#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc s SER 2 N 0.00 4.78 0.14 1.61 0.15 -1.26 -4.93 113.70 114.20 2dnc s SER 2 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2dnc s SER 2 Cb 0.00 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2dnc s SER 2 CO 0.00 -0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.22 2dnc n SER 3 N 4.82 0.69 0.00 5.45 7.64 -1.26 -5.13 113.62 125.84 2dnc n SER 3 Ca -0.17 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2dnc n SER 3 Cb 0.51 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2dnc n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnc n GLY 4 N 2.90 0.41 1.17 0.23 0.00 -1.26 -5.05 105.19 103.60 2dnc n GLY 4 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2dnc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dnc n SER 5 N 4.55 -5.50 -4.26 1.61 2.88 -1.26 -4.92 113.62 106.72 2dnc n SER 5 Ca 0.00 0.67 -0.35 0.00 -1.33 0.00 0.00 58.87 57.87 2dnc n SER 5 Cb 0.00 -2.72 0.08 0.00 -0.75 0.00 0.00 64.21 60.82 2dnc n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnc n SER 6 N 0.68 -3.51 0.00 -3.46 2.88 -1.26 -4.93 113.62 104.02 2dnc n SER 6 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2dnc n SER 6 Cb 0.00 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2dnc n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnc n GLY 7 N 2.30 1.75 3.37 0.46 0.00 -1.26 -5.01 105.19 106.79 2dnc n GLY 7 Ca 0.04 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2dnc n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dnc s ILE 8 N -1.52 4.69 -0.23 -0.61 1.01 -0.69 -4.94 121.20 118.92 2dnc s ILE 8 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.39 2dnc s ILE 8 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2dnc s ILE 8 CO 0.00 -0.36 0.97 -1.59 0.00 0.00 0.00 174.94 173.96 2dnc s LYS 9 N 1.56 4.25 -0.31 2.79 -2.85 -1.26 -0.25 119.74 123.65 2dnc s LYS 9 Ca 0.03 1.22 -0.23 0.00 -1.00 0.00 0.00 55.97 55.99 2dnc s LYS 9 Cb -0.21 -3.63 0.00 0.00 -2.06 0.00 0.00 37.83 31.93 2dnc s LYS 9 CO 0.06 -0.57 0.76 0.42 0.10 0.00 0.00 175.35 176.12 2dnc s ILE 10 N 2.99 4.81 0.01 3.79 1.01 0.75 -5.00 121.20 129.56 2dnc s ILE 10 Ca 0.41 1.09 0.03 0.00 0.00 0.00 0.00 60.65 62.18 2dnc s ILE 10 Cb -0.15 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2dnc s ILE 10 CO 0.07 -0.26 -0.05 -0.76 0.00 0.00 0.00 174.94 173.94 2dnc s LEU 11 N 2.92 3.24 -0.26 2.97 1.43 -1.26 -1.27 118.68 126.45 2dnc s LEU 11 Ca 0.31 -0.12 -0.34 0.00 -1.03 0.00 0.00 54.13 52.94 2dnc s LEU 11 Cb -0.14 -1.86 -0.11 0.00 0.03 0.00 0.00 46.19 44.11 2dnc s LEU 11 CO 0.13 0.28 2.08 0.80 0.23 0.00 0.00 176.35 179.87 2dnc n MET 12 N 1.49 1.49 -1.56 1.70 0.00 -0.82 -4.84 117.12 114.58 2dnc n MET 12 Ca -0.15 0.47 -0.30 0.00 -0.00 0.00 0.00 57.70 57.71 2dnc n MET 12 Cb 0.53 -2.59 0.07 0.00 0.00 0.00 0.00 33.22 31.22 2dnc n MET 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2dnc s PRO 13 N 5.46 2.54 -1.00 2.12 0.04 -1.26 -3.42 135.00 139.49 2dnc s PRO 13 Ca 1.03 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2dnc s PRO 13 Cb -0.76 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 31.92 2dnc s PRO 13 CO 0.49 -1.34 2.54 -1.13 0.04 0.00 0.00 177.00 177.60 2dnc n SER 14 N -3.27 7.46 -0.38 6.66 3.41 -1.26 -4.75 113.62 121.48 2dnc n SER 14 Ca 0.07 -3.16 -0.03 0.00 -0.26 0.00 0.00 58.87 55.50 2dnc n SER 14 Cb 0.55 -1.32 0.01 0.00 -0.26 0.00 0.00 64.21 63.20 2dnc n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dnc n LEU 15 N 1.42 -0.71 -4.84 1.04 4.77 -1.26 -4.33 117.00 113.10 2dnc n LEU 15 Ca 0.57 1.71 -0.32 0.00 -0.03 0.00 0.00 56.01 57.94 2dnc n LEU 15 Cb 0.36 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2dnc n LEU 15 CO 0.55 -1.51 0.56 -0.44 -1.33 0.00 0.00 177.39 175.23 2dnc s SER 16 N -5.38 6.76 0.20 -1.43 0.01 -1.26 -4.96 113.70 107.64 2dnc s SER 16 Ca -0.13 1.47 0.24 0.00 1.31 0.00 0.00 55.95 58.84 2dnc s SER 16 Cb 0.18 -2.46 0.91 0.00 0.21 0.00 0.00 66.02 64.86 2dnc s SER 16 CO 0.68 -0.38 1.74 -0.81 0.41 0.00 0.00 173.24 174.88 2dnc n PRO 17 N -0.89 0.19 -2.90 12.44 -0.04 -1.26 -3.77 135.00 138.77 2dnc n PRO 17 Ca 0.05 0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2dnc n PRO 17 Cb 0.54 -1.79 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 2dnc n PRO 17 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dnc n THR 18 N -2.13 0.19 -4.10 0.52 -2.24 -1.26 -5.09 114.28 100.16 2dnc n THR 18 Ca 0.04 -3.19 -0.34 0.00 -2.27 0.00 0.00 64.05 58.29 2dnc n THR 18 Cb 0.32 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.90 2dnc n THR 18 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2dnc s MET 19 N -1.74 3.39 0.16 -0.78 0.00 -1.25 -4.97 119.30 114.11 2dnc s MET 19 Ca 0.31 -0.63 0.14 0.00 0.00 0.00 0.00 55.69 55.51 2dnc s MET 19 Cb 0.37 -2.93 -0.07 0.00 0.00 0.00 0.00 34.83 32.21 2dnc s MET 19 CO -0.04 -0.09 1.14 1.49 0.00 0.00 0.00 175.02 177.52 2dnc h GLU 20 N 7.75 0.00 -2.46 4.11 4.81 -1.97 -3.47 114.58 123.36 2dnc h GLU 20 Ca -0.38 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.01 2dnc h GLU 20 Cb 1.17 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2dnc h GLU 20 CO 0.60 0.49 0.50 -1.83 -0.73 0.00 0.00 179.01 178.04 2dnc s GLU 21 N -2.89 1.32 0.29 1.92 -1.05 -1.26 -3.30 118.70 113.73 2dnc s GLU 21 Ca 0.00 -0.79 -0.02 0.00 -0.15 0.00 0.00 54.97 54.02 2dnc s GLU 21 Cb 0.08 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.17 2dnc s GLU 21 CO 0.79 -0.61 0.35 0.20 0.95 0.00 0.00 175.26 176.93 2dnc s GLY 22 N -3.10 1.45 -0.08 -3.83 0.00 -0.59 -4.81 107.32 96.35 2dnc s GLY 22 Ca 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.33 2dnc s GLY 22 CO 0.04 -1.12 -0.07 -1.31 0.00 0.00 0.00 173.10 170.64 2dnc s ASN 23 N -3.20 1.70 -0.61 1.64 0.01 -1.16 0.19 114.94 113.51 2dnc s ASN 23 Ca 0.33 -0.23 -0.28 0.00 -0.71 0.00 0.00 52.86 51.98 2dnc s ASN 23 Cb 0.02 -0.68 0.02 0.00 0.41 0.00 0.00 41.25 41.01 2dnc s ASN 23 CO 0.17 -0.08 1.38 -0.63 -1.51 0.00 0.00 177.10 176.43 2dnc s ILE 24 N 1.31 3.78 0.03 0.60 1.01 -1.25 -0.03 121.20 126.64 2dnc s ILE 24 Ca -0.04 0.62 -0.23 0.00 0.00 0.00 0.00 60.65 61.00 2dnc s ILE 24 Cb -0.14 -4.56 -0.13 0.00 0.01 0.00 0.00 42.46 37.65 2dnc s ILE 24 CO -0.03 -1.34 1.25 0.58 0.00 0.00 0.00 174.94 175.40 2dnc h VAL 25 N 6.30 0.00 -3.42 2.92 2.07 -0.84 -0.90 116.25 122.38 2dnc h VAL 25 Ca -0.27 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2dnc h VAL 25 Cb 1.08 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.70 2dnc h VAL 25 CO 1.21 0.00 -0.24 -0.75 0.02 0.00 0.00 177.57 177.81 2dnc s LYS 26 N -4.63 0.86 -0.22 1.57 2.20 -1.26 -2.87 119.74 115.40 2dnc s LYS 26 Ca -0.12 -0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 54.68 2dnc s LYS 26 Cb 0.01 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 2dnc s LYS 26 CO 0.36 -0.29 0.50 -1.58 -0.36 0.00 0.00 175.35 173.98 2dnc s TRP 27 N -3.04 3.33 -1.93 4.03 0.52 -1.26 -1.53 118.94 119.06 2dnc s TRP 27 Ca -0.02 0.70 0.30 0.00 0.02 0.00 0.00 56.10 57.10 2dnc s TRP 27 Cb 0.01 -2.67 1.45 0.00 -1.15 0.00 0.00 33.47 31.11 2dnc s TRP 27 CO -0.06 -0.16 1.98 1.28 0.02 0.00 0.00 176.95 180.01 2dnc n LEU 28 N 5.02 0.48 -4.19 2.99 4.77 0.51 -4.82 117.00 121.77 2dnc n LEU 28 Ca -0.05 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 2dnc n LEU 28 Cb 0.50 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2dnc n LEU 28 CO 0.41 0.08 -0.40 -0.54 -1.33 0.00 0.00 177.39 175.62 2dnc s LYS 29 N -2.21 0.88 0.27 3.23 1.02 -0.85 -4.91 119.74 117.16 2dnc s LYS 29 Ca 0.38 -1.32 0.10 0.00 0.02 0.00 0.00 55.97 55.15 2dnc s LYS 29 Cb 0.21 -0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.12 2dnc s LYS 29 CO 0.41 0.02 -0.07 0.15 -0.92 0.00 0.00 175.35 174.94 2dnc s LYS 30 N -3.60 2.09 0.02 1.68 -0.14 -1.26 -5.05 119.74 113.48 2dnc s LYS 30 Ca 0.11 -1.52 -0.30 0.00 -1.36 0.00 0.00 55.97 52.90 2dnc s LYS 30 Cb 0.03 -2.04 -0.07 0.00 -1.68 0.00 0.00 37.83 34.07 2dnc s LYS 30 CO -0.03 0.36 1.53 -1.21 -0.76 0.00 0.00 175.35 175.24 2dnc s GLU 31 N -3.58 4.24 0.00 1.68 2.02 -1.26 -2.01 118.70 119.78 2dnc s GLU 31 Ca 0.31 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.43 2dnc s GLU 31 Cb -0.06 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.54 2dnc s GLU 31 CO 0.18 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.20 2dnc n GLY 32 N 3.84 3.01 3.81 -1.39 0.00 0.24 -5.01 105.19 109.68 2dnc n GLY 32 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2dnc n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 33 N -0.62 2.80 0.66 1.61 2.02 -0.85 -4.56 118.70 119.77 2dnc s GLU 33 Ca 0.00 1.03 -0.09 0.00 0.02 0.00 0.00 54.97 55.92 2dnc s GLU 33 Cb 0.00 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 32.27 2dnc s GLU 33 CO 0.00 -1.21 1.03 0.00 0.02 0.00 0.00 175.26 175.10 2dnc s ALA 34 N -2.97 3.04 0.00 5.21 0.00 -1.26 0.99 121.76 126.77 2dnc s ALA 34 Ca 0.59 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2dnc s ALA 34 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 2dnc s ALA 34 CO 0.54 -1.02 0.05 0.08 0.00 0.00 0.00 175.76 175.42 2dnc s VAL 35 N -3.23 0.08 0.12 0.00 1.01 0.51 -4.73 120.40 114.16 2dnc s VAL 35 Ca 0.57 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2dnc s VAL 35 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2dnc s VAL 35 CO 0.49 -0.35 -0.11 -0.55 0.00 0.00 0.00 175.10 174.58 2dnc s SER 36 N -1.13 1.68 0.35 3.32 0.15 -1.26 -0.81 113.70 116.00 2dnc s SER 36 Ca -0.12 -0.88 -0.28 0.00 0.70 0.00 0.00 55.95 55.36 2dnc s SER 36 Cb -0.07 -0.01 -0.11 0.00 -1.71 0.00 0.00 66.02 64.12 2dnc s SER 36 CO 0.00 -0.26 1.38 0.00 1.20 0.00 0.00 173.24 175.56 2dnc s ALA 37 N -2.70 3.52 -0.99 5.45 0.00 -1.25 -2.77 121.76 123.02 2dnc s ALA 37 Ca 0.10 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 2dnc s ALA 37 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2dnc s ALA 37 CO 0.01 -0.82 0.85 0.41 0.00 0.00 0.00 175.76 176.21 2dnc n GLY 38 N 0.65 -0.18 3.21 0.00 0.00 0.18 -4.90 105.19 104.15 2dnc n GLY 38 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2dnc n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnc s ASP 39 N -3.52 2.26 -0.13 1.61 1.11 -1.12 -4.86 116.67 112.03 2dnc s ASP 39 Ca 0.29 -0.42 -0.29 0.00 0.18 0.00 0.00 52.55 52.31 2dnc s ASP 39 Cb -0.13 -0.22 -0.04 0.00 1.07 0.00 0.00 42.92 43.60 2dnc s ASP 39 CO 0.55 0.19 1.61 0.00 1.18 0.00 0.00 175.17 178.70 2dnc s ALA 40 N -0.62 3.49 -0.22 5.23 0.00 -1.26 -1.44 121.76 126.94 2dnc s ALA 40 Ca 0.07 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 2dnc s ALA 40 Cb -0.08 -3.77 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 2dnc s ALA 40 CO 0.00 -1.58 -0.29 1.28 0.00 0.00 0.00 175.76 175.17 2dnc n LEU 41 N 7.60 1.93 -4.01 0.00 4.77 0.50 -4.68 117.00 123.11 2dnc n LEU 41 Ca 0.18 0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 2dnc n LEU 41 Cb 0.44 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2dnc n LEU 41 CO 0.62 0.15 0.15 0.00 -1.33 0.00 0.00 177.39 176.99 2dnc s GLU 43 N -4.02 3.54 -0.01 0.00 2.02 -0.59 0.81 118.70 120.46 2dnc s GLU 43 Ca 0.24 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.50 2dnc s GLU 43 Cb -0.00 -3.80 -0.06 0.00 0.10 0.00 0.00 34.13 30.38 2dnc s GLU 43 CO 0.09 -0.45 0.43 0.42 0.02 0.00 0.00 175.26 175.78 2dnc s ILE 44 N 1.79 5.03 -0.16 -1.63 -1.09 0.13 -0.15 121.20 125.12 2dnc s ILE 44 Ca 0.07 0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 59.24 2dnc s ILE 44 Cb -0.17 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 2dnc s ILE 44 CO 0.11 0.54 0.27 -0.70 -1.23 0.00 0.00 174.94 173.93 2dnc s GLU 45 N -0.83 4.22 0.01 2.79 2.12 0.95 -2.03 118.70 125.94 2dnc s GLU 45 Ca 0.24 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.63 2dnc s GLU 45 Cb -0.17 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 2dnc s GLU 45 CO 0.13 0.27 -0.03 0.95 -0.54 0.00 0.00 175.26 176.04 2dnc s THR 46 N 0.39 0.15 0.40 -1.70 -4.23 -1.08 -3.00 115.64 106.57 2dnc s THR 46 Ca 0.16 -0.41 0.18 0.00 -1.18 0.00 0.00 61.69 60.43 2dnc s THR 46 Cb -0.13 -0.20 0.39 0.00 1.34 0.00 0.00 72.50 73.90 2dnc s THR 46 CO 0.03 -0.17 1.80 0.44 -0.54 0.00 0.00 174.62 176.18 2dnc h ASP 47 N 5.52 0.44 0.23 3.99 3.32 -1.97 -1.64 116.42 126.30 2dnc h ASP 47 Ca -0.28 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2dnc h ASP 47 Cb 1.21 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2dnc h ASP 47 CO 0.47 0.12 -0.17 0.11 -1.72 0.00 0.00 179.24 178.05 2dnc h LYS 48 N 0.40 -0.36 0.00 3.56 1.79 -1.98 -3.48 116.57 116.49 2dnc h LYS 48 Ca 0.56 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 2dnc h LYS 48 Cb 1.41 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 2dnc h LYS 48 CO -0.26 -0.24 0.00 0.00 -1.08 0.00 0.00 179.45 177.87 2dnc n ALA 49 N -2.35 0.00 -2.63 3.86 0.00 -0.62 -5.11 120.51 113.65 2dnc n ALA 49 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2dnc n ALA 49 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 2dnc n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dnc s VAL 50 N -2.67 4.50 0.34 0.00 0.11 -1.26 -2.64 120.40 118.78 2dnc s VAL 50 Ca 0.00 0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 2dnc s VAL 50 Cb 0.00 -4.46 -0.04 0.00 -1.53 0.00 0.00 36.38 30.35 2dnc s VAL 50 CO 0.00 -0.98 0.13 0.68 -3.33 0.00 0.00 175.10 171.60 2dnc s VAL 51 N 3.66 2.98 0.08 2.04 -7.23 -0.86 -5.02 120.40 116.05 2dnc s VAL 51 Ca 0.29 -1.72 0.09 0.00 -1.81 0.00 0.00 61.98 58.83 2dnc s VAL 51 Cb -0.13 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 2dnc s VAL 51 CO 0.20 -0.18 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.66 2dnc s THR 52 N -2.43 2.05 -0.04 5.32 2.01 -1.26 0.19 115.64 121.47 2dnc s THR 52 Ca 0.37 -1.48 -0.25 0.00 0.31 0.00 0.00 61.69 60.64 2dnc s THR 52 Cb -0.02 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 2dnc s THR 52 CO 0.22 0.21 0.76 -0.22 -0.69 0.00 0.00 174.62 174.91 2dnc s LEU 53 N -1.54 4.35 0.11 4.42 0.20 0.24 -4.77 118.68 121.69 2dnc s LEU 53 Ca 0.11 1.32 0.05 0.00 0.69 0.00 0.00 54.13 56.30 2dnc s LEU 53 Cb -0.10 -3.20 -0.04 0.00 -0.43 0.00 0.00 46.19 42.42 2dnc s LEU 53 CO 0.03 -0.13 0.05 1.51 -0.29 0.00 0.00 176.35 177.53 2dnc s ASP 54 N 0.72 5.24 0.25 3.68 1.47 -1.26 -0.37 116.67 126.40 2dnc s ASP 54 Ca 0.40 -0.15 -0.22 0.00 1.18 0.00 0.00 52.55 53.77 2dnc s ASP 54 Cb -0.19 -1.31 -0.09 0.00 -0.34 0.00 0.00 42.92 41.00 2dnc s ASP 54 CO 0.21 0.14 0.80 0.00 0.68 0.00 0.00 175.17 177.00 2dnc s ALA 55 N -1.48 3.35 -0.04 2.11 0.00 -0.52 -4.86 121.76 120.32 2dnc s ALA 55 Ca 0.28 0.29 0.22 0.00 0.00 0.00 0.00 51.96 52.75 2dnc s ALA 55 Cb -0.11 -2.95 -0.33 0.00 0.00 0.00 0.00 23.12 19.73 2dnc s ALA 55 CO 0.20 0.28 0.46 0.45 0.00 0.00 0.00 175.76 177.15 2dnc n SER 56 N 0.73 0.04 -4.13 0.00 2.88 -1.26 0.51 113.62 112.39 2dnc n SER 56 Ca -0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2dnc n SER 56 Cb 0.51 1.94 -0.10 0.00 -0.75 0.00 0.00 64.21 65.81 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dnc s ASP 57 N -4.55 0.78 -0.25 -3.46 1.01 -1.26 -4.76 116.67 104.18 2dnc s ASP 57 Ca -0.08 -1.00 -0.12 0.00 0.71 0.00 0.00 52.55 52.05 2dnc s ASP 57 Cb 0.14 0.15 -0.05 0.00 1.01 0.00 0.00 42.92 44.17 2dnc s ASP 57 CO 0.90 -0.54 0.24 -1.81 0.21 0.00 0.00 175.17 174.17 2dnc s ASP 58 N -2.98 6.15 0.21 0.27 1.11 -1.26 -3.89 116.67 116.29 2dnc s ASP 58 Ca 0.09 0.16 -0.22 0.00 0.18 0.00 0.00 52.55 52.76 2dnc s ASP 58 Cb 0.07 -2.15 0.07 0.00 1.07 0.00 0.00 42.92 41.98 2dnc s ASP 58 CO -0.08 -0.04 0.97 -0.83 1.18 0.00 0.00 175.17 176.37 2dnc s GLY 59 N 1.42 0.06 0.05 0.21 0.00 0.01 -4.75 107.32 104.31 2dnc s GLY 59 Ca 0.10 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 2dnc s GLY 59 CO 0.08 1.24 0.52 -0.42 0.00 0.00 0.00 173.10 174.53 2dnc s ILE 60 N -2.53 4.83 -0.89 0.90 -1.09 -0.49 0.19 121.20 122.12 2dnc s ILE 60 Ca 0.18 1.10 -0.25 0.00 -2.23 0.00 0.00 60.65 59.46 2dnc s ILE 60 Cb -0.03 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2dnc s ILE 60 CO 0.06 0.56 1.89 -0.22 -1.23 0.00 0.00 174.94 176.00 2dnc s LEU 61 N -1.05 3.20 0.03 2.97 0.20 0.28 -0.44 118.68 123.87 2dnc s LEU 61 Ca 0.27 -0.67 -0.11 0.00 0.69 0.00 0.00 54.13 54.31 2dnc s LEU 61 Cb -0.19 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 42.96 2dnc s LEU 61 CO 0.17 -2.61 1.18 0.00 -0.29 0.00 0.00 176.35 174.80 2dnc h ALA 62 N 11.42 -0.84 -2.79 5.97 0.00 0.62 0.67 119.26 134.32 2dnc h ALA 62 Ca 0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2dnc h ALA 62 Cb 1.02 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.15 2dnc h ALA 62 CO 1.23 -0.86 -0.34 -1.59 0.00 0.00 0.00 179.25 177.70 2dnc s LYS 63 N -3.91 1.56 -0.68 0.00 -2.85 -0.76 -4.34 119.74 108.76 2dnc s LYS 63 Ca -0.06 -1.60 0.05 0.00 -1.00 0.00 0.00 55.97 53.37 2dnc s LYS 63 Cb 0.01 0.38 0.18 0.00 -2.06 0.00 0.00 37.83 36.35 2dnc s LYS 63 CO 0.19 -0.61 0.51 -0.89 0.10 0.00 0.00 175.35 174.66 2dnc n ILE 64 N -0.42 1.52 -0.39 3.79 5.41 -1.26 -1.25 119.36 126.76 2dnc n ILE 64 Ca 0.01 -4.81 -0.10 0.00 1.00 0.00 0.00 62.75 58.85 2dnc n ILE 64 Cb 0.63 -2.15 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 2dnc n ILE 64 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2dnc n VAL 65 N 1.90 -0.63 -3.62 1.39 0.31 0.12 -3.65 118.33 114.16 2dnc n VAL 65 Ca 0.21 2.26 -0.40 0.00 -0.01 0.00 0.00 64.34 66.41 2dnc n VAL 65 Cb 0.36 -2.80 -0.11 0.00 -0.91 0.00 0.00 33.84 30.38 2dnc n VAL 65 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dnc s VAL 66 N -5.42 4.64 0.76 2.52 1.01 0.12 -4.95 120.40 119.09 2dnc s VAL 66 Ca -0.11 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2dnc s VAL 66 Cb 0.10 -3.47 0.18 0.00 0.00 0.00 0.00 36.38 33.19 2dnc s VAL 66 CO 0.57 -0.07 0.99 -0.62 0.00 0.00 0.00 175.10 175.97 2dnc n GLU 67 N 5.00 -1.17 -1.84 2.72 -0.58 -1.24 -4.78 120.64 118.75 2dnc n GLU 67 Ca -0.13 -1.53 -0.29 0.00 -0.42 0.00 0.00 57.16 54.79 2dnc n GLU 67 Cb 0.48 -1.06 0.08 0.00 -0.57 0.00 0.00 31.44 30.37 2dnc n GLU 67 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dnc s GLU 68 N -5.17 2.09 0.00 3.49 -1.05 -1.26 -3.93 118.70 112.87 2dnc s GLU 68 Ca 0.57 0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 2dnc s GLU 68 Cb -0.02 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 2dnc s GLU 68 CO 0.40 -1.53 0.00 0.41 0.95 0.00 0.00 175.26 175.49 2dnc n GLY 69 N -3.08 1.24 3.70 -3.83 0.00 -0.35 -5.01 105.19 97.86 2dnc n GLY 69 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2dnc n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 70 N -3.13 2.61 -0.15 1.61 0.15 -1.21 -4.99 113.70 108.59 2dnc s SER 70 Ca 0.00 1.03 -0.20 0.00 0.70 0.00 0.00 55.95 57.48 2dnc s SER 70 Cb 0.00 -1.62 0.05 0.00 -1.71 0.00 0.00 66.02 62.74 2dnc s SER 70 CO 0.00 -3.12 0.53 -1.59 1.20 0.00 0.00 173.24 170.26 2dnc s LYS 71 N -5.11 0.71 -0.42 5.44 0.00 -1.26 -3.89 119.74 115.21 2dnc s LYS 71 Ca 0.66 0.54 -0.06 0.00 0.00 0.00 0.00 55.97 57.10 2dnc s LYS 71 Cb -0.16 0.34 0.01 0.00 0.00 0.00 0.00 37.83 38.01 2dnc s LYS 71 CO 0.56 -0.13 0.47 0.09 0.00 0.00 0.00 175.35 176.34 2dnc n ASN 72 N 2.25 -6.30 -4.05 0.03 5.03 -1.16 -4.98 115.26 106.07 2dnc n ASN 72 Ca -0.16 0.18 -0.34 0.00 0.87 0.00 0.00 54.58 55.13 2dnc n ASN 72 Cb 0.56 -4.19 -0.10 0.00 -1.02 0.00 0.00 39.78 35.04 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2dnc s ILE 73 N -2.57 3.61 1.09 2.41 -1.09 0.50 -4.87 121.20 120.28 2dnc s ILE 73 Ca 0.09 -3.43 -0.18 0.00 -2.23 0.00 0.00 60.65 54.90 2dnc s ILE 73 Cb -0.03 -3.34 0.08 0.00 -1.58 0.00 0.00 42.46 37.60 2dnc s ILE 73 CO 0.56 -0.94 -0.01 -2.11 -1.23 0.00 0.00 174.94 171.21 2dnc n ARG 74 N 2.92 -1.33 -1.93 2.79 1.85 -1.26 -1.55 116.66 118.16 2dnc n ARG 74 Ca 0.13 -0.37 -0.32 0.00 -1.00 0.00 0.00 57.85 56.29 2dnc n ARG 74 Cb 0.36 -1.69 0.02 0.00 -1.05 0.00 0.00 32.46 30.10 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2dnc s LEU 75 N -0.78 3.39 -0.65 2.89 1.43 -1.21 -3.94 118.68 119.81 2dnc s LEU 75 Ca 0.55 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 55.32 2dnc s LEU 75 Cb -0.12 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.59 2dnc s LEU 75 CO 0.66 -1.18 0.57 0.61 0.23 0.00 0.00 176.35 177.25 2dnc n GLY 76 N -1.44 0.22 3.12 -3.19 0.00 -1.22 -4.92 105.19 97.76 2dnc n GLY 76 Ca 0.08 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2dnc n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 77 N -3.19 2.57 -0.10 1.61 0.01 -1.25 -4.88 113.70 108.47 2dnc s SER 77 Ca 0.26 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 2dnc s SER 77 Cb -0.12 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 2dnc s SER 77 CO 0.35 0.09 1.54 -0.76 0.41 0.00 0.00 173.24 174.86 2dnc s LEU 78 N 0.62 4.26 -0.07 2.44 1.43 -1.26 -1.94 118.68 124.16 2dnc s LEU 78 Ca -0.14 2.04 0.09 0.00 -1.03 0.00 0.00 54.13 55.09 2dnc s LEU 78 Cb -0.16 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.39 2dnc s LEU 78 CO 0.04 -0.89 0.09 2.30 0.23 0.00 0.00 176.35 178.12 2dnc n ILE 79 N 5.49 0.43 -3.50 -0.59 -5.35 -0.40 -3.84 119.36 111.61 2dnc n ILE 79 Ca 0.16 -0.34 -0.15 0.00 -0.27 0.00 0.00 62.75 62.16 2dnc n ILE 79 Cb 0.43 -0.42 -0.04 0.00 -1.74 0.00 0.00 39.64 37.87 2dnc n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2dnc s GLY 80 N -3.82 -0.54 -0.08 3.28 0.00 -1.24 0.15 107.32 105.06 2dnc s GLY 80 Ca -0.04 1.15 0.05 0.00 0.00 0.00 0.00 44.72 45.88 2dnc s GLY 80 CO 0.39 0.69 -0.24 -2.27 0.00 0.00 0.00 173.10 171.68 2dnc s LEU 81 N -1.73 2.07 0.21 0.66 1.98 -0.38 -0.17 118.68 121.31 2dnc s LEU 81 Ca -0.05 -0.53 0.04 0.00 -2.89 0.00 0.00 54.13 50.70 2dnc s LEU 81 Cb -0.00 -1.37 -0.03 0.00 0.66 0.00 0.00 46.19 45.44 2dnc s LEU 81 CO 0.01 0.18 0.31 -0.63 -1.89 0.00 0.00 176.35 174.33 2dnc s ILE 82 N 0.18 5.15 -0.01 6.68 1.01 0.65 0.12 121.20 134.97 2dnc s ILE 82 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2dnc s ILE 82 Cb -0.16 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2dnc s ILE 82 CO 0.07 -0.24 0.02 0.68 0.00 0.00 0.00 174.94 175.46 2dnc s VAL 83 N -1.91 -0.02 -0.30 2.92 -7.23 0.42 -1.70 120.40 112.57 2dnc s VAL 83 Ca 0.34 0.15 -0.41 0.00 -1.81 0.00 0.00 61.98 60.24 2dnc s VAL 83 Cb -0.10 -0.08 -0.19 0.00 0.56 0.00 0.00 36.38 36.58 2dnc s VAL 83 CO 0.28 0.07 1.32 -0.62 -0.31 0.00 0.00 175.10 175.83 2dnc n GLU 84 N 3.86 0.00 -1.32 4.82 4.71 -1.26 -1.40 120.64 130.06 2dnc n GLU 84 Ca -0.23 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.47 2dnc n GLU 84 Cb 0.53 -1.39 -0.03 0.00 -1.01 0.00 0.00 31.44 29.54 2dnc n GLU 84 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2dnc n GLU 85 N 2.91 0.00 -2.75 3.49 1.02 -1.26 -3.12 120.64 120.93 2dnc n GLU 85 Ca 0.25 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.34 2dnc n GLU 85 Cb -0.01 -0.94 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dnc n GLY 86 N 1.91 -0.85 3.23 0.62 0.00 -1.26 -5.02 105.19 103.81 2dnc n GLY 86 Ca 0.17 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 2dnc n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dnc s GLU 87 N -3.48 0.89 -1.01 1.61 0.41 -1.18 -5.07 118.70 110.87 2dnc s GLU 87 Ca 0.16 -0.88 -0.24 0.00 -0.41 0.00 0.00 54.97 53.60 2dnc s GLU 87 Cb -0.02 0.37 -0.06 0.00 -1.78 0.00 0.00 34.13 32.64 2dnc s GLU 87 CO 0.56 -0.30 1.94 -0.51 -0.49 0.00 0.00 175.26 176.46 2dnc s ASP 88 N -2.80 5.11 -0.15 -0.19 1.11 -1.26 -4.67 116.67 113.82 2dnc s ASP 88 Ca 0.04 -1.05 -0.21 0.00 0.18 0.00 0.00 52.55 51.50 2dnc s ASP 88 Cb 0.04 -2.57 -0.19 0.00 1.07 0.00 0.00 42.92 41.27 2dnc s ASP 88 CO -0.11 -2.86 0.46 4.11 1.18 0.00 0.00 175.17 177.95 2dnc h TRP 89 N 10.69 0.00 -3.71 4.23 5.08 -1.96 -3.46 115.95 126.82 2dnc h TRP 89 Ca 0.14 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.61 2dnc h TRP 89 Cb 0.98 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.13 2dnc h TRP 89 CO 1.22 0.88 0.39 -1.59 -1.28 0.00 0.00 178.44 178.06 2dnc s LYS 90 N -2.14 4.76 -0.22 0.12 -2.85 -1.26 -4.93 119.74 113.21 2dnc s LYS 90 Ca -0.18 1.57 -0.30 0.00 -1.00 0.00 0.00 55.97 56.06 2dnc s LYS 90 Cb -0.00 -3.28 -0.07 0.00 -2.06 0.00 0.00 37.83 32.42 2dnc s LYS 90 CO 0.52 0.36 2.18 0.72 0.10 0.00 0.00 175.35 179.24 2dnc n HIS 91 N 1.74 1.95 -3.48 1.78 8.25 -1.26 -4.91 115.22 119.29 2dnc n HIS 91 Ca -0.01 -0.05 -0.18 0.00 -0.26 0.00 0.00 57.72 57.22 2dnc n HIS 91 Cb 0.47 -2.69 -0.12 0.00 1.12 0.00 0.00 29.99 28.77 2dnc n HIS 91 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dnc s VAL 92 N 7.59 -0.34 -1.04 1.59 1.01 -1.26 -5.08 120.40 122.86 2dnc s VAL 92 Ca 1.01 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2dnc s VAL 92 Cb -0.47 -0.72 0.11 0.00 0.00 0.00 0.00 36.38 35.29 2dnc s VAL 92 CO 0.40 -0.24 1.33 -0.44 0.00 0.00 0.00 175.10 176.15 2dnc s SER 93 N 2.34 6.69 0.00 3.32 0.01 -1.26 -4.80 113.70 119.99 2dnc s SER 93 Ca 0.08 -2.07 0.00 0.00 1.31 0.00 0.00 55.95 55.26 2dnc s SER 93 Cb -0.16 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2dnc s SER 93 CO -0.15 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 172.96 2dnc n GLY 94 N 5.66 3.08 3.62 3.44 0.00 -1.26 -4.94 105.19 114.79 2dnc n GLY 94 Ca 0.31 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 2dnc n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnc s PRO 95 N -4.07 3.83 -0.11 1.61 0.04 -1.26 -4.39 135.00 130.65 2dnc s PRO 95 Ca 0.00 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 2dnc s PRO 95 Cb 0.00 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.64 2dnc s PRO 95 CO 0.00 -1.23 0.15 0.45 0.04 0.00 0.00 177.00 176.40 2dnc n SER 96 N 7.96 -3.37 -4.55 6.66 2.88 -1.26 -4.78 113.62 117.15 2dnc n SER 96 Ca 0.15 1.20 -0.41 0.00 -1.33 0.00 0.00 58.87 58.49 2dnc n SER 96 Cb 0.47 -3.74 -0.03 0.00 -0.75 0.00 0.00 64.21 60.16 2dnc n SER 96 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnc s SER 97 N -0.39 6.11 0.00 -3.46 1.04 -1.26 -5.18 113.70 110.56 2dnc s SER 97 Ca -0.17 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2dnc s SER 97 Cb 0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dnc s SER 97 CO 0.46 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.43