#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 -6.98 -3.53 1.61 2.88 -1.26 -4.91 113.62 101.43 2dnc n SER 2 Ca 0.00 1.05 -0.26 0.00 -1.33 0.00 0.00 58.87 58.34 2dnc n SER 2 Cb 0.00 -4.07 -0.15 0.00 -0.75 0.00 0.00 64.21 59.24 2dnc n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnc s SER 3 N -6.83 2.81 -0.31 -3.46 0.01 -1.26 -5.06 113.70 99.59 2dnc s SER 3 Ca 0.00 -0.96 -0.09 0.00 1.31 0.00 0.00 55.95 56.21 2dnc s SER 3 Cb 0.00 -0.15 0.19 0.00 0.21 0.00 0.00 66.02 66.27 2dnc s SER 3 CO 0.00 -0.40 1.02 -0.83 0.41 0.00 0.00 173.24 173.44 2dnc s GLY 4 N 2.16 -1.21 0.06 3.44 0.00 -1.26 -5.06 107.32 105.46 2dnc s GLY 4 Ca 0.07 1.67 0.00 0.00 0.00 0.00 0.00 44.72 46.46 2dnc s GLY 4 CO -0.27 4.17 0.00 1.44 0.00 0.00 0.00 173.10 178.44 2dnc n SER 5 N 4.49 0.37 0.21 1.64 7.64 -1.26 -4.80 113.62 121.91 2dnc n SER 5 Ca 0.08 0.10 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 2dnc n SER 5 Cb 0.60 -0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 2dnc n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dnc h SER 6 N 0.00 -1.08 -1.21 6.43 0.02 -1.98 -3.43 113.55 112.29 2dnc h SER 6 Ca 0.00 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2dnc h SER 6 Cb 0.43 0.36 0.05 0.00 0.14 0.00 0.00 62.40 63.38 2dnc h SER 6 CO 0.00 -0.50 -0.04 0.61 -1.14 0.00 0.00 176.83 175.76 2dnc n GLY 7 N -1.42 -2.64 3.36 -3.77 0.00 -1.26 -4.92 105.19 94.54 2dnc n GLY 7 Ca -0.09 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.13 4.81 -0.11 -0.61 1.01 0.18 -4.93 121.20 120.42 2dnc s ILE 8 Ca 0.15 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2dnc s ILE 8 Cb -0.03 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2dnc s ILE 8 CO 0.12 -0.45 1.12 -1.59 0.00 0.00 0.00 174.94 174.14 2dnc s LYS 9 N 1.57 4.35 -0.71 2.79 -2.85 -1.26 0.17 119.74 123.80 2dnc s LYS 9 Ca 0.03 1.53 -0.24 0.00 -1.00 0.00 0.00 55.97 56.30 2dnc s LYS 9 Cb -0.22 -3.59 0.06 0.00 -2.06 0.00 0.00 37.83 32.02 2dnc s LYS 9 CO 0.06 -0.45 1.09 0.42 0.10 0.00 0.00 175.35 176.56 2dnc s ILE 10 N 2.42 4.15 0.06 3.79 1.01 0.19 -4.97 121.20 127.85 2dnc s ILE 10 Ca 0.52 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 2dnc s ILE 10 Cb -0.21 -4.77 -0.06 0.00 0.01 0.00 0.00 42.46 37.42 2dnc s ILE 10 CO 0.18 -1.60 0.50 -0.76 0.00 0.00 0.00 174.94 173.26 2dnc s LEU 11 N 4.51 4.47 -0.18 2.97 1.43 -1.26 -1.81 118.68 128.82 2dnc s LEU 11 Ca 0.27 1.11 -0.34 0.00 -1.03 0.00 0.00 54.13 54.14 2dnc s LEU 11 Cb -0.13 -2.85 -0.11 0.00 0.03 0.00 0.00 46.19 43.13 2dnc s LEU 11 CO 0.10 0.26 1.99 0.80 0.23 0.00 0.00 176.35 179.72 2dnc n MET 12 N 1.57 1.83 -1.72 1.70 0.00 -0.56 -4.87 117.12 115.06 2dnc n MET 12 Ca -0.11 0.62 -0.31 0.00 -0.00 0.00 0.00 57.70 57.90 2dnc n MET 12 Cb 0.52 -2.64 0.04 0.00 0.00 0.00 0.00 33.22 31.13 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 4.83 3.07 -1.12 2.12 0.04 -1.26 -3.54 135.00 139.14 2dnc s PRO 13 Ca 0.98 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.97 2dnc s PRO 13 Cb -0.71 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2dnc s PRO 13 CO 0.50 -0.99 2.87 -1.13 0.04 0.00 0.00 177.00 178.29 2dnc n SER 14 N -2.78 7.69 -0.39 6.66 3.41 -1.26 -4.72 113.62 122.22 2dnc n SER 14 Ca 0.08 -2.81 -0.08 0.00 -0.26 0.00 0.00 58.87 55.79 2dnc n SER 14 Cb 0.53 -1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 62.99 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 5.84 -1.92-10.10 1.04 3.38 -1.97 -3.39 115.31 108.19 2dnc h LEU 15 Ca 0.65 0.32 -0.47 0.00 0.09 0.00 0.00 57.88 58.48 2dnc h LEU 15 Cb 0.55 0.89 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2dnc h LEU 15 CO 1.32 -0.26 0.27 -0.55 0.09 0.00 0.00 178.44 179.32 2dnc s SER 16 N -5.43 6.78 0.34 -0.43 0.15 -1.26 -4.97 113.70 108.87 2dnc s SER 16 Ca -0.13 1.51 0.18 0.00 0.70 0.00 0.00 55.95 58.21 2dnc s SER 16 Cb 0.14 -2.47 0.48 0.00 -1.71 0.00 0.00 66.02 62.45 2dnc s SER 16 CO 0.65 -0.39 1.63 1.55 1.20 0.00 0.00 173.24 177.88 2dnc h PRO 17 N 1.65 0.00 -1.18 5.44 0.13 -2.02 -3.31 132.00 132.71 2dnc h PRO 17 Ca -0.48 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 2dnc h PRO 17 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2dnc h PRO 17 CO 0.62 0.42 -1.09 0.25 -0.23 0.00 0.00 178.00 177.97 2dnc n THR 18 N -3.40 1.27 -4.04 1.56 -2.24 -1.26 -5.09 114.28 101.08 2dnc n THR 18 Ca 0.01 -3.58 -0.32 0.00 -2.27 0.00 0.00 64.05 57.89 2dnc n THR 18 Cb 0.59 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 -3.18 3.10 -0.08 -0.78 0.00 -1.25 -5.01 119.30 112.10 2dnc s MET 19 Ca 0.33 -0.53 0.09 0.00 0.00 0.00 0.00 55.69 55.58 2dnc s MET 19 Cb 0.44 -2.87 -0.13 0.00 0.00 0.00 0.00 34.83 32.27 2dnc s MET 19 CO -0.02 0.62 0.08 0.39 0.00 0.00 0.00 175.02 176.08 2dnc n GLU 20 N 0.78 1.95 -3.74 4.11 4.71 -1.26 -4.96 120.64 122.22 2dnc n GLU 20 Ca -0.10 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.16 56.94 2dnc n GLU 20 Cb 0.52 -1.26 -0.02 0.00 -1.01 0.00 0.00 31.44 29.67 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 -2.35 1.61 0.00 3.49 -1.05 -1.26 -3.09 118.70 116.06 2dnc s GLU 21 Ca -0.05 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2dnc s GLU 21 Cb 0.04 0.59 -0.00 0.00 -0.44 0.00 0.00 34.13 34.32 2dnc s GLU 21 CO 0.42 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 176.31 2dnc n GLY 22 N -0.44 4.10 3.15 -3.83 0.00 0.70 -4.74 105.19 104.13 2dnc n GLY 22 Ca -0.07 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.01 -0.40 -0.33 1.61 0.01 -1.14 0.65 114.94 114.33 2dnc s ASN 23 Ca 0.00 0.73 -0.29 0.00 -0.71 0.00 0.00 52.86 52.60 2dnc s ASN 23 Cb 0.00 1.54 -0.01 0.00 0.41 0.00 0.00 41.25 43.19 2dnc s ASN 23 CO 0.00 -0.26 1.55 -0.63 -1.51 0.00 0.00 177.10 176.24 2dnc s ILE 24 N 2.67 3.77 -0.04 0.60 1.09 -1.09 0.29 121.20 128.49 2dnc s ILE 24 Ca 0.08 0.82 -0.18 0.00 -1.10 0.00 0.00 60.65 60.27 2dnc s ILE 24 Cb -0.14 -3.94 -0.12 0.00 -1.06 0.00 0.00 42.46 37.20 2dnc s ILE 24 CO -0.16 -0.53 0.75 0.58 -0.10 0.00 0.00 174.94 175.47 2dnc h VAL 25 N 6.43 0.45 -2.63 2.92 2.07 -0.57 -1.51 116.25 123.40 2dnc h VAL 25 Ca -0.30 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.24 2dnc h VAL 25 Cb 1.13 0.74 -0.21 0.00 -1.52 0.00 0.00 31.29 31.44 2dnc h VAL 25 CO 1.05 0.11 -0.12 -0.75 0.02 0.00 0.00 177.57 177.88 2dnc s LYS 26 N -3.36 0.74 -0.22 1.57 2.20 -1.26 -3.68 119.74 115.72 2dnc s LYS 26 Ca -0.10 0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.47 2dnc s LYS 26 Cb 0.01 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 2dnc s LYS 26 CO 0.36 -0.19 0.71 -1.58 -0.36 0.00 0.00 175.35 174.29 2dnc s TRP 27 N -0.82 3.34 -0.89 4.03 0.52 -1.26 -1.62 118.94 122.23 2dnc s TRP 27 Ca -0.09 0.99 0.25 0.00 0.02 0.00 0.00 56.10 57.28 2dnc s TRP 27 Cb -0.03 -2.91 1.00 0.00 -1.15 0.00 0.00 33.47 30.38 2dnc s TRP 27 CO 0.05 -0.29 1.79 1.28 0.02 0.00 0.00 176.95 179.80 2dnc n LEU 28 N 5.53 0.25 -4.39 2.99 4.77 0.43 -4.79 117.00 121.79 2dnc n LEU 28 Ca 0.02 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 2dnc n LEU 28 Cb 0.49 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2dnc n LEU 28 CO 0.45 -0.14 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.46 2dnc s LYS 29 N -3.05 1.46 0.38 3.23 -0.14 -0.93 -4.98 119.74 115.70 2dnc s LYS 29 Ca 0.11 -1.73 0.08 0.00 -1.36 0.00 0.00 55.97 53.08 2dnc s LYS 29 Cb 0.15 -1.02 -0.07 0.00 -1.68 0.00 0.00 37.83 35.21 2dnc s LYS 29 CO 0.48 0.03 0.00 0.15 -0.76 0.00 0.00 175.35 175.26 2dnc s LYS 30 N -3.74 1.98 -0.11 1.68 -0.14 -1.26 -5.05 119.74 113.10 2dnc s LYS 30 Ca 0.28 -1.95 -0.29 0.00 -1.36 0.00 0.00 55.97 52.65 2dnc s LYS 30 Cb 0.03 -1.77 -0.03 0.00 -1.68 0.00 0.00 37.83 34.39 2dnc s LYS 30 CO 0.10 0.04 1.37 -1.21 -0.76 0.00 0.00 175.35 174.89 2dnc s GLU 31 N -3.71 4.23 0.00 1.68 2.02 -1.26 -2.28 118.70 119.39 2dnc s GLU 31 Ca 0.35 1.83 0.00 0.00 0.02 0.00 0.00 54.97 57.17 2dnc s GLU 31 Cb 0.05 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2dnc s GLU 31 CO 0.18 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 175.16 2dnc n GLY 32 N 3.73 1.06 3.86 -1.39 0.00 0.44 -5.00 105.19 107.90 2dnc n GLY 32 Ca 0.14 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 3.79 0.78 1.61 0.41 -0.96 -4.58 118.70 119.13 2dnc s GLU 33 Ca 0.00 0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 55.13 2dnc s GLU 33 Cb 0.00 -2.23 0.06 0.00 -1.78 0.00 0.00 34.13 30.18 2dnc s GLU 33 CO 0.00 -0.24 1.12 0.00 -0.49 0.00 0.00 175.26 175.65 2dnc s ALA 34 N -2.65 2.53 -0.01 5.21 0.00 -1.26 0.16 121.76 125.74 2dnc s ALA 34 Ca 0.55 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 2dnc s ALA 34 Cb -0.10 -3.03 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 2dnc s ALA 34 CO 0.37 -1.57 0.06 0.08 0.00 0.00 0.00 175.76 174.70 2dnc s VAL 35 N -3.35 0.05 -0.03 0.00 1.01 0.49 -4.72 120.40 113.84 2dnc s VAL 35 Ca 0.60 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2dnc s VAL 35 Cb -0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 2dnc s VAL 35 CO 0.52 -0.22 -0.13 -0.44 0.00 0.00 0.00 175.10 174.82 2dnc s SER 36 N -0.70 1.70 0.19 3.32 0.01 -1.26 -1.39 113.70 115.56 2dnc s SER 36 Ca -0.08 -0.27 -0.33 0.00 1.31 0.00 0.00 55.95 56.58 2dnc s SER 36 Cb -0.05 -0.44 -0.14 0.00 0.21 0.00 0.00 66.02 65.61 2dnc s SER 36 CO 0.00 0.12 1.54 0.00 0.41 0.00 0.00 173.24 175.31 2dnc n ALA 37 N 3.18 1.43 0.00 1.44 0.00 -1.26 -1.24 120.51 124.06 2dnc n ALA 37 Ca -0.18 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2dnc n ALA 37 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2dnc n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dnc n GLY 38 N 3.08 3.10 3.77 0.00 0.00 0.11 -4.89 105.19 110.35 2dnc n GLY 38 Ca 0.15 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 0.07 6.31 0.29 1.61 1.11 -0.37 -4.41 116.67 121.27 2dnc s ASP 39 Ca 0.00 2.74 -0.29 0.00 0.18 0.00 0.00 52.55 55.18 2dnc s ASP 39 Cb 0.00 -2.65 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 2dnc s ASP 39 CO 0.00 -0.86 1.24 0.00 1.18 0.00 0.00 175.17 176.72 2dnc s ALA 40 N -1.22 3.47 -0.23 5.23 0.00 -1.26 -0.16 121.76 127.59 2dnc s ALA 40 Ca 0.56 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.50 2dnc s ALA 40 Cb -0.40 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 2dnc s ALA 40 CO 0.52 -0.46 -0.32 1.28 0.00 0.00 0.00 175.76 176.79 2dnc n LEU 41 N 1.29 1.75 -4.04 0.00 4.77 0.45 -4.75 117.00 116.47 2dnc n LEU 41 Ca 0.01 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2dnc n LEU 41 Cb 0.43 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 2dnc n LEU 41 CO 0.57 0.34 0.18 0.00 -1.33 0.00 0.00 177.39 177.16 2dnc s GLU 43 N -3.18 3.32 -0.11 0.00 2.02 -0.64 0.44 118.70 120.56 2dnc s GLU 43 Ca 0.27 -0.72 -0.17 0.00 0.02 0.00 0.00 54.97 54.38 2dnc s GLU 43 Cb -0.01 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2dnc s GLU 43 CO 0.17 -0.40 0.43 0.42 0.02 0.00 0.00 175.26 175.90 2dnc s ILE 44 N 1.59 5.19 -0.06 -1.63 -1.09 0.46 0.16 121.20 125.82 2dnc s ILE 44 Ca 0.04 0.85 -0.16 0.00 -2.23 0.00 0.00 60.65 59.15 2dnc s ILE 44 Cb -0.17 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2dnc s ILE 44 CO 0.05 0.37 0.42 -0.70 -1.23 0.00 0.00 174.94 173.86 2dnc s GLU 45 N 0.36 4.13 0.03 2.79 2.12 0.15 0.10 118.70 128.38 2dnc s GLU 45 Ca 0.24 0.40 -0.06 0.00 0.36 0.00 0.00 54.97 55.90 2dnc s GLU 45 Cb -0.15 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 2dnc s GLU 45 CO 0.09 0.43 0.11 0.95 -0.54 0.00 0.00 175.26 176.31 2dnc s THR 46 N -0.24 0.11 0.25 -1.70 -4.23 -0.88 -2.89 115.64 106.06 2dnc s THR 46 Ca 0.24 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.70 2dnc s THR 46 Cb -0.16 -0.73 0.37 0.00 1.34 0.00 0.00 72.50 73.32 2dnc s THR 46 CO 0.11 -0.52 1.58 0.44 -0.54 0.00 0.00 174.62 175.70 2dnc h ASP 47 N 3.86 -0.82 0.00 3.99 3.32 -1.98 -2.04 116.42 122.76 2dnc h ASP 47 Ca -0.32 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2dnc h ASP 47 Cb 1.19 0.54 0.00 0.00 0.22 0.00 0.00 39.33 41.28 2dnc h ASP 47 CO 0.47 -0.28 0.00 1.17 -1.72 0.00 0.00 179.24 178.87 2dnc n LYS 48 N -5.55 0.00 -1.25 3.56 0.00 -1.26 -4.96 118.16 108.70 2dnc n LYS 48 Ca 0.13 0.46 -0.01 0.00 0.00 0.00 0.00 58.31 58.89 2dnc n LYS 48 Cb 0.43 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.26 2dnc n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dnc n ALA 49 N -1.48 -0.12 -2.61 3.14 0.00 -0.77 -5.10 120.51 113.57 2dnc n ALA 49 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2dnc n ALA 49 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.90 3.95 0.55 0.00 0.11 -1.26 -2.08 120.40 118.78 2dnc s VAL 50 Ca 0.01 0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 59.52 2dnc s VAL 50 Cb -0.00 -4.79 0.03 0.00 -1.53 0.00 0.00 36.38 30.08 2dnc s VAL 50 CO 0.01 -1.57 0.79 -0.69 -3.33 0.00 0.00 175.10 170.31 2dnc s VAL 51 N 5.11 2.96 0.06 2.04 1.01 0.29 -4.90 120.40 126.96 2dnc s VAL 51 Ca 0.35 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2dnc s VAL 51 Cb -0.09 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2dnc s VAL 51 CO 0.18 -0.10 -0.24 -0.89 0.00 0.00 0.00 175.10 174.06 2dnc s THR 52 N -2.80 1.92 -0.34 3.92 2.01 -1.26 0.18 115.64 119.27 2dnc s THR 52 Ca 0.56 -1.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 2dnc s THR 52 Cb -0.10 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 2dnc s THR 52 CO 0.40 0.22 0.46 -0.22 -0.69 0.00 0.00 174.62 174.78 2dnc s LEU 53 N -1.39 4.35 0.19 4.42 0.20 0.17 -4.76 118.68 121.86 2dnc s LEU 53 Ca 0.10 -0.06 -0.13 0.00 0.69 0.00 0.00 54.13 54.73 2dnc s LEU 53 Cb -0.10 -2.50 -0.07 0.00 -0.43 0.00 0.00 46.19 43.09 2dnc s LEU 53 CO 0.03 -0.41 0.57 1.51 -0.29 0.00 0.00 176.35 177.75 2dnc s ASP 54 N 1.74 6.76 0.22 3.68 1.47 -1.26 0.17 116.67 129.44 2dnc s ASP 54 Ca 0.16 1.05 -0.30 0.00 1.18 0.00 0.00 52.55 54.65 2dnc s ASP 54 Cb -0.16 -2.28 -0.09 0.00 -0.34 0.00 0.00 42.92 40.06 2dnc s ASP 54 CO 0.12 0.01 1.20 0.00 0.68 0.00 0.00 175.17 177.19 2dnc s ALA 55 N -1.63 3.44 -0.12 2.11 0.00 0.77 -4.81 121.76 121.52 2dnc s ALA 55 Ca 0.43 0.98 0.17 0.00 0.00 0.00 0.00 51.96 53.54 2dnc s ALA 55 Cb -0.13 -3.41 -0.22 0.00 0.00 0.00 0.00 23.12 19.36 2dnc s ALA 55 CO 0.20 -0.37 0.50 0.45 0.00 0.00 0.00 175.76 176.54 2dnc n SER 56 N 2.12 0.45 -3.95 0.00 2.88 -1.26 0.08 113.62 113.95 2dnc n SER 56 Ca 0.03 0.20 -0.10 0.00 -1.33 0.00 0.00 58.87 57.68 2dnc n SER 56 Cb 0.44 0.68 -0.11 0.00 -0.75 0.00 0.00 64.21 64.48 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 -5.54 0.17 -0.06 -3.46 1.01 -1.26 -4.77 116.67 102.77 2dnc s ASP 57 Ca -0.06 -0.42 -0.20 0.00 0.71 0.00 0.00 52.55 52.58 2dnc s ASP 57 Cb 0.08 0.14 -0.05 0.00 1.01 0.00 0.00 42.92 44.11 2dnc s ASP 57 CO 0.83 -0.34 0.56 1.51 0.21 0.00 0.00 175.17 177.95 2dnc s ASP 58 N -1.50 6.86 0.00 0.27 1.47 -1.26 -4.25 116.67 118.26 2dnc s ASP 58 Ca -0.15 1.03 0.00 0.00 1.18 0.00 0.00 52.55 54.61 2dnc s ASP 58 Cb -0.08 -2.34 0.00 0.00 -0.34 0.00 0.00 42.92 40.16 2dnc s ASP 58 CO -0.01 0.03 0.00 0.61 0.68 0.00 0.00 175.17 176.48 2dnc n GLY 59 N 2.85 0.85 3.68 2.12 0.00 -0.48 -4.77 105.19 109.45 2dnc n GLY 59 Ca -0.06 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.27 5.04 -0.90 -0.61 -1.09 -0.16 0.18 121.20 121.39 2dnc s ILE 60 Ca 0.00 0.06 -0.25 0.00 -2.23 0.00 0.00 60.65 58.22 2dnc s ILE 60 Cb 0.00 -3.28 -0.11 0.00 -1.58 0.00 0.00 42.46 37.49 2dnc s ILE 60 CO 0.00 0.46 2.16 -0.22 -1.23 0.00 0.00 174.94 176.12 2dnc s LEU 61 N 0.27 2.92 0.01 2.97 0.20 0.43 -1.78 118.68 123.70 2dnc s LEU 61 Ca 0.06 -0.50 -0.05 0.00 0.69 0.00 0.00 54.13 54.33 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 -0.00 -3.52 1.08 0.00 -0.29 0.00 0.00 176.35 173.61 2dnc h ALA 62 N 11.77 -0.80 -2.70 5.97 0.00 -1.39 1.29 119.26 133.41 2dnc h ALA 62 Ca 0.06 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 2dnc h ALA 62 Cb 1.00 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 2dnc h ALA 62 CO 1.10 -0.80 -0.47 -1.59 0.00 0.00 0.00 179.25 177.48 2dnc s LYS 63 N -3.38 1.40 -0.54 0.00 -2.85 -1.09 -4.27 119.74 109.00 2dnc s LYS 63 Ca -0.02 -1.62 0.04 0.00 -1.00 0.00 0.00 55.97 53.37 2dnc s LYS 63 Cb 0.01 0.33 0.15 0.00 -2.06 0.00 0.00 37.83 36.25 2dnc s LYS 63 CO 0.08 -0.50 0.33 0.42 0.10 0.00 0.00 175.35 175.78 2dnc s ILE 64 N -3.95 2.03 0.15 3.79 1.01 -1.26 -1.05 121.20 121.92 2dnc s ILE 64 Ca 0.35 -3.29 -0.28 0.00 0.00 0.00 0.00 60.65 57.43 2dnc s ILE 64 Cb 0.04 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2dnc s ILE 64 CO 0.14 -0.95 1.44 0.52 0.00 0.00 0.00 174.94 176.10 2dnc n VAL 65 N 2.87 -0.63 -3.81 2.92 0.31 0.13 -3.86 118.33 116.26 2dnc n VAL 65 Ca 0.14 2.26 -0.36 0.00 -0.01 0.00 0.00 64.34 66.37 2dnc n VAL 65 Cb 0.36 -2.81 -0.13 0.00 -0.91 0.00 0.00 33.84 30.35 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 -5.49 4.16 0.84 2.52 1.01 0.11 -4.96 120.40 118.60 2dnc s VAL 66 Ca -0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2dnc s VAL 66 Cb 0.11 -2.93 0.18 0.00 0.00 0.00 0.00 36.38 33.73 2dnc s VAL 66 CO 0.59 0.36 1.15 -1.61 0.00 0.00 0.00 175.10 175.59 2dnc s GLU 67 N 1.51 1.07 0.34 2.72 0.41 -1.25 -4.77 118.70 118.72 2dnc s GLU 67 Ca 0.06 -0.96 -0.27 0.00 -0.41 0.00 0.00 54.97 53.39 2dnc s GLU 67 Cb -0.15 -2.13 -0.09 0.00 -1.78 0.00 0.00 34.13 29.98 2dnc s GLU 67 CO 0.02 -1.96 1.08 -1.83 -0.49 0.00 0.00 175.26 172.08 2dnc s GLU 68 N -5.49 4.39 0.00 1.61 -1.05 -1.26 -3.54 118.70 113.36 2dnc s GLU 68 Ca 0.71 1.69 0.00 0.00 -0.15 0.00 0.00 54.97 57.22 2dnc s GLU 68 Cb -0.03 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 2dnc s GLU 68 CO 0.49 0.02 0.00 0.41 0.95 0.00 0.00 175.26 177.12 2dnc n GLY 69 N 0.79 1.13 3.82 -3.83 0.00 -0.57 -4.99 105.19 101.55 2dnc n GLY 69 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.91 6.64 0.12 1.61 0.01 -1.23 -4.98 113.70 113.95 2dnc s SER 70 Ca 0.00 1.70 0.01 0.00 1.31 0.00 0.00 55.95 58.96 2dnc s SER 70 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2dnc s SER 70 CO 0.00 -0.57 -0.01 -1.59 0.41 0.00 0.00 173.24 171.48 2dnc s LYS 71 N -3.57 0.91 -0.66 12.44 0.00 -1.26 -2.68 119.74 124.91 2dnc s LYS 71 Ca 0.62 -1.41 -0.05 0.00 0.00 0.00 0.00 55.97 55.14 2dnc s LYS 71 Cb -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 37.83 37.68 2dnc s LYS 71 CO 0.22 -0.13 0.67 0.09 0.00 0.00 0.00 175.35 176.21 2dnc n ASN 72 N -0.09 -7.74 -4.13 0.03 5.03 -0.53 -4.95 115.26 102.87 2dnc n ASN 72 Ca -0.09 0.06 -0.37 0.00 0.87 0.00 0.00 54.58 55.05 2dnc n ASN 72 Cb 0.62 -5.20 -0.11 0.00 -1.02 0.00 0.00 39.78 34.07 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 -2.88 3.50 1.03 2.41 -1.09 0.21 -4.83 121.20 119.55 2dnc s ILE 73 Ca 0.07 -2.11 -0.12 0.00 -2.23 0.00 0.00 60.65 56.26 2dnc s ILE 73 Cb -0.02 -3.37 0.19 0.00 -1.58 0.00 0.00 42.46 37.68 2dnc s ILE 73 CO 0.76 -0.73 1.00 -2.11 -1.23 0.00 0.00 174.94 172.64 2dnc n ARG 74 N 4.52 -1.26 -1.81 2.79 0.00 -1.26 -0.22 116.66 119.43 2dnc n ARG 74 Ca -0.02 -0.32 -0.32 0.00 -0.00 0.00 0.00 57.85 57.19 2dnc n ARG 74 Cb 0.41 -2.24 0.03 0.00 -0.00 0.00 0.00 32.46 30.66 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 -6.28 3.33 -0.96 2.89 1.43 -1.18 -3.72 118.68 114.19 2dnc s LEU 75 Ca 0.67 1.75 -0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2dnc s LEU 75 Cb -0.23 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.47 2dnc s LEU 75 CO 0.62 -1.34 0.36 0.61 0.23 0.00 0.00 176.35 176.82 2dnc n GLY 76 N -1.35 -0.06 3.50 -3.19 0.00 -1.23 -4.93 105.19 97.93 2dnc n GLY 76 Ca 0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2dnc n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 77 N -2.81 4.08 -0.23 1.61 0.15 -1.24 -4.86 113.70 110.40 2dnc s SER 77 Ca 0.18 -0.31 -0.27 0.00 0.70 0.00 0.00 55.95 56.24 2dnc s SER 77 Cb -0.08 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 2dnc s SER 77 CO 0.22 0.27 0.95 -0.76 1.20 0.00 0.00 173.24 175.12 2dnc s LEU 78 N -1.36 4.10 -0.08 3.45 1.43 -1.26 -1.50 118.68 123.46 2dnc s LEU 78 Ca 0.15 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.58 2dnc s LEU 78 Cb -0.11 -3.40 -0.11 0.00 0.03 0.00 0.00 46.19 42.60 2dnc s LEU 78 CO 0.06 -0.59 0.04 2.30 0.23 0.00 0.00 176.35 178.39 2dnc n ILE 79 N 5.24 0.54 -3.50 -0.59 -5.35 -0.75 -4.02 119.36 110.92 2dnc n ILE 79 Ca 0.09 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 2dnc n ILE 79 Cb 0.47 -0.69 -0.04 0.00 -1.74 0.00 0.00 39.64 37.63 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 -3.97 -0.53 -0.06 3.28 0.00 -1.24 0.20 107.32 105.00 2dnc s GLY 80 Ca -0.04 1.21 0.04 0.00 0.00 0.00 0.00 44.72 45.93 2dnc s GLY 80 CO 0.35 0.72 -0.19 -2.27 0.00 0.00 0.00 173.10 171.71 2dnc s LEU 81 N -1.68 2.45 0.12 0.66 1.98 -0.22 0.54 118.68 122.53 2dnc s LEU 81 Ca -0.05 -0.34 0.08 0.00 -2.89 0.00 0.00 54.13 50.93 2dnc s LEU 81 Cb -0.00 -1.48 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 2dnc s LEU 81 CO 0.01 0.29 -0.13 -0.63 -1.89 0.00 0.00 176.35 174.00 2dnc s ILE 82 N -0.40 3.15 -0.03 6.68 1.01 0.13 -1.04 121.20 130.69 2dnc s ILE 82 Ca 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 2dnc s ILE 82 Cb -0.12 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.90 2dnc s ILE 82 CO 0.02 0.07 0.06 0.68 0.00 0.00 0.00 174.94 175.77 2dnc s VAL 83 N -1.27 -0.05 -0.44 2.92 -7.23 -0.73 0.47 120.40 114.06 2dnc s VAL 83 Ca 0.21 0.19 -0.43 0.00 -1.81 0.00 0.00 61.98 60.14 2dnc s VAL 83 Cb -0.10 -0.12 -0.18 0.00 0.56 0.00 0.00 36.38 36.53 2dnc s VAL 83 CO 0.13 0.08 1.87 -0.62 -0.31 0.00 0.00 175.10 176.24 2dnc n GLU 84 N 4.11 0.35 -1.51 4.82 -0.58 -1.26 -0.99 120.64 125.57 2dnc n GLU 84 Ca -0.26 0.12 -0.56 0.00 -0.42 0.00 0.00 57.16 56.03 2dnc n GLU 84 Cb 0.51 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 2dnc n GLU 84 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2dnc n GLU 85 N 5.86 0.28 0.00 3.49 0.00 -1.26 -1.82 120.64 127.18 2dnc n GLU 85 Ca 0.39 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.65 2dnc n GLU 85 Cb 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 29.88 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dnc n GLY 86 N 1.76 1.67 3.81 -1.84 0.00 -1.26 -5.01 105.19 104.32 2dnc n GLY 86 Ca 0.19 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2dnc n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dnc s GLU 87 N 0.00 3.31 -0.99 1.61 -6.30 -0.76 -4.88 118.70 110.69 2dnc s GLU 87 Ca 0.00 1.11 -0.25 0.00 -2.50 0.00 0.00 54.97 53.33 2dnc s GLU 87 Cb 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 34.13 31.98 2dnc s GLU 87 CO 0.00 -0.81 2.09 -0.51 0.02 0.00 0.00 175.26 176.05 2dnc s ASP 88 N -3.09 4.45 -0.00 -1.70 1.11 -1.26 -4.68 116.67 111.50 2dnc s ASP 88 Ca 0.61 -0.84 -0.23 0.00 0.18 0.00 0.00 52.55 52.28 2dnc s ASP 88 Cb -0.15 -2.57 -0.18 0.00 1.07 0.00 0.00 42.92 41.09 2dnc s ASP 88 CO 0.41 -3.54 1.25 4.11 1.18 0.00 0.00 175.17 178.58 2dnc h TRP 89 N 11.27 0.25 -1.86 4.23 5.08 -1.94 -3.44 115.95 129.53 2dnc h TRP 89 Ca 0.09 -0.09 -0.65 0.00 1.08 0.00 0.00 58.89 59.32 2dnc h TRP 89 Cb 0.98 -0.05 0.05 0.00 -3.00 0.00 0.00 29.16 27.15 2dnc h TRP 89 CO 1.16 0.71 0.59 1.17 -1.28 0.00 0.00 178.44 180.79 2dnc n LYS 90 N -4.64 1.48 -1.67 0.12 4.81 -1.26 -4.80 118.16 112.19 2dnc n LYS 90 Ca -0.08 0.53 -0.44 0.00 -0.87 0.00 0.00 58.31 57.45 2dnc n LYS 90 Cb 0.36 -2.22 -0.04 0.00 0.02 0.00 0.00 35.03 33.15 2dnc n LYS 90 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2dnc n HIS 91 N 2.99 2.47 -1.87 5.64 1.44 -1.26 -4.87 115.22 119.76 2dnc n HIS 91 Ca 0.18 -0.17 -0.42 0.00 -2.01 0.00 0.00 57.72 55.30 2dnc n HIS 91 Cb 0.22 -2.73 -0.03 0.00 0.12 0.00 0.00 29.99 27.57 2dnc n HIS 91 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2dnc s VAL 92 N 3.72 3.20 -0.47 0.61 0.11 -1.26 -4.95 120.40 121.36 2dnc s VAL 92 Ca 0.88 0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 60.29 2dnc s VAL 92 Cb -0.54 -3.26 0.13 0.00 -1.53 0.00 0.00 36.38 31.17 2dnc s VAL 92 CO 0.44 -0.02 0.29 -0.94 -3.33 0.00 0.00 175.10 171.53 2dnc s SER 93 N 3.36 5.34 0.00 3.54 1.04 -1.26 -4.99 113.70 120.74 2dnc s SER 93 Ca 0.78 -2.21 0.00 0.00 0.48 0.00 0.00 55.95 55.00 2dnc s SER 93 Cb -0.39 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2dnc s SER 93 CO 0.34 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2dnc n GLY 94 N 4.38 -0.44 2.50 7.32 0.00 -1.26 -5.01 105.19 112.67 2dnc n GLY 94 Ca -0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.39 2.74 0.00 1.61 -0.04 -1.26 -4.75 135.00 132.91 2dnc n PRO 95 Ca 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 2dnc n PRO 95 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 2dnc n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnc n SER 96 N 4.07 0.00 -4.30 3.54 2.88 -1.26 -4.83 113.62 113.72 2dnc n SER 96 Ca 0.59 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.76 2dnc n SER 96 Cb 0.18 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.70 2dnc n SER 96 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dnc n SER 97 N 1.58 -3.04 0.00 -3.46 7.64 -1.26 -5.05 113.62 110.03 2dnc n SER 97 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2dnc n SER 97 Cb 0.00 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2dnc n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64