#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc n SER 2 N 0.00 -3.49 0.03 1.61 7.64 -1.26 -5.03 113.62 113.13 2dnc n SER 2 Ca 0.00 -0.78 -0.00 0.00 1.01 0.00 0.00 58.87 59.10 2dnc n SER 2 Cb 0.00 -0.82 -0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2dnc n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dnc n SER 3 N -5.21 0.74 0.00 6.43 2.88 -1.26 -4.86 113.62 112.34 2dnc n SER 3 Ca 0.12 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2dnc n SER 3 Cb 0.49 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2dnc n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnc n GLY 4 N 3.32 4.30 0.05 0.46 0.00 -1.26 -4.83 105.19 107.22 2dnc n GLY 4 Ca -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 2dnc n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dnc h SER 5 N 0.00 0.00 0.00 1.61 0.02 -2.01 -3.48 113.55 109.69 2dnc h SER 5 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dnc h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dnc h SER 5 CO 0.00 0.53 0.00 -0.24 -1.14 0.00 0.00 176.83 175.98 2dnc n SER 6 N -4.39 -1.28 0.00 3.07 2.88 -1.26 -5.18 113.62 107.45 2dnc n SER 6 Ca -0.03 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2dnc n SER 6 Cb 0.10 1.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.91 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 0.62 0.56 3.41 0.46 0.00 -1.26 -4.90 105.19 104.07 2dnc n GLY 7 Ca 0.00 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.60 4.92 -0.13 -0.61 1.01 -0.17 -4.95 121.20 119.67 2dnc s ILE 8 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 2dnc s ILE 8 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2dnc s ILE 8 CO 0.00 -0.31 0.93 -1.59 0.00 0.00 0.00 174.94 173.97 2dnc s LYS 9 N 1.61 4.38 -0.60 2.79 -2.85 -1.26 -0.27 119.74 123.54 2dnc s LYS 9 Ca 0.04 1.23 -0.23 0.00 -1.00 0.00 0.00 55.97 56.00 2dnc s LYS 9 Cb -0.20 -3.55 0.05 0.00 -2.06 0.00 0.00 37.83 32.08 2dnc s LYS 9 CO 0.08 -0.31 0.94 0.42 0.10 0.00 0.00 175.35 176.59 2dnc s ILE 10 N 2.02 4.37 -0.05 3.79 1.01 0.84 -4.99 121.20 128.19 2dnc s ILE 10 Ca 0.44 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 2dnc s ILE 10 Cb -0.18 -4.60 -0.05 0.00 0.01 0.00 0.00 42.46 37.65 2dnc s ILE 10 CO 0.16 -1.27 0.26 -0.76 0.00 0.00 0.00 174.94 173.33 2dnc s LEU 11 N 3.98 4.41 -0.15 2.97 1.43 -1.26 -1.04 118.68 129.03 2dnc s LEU 11 Ca 0.26 0.65 -0.32 0.00 -1.03 0.00 0.00 54.13 53.69 2dnc s LEU 11 Cb -0.15 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 2dnc s LEU 11 CO 0.15 0.34 2.03 0.80 0.23 0.00 0.00 176.35 179.90 2dnc n MET 12 N 1.69 2.05 -1.66 1.70 0.00 -0.61 -4.77 117.12 115.52 2dnc n MET 12 Ca -0.16 0.69 -0.31 0.00 -0.00 0.00 0.00 57.70 57.92 2dnc n MET 12 Cb 0.54 -2.81 0.04 0.00 0.00 0.00 0.00 33.22 30.98 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 5.06 3.02 -1.16 2.12 0.04 -1.26 -2.40 135.00 140.42 2dnc s PRO 13 Ca 0.97 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2dnc s PRO 13 Cb -0.59 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2dnc s PRO 13 CO 0.46 -1.04 2.76 -1.13 0.04 0.00 0.00 177.00 178.09 2dnc n SER 14 N -2.93 7.77 -0.31 6.66 3.41 -1.26 -4.71 113.62 122.25 2dnc n SER 14 Ca 0.08 -2.90 0.01 0.00 -0.26 0.00 0.00 58.87 55.80 2dnc n SER 14 Cb 0.53 -1.41 0.08 0.00 -0.26 0.00 0.00 64.21 63.15 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dnc h LEU 15 N 5.74 -1.01-10.41 1.04 3.38 -1.96 -3.40 115.31 108.70 2dnc h LEU 15 Ca 0.66 0.27 -0.48 0.00 0.09 0.00 0.00 57.88 58.43 2dnc h LEU 15 Cb 0.48 0.60 0.05 0.00 0.09 0.00 0.00 40.66 41.88 2dnc h LEU 15 CO 1.36 -0.29 0.17 -0.55 0.09 0.00 0.00 178.44 179.22 2dnc s SER 16 N -5.26 5.71 0.23 -0.43 0.15 -1.26 -4.99 113.70 107.84 2dnc s SER 16 Ca -0.14 0.76 0.10 0.00 0.70 0.00 0.00 55.95 57.36 2dnc s SER 16 Cb 0.22 -1.80 0.18 0.00 -1.71 0.00 0.00 66.02 62.91 2dnc s SER 16 CO 0.74 -0.98 1.51 1.55 1.20 0.00 0.00 173.24 177.26 2dnc h PRO 17 N -0.11 0.00 -2.01 5.44 0.13 -2.02 -3.36 132.00 130.07 2dnc h PRO 17 Ca -0.46 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 2dnc h PRO 17 Cb 1.25 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 2dnc h PRO 17 CO 0.61 0.73 -1.14 0.25 -0.23 0.00 0.00 178.00 178.22 2dnc n THR 18 N -3.63 -0.18 -4.35 1.56 -2.24 -1.26 -5.09 114.28 99.08 2dnc n THR 18 Ca -0.01 -4.44 -0.34 0.00 -2.27 0.00 0.00 64.05 57.00 2dnc n THR 18 Cb 0.72 -0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.04 3.59 -0.10 -0.78 0.00 -1.26 -4.98 119.30 113.74 2dnc s MET 19 Ca 0.39 -0.48 0.17 0.00 0.00 0.00 0.00 55.69 55.77 2dnc s MET 19 Cb 0.28 -2.93 -0.26 0.00 0.00 0.00 0.00 34.83 31.93 2dnc s MET 19 CO -0.09 0.33 0.24 0.39 0.00 0.00 0.00 175.02 175.89 2dnc n GLU 20 N 3.28 0.85 -3.50 4.11 4.71 -1.26 -4.88 120.64 123.95 2dnc n GLU 20 Ca -0.17 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.16 56.75 2dnc n GLU 20 Cb 0.53 -1.45 -0.04 0.00 -1.01 0.00 0.00 31.44 29.46 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2dnc s GLU 21 N -2.87 1.01 0.00 3.49 -1.05 -1.26 -1.02 118.70 116.99 2dnc s GLU 21 Ca -0.08 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.71 2dnc s GLU 21 Cb 0.09 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 2dnc s GLU 21 CO 0.75 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.00 2dnc n GLY 22 N 0.37 5.62 3.04 -3.83 0.00 -0.59 -4.72 105.19 105.09 2dnc n GLY 22 Ca -0.16 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 2dnc n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dnc s ASN 23 N -0.15 -0.10 -0.33 1.61 0.01 -1.11 0.67 114.94 115.55 2dnc s ASN 23 Ca 0.00 0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 52.38 2dnc s ASN 23 Cb 0.00 1.32 -0.01 0.00 0.41 0.00 0.00 41.25 42.96 2dnc s ASN 23 CO 0.00 -0.28 1.68 -0.63 -1.51 0.00 0.00 177.10 176.36 2dnc s ILE 24 N 2.61 3.61 -0.03 0.60 1.09 -0.53 -0.17 121.20 128.38 2dnc s ILE 24 Ca 0.10 0.63 -0.16 0.00 -1.10 0.00 0.00 60.65 60.12 2dnc s ILE 24 Cb -0.14 -3.79 -0.09 0.00 -1.06 0.00 0.00 42.46 37.38 2dnc s ILE 24 CO -0.16 -0.47 0.65 0.58 -0.10 0.00 0.00 174.94 175.44 2dnc h VAL 25 N 6.62 0.00 -2.78 2.92 2.07 -0.45 0.50 116.25 125.14 2dnc h VAL 25 Ca -0.32 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 2dnc h VAL 25 Cb 1.15 0.01 -0.21 0.00 -1.52 0.00 0.00 31.29 30.72 2dnc h VAL 25 CO 1.04 0.00 -0.18 -0.75 0.02 0.00 0.00 177.57 177.70 2dnc s LYS 26 N -3.39 0.70 -0.21 1.57 2.20 -1.26 -2.84 119.74 116.50 2dnc s LYS 26 Ca -0.08 0.06 -0.23 0.00 -0.36 0.00 0.00 55.97 55.37 2dnc s LYS 26 Cb 0.01 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2dnc s LYS 26 CO 0.25 -0.18 0.72 -1.58 -0.36 0.00 0.00 175.35 174.20 2dnc s TRP 27 N -0.95 3.35 -0.51 4.03 0.52 -1.26 -1.56 118.94 122.55 2dnc s TRP 27 Ca -0.10 1.03 0.26 0.00 0.02 0.00 0.00 56.10 57.30 2dnc s TRP 27 Cb -0.04 -2.91 0.80 0.00 -1.15 0.00 0.00 33.47 30.17 2dnc s TRP 27 CO 0.04 -0.27 1.75 -0.07 0.02 0.00 0.00 176.95 178.42 2dnc h LEU 28 N 8.61 0.00 -9.05 2.99 3.38 0.80 -3.45 115.31 118.59 2dnc h LEU 28 Ca -0.28 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.16 2dnc h LEU 28 Cb 1.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 2dnc h LEU 28 CO 0.81 0.00 -0.74 -0.54 0.09 0.00 0.00 178.44 178.06 2dnc s LYS 29 N -3.24 1.50 0.41 1.13 -0.14 -0.91 -4.99 119.74 113.50 2dnc s LYS 29 Ca 0.07 -1.68 0.07 0.00 -1.36 0.00 0.00 55.97 53.07 2dnc s LYS 29 Cb 0.10 -1.42 -0.06 0.00 -1.68 0.00 0.00 37.83 34.76 2dnc s LYS 29 CO 0.57 0.24 0.11 0.15 -0.76 0.00 0.00 175.35 175.66 2dnc s LYS 30 N -3.59 2.12 -0.24 1.68 -0.14 -1.26 -5.04 119.74 113.27 2dnc s LYS 30 Ca 0.26 -1.94 -0.29 0.00 -1.36 0.00 0.00 55.97 52.64 2dnc s LYS 30 Cb -0.02 -1.85 -0.01 0.00 -1.68 0.00 0.00 37.83 34.26 2dnc s LYS 30 CO 0.11 -0.09 1.46 -1.21 -0.76 0.00 0.00 175.35 174.86 2dnc s GLU 31 N -3.83 3.89 0.00 1.68 2.02 -1.26 -2.79 118.70 118.41 2dnc s GLU 31 Ca 0.39 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.88 2dnc s GLU 31 Cb 0.06 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.34 2dnc s GLU 31 CO 0.21 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.74 2dnc n GLY 32 N 4.41 3.07 3.56 -1.39 0.00 -0.20 -5.02 105.19 109.62 2dnc n GLY 32 Ca 0.17 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2dnc n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dnc n GLU 33 N 0.00 -0.21 -2.07 1.61 1.02 -1.12 -4.50 120.64 115.37 2dnc n GLU 33 Ca 0.00 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2dnc n GLU 33 Cb 0.00 -2.14 0.05 0.00 -0.02 0.00 0.00 31.44 29.33 2dnc n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dnc s ALA 34 N -2.38 3.03 -0.01 0.62 0.00 -1.26 -1.70 121.76 120.05 2dnc s ALA 34 Ca 0.64 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2dnc s ALA 34 Cb -0.25 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 2dnc s ALA 34 CO 0.60 -1.08 0.05 0.08 0.00 0.00 0.00 175.76 175.42 2dnc s VAL 35 N -3.25 0.04 0.23 0.00 1.01 0.51 -4.79 120.40 114.16 2dnc s VAL 35 Ca 0.57 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.29 2dnc s VAL 35 Cb -0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 2dnc s VAL 35 CO 0.49 -0.19 -0.13 -0.55 0.00 0.00 0.00 175.10 174.72 2dnc s SER 36 N -0.57 2.77 0.13 3.32 0.15 -1.26 -0.52 113.70 117.72 2dnc s SER 36 Ca -0.06 -1.07 -0.30 0.00 0.70 0.00 0.00 55.95 55.22 2dnc s SER 36 Cb -0.04 -0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 2dnc s SER 36 CO 0.00 -0.19 1.24 0.00 1.20 0.00 0.00 173.24 175.49 2dnc s ALA 37 N -2.92 3.45 0.00 5.45 0.00 -1.26 -2.81 121.76 123.67 2dnc s ALA 37 Ca 0.25 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2dnc s ALA 37 Cb -0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2dnc s ALA 37 CO 0.09 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2dnc n GLY 38 N 2.79 2.61 3.73 0.00 0.00 0.31 -4.91 105.19 109.73 2dnc n GLY 38 Ca 0.07 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2dnc n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dnc n ASP 39 N 0.93 3.06 -4.77 1.61 9.92 -1.12 -4.26 116.55 121.92 2dnc n ASP 39 Ca 0.00 1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 55.01 2dnc n ASP 39 Cb 0.00 -1.55 -0.02 0.00 -0.64 0.00 0.00 41.12 38.91 2dnc n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dnc s ALA 40 N -1.17 3.36 -0.14 2.24 0.00 -1.26 0.30 121.76 125.09 2dnc s ALA 40 Ca 0.59 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 2dnc s ALA 40 Cb -0.49 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 2dnc s ALA 40 CO 0.60 -0.58 -0.23 1.28 0.00 0.00 0.00 175.76 176.83 2dnc n LEU 41 N 0.56 1.43 -4.00 0.00 4.77 0.32 -4.73 117.00 115.35 2dnc n LEU 41 Ca 0.01 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2dnc n LEU 41 Cb 0.44 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2dnc n LEU 41 CO 0.56 0.03 0.23 0.00 -1.33 0.00 0.00 177.39 176.88 2dnc s GLU 43 N -3.23 3.39 -0.05 0.00 2.02 -0.60 0.57 118.70 120.79 2dnc s GLU 43 Ca 0.25 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.41 2dnc s GLU 43 Cb -0.01 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.63 2dnc s GLU 43 CO 0.15 -0.38 0.41 0.42 0.02 0.00 0.00 175.26 175.88 2dnc s ILE 44 N 1.62 5.11 -0.17 -1.63 -1.09 0.19 0.32 121.20 125.54 2dnc s ILE 44 Ca 0.05 0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 59.19 2dnc s ILE 44 Cb -0.17 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2dnc s ILE 44 CO 0.06 0.48 0.20 -0.70 -1.23 0.00 0.00 174.94 173.76 2dnc s GLU 45 N -0.40 4.15 0.02 2.79 2.12 0.76 -1.49 118.70 126.64 2dnc s GLU 45 Ca 0.23 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.50 2dnc s GLU 45 Cb -0.16 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2dnc s GLU 45 CO 0.11 0.33 -0.04 0.95 -0.54 0.00 0.00 175.26 176.06 2dnc s THR 46 N 0.25 0.27 0.23 -1.70 -4.23 -1.07 -2.75 115.64 106.64 2dnc s THR 46 Ca 0.12 -0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 59.78 2dnc s THR 46 Cb -0.12 -0.35 0.24 0.00 1.34 0.00 0.00 72.50 73.61 2dnc s THR 46 CO 0.01 -0.33 1.65 0.44 -0.54 0.00 0.00 174.62 175.86 2dnc h ASP 47 N 4.94 -0.25 -0.11 3.99 3.32 -1.98 -1.64 116.42 124.69 2dnc h ASP 47 Ca -0.32 0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.92 2dnc h ASP 47 Cb 1.21 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 41.01 2dnc h ASP 47 CO 0.43 -0.13 -0.22 0.50 -1.72 0.00 0.00 179.24 178.11 2dnc h LYS 48 N 0.14 -0.19 0.00 3.56 3.11 -2.00 -3.47 116.57 117.72 2dnc h LYS 48 Ca 0.38 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.25 2dnc h LYS 48 Cb 0.64 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.91 2dnc h LYS 48 CO -0.58 -0.12 0.06 0.00 -2.81 0.00 0.00 179.45 175.99 2dnc n ALA 49 N -2.80 -0.27 -2.68 5.00 0.00 -0.62 -5.13 120.51 114.01 2dnc n ALA 49 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2dnc n ALA 49 Cb 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.46 4.84 0.19 0.00 0.11 -1.26 -2.59 120.40 119.23 2dnc s VAL 50 Ca 0.02 1.80 0.07 0.00 -2.93 0.00 0.00 61.98 60.95 2dnc s VAL 50 Cb -0.00 -4.21 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 2dnc s VAL 50 CO 0.00 0.02 -0.14 0.68 -3.33 0.00 0.00 175.10 172.34 2dnc s VAL 51 N 2.05 1.64 -0.03 2.04 -7.23 -0.56 -5.01 120.40 113.30 2dnc s VAL 51 Ca 0.43 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 2dnc s VAL 51 Cb -0.17 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2dnc s VAL 51 CO 0.15 -0.58 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.28 2dnc s THR 52 N -2.88 2.70 -0.21 5.32 2.01 -1.26 0.53 115.64 121.85 2dnc s THR 52 Ca 0.20 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 2dnc s THR 52 Cb -0.01 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 2dnc s THR 52 CO 0.06 0.57 0.66 -0.22 -0.69 0.00 0.00 174.62 175.00 2dnc s LEU 53 N -0.73 4.13 0.13 4.42 0.20 0.19 -4.81 118.68 122.20 2dnc s LEU 53 Ca 0.11 0.85 0.00 0.00 0.69 0.00 0.00 54.13 55.79 2dnc s LEU 53 Cb -0.10 -2.93 -0.04 0.00 -0.43 0.00 0.00 46.19 42.69 2dnc s LEU 53 CO 0.00 -0.31 0.29 1.51 -0.29 0.00 0.00 176.35 177.55 2dnc s ASP 54 N 1.25 6.37 0.30 3.68 -4.77 -1.26 0.12 116.67 122.36 2dnc s ASP 54 Ca 0.29 0.29 -0.28 0.00 -3.30 0.00 0.00 52.55 49.56 2dnc s ASP 54 Cb -0.16 -1.97 -0.09 0.00 -1.09 0.00 0.00 42.92 39.61 2dnc s ASP 54 CO 0.10 0.07 1.01 0.00 0.70 0.00 0.00 175.17 177.05 2dnc s ALA 55 N -1.68 3.28 -0.13 2.11 0.00 0.15 -4.82 121.76 120.66 2dnc s ALA 55 Ca 0.36 0.69 0.18 0.00 0.00 0.00 0.00 51.96 53.19 2dnc s ALA 55 Cb -0.12 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.51 2dnc s ALA 55 CO 0.28 0.01 0.38 0.45 0.00 0.00 0.00 175.76 176.88 2dnc n SER 56 N 0.86 0.29 -4.07 0.00 2.88 -1.26 0.12 113.62 112.44 2dnc n SER 56 Ca 0.01 0.13 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 2dnc n SER 56 Cb 0.48 0.86 -0.10 0.00 -0.75 0.00 0.00 64.21 64.69 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 -5.46 0.57 -0.05 -3.46 1.11 -1.26 -4.75 116.67 103.38 2dnc s ASP 57 Ca -0.07 -0.79 -0.22 0.00 0.18 0.00 0.00 52.55 51.64 2dnc s ASP 57 Cb 0.08 0.13 -0.04 0.00 1.07 0.00 0.00 42.92 44.16 2dnc s ASP 57 CO 0.84 -0.43 0.66 1.51 1.18 0.00 0.00 175.17 178.93 2dnc s ASP 58 N -2.32 6.97 0.05 0.27 -4.77 -1.26 -4.16 116.67 111.45 2dnc s ASP 58 Ca -0.01 1.16 -0.22 0.00 -3.30 0.00 0.00 52.55 50.18 2dnc s ASP 58 Cb -0.00 -2.39 0.07 0.00 -1.09 0.00 0.00 42.92 39.51 2dnc s ASP 58 CO -0.05 -0.05 1.03 0.61 0.70 0.00 0.00 175.17 177.41 2dnc n GLY 59 N 2.93 0.44 3.69 2.12 0.00 0.33 -4.74 105.19 109.97 2dnc n GLY 59 Ca -0.03 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2dnc n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dnc s ILE 60 N -2.07 4.91 -0.87 -0.61 -1.09 -0.17 0.19 121.20 121.49 2dnc s ILE 60 Ca 0.24 0.00 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 2dnc s ILE 60 Cb -0.01 -3.18 -0.12 0.00 -1.58 0.00 0.00 42.46 37.56 2dnc s ILE 60 CO 0.02 0.51 2.22 -0.22 -1.23 0.00 0.00 174.94 176.24 2dnc s LEU 61 N -0.06 2.90 0.01 2.97 0.20 -0.69 -1.67 118.68 122.34 2dnc s LEU 61 Ca 0.07 -0.35 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 2dnc s LEU 61 Cb -0.12 -2.56 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 2dnc s LEU 61 CO 0.01 -3.61 1.06 0.00 -0.29 0.00 0.00 176.35 173.52 2dnc h ALA 62 N 12.01 -0.72 -3.01 5.97 0.00 -1.53 -0.52 119.26 131.47 2dnc h ALA 62 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2dnc h ALA 62 Cb 1.00 0.38 -0.24 0.00 0.00 0.00 0.00 17.79 18.93 2dnc h ALA 62 CO 1.08 -0.73 -0.41 0.21 0.00 0.00 0.00 179.25 179.40 2dnc s LYS 63 N -3.32 0.36 -0.95 0.00 2.36 -1.16 -4.52 119.74 112.51 2dnc s LYS 63 Ca -0.02 0.23 -0.16 0.00 -2.55 0.00 0.00 55.97 53.47 2dnc s LYS 63 Cb 0.01 0.17 0.18 0.00 -1.05 0.00 0.00 37.83 37.13 2dnc s LYS 63 CO 0.07 -0.06 1.05 0.42 1.55 0.00 0.00 175.35 178.38 2dnc s ILE 64 N -0.16 5.14 0.17 5.43 1.01 -1.26 -1.66 121.20 129.87 2dnc s ILE 64 Ca -0.03 -2.14 -0.28 0.00 0.00 0.00 0.00 60.65 58.20 2dnc s ILE 64 Cb -0.03 -4.69 -0.01 0.00 0.01 0.00 0.00 42.46 37.75 2dnc s ILE 64 CO 0.01 -1.35 1.54 0.58 0.00 0.00 0.00 174.94 175.72 2dnc h VAL 65 N 5.18 0.00 -3.44 2.92 2.07 -1.50 -3.34 116.25 118.14 2dnc h VAL 65 Ca 0.16 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 67.03 2dnc h VAL 65 Cb 1.00 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 30.52 2dnc h VAL 65 CO 1.01 0.00 -0.68 -0.69 0.02 0.00 0.00 177.57 177.22 2dnc s VAL 66 N -5.59 3.75 0.92 2.57 1.01 0.10 -5.00 120.40 118.17 2dnc s VAL 66 Ca -0.12 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 2dnc s VAL 66 Cb 0.13 -2.70 0.21 0.00 0.00 0.00 0.00 36.38 34.01 2dnc s VAL 66 CO 0.64 0.42 1.25 -0.62 0.00 0.00 0.00 175.10 176.79 2dnc n GLU 67 N 4.49 -1.16 -1.31 2.72 -0.58 -1.25 -4.84 120.64 118.70 2dnc n GLU 67 Ca -0.17 -2.01 -0.30 0.00 -0.42 0.00 0.00 57.16 54.26 2dnc n GLU 67 Cb 0.51 -1.26 0.13 0.00 -0.57 0.00 0.00 31.44 30.25 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 -5.73 1.36 -0.12 3.49 -1.05 -1.26 -3.58 118.70 111.80 2dnc s GLU 68 Ca 0.72 0.71 0.00 0.00 -0.15 0.00 0.00 54.97 56.24 2dnc s GLU 68 Cb -0.02 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 2dnc s GLU 68 CO 0.50 -2.14 0.00 0.41 0.95 0.00 0.00 175.26 174.98 2dnc n GLY 69 N -1.43 0.43 3.48 -3.83 0.00 0.17 -4.97 105.19 99.04 2dnc n GLY 69 Ca 0.07 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2dnc n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dnc s SER 70 N -2.15 6.25 0.38 1.61 0.01 -1.12 -4.96 113.70 113.71 2dnc s SER 70 Ca 0.00 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 2dnc s SER 70 Cb 0.00 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2dnc s SER 70 CO 0.00 -0.79 0.60 -0.54 0.41 0.00 0.00 173.24 172.93 2dnc s LYS 71 N 2.58 3.50 -0.36 12.44 -0.14 -1.26 -1.45 119.74 135.05 2dnc s LYS 71 Ca 0.17 -0.21 -0.08 0.00 -1.36 0.00 0.00 55.97 54.49 2dnc s LYS 71 Cb -0.17 -2.60 0.01 0.00 -1.68 0.00 0.00 37.83 33.39 2dnc s LYS 71 CO 0.14 0.07 0.43 -1.71 -0.76 0.00 0.00 175.35 173.52 2dnc n ASN 72 N -1.89 -6.05 -4.13 2.83 2.85 -0.59 -4.95 115.26 103.33 2dnc n ASN 72 Ca -0.04 0.25 -0.38 0.00 -0.11 0.00 0.00 54.58 54.30 2dnc n ASN 72 Cb 0.56 -4.00 -0.08 0.00 1.24 0.00 0.00 39.78 37.50 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2dnc s ILE 73 N -2.37 4.05 0.73 -1.44 -1.09 0.21 -4.86 121.20 116.43 2dnc s ILE 73 Ca 0.12 -2.90 -0.15 0.00 -2.23 0.00 0.00 60.65 55.48 2dnc s ILE 73 Cb -0.03 -3.61 -0.13 0.00 -1.58 0.00 0.00 42.46 37.11 2dnc s ILE 73 CO 0.52 -0.91 -0.50 0.54 -1.23 0.00 0.00 174.94 173.37 2dnc n ARG 74 N 3.54 0.00 -1.44 2.79 1.74 -1.26 -1.54 116.66 120.48 2dnc n ARG 74 Ca 0.09 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 2dnc n ARG 74 Cb 0.39 -0.89 0.08 0.00 -1.02 0.00 0.00 32.46 31.02 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnc s LEU 75 N 6.15 3.21 -1.46 0.55 1.43 -0.19 -3.39 118.68 124.98 2dnc s LEU 75 Ca 0.41 2.02 -0.06 0.00 -1.03 0.00 0.00 54.13 55.48 2dnc s LEU 75 Cb -0.27 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.41 2dnc s LEU 75 CO 0.68 -2.00 0.11 0.61 0.23 0.00 0.00 176.35 175.98 2dnc n GLY 76 N -0.52 -0.23 3.52 -3.19 0.00 -1.01 -4.83 105.19 98.94 2dnc n GLY 76 Ca 0.11 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.23 4.41 -0.14 1.61 0.01 -1.22 -4.65 113.70 109.50 2dnc s SER 77 Ca 0.08 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2dnc s SER 77 Cb -0.04 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 2dnc s SER 77 CO 0.97 0.32 1.62 -0.76 0.41 0.00 0.00 173.24 175.80 2dnc s LEU 78 N -0.56 4.11 -0.07 2.44 1.43 -1.25 -1.57 118.68 123.21 2dnc s LEU 78 Ca 0.08 1.93 0.11 0.00 -1.03 0.00 0.00 54.13 55.22 2dnc s LEU 78 Cb -0.12 -3.53 -0.17 0.00 0.03 0.00 0.00 46.19 42.41 2dnc s LEU 78 CO 0.02 -1.07 0.14 2.30 0.23 0.00 0.00 176.35 177.97 2dnc n ILE 79 N 5.90 0.46 -3.52 -0.59 -5.35 -0.20 -4.53 119.36 111.53 2dnc n ILE 79 Ca 0.18 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 2dnc n ILE 79 Cb 0.44 -0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 37.99 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 -4.01 -0.47 -0.12 3.28 0.00 -1.25 -0.72 107.32 104.04 2dnc s GLY 80 Ca -0.05 1.32 0.02 0.00 0.00 0.00 0.00 44.72 46.01 2dnc s GLY 80 CO 0.50 0.71 -0.20 -2.27 0.00 0.00 0.00 173.10 171.83 2dnc s LEU 81 N -1.71 2.31 0.10 0.66 1.98 -0.66 -0.11 118.68 121.24 2dnc s LEU 81 Ca -0.03 -0.49 0.02 0.00 -2.89 0.00 0.00 54.13 50.75 2dnc s LEU 81 Cb -0.01 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 2dnc s LEU 81 CO -0.01 0.15 0.17 -0.63 -1.89 0.00 0.00 176.35 174.15 2dnc s ILE 82 N 0.44 4.97 -0.01 6.68 1.01 0.63 -1.38 121.20 133.54 2dnc s ILE 82 Ca -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2dnc s ILE 82 Cb -0.17 -3.46 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2dnc s ILE 82 CO 0.06 0.04 -0.05 0.68 0.00 0.00 0.00 174.94 175.67 2dnc s VAL 83 N -1.57 0.43 -0.16 2.92 -7.23 -0.67 -1.00 120.40 113.13 2dnc s VAL 83 Ca 0.33 -0.23 -0.41 0.00 -1.81 0.00 0.00 61.98 59.86 2dnc s VAL 83 Cb -0.12 -0.37 -0.18 0.00 0.56 0.00 0.00 36.38 36.27 2dnc s VAL 83 CO 0.26 0.12 1.44 -0.62 -0.31 0.00 0.00 175.10 175.99 2dnc n GLU 84 N 2.98 0.61 -1.32 4.82 -0.58 -1.26 -1.00 120.64 124.89 2dnc n GLU 84 Ca -0.13 0.22 -0.55 0.00 -0.42 0.00 0.00 57.16 56.28 2dnc n GLU 84 Cb 0.58 -1.81 -0.13 0.00 -0.57 0.00 0.00 31.44 29.51 2dnc n GLU 84 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2dnc n GLU 85 N 3.34 0.03 -0.68 3.49 1.02 -1.26 -1.75 120.64 124.83 2dnc n GLU 85 Ca 0.24 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2dnc n GLU 85 Cb 0.09 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 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 7.20 0.86 2.43 0.62 0.00 -1.26 -5.04 105.19 109.99 2dnc n GLY 86 Ca 0.58 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2dnc n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dnc n GLU 87 N -0.63 1.02 -3.46 1.61 1.02 -0.72 -5.02 120.64 114.47 2dnc n GLU 87 Ca 0.00 -2.85 -0.36 0.00 -0.02 0.00 0.00 57.16 53.92 2dnc n GLU 87 Cb 0.22 -1.36 0.04 0.00 -0.02 0.00 0.00 31.44 30.31 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dnc n ASP 88 N 0.21 -5.71 -0.08 1.62 8.00 -1.26 -4.86 116.55 114.48 2dnc n ASP 88 Ca 0.16 -0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 2dnc n ASP 88 Cb 0.70 -1.98 -0.08 0.00 -0.02 0.00 0.00 41.12 39.74 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2dnc h TRP 89 N 2.05 0.00 -2.11 1.24 5.08 -1.93 -3.44 115.95 116.83 2dnc h TRP 89 Ca -0.52 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 58.87 2dnc h TRP 89 Cb 1.38 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.53 2dnc h TRP 89 CO 0.01 0.75 1.44 0.21 -1.28 0.00 0.00 178.44 179.58 2dnc s LYS 90 N -2.13 3.24 -0.11 0.12 2.20 -1.26 -4.73 119.74 117.07 2dnc s LYS 90 Ca -0.17 2.00 -0.12 0.00 -0.36 0.00 0.00 55.97 57.32 2dnc s LYS 90 Cb 0.01 -4.33 -0.04 0.00 -1.51 0.00 0.00 37.83 31.96 2dnc s LYS 90 CO 0.43 -1.98 -0.23 0.72 -0.36 0.00 0.00 175.35 173.92 2dnc n HIS 91 N 11.17 0.00 -1.68 4.03 8.25 -1.26 -4.92 115.22 130.81 2dnc n HIS 91 Ca 0.28 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.28 2dnc n HIS 91 Cb 0.45 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2dnc n HIS 91 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2dnc n VAL 92 N -3.96 0.22 -2.28 1.59 3.14 -1.26 -3.98 118.33 111.81 2dnc n VAL 92 Ca -0.09 -0.04 -0.04 0.00 -2.96 0.00 0.00 64.34 61.20 2dnc n VAL 92 Cb 0.35 -1.71 -0.03 0.00 -1.06 0.00 0.00 33.84 31.38 2dnc n VAL 92 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2dnc n SER 93 N 4.68 -0.89 0.00 6.55 7.64 -1.26 -5.09 113.62 125.24 2dnc n SER 93 Ca 0.19 0.98 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2dnc n SER 93 Cb 0.30 -4.08 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 2dnc n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnc n GLY 94 N 1.24 3.76 3.56 0.23 0.00 -1.26 -5.06 105.19 107.66 2dnc n GLY 94 Ca -0.30 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 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 1.49 2.98 -0.08 1.61 0.04 -1.26 -4.95 135.00 134.82 2dnc s PRO 95 Ca 0.00 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 61.28 2dnc s PRO 95 Cb 0.00 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.31 2dnc s PRO 95 CO 0.00 -2.35 -0.00 -1.54 0.04 0.00 0.00 177.00 173.15 2dnc s SER 96 N 5.69 1.72 -0.12 6.66 1.04 -1.26 -5.10 113.70 122.33 2dnc s SER 96 Ca 0.52 -0.15 -0.29 0.00 0.48 0.00 0.00 55.95 56.50 2dnc s SER 96 Cb -0.11 -0.48 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 2dnc s SER 96 CO 0.19 -0.20 1.66 -0.94 0.98 0.00 0.00 173.24 174.93 2dnc s SER 97 N 1.95 6.52 0.00 7.02 1.04 -1.26 -5.25 113.70 123.72 2dnc s SER 97 Ca 0.05 2.00 0.15 0.00 0.48 0.00 0.00 55.95 58.62 2dnc s SER 97 Cb -0.13 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.58 2dnc s SER 97 CO -0.06 -1.08 0.97 0.61 0.98 0.00 0.00 173.24 174.66