#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 -0.58 -3.66 1.61 7.64 -1.26 -5.14 113.62 112.22 2dnc n SER 2 Ca 0.00 0.47 -0.15 0.00 1.01 0.00 0.00 58.87 60.19 2dnc n SER 2 Cb 0.00 0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 63.86 2dnc n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dnc s SER 3 N -4.64 -0.40 0.00 6.43 1.04 -1.26 -5.13 113.70 109.74 2dnc s SER 3 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2dnc s SER 3 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dnc s SER 3 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2dnc n GLY 4 N 1.20 3.43 0.77 7.32 0.00 -1.26 -5.10 105.19 111.55 2dnc n GLY 4 Ca -0.20 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 2dnc n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dnc n SER 5 N 0.00 1.18 -3.62 1.61 7.64 -1.26 -5.13 113.62 114.03 2dnc n SER 5 Ca 0.00 0.17 -0.02 0.00 1.01 0.00 0.00 58.87 60.04 2dnc n SER 5 Cb 0.00 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.78 2dnc n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dnc s SER 6 N -5.92 -0.12 0.00 6.43 0.15 -1.26 -5.13 113.70 107.85 2dnc s SER 6 Ca -0.09 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2dnc s SER 6 Cb 0.02 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2dnc s SER 6 CO 0.13 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dnc n GLY 7 N -0.35 0.87 3.20 9.45 0.00 -1.26 -5.03 105.19 112.07 2dnc n GLY 7 Ca -0.05 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.02 3.21 -0.17 -0.61 1.01 -0.13 -4.94 121.20 118.56 2dnc s ILE 8 Ca 0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 60.65 59.09 2dnc s ILE 8 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 2dnc s ILE 8 CO 0.00 -0.12 0.86 -1.59 0.00 0.00 0.00 174.94 174.10 2dnc s LYS 9 N 1.30 4.30 -0.35 2.79 -2.85 -1.26 -0.09 119.74 123.58 2dnc s LYS 9 Ca -0.04 1.08 -0.21 0.00 -1.00 0.00 0.00 55.97 55.80 2dnc s LYS 9 Cb -0.20 -3.58 0.00 0.00 -2.06 0.00 0.00 37.83 32.00 2dnc s LYS 9 CO -0.00 -0.35 0.65 0.42 0.10 0.00 0.00 175.35 176.17 2dnc s ILE 10 N 2.23 4.88 -0.07 3.79 1.01 0.42 -5.00 121.20 128.46 2dnc s ILE 10 Ca 0.40 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 2dnc s ILE 10 Cb -0.17 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 2dnc s ILE 10 CO 0.12 -0.32 -0.00 -0.76 0.00 0.00 0.00 174.94 173.98 2dnc s LEU 11 N 2.74 3.54 -0.30 2.97 1.43 -1.26 -1.78 118.68 126.02 2dnc s LEU 11 Ca 0.25 0.11 -0.38 0.00 -1.03 0.00 0.00 54.13 53.08 2dnc s LEU 11 Cb -0.14 -1.85 -0.14 0.00 0.03 0.00 0.00 46.19 44.09 2dnc s LEU 11 CO 0.15 0.36 1.95 0.80 0.23 0.00 0.00 176.35 179.83 2dnc n MET 12 N 2.01 1.18 -1.57 1.70 0.00 -1.12 -4.84 117.12 114.48 2dnc n MET 12 Ca -0.18 0.40 -0.30 0.00 -0.00 0.00 0.00 57.70 57.61 2dnc n MET 12 Cb 0.53 -2.26 0.07 0.00 0.00 0.00 0.00 33.22 31.56 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 4.72 2.53 -1.19 2.12 0.04 -1.26 -3.66 135.00 138.31 2dnc s PRO 13 Ca 1.03 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 2dnc s PRO 13 Cb -0.98 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 31.68 2dnc s PRO 13 CO 0.58 -1.35 2.56 -1.13 0.04 0.00 0.00 177.00 177.71 2dnc n SER 14 N -3.27 7.82 -0.32 6.66 3.41 -1.26 -4.75 113.62 121.90 2dnc n SER 14 Ca 0.07 -3.06 -0.12 0.00 -0.26 0.00 0.00 58.87 55.51 2dnc n SER 14 Cb 0.55 -1.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.03 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 5.49 -2.04-10.25 1.04 3.38 -1.97 -3.40 115.31 107.58 2dnc h LEU 15 Ca 0.66 0.30 -0.50 0.00 0.09 0.00 0.00 57.88 58.43 2dnc h LEU 15 Cb 0.40 0.88 0.07 0.00 0.09 0.00 0.00 40.66 42.10 2dnc h LEU 15 CO 1.39 -0.28 0.38 -0.55 0.09 0.00 0.00 178.44 179.46 2dnc s SER 16 N -5.31 5.77 0.32 -0.43 0.15 -1.26 -4.96 113.70 107.97 2dnc s SER 16 Ca -0.13 1.71 0.16 0.00 0.70 0.00 0.00 55.95 58.40 2dnc s SER 16 Cb 0.10 -2.52 0.41 0.00 -1.71 0.00 0.00 66.02 62.31 2dnc s SER 16 CO 0.61 -1.18 1.61 1.55 1.20 0.00 0.00 173.24 177.03 2dnc h PRO 17 N 0.10 0.00 -1.30 5.44 0.13 -2.02 -3.32 132.00 131.03 2dnc h PRO 17 Ca -0.46 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 2dnc h PRO 17 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 2dnc h PRO 17 CO 0.58 0.48 -1.14 0.25 -0.23 0.00 0.00 178.00 177.94 2dnc n THR 18 N -3.45 0.95 -3.84 1.56 -2.24 -1.26 -5.09 114.28 100.91 2dnc n THR 18 Ca 0.00 -3.63 -0.35 0.00 -2.27 0.00 0.00 64.05 57.80 2dnc n THR 18 Cb 0.62 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 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 -3.03 3.50 -0.07 -0.78 0.00 -1.25 -4.99 119.30 112.68 2dnc s MET 19 Ca 0.32 -0.15 0.10 0.00 0.00 0.00 0.00 55.69 55.96 2dnc s MET 19 Cb 0.43 -3.13 -0.15 0.00 0.00 0.00 0.00 34.83 31.98 2dnc s MET 19 CO -0.01 0.70 0.12 0.39 0.00 0.00 0.00 175.02 176.22 2dnc n GLU 20 N 1.37 1.52 -3.50 4.11 -0.58 -1.26 -4.95 120.64 117.35 2dnc n GLU 20 Ca -0.14 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.44 2dnc n GLU 20 Cb 0.53 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 30.11 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2dnc s GLU 21 N -2.46 0.95 0.00 3.49 -1.05 -1.26 -2.97 118.70 115.40 2dnc s GLU 21 Ca -0.05 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 2dnc s GLU 21 Cb 0.05 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2dnc s GLU 21 CO 0.44 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.68 2dnc n GLY 22 N 0.14 4.70 3.01 -3.83 0.00 0.19 -4.69 105.19 104.71 2dnc n GLY 22 Ca -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.72 -0.27 -0.42 1.61 0.01 -1.15 0.19 114.94 114.19 2dnc s ASN 23 Ca 0.00 0.48 -0.28 0.00 -0.71 0.00 0.00 52.86 52.35 2dnc s ASN 23 Cb 0.00 1.45 -0.01 0.00 0.41 0.00 0.00 41.25 43.09 2dnc s ASN 23 CO 0.00 -0.28 1.76 -0.63 -1.51 0.00 0.00 177.10 176.43 2dnc s ILE 24 N 2.64 3.51 -0.00 0.60 1.09 -0.86 -0.20 121.20 127.97 2dnc s ILE 24 Ca 0.14 0.47 -0.23 0.00 -1.10 0.00 0.00 60.65 59.93 2dnc s ILE 24 Cb -0.15 -3.81 -0.13 0.00 -1.06 0.00 0.00 42.46 37.31 2dnc s ILE 24 CO -0.17 -0.60 0.97 0.58 -0.10 0.00 0.00 174.94 175.62 2dnc h VAL 25 N 6.78 0.10 -2.52 2.92 2.07 -0.85 -1.30 116.25 123.45 2dnc h VAL 25 Ca -0.31 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 2dnc h VAL 25 Cb 1.16 0.15 -0.22 0.00 -1.52 0.00 0.00 31.29 30.85 2dnc h VAL 25 CO 1.09 0.02 -0.10 -0.75 0.02 0.00 0.00 177.57 177.85 2dnc s LYS 26 N -4.25 0.66 -0.12 1.57 2.20 -1.26 -3.49 119.74 115.05 2dnc s LYS 26 Ca -0.12 0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 55.75 2dnc s LYS 26 Cb 0.01 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2dnc s LYS 26 CO 0.38 -0.12 0.92 -1.58 -0.36 0.00 0.00 175.35 174.60 2dnc s TRP 27 N -0.11 3.50 -2.26 4.03 0.52 -1.26 -1.87 118.94 121.48 2dnc s TRP 27 Ca -0.03 1.46 0.24 0.00 0.02 0.00 0.00 56.10 57.79 2dnc s TRP 27 Cb -0.03 -3.09 1.08 0.00 -1.15 0.00 0.00 33.47 30.27 2dnc s TRP 27 CO 0.02 -0.19 1.74 1.28 0.02 0.00 0.00 176.95 179.82 2dnc n LEU 28 N 4.90 1.09 -4.17 2.99 4.77 0.51 -4.84 117.00 122.25 2dnc n LEU 28 Ca 0.06 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.52 2dnc n LEU 28 Cb 0.49 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2dnc n LEU 28 CO 0.50 0.21 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.85 2dnc s LYS 29 N -1.92 0.82 0.26 3.23 -0.14 -0.98 -4.90 119.74 116.11 2dnc s LYS 29 Ca 0.36 -1.33 0.11 0.00 -1.36 0.00 0.00 55.97 53.75 2dnc s LYS 29 Cb 0.18 -0.19 -0.05 0.00 -1.68 0.00 0.00 37.83 36.10 2dnc s LYS 29 CO 0.29 -0.02 -0.13 0.15 -0.76 0.00 0.00 175.35 174.89 2dnc s LYS 30 N -3.82 1.92 -0.04 1.68 -0.14 -1.26 -5.06 119.74 113.01 2dnc s LYS 30 Ca 0.11 -1.59 -0.30 0.00 -1.36 0.00 0.00 55.97 52.84 2dnc s LYS 30 Cb 0.05 -1.95 -0.05 0.00 -1.68 0.00 0.00 37.83 34.21 2dnc s LYS 30 CO -0.05 0.36 1.46 -1.21 -0.76 0.00 0.00 175.35 175.15 2dnc s GLU 31 N -3.45 4.24 0.00 1.68 2.02 -1.26 -2.07 118.70 119.86 2dnc s GLU 31 Ca 0.29 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.28 2dnc s GLU 31 Cb -0.06 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.45 2dnc s GLU 31 CO 0.16 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2dnc n GLY 32 N 3.79 0.46 3.89 -1.39 0.00 0.16 -5.01 105.19 107.09 2dnc n GLY 32 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.71 3.68 0.79 1.61 0.41 -0.88 -4.71 118.70 118.90 2dnc s GLU 33 Ca 0.00 0.25 -0.12 0.00 -0.41 0.00 0.00 54.97 54.69 2dnc s GLU 33 Cb 0.00 -2.48 0.07 0.00 -1.78 0.00 0.00 34.13 29.94 2dnc s GLU 33 CO 0.00 0.03 1.11 0.00 -0.49 0.00 0.00 175.26 175.91 2dnc s ALA 34 N -2.33 2.36 0.01 5.21 0.00 -1.26 0.89 121.76 126.63 2dnc s ALA 34 Ca 0.48 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 2dnc s ALA 34 Cb -0.10 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 2dnc s ALA 34 CO 0.33 -1.67 0.04 0.08 0.00 0.00 0.00 175.76 174.54 2dnc s VAL 35 N -3.25 0.09 0.01 0.00 1.01 0.49 -4.72 120.40 114.04 2dnc s VAL 35 Ca 0.61 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2dnc s VAL 35 Cb -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2dnc s VAL 35 CO 0.53 -0.42 -0.14 -0.44 0.00 0.00 0.00 175.10 174.63 2dnc s SER 36 N -1.34 1.60 0.17 3.32 0.01 -1.26 -2.00 113.70 114.19 2dnc s SER 36 Ca -0.15 -0.34 -0.32 0.00 1.31 0.00 0.00 55.95 56.46 2dnc s SER 36 Cb -0.08 -0.14 -0.11 0.00 0.21 0.00 0.00 66.02 65.90 2dnc s SER 36 CO 0.00 0.10 1.65 0.00 0.41 0.00 0.00 173.24 175.40 2dnc s ALA 37 N -0.55 3.83 0.00 1.44 0.00 -1.25 -1.82 121.76 123.41 2dnc s ALA 37 Ca 0.03 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2dnc s ALA 37 Cb -0.06 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2dnc s ALA 37 CO 0.00 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2dnc n GLY 38 N 3.88 3.00 3.72 0.00 0.00 0.85 -4.90 105.19 111.73 2dnc n GLY 38 Ca 0.15 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 0.29 4.19 0.06 1.61 1.11 -0.75 -4.47 116.67 118.71 2dnc s ASP 39 Ca 0.00 2.47 -0.30 0.00 0.18 0.00 0.00 52.55 54.90 2dnc s ASP 39 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 2dnc s ASP 39 CO 0.00 -2.27 1.04 0.00 1.18 0.00 0.00 175.17 175.11 2dnc s ALA 40 N -1.79 3.26 -0.21 5.23 0.00 -1.26 -1.20 121.76 125.78 2dnc s ALA 40 Ca 0.77 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 2dnc s ALA 40 Cb -0.32 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 2dnc s ALA 40 CO 0.44 -0.22 -0.31 1.28 0.00 0.00 0.00 175.76 176.96 2dnc n LEU 41 N 3.42 1.93 -3.92 0.00 4.77 0.17 -4.72 117.00 118.66 2dnc n LEU 41 Ca 0.05 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2dnc n LEU 41 Cb 0.49 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 2dnc n LEU 41 CO 0.53 0.03 0.17 0.00 -1.33 0.00 0.00 177.39 176.79 2dnc s GLU 43 N -3.97 3.61 -0.10 0.00 2.02 -0.78 0.13 118.70 119.62 2dnc s GLU 43 Ca 0.18 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.57 2dnc s GLU 43 Cb -0.00 -3.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 2dnc s GLU 43 CO 0.04 -0.46 0.44 0.42 0.02 0.00 0.00 175.26 175.72 2dnc s ILE 44 N 1.93 5.17 -0.15 -1.63 -1.09 0.12 -0.16 121.20 125.38 2dnc s ILE 44 Ca 0.10 0.87 -0.17 0.00 -2.23 0.00 0.00 60.65 59.22 2dnc s ILE 44 Cb -0.17 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2dnc s ILE 44 CO 0.11 0.39 0.45 -0.70 -1.23 0.00 0.00 174.94 173.96 2dnc s GLU 45 N 0.24 4.29 0.01 2.79 2.12 0.72 -2.08 118.70 126.79 2dnc s GLU 45 Ca 0.24 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 2dnc s GLU 45 Cb -0.15 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 2dnc s GLU 45 CO 0.10 0.10 0.06 0.95 -0.54 0.00 0.00 175.26 175.93 2dnc s THR 46 N 0.84 0.09 0.29 -1.70 -4.23 -1.12 -2.92 115.64 106.89 2dnc s THR 46 Ca 0.24 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 2dnc s THR 46 Cb -0.15 -0.34 0.29 0.00 1.34 0.00 0.00 72.50 73.64 2dnc s THR 46 CO 0.09 -0.42 1.83 0.44 -0.54 0.00 0.00 174.62 176.02 2dnc h ASP 47 N 4.50 0.90 0.03 3.99 3.32 -1.97 -1.59 116.42 125.59 2dnc h ASP 47 Ca -0.31 0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.82 2dnc h ASP 47 Cb 1.20 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 2dnc h ASP 47 CO 0.41 0.45 -0.41 0.50 -1.72 0.00 0.00 179.24 178.47 2dnc h LYS 48 N 0.95 -0.57 0.00 3.56 3.11 -2.01 -3.47 116.57 118.14 2dnc h LYS 48 Ca 0.51 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 2dnc h LYS 48 Cb 0.57 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 2dnc h LYS 48 CO -0.28 -0.38 0.00 0.00 -2.81 0.00 0.00 179.45 175.98 2dnc n ALA 49 N -2.86 0.00 -2.63 5.00 0.00 -0.60 -5.10 120.51 114.33 2dnc n ALA 49 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 2dnc n ALA 49 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.84 4.39 0.32 0.00 0.11 -1.26 -2.80 120.40 118.32 2dnc s VAL 50 Ca 0.00 0.42 0.08 0.00 -2.93 0.00 0.00 61.98 59.56 2dnc s VAL 50 Cb 0.00 -4.53 -0.04 0.00 -1.53 0.00 0.00 36.38 30.28 2dnc s VAL 50 CO 0.00 -1.06 0.13 0.68 -3.33 0.00 0.00 175.10 171.52 2dnc s VAL 51 N 3.96 3.24 0.04 2.04 -7.23 -0.88 -5.01 120.40 116.57 2dnc s VAL 51 Ca 0.33 -1.69 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 2dnc s VAL 51 Cb -0.12 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 2dnc s VAL 51 CO 0.21 -0.23 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.64 2dnc s THR 52 N -2.38 2.28 -0.45 5.32 2.01 -1.26 0.13 115.64 121.29 2dnc s THR 52 Ca 0.36 -1.35 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 2dnc s THR 52 Cb -0.04 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.59 2dnc s THR 52 CO 0.23 0.36 0.86 -0.22 -0.69 0.00 0.00 174.62 175.16 2dnc s LEU 53 N -1.28 4.12 0.34 4.42 0.20 0.36 -4.81 118.68 122.03 2dnc s LEU 53 Ca 0.12 0.02 -0.14 0.00 0.69 0.00 0.00 54.13 54.82 2dnc s LEU 53 Cb -0.10 -3.09 -0.08 0.00 -0.43 0.00 0.00 46.19 42.49 2dnc s LEU 53 CO 0.03 -0.99 0.74 1.51 -0.29 0.00 0.00 176.35 177.35 2dnc s ASP 54 N 2.20 6.71 0.18 3.68 -4.77 -1.26 0.45 116.67 123.86 2dnc s ASP 54 Ca 0.34 1.24 -0.30 0.00 -3.30 0.00 0.00 52.55 50.53 2dnc s ASP 54 Cb -0.11 -2.36 -0.07 0.00 -1.09 0.00 0.00 42.92 39.28 2dnc s ASP 54 CO 0.25 -0.25 0.96 0.00 0.70 0.00 0.00 175.17 176.82 2dnc s ALA 55 N -2.08 3.30 -0.09 2.11 0.00 -0.34 -4.84 121.76 119.81 2dnc s ALA 55 Ca 0.53 0.62 0.14 0.00 0.00 0.00 0.00 51.96 53.26 2dnc s ALA 55 Cb -0.10 -3.25 -0.23 0.00 0.00 0.00 0.00 23.12 19.53 2dnc s ALA 55 CO 0.21 0.07 0.51 0.43 0.00 0.00 0.00 175.76 176.98 2dnc n SER 56 N 2.13 0.63 -4.25 0.00 7.64 -1.26 -0.11 113.62 118.39 2dnc n SER 56 Ca 0.00 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 60.04 2dnc n SER 56 Cb 0.48 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.84 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dnc s ASP 57 N -5.89 1.47 -0.26 6.43 1.01 -1.26 -4.77 116.67 113.40 2dnc s ASP 57 Ca -0.06 -1.11 -0.10 0.00 0.71 0.00 0.00 52.55 51.99 2dnc s ASP 57 Cb 0.08 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 44.02 2dnc s ASP 57 CO 0.83 -0.48 0.15 -1.81 0.21 0.00 0.00 175.17 174.06 2dnc s ASP 58 N -3.18 5.82 0.14 0.27 1.11 -1.26 -3.88 116.67 115.69 2dnc s ASP 58 Ca 0.21 -0.02 -0.12 0.00 0.18 0.00 0.00 52.55 52.80 2dnc s ASP 58 Cb 0.05 -2.06 0.04 0.00 1.07 0.00 0.00 42.92 42.02 2dnc s ASP 58 CO 0.03 -0.01 0.60 0.61 1.18 0.00 0.00 175.17 177.58 2dnc n GLY 59 N 4.75 0.98 3.79 0.21 0.00 -0.85 -4.76 105.19 109.31 2dnc n GLY 59 Ca -0.15 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.30 5.30 -0.90 -0.61 -1.09 0.11 0.19 121.20 121.89 2dnc s ILE 60 Ca 0.13 0.51 -0.25 0.00 -2.23 0.00 0.00 60.65 58.81 2dnc s ILE 60 Cb -0.02 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 2dnc s ILE 60 CO 0.04 0.49 2.14 -0.22 -1.23 0.00 0.00 174.94 176.16 2dnc s LEU 61 N -0.23 2.97 0.05 2.97 0.20 0.26 -0.27 118.68 124.62 2dnc s LEU 61 Ca 0.17 -0.52 -0.14 0.00 0.69 0.00 0.00 54.13 54.34 2dnc s LEU 61 Cb -0.13 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 43.01 2dnc s LEU 61 CO 0.06 -3.39 1.22 0.00 -0.29 0.00 0.00 176.35 173.94 2dnc h ALA 62 N 11.70 -0.57 -2.96 5.97 0.00 -0.97 0.45 119.26 132.87 2dnc h ALA 62 Ca 0.06 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2dnc h ALA 62 Cb 1.00 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 2dnc h ALA 62 CO 1.12 -0.66 -0.05 -1.59 0.00 0.00 0.00 179.25 178.06 2dnc s LYS 63 N -4.08 2.06 -0.34 0.00 -2.85 -1.17 -4.28 119.74 109.08 2dnc s LYS 63 Ca -0.06 -1.71 0.01 0.00 -1.00 0.00 0.00 55.97 53.20 2dnc s LYS 63 Cb 0.03 0.50 0.11 0.00 -2.06 0.00 0.00 37.83 36.40 2dnc s LYS 63 CO 0.25 -0.89 0.11 0.42 0.10 0.00 0.00 175.35 175.33 2dnc s ILE 64 N -2.72 1.35 0.10 3.79 1.01 -1.26 -2.14 121.20 121.32 2dnc s ILE 64 Ca 0.27 -1.84 -0.30 0.00 0.00 0.00 0.00 60.65 58.78 2dnc s ILE 64 Cb -0.02 -2.00 -0.11 0.00 0.01 0.00 0.00 42.46 40.34 2dnc s ILE 64 CO 0.19 -0.69 1.62 0.58 0.00 0.00 0.00 174.94 176.64 2dnc h VAL 65 N 6.34 0.33 -3.63 2.92 2.07 0.18 -3.38 116.25 121.08 2dnc h VAL 65 Ca -0.09 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.74 2dnc h VAL 65 Cb 1.00 0.33 -0.26 0.00 -1.52 0.00 0.00 31.29 30.84 2dnc h VAL 65 CO 0.49 0.00 -0.59 -0.69 0.02 0.00 0.00 177.57 176.80 2dnc s VAL 66 N -6.02 4.08 0.72 2.57 1.01 -0.08 -4.96 120.40 117.71 2dnc s VAL 66 Ca -0.16 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2dnc s VAL 66 Cb 0.07 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2dnc s VAL 66 CO 0.64 -0.06 1.11 -1.61 0.00 0.00 0.00 175.10 175.18 2dnc s GLU 67 N 1.49 2.77 0.60 2.72 8.01 -1.26 -4.85 118.70 128.18 2dnc s GLU 67 Ca 0.01 0.43 -0.20 0.00 0.01 0.00 0.00 54.97 55.22 2dnc s GLU 67 Cb -0.18 -2.01 -0.03 0.00 -4.31 0.00 0.00 34.13 27.59 2dnc s GLU 67 CO 0.04 -1.09 1.33 -0.85 0.01 0.00 0.00 175.26 174.70 2dnc n GLU 68 N -3.04 1.41 0.00 1.61 0.28 -1.26 -3.04 120.64 116.60 2dnc n GLU 68 Ca 0.07 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 2dnc n GLU 68 Cb 0.58 -2.56 0.00 0.00 1.43 0.00 0.00 31.44 30.88 2dnc n GLU 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnc n GLY 69 N 0.84 0.25 3.68 -1.84 0.00 -0.49 -5.00 105.19 102.62 2dnc n GLY 69 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.40 7.01 0.51 1.61 0.01 -1.17 -4.99 113.70 114.28 2dnc s SER 70 Ca 0.00 1.23 0.08 0.00 1.31 0.00 0.00 55.95 58.57 2dnc s SER 70 Cb 0.00 -2.46 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2dnc s SER 70 CO 0.00 -0.35 0.57 -0.54 0.41 0.00 0.00 173.24 173.33 2dnc s LYS 71 N 1.87 2.43 -0.30 12.44 -0.14 -1.26 -2.04 119.74 132.75 2dnc s LYS 71 Ca 0.40 -1.64 -0.22 0.00 -1.36 0.00 0.00 55.97 53.15 2dnc s LYS 71 Cb -0.17 -2.48 0.03 0.00 -1.68 0.00 0.00 37.83 33.53 2dnc s LYS 71 CO 0.15 -0.56 0.40 0.09 -0.76 0.00 0.00 175.35 174.67 2dnc n ASN 72 N -1.91 -6.30 -3.91 2.83 4.13 -1.05 -4.91 115.26 104.14 2dnc n ASN 72 Ca 0.08 0.22 -0.29 0.00 1.68 0.00 0.00 54.58 56.26 2dnc n ASN 72 Cb 0.62 -2.32 -0.13 0.00 -1.54 0.00 0.00 39.78 36.40 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dnc s ILE 73 N -1.46 2.57 1.13 2.41 -1.09 0.50 -4.86 121.20 120.39 2dnc s ILE 73 Ca 0.22 -3.55 -0.17 0.00 -2.23 0.00 0.00 60.65 54.93 2dnc s ILE 73 Cb -0.03 -2.75 0.20 0.00 -1.58 0.00 0.00 42.46 38.30 2dnc s ILE 73 CO 0.58 -0.87 0.39 -2.11 -1.23 0.00 0.00 174.94 171.70 2dnc n ARG 74 N 2.79 -2.66 -2.67 2.79 0.00 -1.26 0.54 116.66 116.19 2dnc n ARG 74 Ca 0.10 -0.78 -0.31 0.00 -0.00 0.00 0.00 57.85 56.86 2dnc n ARG 74 Cb 0.33 -1.63 -0.04 0.00 -0.00 0.00 0.00 32.46 31.12 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dnc s LEU 75 N -2.00 3.75 -0.62 2.89 1.43 -1.16 -4.09 118.68 118.88 2dnc s LEU 75 Ca 0.48 1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 54.88 2dnc s LEU 75 Cb -0.09 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2dnc s LEU 75 CO 0.46 -0.47 0.53 0.61 0.23 0.00 0.00 176.35 177.71 2dnc n GLY 76 N -1.36 0.27 3.10 -3.19 0.00 -1.24 -4.94 105.19 97.83 2dnc n GLY 76 Ca 0.04 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.13 3.28 0.03 1.61 0.01 -1.26 -4.89 113.70 109.36 2dnc s SER 77 Ca 0.26 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 2dnc s SER 77 Cb -0.12 -1.45 -0.08 0.00 0.21 0.00 0.00 66.02 64.59 2dnc s SER 77 CO 0.32 -0.04 1.83 -0.76 0.41 0.00 0.00 173.24 175.00 2dnc s LEU 78 N 1.29 4.39 -0.06 2.44 1.43 -1.26 -2.81 118.68 124.11 2dnc s LEU 78 Ca 0.03 2.56 0.10 0.00 -1.03 0.00 0.00 54.13 55.78 2dnc s LEU 78 Cb -0.14 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.40 2dnc s LEU 78 CO -0.11 -0.99 0.13 2.30 0.23 0.00 0.00 176.35 177.90 2dnc n ILE 79 N 5.31 0.36 -3.60 -0.59 -5.35 -0.73 -4.02 119.36 110.73 2dnc n ILE 79 Ca 0.18 -0.34 -0.05 0.00 -0.27 0.00 0.00 62.75 62.27 2dnc n ILE 79 Cb 0.41 -0.27 -0.04 0.00 -1.74 0.00 0.00 39.64 38.01 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 -3.75 -0.16 0.23 3.28 0.00 -1.25 0.19 107.32 105.85 2dnc s GLY 80 Ca -0.04 2.12 0.09 0.00 0.00 0.00 0.00 44.72 46.89 2dnc s GLY 80 CO 0.42 0.86 -0.05 -2.27 0.00 0.00 0.00 173.10 172.06 2dnc s LEU 81 N -1.51 3.08 0.04 0.66 0.20 -0.91 -0.44 118.68 119.81 2dnc s LEU 81 Ca 0.06 -0.63 0.08 0.00 0.69 0.00 0.00 54.13 54.33 2dnc s LEU 81 Cb -0.01 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 2dnc s LEU 81 CO -0.04 0.05 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.22 2dnc s ILE 82 N -2.06 1.77 -0.06 6.68 1.01 0.87 -0.31 121.20 129.09 2dnc s ILE 82 Ca 0.29 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2dnc s ILE 82 Cb -0.07 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2dnc s ILE 82 CO 0.18 0.26 -0.14 0.68 0.00 0.00 0.00 174.94 175.91 2dnc s VAL 83 N -0.78 1.29 -0.14 2.92 -7.23 0.62 -0.95 120.40 116.12 2dnc s VAL 83 Ca 0.08 -0.58 -0.40 0.00 -1.81 0.00 0.00 61.98 59.27 2dnc s VAL 83 Cb -0.09 -1.15 -0.18 0.00 0.56 0.00 0.00 36.38 35.52 2dnc s VAL 83 CO 0.02 0.39 1.41 -0.62 -0.31 0.00 0.00 175.10 175.99 2dnc n GLU 84 N 3.65 0.60 -1.31 4.82 1.02 -1.26 -0.71 120.64 127.45 2dnc n GLU 84 Ca -0.21 0.22 -0.45 0.00 -0.02 0.00 0.00 57.16 56.69 2dnc n GLU 84 Cb 0.52 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 2dnc n GLU 84 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dnc n GLU 85 N 3.21 0.00 0.00 3.49 1.02 -1.26 -1.69 120.64 125.40 2dnc n GLU 85 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2dnc n GLU 85 Cb 0.10 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 1.86 2.65 3.07 0.62 0.00 -1.26 -5.03 105.19 107.10 2dnc n GLY 86 Ca 0.17 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.00 -2.41 1.61 -0.58 -0.68 -4.72 120.64 113.86 2dnc n GLU 87 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 2dnc n GLU 87 Cb 0.00 -0.93 -0.04 0.00 -0.57 0.00 0.00 31.44 29.90 2dnc n GLU 87 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2dnc s ASP 88 N -0.93 6.11 0.12 1.62 -4.77 -1.26 -4.80 116.67 112.75 2dnc s ASP 88 Ca 0.55 -1.24 -0.21 0.00 -3.30 0.00 0.00 52.55 48.35 2dnc s ASP 88 Cb -0.55 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 38.65 2dnc s ASP 88 CO 0.60 -1.87 1.72 4.11 0.70 0.00 0.00 175.17 180.43 2dnc h TRP 89 N 10.20 -0.07 -2.37 2.11 5.08 -1.94 -3.41 115.95 125.55 2dnc h TRP 89 Ca 0.17 0.01 -0.56 0.00 1.08 0.00 0.00 58.89 59.59 2dnc h TRP 89 Cb 1.01 0.05 0.05 0.00 -3.00 0.00 0.00 29.16 27.27 2dnc h TRP 89 CO 1.26 -0.06 0.94 1.17 -1.28 0.00 0.00 178.44 180.48 2dnc n LYS 90 N -5.16 2.41 -2.07 0.12 4.81 -1.26 -4.86 118.16 112.15 2dnc n LYS 90 Ca -0.04 0.87 -0.43 0.00 -0.87 0.00 0.00 58.31 57.85 2dnc n LYS 90 Cb 0.10 -2.69 -0.03 0.00 0.02 0.00 0.00 35.03 32.43 2dnc n LYS 90 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2dnc s HIS 91 N 1.67 1.95 -0.51 5.64 3.76 -1.26 -4.93 115.29 121.61 2dnc s HIS 91 Ca 0.80 0.60 0.03 0.00 -0.15 0.00 0.00 55.06 56.34 2dnc s HIS 91 Cb -0.61 -4.12 0.14 0.00 1.11 0.00 0.00 32.58 29.11 2dnc s HIS 91 CO 0.38 -2.86 0.30 0.08 -0.85 0.00 0.00 174.74 171.79 2dnc s VAL 92 N 6.23 1.95 0.24 -0.90 1.01 -1.26 -5.09 120.40 122.58 2dnc s VAL 92 Ca 0.76 -3.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.32 2dnc s VAL 92 Cb -0.22 -2.34 -0.15 0.00 0.00 0.00 0.00 36.38 33.67 2dnc s VAL 92 CO 0.33 -0.92 0.90 -0.24 0.00 0.00 0.00 175.10 175.17 2dnc n SER 93 N 3.05 0.60 0.00 3.32 2.88 -1.26 -4.91 113.62 117.29 2dnc n SER 93 Ca 0.12 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2dnc n SER 93 Cb 0.35 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2dnc n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnc n GLY 94 N 1.55 -1.51 3.24 0.46 0.00 -1.26 -5.04 105.19 102.63 2dnc n GLY 94 Ca 0.13 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 2dnc n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnc n PRO 95 N -0.19 2.28 -3.27 1.61 -0.04 -1.26 -4.71 135.00 129.43 2dnc n PRO 95 Ca 0.00 -2.54 0.03 0.00 -0.04 0.00 0.00 63.50 60.95 2dnc n PRO 95 Cb 0.00 -3.35 -0.03 0.00 -0.04 0.00 0.00 33.50 30.08 2dnc n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dnc s SER 96 N 4.71 -0.38 -0.00 3.54 0.01 -1.26 -5.07 113.70 115.26 2dnc s SER 96 Ca 0.57 0.44 -0.24 0.00 1.31 0.00 0.00 55.95 58.03 2dnc s SER 96 Cb 0.08 1.40 -0.14 0.00 0.21 0.00 0.00 66.02 67.57 2dnc s SER 96 CO 0.06 -0.07 1.03 0.28 0.41 0.00 0.00 173.24 174.95 2dnc h SER 97 N 7.49 -0.61 0.00 2.44 0.02 -2.02 -3.50 113.55 117.36 2dnc h SER 97 Ca -0.14 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2dnc h SER 97 Cb 1.13 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2dnc h SER 97 CO 0.03 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.11