s SER 39 N -0.47 6.35 0.00 3.53 0.01 0.17 -1.27 113.70 122.02 2dlg s SER 39 Ca 0.15 0.37 0.15 0.00 1.31 0.00 0.00 55.95 57.93 2dlg s SER 39 Cb -0.13 -2.00 0.79 0.00 0.21 0.00 0.00 66.02 64.90 2dlg s SER 39 CO 0.04 -0.13 1.39 -0.81 0.41 0.00 0.00 173.24 174.15 2dlg n PRO 40 N -1.12 0.28 0.01 12.44 -0.04 -1.24 -1.97 135.00 143.37 2dlg n PRO 40 Ca -0.05 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2dlg n PRO 40 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.21 0.52 0.00 3.54 3.41 -1.26 -4.96 113.62 113.65 2dlg n SER 41 Ca 0.08 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2dlg n SER 41 Cb 0.10 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 1.35 1.39 3.37 5.00 0.00 -0.83 -5.10 105.19 110.37 2dlg n GLY 42 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.25 3.41 0.02 1.61 3.52 -1.25 -4.91 118.95 121.10 2dlg s ARG 43 Ca 0.00 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 55.05 2dlg s ARG 43 Cb 0.00 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2dlg s ARG 43 CO 0.00 -0.26 -0.22 0.54 -0.81 0.00 0.00 175.30 174.55 2dlg s VAL 44 N 1.54 2.49 0.33 7.11 0.11 -1.26 0.45 120.40 131.16 2dlg s VAL 44 Ca 0.05 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 57.93 2dlg s VAL 44 Cb -0.15 -1.99 -0.01 0.00 -1.53 0.00 0.00 36.38 32.70 2dlg s VAL 44 CO 0.01 0.41 0.09 0.35 -3.33 0.00 0.00 175.10 172.63 2dlg n THR 45 N 1.84 0.00 -3.98 5.04 -2.24 -0.04 -4.96 114.28 109.93 2dlg n THR 45 Ca -0.16 -1.83 -0.35 0.00 -2.27 0.00 0.00 64.05 59.44 2dlg n THR 45 Cb 0.52 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 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 -3.24 3.98 0.40 -0.78 2.12 -1.26 -1.95 118.70 117.96 2dlg s GLU 46 Ca 0.13 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 2dlg s GLU 46 Cb 0.01 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2dlg s GLU 46 CO 0.09 0.26 0.63 0.00 -0.54 0.00 0.00 175.26 175.70 2dlg s ALA 47 N 0.42 3.61 -0.07 6.30 0.00 0.49 -4.86 121.76 127.66 2dlg s ALA 47 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2dlg s ALA 47 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2dlg s ALA 47 CO 0.00 -0.16 -0.12 -2.00 0.00 0.00 0.00 175.76 173.49 2dlg s GLU 48 N -4.47 2.71 -0.53 0.00 2.56 -1.26 -4.67 118.70 113.05 2dlg s GLU 48 Ca 0.43 -0.64 -0.06 0.00 0.00 0.00 0.00 54.97 54.70 2dlg s GLU 48 Cb -0.10 -2.49 0.14 0.00 2.00 0.00 0.00 34.13 33.68 2dlg s GLU 48 CO 0.39 0.58 0.37 0.42 -0.56 0.00 0.00 175.26 176.46 2dlg s ILE 49 N -0.60 3.91 0.30 -3.70 1.01 -1.26 -3.00 121.20 117.86 2dlg s ILE 49 Ca 0.09 -2.28 -0.29 0.00 0.00 0.00 0.00 60.65 58.17 2dlg s ILE 49 Cb -0.11 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 2dlg s ILE 49 CO 0.01 -0.80 1.33 -0.69 0.00 0.00 0.00 174.94 174.79 2dlg s VAL 50 N 0.77 2.76 -0.59 2.92 1.01 -0.91 -4.87 120.40 121.48 2dlg s VAL 50 Ca 0.11 0.72 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 2dlg s VAL 50 Cb -0.22 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2dlg s VAL 50 CO -0.03 0.15 1.85 -2.16 0.00 0.00 0.00 175.10 174.92 2dlg s PRO 51 N -1.36 2.68 -0.16 2.72 0.04 -1.26 -3.78 135.00 133.88 2dlg s PRO 51 Ca 0.52 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 2dlg s PRO 51 Cb -0.40 -4.37 -0.09 0.00 0.04 0.00 0.00 34.50 29.68 2dlg s PRO 51 CO 0.50 -2.66 -0.01 0.52 0.04 0.00 0.00 177.00 175.38 2dlg h MET 52 N 14.79 0.00 0.00 4.56 2.86 -1.92 -3.51 114.93 131.72 2dlg h MET 52 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2dlg h MET 52 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2dlg h MET 52 CO 1.20 0.37 0.00 0.41 1.06 0.00 0.00 176.91 179.96 2dlg n GLY 53 N 1.56 3.69 0.12 8.32 0.00 -1.23 -4.98 105.19 112.66 2dlg n GLY 53 Ca -0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2dlg n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dlg h LYS 54 N 0.00 -0.17 -0.31 1.61 3.11 -2.01 -3.38 116.57 115.41 2dlg h LYS 54 Ca 0.00 0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.66 2dlg h LYS 54 Cb 0.00 0.04 -0.13 0.00 -1.00 0.00 0.00 32.23 31.14 2dlg h LYS 54 CO 0.00 -0.06 -0.32 0.27 -2.81 0.00 0.00 179.45 176.54 2dlg n ASN 55 N -4.89 2.75 -4.34 4.20 0.23 -1.26 -4.86 115.26 107.09 2dlg n ASN 55 Ca -0.03 -3.83 -0.33 0.00 -0.53 0.00 0.00 54.58 49.86 2dlg n ASN 55 Cb 0.10 -0.57 -0.15 0.00 -2.08 0.00 0.00 39.78 37.08 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 -2.94 3.74 -0.01 0.53 0.01 -1.26 -1.65 113.70 112.12 2dlg s SER 56 Ca 0.44 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2dlg s SER 56 Cb 0.40 -1.45 -0.00 0.00 0.21 0.00 0.00 66.02 65.18 2dlg s SER 56 CO -0.02 0.18 -0.07 -1.00 0.41 0.00 0.00 173.24 172.74 2dlg s HIS 57 N 0.22 0.69 -0.12 2.43 3.76 0.70 -3.56 115.29 119.41 2dlg s HIS 57 Ca -0.10 -0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 54.66 2dlg s HIS 57 Cb -0.16 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.08 2dlg s HIS 57 CO 0.06 -0.04 -0.09 0.00 -0.85 0.00 0.00 174.74 173.82 2dlg s VAL 59 N 1.59 5.07 -0.22 0.00 1.01 -1.18 -2.14 120.40 124.52 2dlg s VAL 59 Ca 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2dlg s VAL 59 Cb -0.13 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2dlg s VAL 59 CO -0.08 -0.55 0.12 -0.13 0.00 0.00 0.00 175.10 174.46 2dlg s ARG 60 N 2.15 3.99 0.24 2.72 0.52 -1.16 -2.11 118.95 125.30 2dlg s ARG 60 Ca 0.11 -0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 54.84 2dlg s ARG 60 Cb -0.19 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 31.89 2dlg s ARG 60 CO 0.12 0.10 0.56 -0.59 0.02 0.00 0.00 175.30 175.51 2dlg s PHE 61 N 0.89 0.08 -0.43 -0.53 -0.12 -1.22 -4.14 117.98 112.50 2dlg s PHE 61 Ca 0.06 -0.47 -0.05 0.00 -0.05 0.00 0.00 56.93 56.42 2dlg s PHE 61 Cb -0.13 0.39 0.11 0.00 -0.63 0.00 0.00 43.02 42.76 2dlg s PHE 61 CO 0.03 -1.05 0.25 0.08 -0.05 0.00 0.00 175.22 174.49 2dlg s VAL 62 N -3.95 3.60 1.20 -2.49 1.01 -1.26 -0.95 120.40 117.56 2dlg s VAL 62 Ca 0.16 -1.98 -0.19 0.00 0.00 0.00 0.00 61.98 59.96 2dlg s VAL 62 Cb -0.02 -3.43 0.29 0.00 0.00 0.00 0.00 36.38 33.21 2dlg s VAL 62 CO 0.05 -0.72 1.11 -2.16 0.00 0.00 0.00 175.10 173.38 2dlg s PRO 63 N 1.19 -1.24 0.46 2.72 0.04 -1.26 -4.91 135.00 132.00 2dlg s PRO 63 Ca 0.08 -0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.12 2dlg s PRO 63 Cb -0.24 -1.59 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2dlg s PRO 63 CO -0.03 -3.72 0.46 -0.65 0.04 0.00 0.00 177.00 173.09 2dlg s GLN 64 N -5.41 2.49 0.01 4.56 -1.52 -1.26 -3.61 119.66 114.92 2dlg s GLN 64 Ca 0.71 -1.60 -0.27 0.00 -1.95 0.00 0.00 55.36 52.25 2dlg s GLN 64 Cb -0.10 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.25 2dlg s GLN 64 CO 0.56 -0.36 0.85 -1.83 -0.25 0.00 0.00 175.29 174.26 2dlg s GLU 65 N -4.25 4.53 -1.50 2.91 -1.05 -1.26 -3.96 118.70 114.12 2dlg s GLU 65 Ca 0.48 1.19 -0.03 0.00 -0.15 0.00 0.00 54.97 56.46 2dlg s GLU 65 Cb -0.04 -3.42 0.03 0.00 -0.44 0.00 0.00 34.13 30.25 2dlg s GLU 65 CO 0.29 0.09 0.37 -1.33 0.95 0.00 0.00 175.26 175.62 2dlg n MET 66 N 3.48 -2.60 -3.88 -4.83 2.81 -1.19 -4.95 117.12 105.95 2dlg n MET 66 Ca 0.02 0.31 -0.22 0.00 -1.81 0.00 0.00 57.70 55.99 2dlg n MET 66 Cb 0.51 -4.37 -0.17 0.00 -0.71 0.00 0.00 33.22 28.47 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 -4.19 0.49 -0.43 3.03 0.00 -1.25 -4.97 107.32 100.00 2dlg s GLY 67 Ca 0.13 -0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 2dlg s GLY 67 CO 0.93 0.93 0.99 0.14 0.00 0.00 0.00 173.10 176.09 2dlg s VAL 68 N 1.68 4.44 0.32 1.40 1.01 -1.26 -3.52 120.40 124.46 2dlg s VAL 68 Ca 0.01 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.11 2dlg s VAL 68 Cb -0.13 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2dlg s VAL 68 CO -0.04 -0.77 0.33 -1.00 0.00 0.00 0.00 175.10 173.62 2dlg s HIS 69 N 3.84 3.03 -0.10 5.22 3.76 -1.03 -3.60 115.29 126.40 2dlg s HIS 69 Ca 0.40 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 2dlg s HIS 69 Cb -0.10 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.83 2dlg s HIS 69 CO 0.25 0.20 -0.15 0.99 -0.85 0.00 0.00 174.74 175.18 2dlg s THR 70 N -2.22 1.43 -0.51 1.30 2.01 -0.39 -2.18 115.64 115.07 2dlg s THR 70 Ca 0.40 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.58 2dlg s THR 70 Cb -0.07 -1.31 0.05 0.00 0.01 0.00 0.00 72.50 71.17 2dlg s THR 70 CO 0.28 0.43 0.76 -0.69 -0.69 0.00 0.00 174.62 174.70 2dlg s VAL 71 N 0.96 4.67 -0.26 3.82 1.01 0.77 -1.75 120.40 129.61 2dlg s VAL 71 Ca -0.07 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 2dlg s VAL 71 Cb -0.15 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2dlg s VAL 71 CO -0.01 -0.89 0.71 -0.94 0.00 0.00 0.00 175.10 173.97 2dlg s SER 72 N 2.63 6.66 -0.32 3.32 1.04 -0.84 -0.61 113.70 125.58 2dlg s SER 72 Ca 0.23 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2dlg s SER 72 Cb -0.16 -2.38 0.10 0.00 0.10 0.00 0.00 66.02 63.69 2dlg s SER 72 CO 0.16 -0.46 0.09 -0.69 0.98 0.00 0.00 173.24 173.32 2dlg s VAL 73 N 2.69 1.19 0.16 5.02 1.01 -1.26 -1.95 120.40 127.26 2dlg s VAL 73 Ca 0.30 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.73 2dlg s VAL 73 Cb -0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2dlg s VAL 73 CO 0.09 -0.66 0.02 -0.54 0.00 0.00 0.00 175.10 174.02 2dlg s LYS 74 N 1.46 2.51 -0.23 2.72 1.02 -1.24 -3.10 119.74 122.88 2dlg s LYS 74 Ca 0.10 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 2dlg s LYS 74 Cb -0.18 -2.43 0.08 0.00 -0.52 0.00 0.00 37.83 34.78 2dlg s LYS 74 CO -0.21 0.47 0.09 -0.47 -0.92 0.00 0.00 175.35 174.30 2dlg s TYR 75 N -1.68 0.64 -1.78 3.18 5.04 -0.63 -4.12 117.35 118.00 2dlg s TYR 75 Ca 0.28 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 2dlg s TYR 75 Cb -0.10 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.25 2dlg s TYR 75 CO 0.19 -0.67 0.00 0.54 -1.34 0.00 0.00 175.55 174.27 2dlg n ARG 76 N 5.16 -1.42 -1.74 4.97 1.74 -1.26 -2.54 116.66 121.57 2dlg n ARG 76 Ca -0.07 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 2dlg n ARG 76 Cb 0.46 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 26.44 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 -0.86 0.88 3.36 -0.13 0.00 -1.26 -5.08 105.19 102.10 2dlg n GLY 77 Ca -0.21 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.43 0.45 0.09 1.61 -0.21 -1.05 -5.13 119.66 111.98 2dlg s GLN 78 Ca 0.00 1.14 -0.31 0.00 0.02 0.00 0.00 55.36 56.21 2dlg s GLN 78 Cb 0.00 0.48 -0.09 0.00 1.00 0.00 0.00 33.01 34.40 2dlg s GLN 78 CO 0.00 -0.31 1.68 -1.01 -2.12 0.00 0.00 175.29 173.53 2dlg s HIS 79 N 2.74 2.42 1.14 0.91 3.76 -1.26 -1.60 115.29 123.39 2dlg s HIS 79 Ca 0.01 0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 55.03 2dlg s HIS 79 Cb -0.13 -4.00 0.26 0.00 1.11 0.00 0.00 32.58 29.81 2dlg s HIS 79 CO -0.16 -4.03 1.08 0.14 -0.85 0.00 0.00 174.74 170.92 2dlg s VAL 80 N 2.54 1.77 0.06 -0.90 -7.23 -1.18 -4.90 120.40 110.57 2dlg s VAL 80 Ca 0.75 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.61 2dlg s VAL 80 Cb -0.41 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 33.99 2dlg s VAL 80 CO 0.33 0.00 1.88 0.41 -0.31 0.00 0.00 175.10 177.41 2dlg n THR 81 N -4.61 0.53 0.00 5.32 -1.04 -1.26 -2.22 114.28 110.99 2dlg n THR 81 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dlg n THR 81 Cb 0.58 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 2dlg n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dlg n GLY 82 N 4.33 2.22 3.71 3.41 0.00 -1.26 -5.00 105.19 112.61 2dlg n GLY 82 Ca 0.19 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2dlg n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dlg n SER 83 N 2.00 2.68 -4.77 1.61 2.88 -0.94 -4.19 113.62 112.89 2dlg n SER 83 Ca 0.00 1.11 -0.33 0.00 -1.33 0.00 0.00 58.87 58.32 2dlg n SER 83 Cb 0.00 -1.52 0.04 0.00 -0.75 0.00 0.00 64.21 61.98 2dlg n SER 83 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dlg s PRO 84 N -2.26 2.86 -0.37 -1.46 0.04 -1.26 -4.55 135.00 128.00 2dlg s PRO 84 Ca 0.61 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 2dlg s PRO 84 Cb -0.50 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.12 2dlg s PRO 84 CO 0.58 -1.21 0.19 -0.06 0.04 0.00 0.00 177.00 176.54 2dlg s PHE 85 N -2.28 3.25 0.07 0.56 0.08 0.22 -4.89 117.98 114.98 2dlg s PHE 85 Ca 0.67 -1.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.53 2dlg s PHE 85 Cb -0.21 -2.42 -0.06 0.00 -0.57 0.00 0.00 43.02 39.76 2dlg s PHE 85 CO 0.40 -0.66 0.49 -1.14 -0.10 0.00 0.00 175.22 174.21 2dlg s GLN 86 N 1.53 4.01 -0.15 0.44 0.74 -1.26 -0.16 119.66 124.81 2dlg s GLN 86 Ca 0.01 0.51 -0.13 0.00 0.05 0.00 0.00 55.36 55.81 2dlg s GLN 86 Cb -0.19 -3.13 0.04 0.00 1.10 0.00 0.00 33.01 30.82 2dlg s GLN 86 CO 0.06 0.61 0.38 -0.59 -0.55 0.00 0.00 175.29 175.20 2dlg s PHE 87 N -1.22 -0.44 -0.04 1.67 -0.12 -0.93 -4.98 117.98 111.92 2dlg s PHE 87 Ca 0.30 1.05 -0.08 0.00 -0.05 0.00 0.00 56.93 58.14 2dlg s PHE 87 Cb -0.17 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.33 2dlg s PHE 87 CO 0.17 -0.22 0.25 0.99 -0.05 0.00 0.00 175.22 176.36 2dlg s THR 88 N 0.33 5.33 -0.09 -4.49 2.01 -1.26 -2.46 115.64 115.01 2dlg s THR 88 Ca -0.01 0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 2dlg s THR 88 Cb -0.03 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2dlg s THR 88 CO -0.01 0.50 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 2dlg s VAL 89 N -1.15 4.23 0.00 3.82 1.01 -1.23 -4.07 120.40 123.01 2dlg s VAL 89 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2dlg s VAL 89 Cb -0.13 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2dlg s VAL 89 CO 0.11 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.42 2dlg n GLY 90 N 2.21 4.64 3.77 4.51 0.00 -1.22 -3.20 105.19 115.90 2dlg n GLY 90 Ca -0.18 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 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 2.23 3.82 0.45 1.61 0.04 -1.26 -3.60 135.00 138.29 2dlg s PRO 91 Ca 0.00 1.80 0.19 0.00 0.04 0.00 0.00 61.00 63.03 2dlg s PRO 91 Cb 0.00 -2.47 1.01 0.00 0.04 0.00 0.00 34.50 33.08 2dlg s PRO 91 CO 0.00 -0.51 1.50 1.37 0.04 0.00 0.00 177.00 179.41 2dlg h LEU 92 N 2.18 0.00 0.00 -3.56 -0.00 -1.95 -3.40 115.31 108.57 2dlg h LEU 92 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2dlg h LEU 92 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2dlg h LEU 92 CO 0.61 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.66 2dlg n GLY 93 N -1.26 1.01 3.57 0.17 0.00 -1.26 -4.85 105.19 102.57 2dlg n GLY 93 Ca -0.01 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 2dlg n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dlg s GLU 94 N 0.00 2.91 0.00 1.61 0.41 -1.26 -4.84 118.70 117.53 2dlg s GLU 94 Ca 0.00 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 55.52 2dlg s GLU 94 Cb 0.00 -4.31 0.00 0.00 -1.78 0.00 0.00 34.13 28.04 2dlg s GLU 94 CO 0.00 -2.38 0.00 0.41 -0.49 0.00 0.00 175.26 172.80 2dlg n GLY 95 N 5.58 3.87 0.00 -1.39 0.00 -1.26 -5.06 105.19 106.92 2dlg n GLY 95 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.59 3.58 -0.02 0.00 -1.26 -5.04 105.19 103.03 2dlg n GLY 96 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2dlg n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dlg n SER 97 N 0.00 1.22 -4.03 1.61 2.88 -1.26 -4.99 113.62 109.05 2dlg n SER 97 Ca 0.00 1.16 -0.08 0.00 -1.33 0.00 0.00 58.87 58.62 2dlg n SER 97 Cb 0.00 -1.24 -0.09 0.00 -0.75 0.00 0.00 64.21 62.12 2dlg n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dlg s GLY 98 N -0.34 0.40 0.55 0.46 0.00 -1.26 -5.15 107.32 101.98 2dlg s GLY 98 Ca 0.65 -1.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 2dlg s GLY 98 CO 0.56 -1.18 1.13 2.56 0.00 0.00 0.00 173.10 176.17 2dlg s PRO 99 N -3.91 3.32 -0.53 2.90 0.04 -1.26 -4.97 135.00 130.58 2dlg s PRO 99 Ca 0.07 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 2dlg s PRO 99 Cb 0.07 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.64 2dlg s PRO 99 CO -0.10 -0.87 1.11 0.45 0.04 0.00 0.00 177.00 177.63 2dlg s SER 100 N -1.84 6.49 -0.09 6.66 0.15 -1.26 -4.99 113.70 118.83 2dlg s SER 100 Ca 0.72 0.15 -0.12 0.00 0.70 0.00 0.00 55.95 57.39 2dlg s SER 100 Cb -0.24 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2dlg s SER 100 CO 0.28 -1.33 0.32 -0.94 1.20 0.00 0.00 173.24 172.77 2dlg s SER 101 N 2.72 -0.29 0.00 5.45 1.04 -1.26 -5.38 113.70 115.97 2dlg s SER 101 Ca 0.42 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2dlg s SER 101 Cb -0.08 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dlg s SER 101 CO 0.27 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.88