#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 -0.43 0.26 1.61 1.04 -1.26 -5.19 113.70 109.73 2dlg s SER 2 Ca 0.00 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 2dlg s SER 2 Cb 0.00 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2dlg s SER 2 CO 0.00 -1.08 0.60 -0.44 0.98 0.00 0.00 173.24 173.30 2dlg s SER 3 N -2.80 -0.19 0.16 7.02 0.01 -1.26 -5.19 113.70 111.45 2dlg s SER 3 Ca 0.05 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2dlg s SER 3 Cb -0.03 0.66 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 2dlg s SER 3 CO -0.05 -1.23 0.02 -0.83 0.41 0.00 0.00 173.24 171.56 2dlg s GLY 4 N -2.96 1.13 0.21 3.44 0.00 -1.26 -5.17 107.32 102.72 2dlg s GLY 4 Ca 0.16 -1.54 0.07 0.00 0.00 0.00 0.00 44.72 43.40 2dlg s GLY 4 CO 0.07 -1.46 0.09 -1.35 0.00 0.00 0.00 173.10 170.45 2dlg s SER 5 N -3.12 5.14 0.15 1.64 1.04 -1.26 -5.13 113.70 112.16 2dlg s SER 5 Ca 0.24 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.38 2dlg s SER 5 Cb 0.07 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 2dlg s SER 5 CO 0.03 0.03 0.13 -0.94 0.98 0.00 0.00 173.24 173.46 2dlg s SER 6 N -3.40 5.53 0.34 7.02 1.04 -1.26 -4.98 113.70 117.98 2dlg s SER 6 Ca 0.31 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2dlg s SER 6 Cb -0.08 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2dlg s SER 6 CO 0.22 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.14 2dlg n GLY 7 N -0.20 -4.38 1.84 7.32 0.00 -1.26 -4.89 105.19 103.62 2dlg n GLY 7 Ca -0.08 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2dlg n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dlg n ARG 8 N -0.40 3.36 -2.76 1.61 0.00 -1.26 -5.06 116.66 112.15 2dlg n ARG 8 Ca 0.00 -4.06 -0.36 0.00 -0.00 0.00 0.00 57.85 53.43 2dlg n ARG 8 Cb 0.00 -2.20 -0.06 0.00 -0.00 0.00 0.00 32.46 30.20 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 -3.56 3.17 -2.00 2.89 0.00 -1.26 -4.93 121.76 116.08 2dlg s ALA 9 Ca 0.49 0.53 0.16 0.00 0.00 0.00 0.00 51.96 53.13 2dlg s ALA 9 Cb 0.41 -3.19 0.93 0.00 0.00 0.00 0.00 23.12 21.26 2dlg s ALA 9 CO 0.03 0.13 1.34 -0.35 0.00 0.00 0.00 175.76 176.90 2dlg n PRO 10 N 0.31 0.49 -3.63 0.00 -0.04 -1.26 -4.52 135.00 126.34 2dlg n PRO 10 Ca 0.03 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 2dlg n PRO 10 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.00 -0.53 0.33 3.54 1.04 -1.26 -5.00 113.70 109.83 2dlg s SER 11 Ca 0.23 1.14 0.22 0.00 0.48 0.00 0.00 55.95 58.02 2dlg s SER 11 Cb 0.11 1.64 0.18 0.00 0.10 0.00 0.00 66.02 68.05 2dlg s SER 11 CO 0.18 -0.23 1.35 -0.37 0.98 0.00 0.00 173.24 175.15 2dlg h VAL 12 N 6.12 0.05 -3.17 5.02 -1.51 -1.79 -3.47 116.25 117.49 2dlg h VAL 12 Ca -0.17 -1.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.18 2dlg h VAL 12 Cb 1.11 1.81 -0.14 0.00 -2.13 0.00 0.00 31.29 31.94 2dlg h VAL 12 CO 0.12 0.03 -0.02 0.00 -1.23 0.00 0.00 177.57 176.47 2dlg s ALA 13 N -3.26 -1.10 0.01 5.19 0.00 -1.25 -5.03 121.76 116.32 2dlg s ALA 13 Ca 0.04 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.24 2dlg s ALA 13 Cb 0.07 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2dlg s ALA 13 CO 0.73 -0.60 -0.14 0.99 0.00 0.00 0.00 175.76 176.73 2dlg s THR 14 N -3.32 3.08 0.30 0.00 2.01 -1.26 -3.15 115.64 113.30 2dlg s THR 14 Ca -0.00 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 2dlg s THR 14 Cb 0.01 -2.28 -0.10 0.00 0.01 0.00 0.00 72.50 70.13 2dlg s THR 14 CO -0.09 0.42 1.16 0.54 -0.69 0.00 0.00 174.62 175.97 2dlg s VAL 15 N -0.89 3.24 0.00 3.82 0.11 -1.24 -3.40 120.40 122.04 2dlg s VAL 15 Ca 0.14 1.23 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 2dlg s VAL 15 Cb -0.11 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2dlg s VAL 15 CO 0.05 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 2dlg n GLY 16 N 1.02 1.04 3.74 6.54 0.00 -1.25 -4.59 105.19 111.70 2dlg n GLY 16 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 7.14 0.27 1.61 0.01 -1.22 -4.84 113.70 116.67 2dlg s SER 17 Ca 0.00 2.25 -0.31 0.00 1.31 0.00 0.00 55.95 59.20 2dlg s SER 17 Cb 0.00 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.49 2dlg s SER 17 CO 0.00 -0.30 1.55 -0.38 0.41 0.00 0.00 173.24 174.52 2dlg n ILE 18 N 2.05 0.91 -3.61 1.44 2.08 -1.26 -4.55 119.36 116.41 2dlg n ILE 18 Ca 0.02 -0.23 -0.38 0.00 0.56 0.00 0.00 62.75 62.73 2dlg n ILE 18 Cb 0.45 -1.81 -0.11 0.00 -0.75 0.00 0.00 39.64 37.42 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 1.70 6.35 -0.12 0.00 1.01 -1.26 -3.34 116.67 121.02 2dlg s ASP 20 Ca 0.07 0.40 -0.03 0.00 0.71 0.00 0.00 52.55 53.70 2dlg s ASP 20 Cb -0.16 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 2dlg s ASP 20 CO 0.10 0.12 -0.00 -0.22 0.21 0.00 0.00 175.17 175.38 2dlg s LEU 21 N 0.48 3.52 -0.53 1.23 2.96 -1.10 -4.94 118.68 120.30 2dlg s LEU 21 Ca 0.13 0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.90 2dlg s LEU 21 Cb -0.12 -1.83 0.06 0.00 0.50 0.00 0.00 46.19 44.79 2dlg s LEU 21 CO 0.02 0.29 0.71 0.20 -1.32 0.00 0.00 176.35 176.24 2dlg s ASN 22 N -0.32 6.24 -0.08 3.68 0.02 -1.26 -3.71 114.94 119.51 2dlg s ASN 22 Ca 0.07 -0.83 -0.01 0.00 -1.02 0.00 0.00 52.86 51.07 2dlg s ASN 22 Cb -0.12 -2.33 0.03 0.00 0.02 0.00 0.00 41.25 38.85 2dlg s ASN 22 CO 0.02 -1.00 -0.03 -0.76 0.02 0.00 0.00 177.10 175.35 2dlg s LEU 23 N 2.96 0.85 -0.63 0.60 1.43 -1.18 -5.07 118.68 117.65 2dlg s LEU 23 Ca 0.18 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2dlg s LEU 23 Cb -0.18 -0.58 0.16 0.00 0.03 0.00 0.00 46.19 45.62 2dlg s LEU 23 CO 0.13 -0.16 0.43 -1.59 0.23 0.00 0.00 176.35 175.39 2dlg s LYS 24 N 1.80 2.15 -0.47 1.70 -2.85 -1.26 -0.98 119.74 119.83 2dlg s LYS 24 Ca 0.04 -3.03 0.03 0.00 -1.00 0.00 0.00 55.97 52.00 2dlg s LYS 24 Cb -0.13 -3.12 0.12 0.00 -2.06 0.00 0.00 37.83 32.65 2dlg s LYS 24 CO -0.06 -1.27 0.21 0.42 0.10 0.00 0.00 175.35 174.75 2dlg s ILE 25 N -1.03 2.69 0.03 3.79 1.01 -1.22 -4.96 121.20 121.51 2dlg s ILE 25 Ca 0.24 -2.86 -0.21 0.00 0.00 0.00 0.00 60.65 57.82 2dlg s ILE 25 Cb -0.08 -2.88 -0.15 0.00 0.01 0.00 0.00 42.46 39.37 2dlg s ILE 25 CO -0.14 -0.74 1.34 1.55 0.00 0.00 0.00 174.94 176.95 2dlg h PRO 26 N 7.05 0.31 -1.19 2.79 0.13 -1.95 -3.10 132.00 136.04 2dlg h PRO 26 Ca -0.06 -0.16 0.34 0.00 -0.87 0.00 0.00 66.00 65.24 2dlg h PRO 26 Cb 0.95 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.03 2dlg h PRO 26 CO 0.64 0.71 0.84 0.93 -0.23 0.00 0.00 178.00 180.89 2dlg h GLU 27 N -0.07 0.07 -5.83 0.86 5.08 -1.98 -3.39 114.58 109.32 2dlg h GLU 27 Ca 0.02 -0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.72 2dlg h GLU 27 Cb 0.65 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 2dlg h GLU 27 CO 0.03 0.04 -0.52 0.42 -1.00 0.00 0.00 179.01 177.98 2dlg s ILE 28 N -5.05 5.17 -0.10 3.13 1.01 -1.17 -5.08 121.20 119.11 2dlg s ILE 28 Ca -0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 2dlg s ILE 28 Cb 0.24 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 2dlg s ILE 28 CO 0.81 0.43 0.75 0.21 0.00 0.00 0.00 174.94 177.14 2dlg s ASN 29 N -1.56 6.99 0.57 3.58 3.84 -1.26 -4.88 114.94 122.22 2dlg s ASN 29 Ca 0.22 1.20 0.33 0.00 0.21 0.00 0.00 52.86 54.82 2dlg s ASN 29 Cb -0.12 -2.43 1.42 0.00 -0.55 0.00 0.00 41.25 39.56 2dlg s ASN 29 CO 0.12 -0.22 1.72 0.77 -2.79 0.00 0.00 177.10 176.70 2dlg h SER 30 N 6.98 0.00 0.21 -4.21 4.64 -1.93 0.48 113.55 119.72 2dlg h SER 30 Ca -0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.65 2dlg h SER 30 Cb 1.18 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2dlg h SER 30 CO 0.78 0.00 -1.37 0.28 -0.87 0.00 0.00 176.83 175.65 2dlg h SER 31 N 0.00 0.70 0.83 4.97 0.02 -1.96 -3.28 113.55 114.83 2dlg h SER 31 Ca 0.46 -0.93 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 2dlg h SER 31 Cb 2.16 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.47 2dlg h SER 31 CO -0.00 1.65 -0.07 0.44 -1.14 0.00 0.00 176.83 177.70 2dlg h ASP 32 N -0.01 0.00 -3.67 3.07 3.32 -0.54 -3.44 116.42 115.14 2dlg h ASP 32 Ca -0.25 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.34 2dlg h ASP 32 Cb 2.01 0.00 0.19 0.00 0.22 0.00 0.00 39.33 41.75 2dlg h ASP 32 CO 0.22 0.07 0.12 -0.04 -1.72 0.00 0.00 179.24 177.89 2dlg s MET 33 N -3.77 -0.01 -0.27 3.56 -1.94 0.09 -4.76 119.30 112.20 2dlg s MET 33 Ca 0.00 0.83 -0.08 0.00 -1.71 0.00 0.00 55.69 54.72 2dlg s MET 33 Cb 0.10 -1.66 0.12 0.00 2.01 0.00 0.00 34.83 35.40 2dlg s MET 33 CO 0.56 -3.11 0.57 -1.12 -0.01 0.00 0.00 175.02 171.92 2dlg s SER 34 N -2.94 -0.88 0.13 3.03 0.01 -1.24 -5.03 113.70 106.79 2dlg s SER 34 Ca 0.67 1.33 0.11 0.00 1.31 0.00 0.00 55.95 59.36 2dlg s SER 34 Cb -0.22 2.00 -0.04 0.00 0.21 0.00 0.00 66.02 67.97 2dlg s SER 34 CO 0.61 -0.23 -0.26 0.00 0.41 0.00 0.00 173.24 173.76 2dlg s ALA 35 N 2.81 2.36 -0.10 1.44 0.00 -1.26 -2.57 121.76 124.44 2dlg s ALA 35 Ca -0.02 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2dlg s ALA 35 Cb -0.12 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.67 2dlg s ALA 35 CO -0.17 0.52 0.22 -1.01 0.00 0.00 0.00 175.76 175.32 2dlg s HIS 36 N -1.10 -0.29 -0.68 0.00 3.76 -0.98 -2.39 115.29 113.61 2dlg s HIS 36 Ca 0.14 0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 55.58 2dlg s HIS 36 Cb -0.10 0.02 0.12 0.00 1.11 0.00 0.00 32.58 33.73 2dlg s HIS 36 CO 0.06 -0.21 0.80 0.08 -0.85 0.00 0.00 174.74 174.62 2dlg s VAL 37 N 1.20 4.87 -0.15 -0.90 1.01 -0.45 -1.58 120.40 124.39 2dlg s VAL 37 Ca -0.09 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 2dlg s VAL 37 Cb -0.10 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 2dlg s VAL 37 CO -0.08 -1.20 0.71 -0.89 0.00 0.00 0.00 175.10 173.64 2dlg s THR 38 N 2.48 4.99 0.47 3.92 2.01 -0.67 -2.11 115.64 126.74 2dlg s THR 38 Ca 0.16 1.39 -0.07 0.00 0.31 0.00 0.00 61.69 63.48 2dlg s THR 38 Cb -0.19 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2dlg s THR 38 CO 0.02 0.13 0.80 -0.44 -0.69 0.00 0.00 174.62 174.44 2dlg s SER 39 N 1.05 6.33 0.00 3.53 0.01 0.12 -0.96 113.70 123.78 2dlg s SER 39 Ca 0.34 1.01 0.14 0.00 1.31 0.00 0.00 55.95 58.76 2dlg s SER 39 Cb -0.17 -2.28 0.68 0.00 0.21 0.00 0.00 66.02 64.46 2dlg s SER 39 CO 0.13 -0.55 1.43 -0.81 0.41 0.00 0.00 173.24 173.85 2dlg n PRO 40 N -2.04 0.11 0.05 12.44 -0.04 -1.12 -2.15 135.00 142.26 2dlg n PRO 40 Ca 0.01 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2dlg n PRO 40 Cb 0.55 -1.50 -0.06 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 -1.39 0.61 0.00 3.54 3.41 -1.26 -4.96 113.62 113.57 2dlg n SER 41 Ca 0.05 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2dlg n SER 41 Cb 0.14 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 1.27 1.62 3.33 5.00 0.00 -0.91 -5.11 105.19 110.38 2dlg n GLY 42 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 3.37 -0.01 1.61 3.52 -1.26 -4.91 118.95 121.19 2dlg s ARG 43 Ca 0.00 -0.64 0.07 0.00 -0.13 0.00 0.00 55.73 55.03 2dlg s ARG 43 Cb 0.00 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.27 2dlg s ARG 43 CO 0.00 -0.23 -0.22 0.54 -0.81 0.00 0.00 175.30 174.58 2dlg s VAL 44 N 1.50 2.43 0.36 7.11 0.11 -1.26 0.16 120.40 130.81 2dlg s VAL 44 Ca 0.05 -1.07 0.04 0.00 -2.93 0.00 0.00 61.98 58.07 2dlg s VAL 44 Cb -0.15 -1.92 -0.05 0.00 -1.53 0.00 0.00 36.38 32.74 2dlg s VAL 44 CO -0.02 0.51 0.08 0.42 -3.33 0.00 0.00 175.10 172.76 2dlg s THR 45 N -0.72 1.00 -0.06 5.04 -4.23 -0.90 -4.94 115.64 110.82 2dlg s THR 45 Ca 0.11 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.43 2dlg s THR 45 Cb -0.10 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 2dlg s THR 45 CO 0.01 0.00 0.55 -0.70 -0.54 0.00 0.00 174.62 173.93 2dlg s GLU 46 N -3.83 4.32 0.37 3.99 2.12 -1.26 -1.34 118.70 123.06 2dlg s GLU 46 Ca 0.30 0.61 0.01 0.00 0.36 0.00 0.00 54.97 56.25 2dlg s GLU 46 Cb 0.06 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2dlg s GLU 46 CO 0.14 0.25 0.57 0.00 -0.54 0.00 0.00 175.26 175.68 2dlg s ALA 47 N 0.25 3.73 -0.10 6.30 0.00 -1.00 -4.87 121.76 126.06 2dlg s ALA 47 Ca 0.29 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2dlg s ALA 47 Cb -0.17 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 2dlg s ALA 47 CO 0.14 -0.09 -0.02 -2.00 0.00 0.00 0.00 175.76 173.79 2dlg s GLU 48 N -4.35 3.15 -0.52 0.00 2.12 -1.26 -4.73 118.70 113.11 2dlg s GLU 48 Ca 0.42 -0.46 -0.09 0.00 0.36 0.00 0.00 54.97 55.20 2dlg s GLU 48 Cb -0.10 -2.80 0.13 0.00 0.26 0.00 0.00 34.13 31.62 2dlg s GLU 48 CO 0.36 0.57 0.40 0.42 -0.54 0.00 0.00 175.26 176.47 2dlg s ILE 49 N -0.52 4.35 -0.08 -3.70 1.01 -1.26 -3.09 121.20 117.92 2dlg s ILE 49 Ca 0.09 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.50 2dlg s ILE 49 Cb -0.12 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2dlg s ILE 49 CO 0.02 -0.82 1.16 -0.69 0.00 0.00 0.00 174.94 174.61 2dlg s VAL 50 N 1.14 4.38 -0.55 2.92 1.01 -0.81 -4.85 120.40 123.64 2dlg s VAL 50 Ca 0.08 1.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.48 2dlg s VAL 50 Cb -0.25 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2dlg s VAL 50 CO -0.01 -0.01 1.83 -2.16 0.00 0.00 0.00 175.10 174.74 2dlg s PRO 51 N 2.28 2.80 -0.04 2.72 0.04 -1.26 -2.26 135.00 139.28 2dlg s PRO 51 Ca 0.54 0.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 2dlg s PRO 51 Cb -0.23 -4.34 -0.26 0.00 0.04 0.00 0.00 34.50 29.72 2dlg s PRO 51 CO 0.20 -2.52 0.99 0.52 0.04 0.00 0.00 177.00 176.23 2dlg h MET 52 N 14.37 0.28 0.00 4.56 2.86 -1.64 -3.50 114.93 131.87 2dlg h MET 52 Ca -0.27 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 2dlg h MET 52 Cb 1.16 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2dlg h MET 52 CO 1.18 1.09 0.00 0.41 1.06 0.00 0.00 176.91 180.65 2dlg n GLY 53 N 1.29 -0.47 3.52 8.32 0.00 -1.23 -4.94 105.19 111.68 2dlg n GLY 53 Ca -0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 0.27 -4.44 1.61 5.02 -1.26 -1.76 118.16 117.61 2dlg n LYS 54 Ca 0.00 -0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 2dlg n LYS 54 Cb 0.00 -2.06 -0.08 0.00 -0.02 0.00 0.00 35.03 32.88 2dlg n LYS 54 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2dlg n ASN 55 N 11.22 -1.32 -4.37 4.39 0.23 -1.26 -4.90 115.26 119.26 2dlg n ASN 55 Ca 0.58 -1.22 -0.34 0.00 -0.53 0.00 0.00 54.58 53.07 2dlg n ASN 55 Cb 0.23 -1.79 -0.14 0.00 -2.08 0.00 0.00 39.78 36.00 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 -3.56 4.40 -0.04 0.53 0.01 -0.72 -3.39 113.70 110.92 2dlg s SER 56 Ca 0.61 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.61 2dlg s SER 56 Cb -0.35 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.12 2dlg s SER 56 CO 1.01 0.05 -0.20 -1.00 0.41 0.00 0.00 173.24 173.50 2dlg s HIS 57 N 1.07 2.52 -0.28 2.43 3.76 -0.15 -1.52 115.29 123.11 2dlg s HIS 57 Ca 0.01 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2dlg s HIS 57 Cb -0.15 -1.58 0.09 0.00 1.11 0.00 0.00 32.58 32.05 2dlg s HIS 57 CO -0.00 0.02 0.05 0.00 -0.85 0.00 0.00 174.74 173.96 2dlg s VAL 59 N 1.50 4.46 -0.17 0.00 1.01 -1.24 -1.93 120.40 124.02 2dlg s VAL 59 Ca 0.05 1.21 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 2dlg s VAL 59 Cb -0.18 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 2dlg s VAL 59 CO -0.17 -0.69 0.02 -0.13 0.00 0.00 0.00 175.10 174.13 2dlg s ARG 60 N 3.79 3.82 0.17 2.72 0.52 -1.18 -2.71 118.95 126.08 2dlg s ARG 60 Ca 0.41 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 55.01 2dlg s ARG 60 Cb -0.10 -3.08 0.04 0.00 0.52 0.00 0.00 34.95 32.32 2dlg s ARG 60 CO 0.23 0.23 0.51 -0.59 0.02 0.00 0.00 175.30 175.69 2dlg s PHE 61 N 0.43 -0.20 -0.38 -0.53 -0.12 -1.21 -4.14 117.98 111.83 2dlg s PHE 61 Ca -0.00 -0.12 -0.03 0.00 -0.05 0.00 0.00 56.93 56.72 2dlg s PHE 61 Cb -0.13 0.38 0.09 0.00 -0.63 0.00 0.00 43.02 42.73 2dlg s PHE 61 CO 0.02 -0.86 0.15 0.08 -0.05 0.00 0.00 175.22 174.56 2dlg s VAL 62 N -3.84 3.31 0.93 -2.49 1.01 -1.26 -1.12 120.40 116.94 2dlg s VAL 62 Ca 0.07 -1.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 2dlg s VAL 62 Cb -0.00 -3.15 0.23 0.00 0.00 0.00 0.00 36.38 33.46 2dlg s VAL 62 CO -0.06 -0.51 0.83 -0.81 0.00 0.00 0.00 175.10 174.54 2dlg n PRO 63 N 4.63 -2.63 -3.98 2.72 -0.04 -1.26 -4.92 135.00 129.53 2dlg n PRO 63 Ca -0.06 -1.33 -0.25 0.00 -0.04 0.00 0.00 63.50 61.83 2dlg n PRO 63 Cb 0.42 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -4.88 2.30 -0.01 0.54 -1.52 -1.26 -3.84 119.66 110.99 2dlg s GLN 64 Ca 0.54 -1.86 -0.28 0.00 -1.95 0.00 0.00 55.36 51.80 2dlg s GLN 64 Cb -0.05 -2.07 -0.03 0.00 -0.22 0.00 0.00 33.01 30.63 2dlg s GLN 64 CO 0.41 -0.29 0.91 -1.83 -0.25 0.00 0.00 175.29 174.24 2dlg s GLU 65 N -4.06 4.54 -1.41 2.91 1.03 -1.26 -3.73 118.70 116.72 2dlg s GLU 65 Ca 0.38 1.29 -0.13 0.00 0.03 0.00 0.00 54.97 56.54 2dlg s GLU 65 Cb 0.01 -3.45 0.10 0.00 -0.80 0.00 0.00 34.13 29.99 2dlg s GLU 65 CO 0.22 0.01 0.60 -1.33 -1.33 0.00 0.00 175.26 173.43 2dlg n MET 66 N 3.75 -3.34 -5.10 -4.83 2.81 -1.25 -4.93 117.12 104.23 2dlg n MET 66 Ca 0.04 0.42 -0.31 0.00 -1.81 0.00 0.00 57.70 56.04 2dlg n MET 66 Cb 0.51 -5.14 -0.17 0.00 -0.71 0.00 0.00 33.22 27.71 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 -2.92 1.22 -0.40 3.03 0.00 -1.24 -4.96 107.32 102.05 2dlg s GLY 67 Ca 0.53 -0.87 -0.21 0.00 0.00 0.00 0.00 44.72 44.17 2dlg s GLY 67 CO 0.65 -0.27 0.64 0.14 0.00 0.00 0.00 173.10 174.26 2dlg s VAL 68 N 0.36 4.86 0.42 1.40 1.01 -1.26 -3.27 120.40 123.91 2dlg s VAL 68 Ca -0.17 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2dlg s VAL 68 Cb -0.17 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2dlg s VAL 68 CO 0.08 -0.45 0.43 -1.00 0.00 0.00 0.00 175.10 174.15 2dlg s HIS 69 N 2.77 2.73 -0.03 5.22 3.76 -1.03 -2.78 115.29 125.93 2dlg s HIS 69 Ca 0.24 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.67 2dlg s HIS 69 Cb -0.14 -2.22 0.03 0.00 1.11 0.00 0.00 32.58 31.35 2dlg s HIS 69 CO 0.17 -0.20 0.03 0.99 -0.85 0.00 0.00 174.74 174.88 2dlg s THR 70 N -2.44 0.04 -0.51 1.30 2.01 -0.14 -2.34 115.64 113.55 2dlg s THR 70 Ca 0.50 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.50 2dlg s THR 70 Cb -0.05 -0.20 0.04 0.00 0.01 0.00 0.00 72.50 72.31 2dlg s THR 70 CO 0.29 0.15 0.82 -0.69 -0.69 0.00 0.00 174.62 174.50 2dlg s VAL 71 N 1.45 4.58 -0.55 3.82 1.01 0.50 -1.66 120.40 129.56 2dlg s VAL 71 Ca -0.04 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2dlg s VAL 71 Cb -0.13 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.90 2dlg s VAL 71 CO -0.03 -0.94 0.72 -0.44 0.00 0.00 0.00 175.10 174.41 2dlg s SER 72 N 2.63 6.23 -0.49 3.32 0.01 -0.62 -1.19 113.70 123.59 2dlg s SER 72 Ca 0.26 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.48 2dlg s SER 72 Cb -0.14 -2.33 0.13 0.00 0.21 0.00 0.00 66.02 63.89 2dlg s SER 72 CO 0.18 -1.04 0.36 -0.69 0.41 0.00 0.00 173.24 172.47 2dlg s VAL 73 N 2.96 4.21 0.12 3.43 1.01 -1.26 -2.33 120.40 128.54 2dlg s VAL 73 Ca 0.17 -1.89 0.05 0.00 0.00 0.00 0.00 61.98 60.31 2dlg s VAL 73 Cb -0.19 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2dlg s VAL 73 CO 0.12 -0.79 0.04 -0.54 0.00 0.00 0.00 175.10 173.93 2dlg s LYS 74 N 1.23 2.65 -0.16 2.72 1.02 -1.06 -2.68 119.74 123.45 2dlg s LYS 74 Ca 0.07 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 2dlg s LYS 74 Cb -0.25 -2.56 0.06 0.00 -0.52 0.00 0.00 37.83 34.56 2dlg s LYS 74 CO -0.01 0.52 0.07 -0.47 -0.92 0.00 0.00 175.35 174.54 2dlg s TYR 75 N -1.50 0.37 -1.70 3.18 5.04 0.41 -3.60 117.35 119.55 2dlg s TYR 75 Ca 0.28 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 2dlg s TYR 75 Cb -0.11 -0.75 0.00 0.00 0.35 0.00 0.00 41.96 41.45 2dlg s TYR 75 CO 0.20 -0.50 0.00 0.54 -1.34 0.00 0.00 175.55 174.45 2dlg n ARG 76 N 5.23 -1.72 -1.79 4.97 1.74 -1.26 -1.93 116.66 121.90 2dlg n ARG 76 Ca -0.07 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 57.97 2dlg n ARG 76 Cb 0.49 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 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 -0.81 0.95 3.27 -0.13 0.00 -1.26 -5.08 105.19 102.13 2dlg n GLY 77 Ca -0.21 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.60 0.37 -0.09 1.61 -2.07 -0.81 -5.13 119.66 109.93 2dlg s GLN 78 Ca 0.00 0.87 -0.30 0.00 -1.82 0.00 0.00 55.36 54.11 2dlg s GLN 78 Cb 0.00 0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.97 2dlg s GLN 78 CO 0.00 -0.19 1.32 -1.01 -1.32 0.00 0.00 175.29 174.09 2dlg s HIS 79 N 1.80 2.83 1.29 9.60 3.76 -1.26 -0.45 115.29 132.86 2dlg s HIS 79 Ca -0.07 0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 55.60 2dlg s HIS 79 Cb -0.10 -3.56 0.33 0.00 1.11 0.00 0.00 32.58 30.36 2dlg s HIS 79 CO -0.13 -2.00 0.98 0.14 -0.85 0.00 0.00 174.74 172.88 2dlg s VAL 80 N 3.02 1.70 -0.10 -0.90 -7.23 -1.09 -4.87 120.40 110.92 2dlg s VAL 80 Ca 0.59 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 2dlg s VAL 80 Cb -0.26 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 2dlg s VAL 80 CO 0.21 0.00 1.69 -0.89 -0.31 0.00 0.00 175.10 175.79 2dlg s THR 81 N -2.34 3.56 0.00 5.32 2.01 -1.26 -2.79 115.64 120.13 2dlg s THR 81 Ca 0.69 0.66 0.00 0.00 0.31 0.00 0.00 61.69 63.34 2dlg s THR 81 Cb -0.21 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2dlg s THR 81 CO 0.63 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 2dlg n GLY 82 N 4.38 3.07 3.77 4.40 0.00 -1.26 -5.05 105.19 114.49 2dlg n GLY 82 Ca 0.18 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 2dlg n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlg s SER 83 N 0.00 5.35 0.43 1.61 1.04 -1.12 -4.18 113.70 116.84 2dlg s SER 83 Ca 0.00 2.17 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 2dlg s SER 83 Cb 0.00 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 2dlg s SER 83 CO 0.00 -1.47 1.18 -2.16 0.98 0.00 0.00 173.24 171.77 2dlg s PRO 84 N -3.57 3.91 -0.36 4.02 0.04 -1.26 -4.62 135.00 133.17 2dlg s PRO 84 Ca 0.72 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.45 2dlg s PRO 84 Cb -0.24 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 2dlg s PRO 84 CO 0.33 -0.44 0.28 -0.06 0.04 0.00 0.00 177.00 177.15 2dlg s PHE 85 N -1.46 3.23 0.11 0.56 0.08 -0.33 -4.90 117.98 115.26 2dlg s PHE 85 Ca 0.60 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 2dlg s PHE 85 Cb -0.30 -2.54 -0.06 0.00 -0.57 0.00 0.00 43.02 39.54 2dlg s PHE 85 CO 0.38 -0.42 0.46 -1.14 -0.10 0.00 0.00 175.22 174.40 2dlg s GLN 86 N 1.78 3.85 -0.10 0.44 0.74 -1.26 -0.37 119.66 124.73 2dlg s GLN 86 Ca 0.07 0.30 -0.18 0.00 0.05 0.00 0.00 55.36 55.60 2dlg s GLN 86 Cb -0.18 -2.95 0.04 0.00 1.10 0.00 0.00 33.01 31.02 2dlg s GLN 86 CO 0.11 0.52 0.44 -0.59 -0.55 0.00 0.00 175.29 175.21 2dlg s PHE 87 N -1.44 -0.41 -0.09 1.67 -0.12 -0.99 -4.99 117.98 111.60 2dlg s PHE 87 Ca 0.36 0.87 -0.02 0.00 -0.05 0.00 0.00 56.93 58.08 2dlg s PHE 87 Cb -0.14 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 2dlg s PHE 87 CO 0.19 -0.35 0.00 0.99 -0.05 0.00 0.00 175.22 176.00 2dlg s THR 88 N -0.54 4.31 0.02 -4.49 2.01 -1.26 -2.46 115.64 113.23 2dlg s THR 88 Ca -0.07 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 2dlg s THR 88 Cb -0.03 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 2dlg s THR 88 CO 0.03 0.59 0.16 -0.69 -0.69 0.00 0.00 174.62 174.02 2dlg s VAL 89 N -0.76 5.17 0.00 3.82 1.01 -1.20 -3.91 120.40 124.52 2dlg s VAL 89 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2dlg s VAL 89 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2dlg s VAL 89 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2dlg n GLY 90 N 0.76 7.15 3.77 4.51 0.00 -1.19 -3.78 105.19 116.41 2dlg n GLY 90 Ca -0.09 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 1.23 4.43 0.66 1.61 0.04 -1.26 -3.60 135.00 138.12 2dlg s PRO 91 Ca 0.00 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.32 2dlg s PRO 91 Cb 0.00 -3.08 1.29 0.00 0.04 0.00 0.00 34.50 32.75 2dlg s PRO 91 CO 0.00 -0.06 1.73 1.37 0.04 0.00 0.00 177.00 180.08 2dlg h LEU 92 N 3.47 0.00 -7.00 -3.56 -0.00 -1.95 -3.42 115.31 102.85 2dlg h LEU 92 Ca -0.48 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 57.58 2dlg h LEU 92 Cb 1.22 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.65 2dlg h LEU 92 CO 0.66 0.00 0.75 -0.83 -0.00 0.00 0.00 178.44 179.02 2dlg s GLY 93 N -3.60 -0.16 -0.48 0.17 0.00 -1.26 -4.86 107.32 97.13 2dlg s GLY 93 Ca -0.03 2.13 0.08 0.00 0.00 0.00 0.00 44.72 46.91 2dlg s GLY 93 CO 0.22 0.89 0.91 -2.21 0.00 0.00 0.00 173.10 172.90 2dlg n GLU 94 N 0.39 2.44 -3.70 2.90 4.07 -1.26 -5.07 120.64 120.40 2dlg n GLU 94 Ca -0.04 -4.25 -0.09 0.00 -0.06 0.00 0.00 57.16 52.72 2dlg n GLU 94 Cb 0.59 -2.00 -0.02 0.00 -0.06 0.00 0.00 31.44 29.94 2dlg n GLU 94 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2dlg s GLY 95 N -3.15 -0.24 0.52 8.31 0.00 -1.26 -5.18 107.32 106.31 2dlg s GLY 95 Ca 0.44 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 45.17 2dlg s GLY 95 CO -0.11 -0.05 0.40 -0.32 0.00 0.00 0.00 173.10 173.02 2dlg s GLY 96 N -2.86 2.32 0.16 0.20 0.00 -1.26 -5.14 107.32 100.74 2dlg s GLY 96 Ca 0.08 -1.42 0.07 0.00 0.00 0.00 0.00 44.72 43.44 2dlg s GLY 96 CO -0.01 -1.90 0.02 -1.35 0.00 0.00 0.00 173.10 169.86 2dlg s SER 97 N -4.26 4.92 0.00 1.64 1.04 -1.26 -5.14 113.70 110.65 2dlg s SER 97 Ca 0.37 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2dlg s SER 97 Cb -0.02 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.99 2dlg s SER 97 CO 0.23 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2dlg n GLY 98 N -0.07 5.19 3.56 7.32 0.00 -1.26 -5.04 105.19 114.90 2dlg n GLY 98 Ca -0.10 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 2dlg n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlg s PRO 99 N -0.89 2.57 -0.55 1.61 0.04 -1.26 -4.93 135.00 131.59 2dlg s PRO 99 Ca 0.00 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.74 2dlg s PRO 99 Cb 0.00 -4.95 0.13 0.00 0.04 0.00 0.00 34.50 29.72 2dlg s PRO 99 CO 0.00 -3.27 0.52 0.45 0.04 0.00 0.00 177.00 174.74 2dlg s SER 100 N 8.05 6.21 -0.12 6.66 0.15 -1.26 -4.92 113.70 128.47 2dlg s SER 100 Ca 0.70 -1.80 -0.06 0.00 0.70 0.00 0.00 55.95 55.48 2dlg s SER 100 Cb -0.08 -2.21 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 2dlg s SER 100 CO 0.03 -0.86 0.09 0.28 1.20 0.00 0.00 173.24 173.98 2dlg h SER 101 N 8.87 0.00 0.00 5.45 0.02 -2.08 -3.56 113.55 122.25 2dlg h SER 101 Ca -0.29 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2dlg h SER 101 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dlg h SER 101 CO 1.03 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.98