#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 -3.89 -2.70 1.61 2.88 -1.26 -4.65 113.62 105.61 2dnc n SER 2 Ca 0.00 1.17 -0.02 0.00 -1.33 0.00 0.00 58.87 58.70 2dnc n SER 2 Cb 0.00 -3.83 -0.01 0.00 -0.75 0.00 0.00 64.21 59.61 2dnc n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dnc n SER 3 N 1.86 -5.85 -3.50 -3.46 2.88 -1.26 -5.07 113.62 99.22 2dnc n SER 3 Ca -0.22 1.40 -0.16 0.00 -1.33 0.00 0.00 58.87 58.56 2dnc n SER 3 Cb 0.37 -5.27 -0.05 0.00 -0.75 0.00 0.00 64.21 58.52 2dnc n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnc s GLY 4 N -1.35 -0.58 0.00 0.46 0.00 -1.26 -5.16 107.32 99.42 2dnc s GLY 4 Ca -0.08 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.78 2dnc s GLY 4 CO 0.78 0.78 0.00 -1.26 0.00 0.00 0.00 173.10 173.39 2dnc n SER 5 N 0.61 0.00 -3.56 1.64 2.88 -1.26 -5.13 113.62 108.80 2dnc n SER 5 Ca -0.18 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.07 2dnc n SER 5 Cb 0.59 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.90 2dnc n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnc s SER 6 N 0.00 3.53 -0.00 -3.46 0.01 -1.26 -5.11 113.70 107.40 2dnc s SER 6 Ca 0.00 -1.29 -0.29 0.00 1.31 0.00 0.00 55.95 55.69 2dnc s SER 6 Cb 0.00 -0.39 0.10 0.00 0.21 0.00 0.00 66.02 65.95 2dnc s SER 6 CO 0.00 -0.43 1.27 -0.83 0.41 0.00 0.00 173.24 173.65 2dnc s GLY 7 N 2.06 -0.20 -0.40 3.44 0.00 -1.26 -4.91 107.32 106.04 2dnc s GLY 7 Ca 0.09 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.89 2dnc s GLY 7 CO -0.35 3.53 0.29 -0.42 0.00 0.00 0.00 173.10 176.15 2dnc s ILE 8 N -2.17 5.21 -0.12 0.90 1.01 0.15 -4.94 121.20 121.24 2dnc s ILE 8 Ca 0.24 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 60.00 2dnc s ILE 8 Cb 0.01 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2dnc s ILE 8 CO -0.01 -0.28 0.80 -1.59 0.00 0.00 0.00 174.94 173.86 2dnc s LYS 9 N 1.67 4.36 -0.45 2.79 -2.85 -1.26 0.10 119.74 124.11 2dnc s LYS 9 Ca 0.05 1.01 -0.21 0.00 -1.00 0.00 0.00 55.97 55.81 2dnc s LYS 9 Cb -0.19 -3.53 0.03 0.00 -2.06 0.00 0.00 37.83 32.08 2dnc s LYS 9 CO 0.10 -0.19 0.68 0.42 0.10 0.00 0.00 175.35 176.46 2dnc s ILE 10 N 1.65 4.78 -0.09 3.79 1.01 0.18 -4.97 121.20 127.56 2dnc s ILE 10 Ca 0.39 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 61.16 2dnc s ILE 10 Cb -0.17 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2dnc s ILE 10 CO 0.15 -0.64 0.08 -0.76 0.00 0.00 0.00 174.94 173.77 2dnc s LEU 11 N 2.94 4.00 -0.26 2.97 1.43 -1.26 -0.69 118.68 127.80 2dnc s LEU 11 Ca 0.24 0.29 -0.34 0.00 -1.03 0.00 0.00 54.13 53.29 2dnc s LEU 11 Cb -0.14 -2.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.96 2dnc s LEU 11 CO 0.20 0.37 2.10 0.80 0.23 0.00 0.00 176.35 180.05 2dnc n MET 12 N 1.90 1.49 -1.55 1.70 0.00 -0.63 -4.84 117.12 115.19 2dnc n MET 12 Ca -0.18 0.46 -0.30 0.00 -0.00 0.00 0.00 57.70 57.68 2dnc n MET 12 Cb 0.54 -2.62 0.10 0.00 0.00 0.00 0.00 33.22 31.25 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 5.58 1.78 -1.07 2.12 0.04 -1.26 -3.40 135.00 138.80 2dnc s PRO 13 Ca 1.03 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.56 2dnc s PRO 13 Cb -0.74 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.03 2dnc s PRO 13 CO 0.48 -1.81 2.44 -1.13 0.04 0.00 0.00 177.00 177.02 2dnc n SER 14 N -3.54 7.59 -0.29 6.66 3.41 -1.26 -4.73 113.62 121.46 2dnc n SER 14 Ca 0.07 -3.22 0.07 0.00 -0.26 0.00 0.00 58.87 55.53 2dnc n SER 14 Cb 0.57 -1.31 0.17 0.00 -0.26 0.00 0.00 64.21 63.39 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 4.99 -0.49-10.23 1.04 3.38 -1.96 -3.39 115.31 108.65 2dnc h LEU 15 Ca 0.61 0.23 -0.49 0.00 0.09 0.00 0.00 57.88 58.31 2dnc h LEU 15 Cb 0.40 0.42 0.02 0.00 0.09 0.00 0.00 40.66 41.60 2dnc h LEU 15 CO 1.30 -0.24 0.18 -0.55 0.09 0.00 0.00 178.44 179.22 2dnc s SER 16 N -5.17 6.41 0.12 -0.43 0.15 -1.26 -5.00 113.70 108.52 2dnc s SER 16 Ca -0.14 1.15 -0.08 0.00 0.70 0.00 0.00 55.95 57.59 2dnc s SER 16 Cb 0.24 -2.34 -0.12 0.00 -1.71 0.00 0.00 66.02 62.09 2dnc s SER 16 CO 0.76 -0.54 1.30 1.55 1.20 0.00 0.00 173.24 177.51 2dnc h PRO 17 N 0.67 0.57 -1.58 5.44 0.13 -2.02 -3.35 132.00 131.86 2dnc h PRO 17 Ca -0.47 -0.55 -0.50 0.00 -0.87 0.00 0.00 66.00 63.61 2dnc h PRO 17 Cb 1.19 0.14 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 2dnc h PRO 17 CO 0.63 1.18 -0.95 0.25 -0.23 0.00 0.00 178.00 178.88 2dnc n THR 18 N -3.83 1.61 -4.07 1.56 -2.24 -1.26 -5.07 114.28 100.99 2dnc n THR 18 Ca -0.08 -4.40 -0.35 0.00 -2.27 0.00 0.00 64.05 56.95 2dnc n THR 18 Cb 0.81 -0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.20 3.67 -0.04 -0.78 0.00 -1.26 -4.98 119.30 112.72 2dnc s MET 19 Ca 0.40 -0.32 0.18 0.00 0.00 0.00 0.00 55.69 55.95 2dnc s MET 19 Cb 0.39 -3.12 -0.21 0.00 0.00 0.00 0.00 34.83 31.89 2dnc s MET 19 CO -0.09 0.45 0.52 -1.91 0.00 0.00 0.00 175.02 173.99 2dnc n GLU 20 N 2.97 0.65 -3.81 4.11 2.13 -1.26 -4.94 120.64 120.48 2dnc n GLU 20 Ca -0.18 0.08 -0.05 0.00 0.66 0.00 0.00 57.16 57.67 2dnc n GLU 20 Cb 0.53 -1.67 -0.01 0.00 0.27 0.00 0.00 31.44 30.56 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2dnc s GLU 21 N -2.89 1.54 0.33 5.31 -1.05 -1.26 -3.25 118.70 117.42 2dnc s GLU 21 Ca -0.06 -0.86 0.05 0.00 -0.15 0.00 0.00 54.97 53.95 2dnc s GLU 21 Cb 0.09 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 2dnc s GLU 21 CO 0.84 -0.71 0.22 0.20 0.95 0.00 0.00 175.26 176.76 2dnc s GLY 22 N -2.95 2.26 -0.07 -3.83 0.00 0.28 -4.83 107.32 98.18 2dnc s GLY 22 Ca 0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 44.72 42.96 2dnc s GLY 22 CO 0.05 -1.54 0.13 -1.31 0.00 0.00 0.00 173.10 170.43 2dnc s ASN 23 N -3.39 0.69 -0.27 1.64 0.01 -1.21 0.11 114.94 112.52 2dnc s ASN 23 Ca 0.37 0.26 -0.29 0.00 -0.71 0.00 0.00 52.86 52.49 2dnc s ASN 23 Cb 0.03 0.15 -0.00 0.00 0.41 0.00 0.00 41.25 41.84 2dnc s ASN 23 CO 0.23 -0.23 1.35 -0.63 -1.51 0.00 0.00 177.10 176.31 2dnc s ILE 24 N 2.05 4.08 -0.06 0.60 1.09 -1.26 0.33 121.20 128.03 2dnc s ILE 24 Ca 0.01 1.23 -0.11 0.00 -1.10 0.00 0.00 60.65 60.68 2dnc s ILE 24 Cb -0.12 -4.06 -0.07 0.00 -1.06 0.00 0.00 42.46 37.15 2dnc s ILE 24 CO -0.05 -0.41 0.44 0.58 -0.10 0.00 0.00 174.94 175.40 2dnc h VAL 25 N 5.94 0.11 -2.74 2.92 2.07 -0.86 -1.91 116.25 121.78 2dnc h VAL 25 Ca -0.27 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.30 2dnc h VAL 25 Cb 1.11 0.20 -0.25 0.00 -1.52 0.00 0.00 31.29 30.83 2dnc h VAL 25 CO 1.02 0.03 -0.26 -0.75 0.02 0.00 0.00 177.57 177.63 2dnc s LYS 26 N -2.71 0.45 -0.18 1.57 2.20 -1.26 -3.41 119.74 116.41 2dnc s LYS 26 Ca -0.06 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 2dnc s LYS 26 Cb 0.00 0.17 -0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2dnc s LYS 26 CO 0.19 -0.08 1.11 -1.58 -0.36 0.00 0.00 175.35 174.63 2dnc s TRP 27 N 0.47 3.22 -1.47 4.03 0.52 -1.26 -2.33 118.94 122.12 2dnc s TRP 27 Ca -0.02 1.34 0.30 0.00 0.02 0.00 0.00 56.10 57.75 2dnc s TRP 27 Cb -0.04 -3.33 1.55 0.00 -1.15 0.00 0.00 33.47 30.50 2dnc s TRP 27 CO -0.02 -0.84 2.07 1.28 0.02 0.00 0.00 176.95 179.46 2dnc n LEU 28 N 6.07 0.00 -4.27 2.99 4.77 0.50 -4.78 117.00 122.28 2dnc n LEU 28 Ca 0.12 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 2dnc n LEU 28 Cb 0.46 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2dnc n LEU 28 CO 0.53 -0.00 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.62 2dnc s LYS 29 N -2.53 1.11 0.40 3.23 -0.14 -0.87 -4.94 119.74 115.99 2dnc s LYS 29 Ca 0.30 -1.39 0.08 0.00 -1.36 0.00 0.00 55.97 53.60 2dnc s LYS 29 Cb 0.20 -0.88 -0.05 0.00 -1.68 0.00 0.00 37.83 35.42 2dnc s LYS 29 CO 0.46 0.15 0.16 0.15 -0.76 0.00 0.00 175.35 175.50 2dnc s LYS 30 N -3.21 2.22 0.01 1.68 -0.14 -1.26 -5.05 119.74 113.98 2dnc s LYS 30 Ca 0.14 -1.81 -0.30 0.00 -1.36 0.00 0.00 55.97 52.64 2dnc s LYS 30 Cb -0.02 -1.99 -0.05 0.00 -1.68 0.00 0.00 37.83 34.10 2dnc s LYS 30 CO 0.03 -0.07 1.32 -1.21 -0.76 0.00 0.00 175.35 174.66 2dnc s GLU 31 N -3.88 4.33 0.00 1.68 2.02 -1.26 -2.42 118.70 119.16 2dnc s GLU 31 Ca 0.40 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.26 2dnc s GLU 31 Cb 0.03 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2dnc s GLU 31 CO 0.22 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.43 2dnc n GLY 32 N 3.49 3.30 3.58 -1.39 0.00 0.94 -5.02 105.19 110.09 2dnc n GLY 32 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.74 -0.24 0.48 1.61 2.02 -1.02 -4.54 118.70 116.27 2dnc s GLU 33 Ca 0.00 0.78 -0.01 0.00 0.02 0.00 0.00 54.97 55.75 2dnc s GLU 33 Cb 0.00 -1.64 -0.00 0.00 0.10 0.00 0.00 34.13 32.59 2dnc s GLU 33 CO 0.00 -3.25 0.72 0.00 0.02 0.00 0.00 175.26 172.75 2dnc s ALA 34 N -2.67 3.64 -0.03 5.21 0.00 -1.26 -0.59 121.76 126.06 2dnc s ALA 34 Ca 0.67 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 2dnc s ALA 34 Cb -0.22 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.65 2dnc s ALA 34 CO 0.61 -0.45 0.08 0.08 0.00 0.00 0.00 175.76 176.08 2dnc s VAL 35 N -2.65 -0.01 -0.07 0.00 1.01 0.39 -4.77 120.40 114.30 2dnc s VAL 35 Ca 0.49 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2dnc s VAL 35 Cb -0.10 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2dnc s VAL 35 CO 0.40 0.02 -0.07 -0.44 0.00 0.00 0.00 175.10 175.01 2dnc s SER 36 N 0.30 1.51 0.12 3.32 0.01 -1.26 -0.50 113.70 117.19 2dnc s SER 36 Ca -0.02 -0.21 -0.35 0.00 1.31 0.00 0.00 55.95 56.68 2dnc s SER 36 Cb -0.03 -0.64 -0.17 0.00 0.21 0.00 0.00 66.02 65.38 2dnc s SER 36 CO -0.01 -0.05 1.07 0.00 0.41 0.00 0.00 173.24 174.66 2dnc n ALA 37 N 4.25 -1.88 -0.92 1.44 0.00 -1.13 -1.28 120.51 120.99 2dnc n ALA 37 Ca -0.20 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2dnc n ALA 37 Cb 0.51 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 1.94 0.67 3.30 0.00 0.00 0.30 -4.89 105.19 106.51 2dnc n GLY 38 Ca 0.17 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.70 3.06 -0.10 1.61 1.11 -0.40 -4.83 116.67 114.43 2dnc s ASP 39 Ca 0.00 -0.47 -0.29 0.00 0.18 0.00 0.00 52.55 51.96 2dnc s ASP 39 Cb 0.00 -0.42 -0.05 0.00 1.07 0.00 0.00 42.92 43.52 2dnc s ASP 39 CO 0.00 0.31 1.73 0.00 1.18 0.00 0.00 175.17 178.38 2dnc s ALA 40 N -0.54 3.44 -0.19 5.23 0.00 -1.26 -0.47 121.76 127.96 2dnc s ALA 40 Ca 0.08 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 52.71 2dnc s ALA 40 Cb -0.11 -3.81 -0.12 0.00 0.00 0.00 0.00 23.12 19.07 2dnc s ALA 40 CO -0.00 -1.69 -0.01 1.28 0.00 0.00 0.00 175.76 175.34 2dnc n LEU 41 N 7.92 1.86 -3.98 0.00 4.77 0.34 -4.66 117.00 123.25 2dnc n LEU 41 Ca 0.19 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.53 2dnc n LEU 41 Cb 0.43 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2dnc n LEU 41 CO 0.64 0.04 0.27 0.00 -1.33 0.00 0.00 177.39 177.01 2dnc s GLU 43 N -3.15 3.47 -0.12 0.00 2.02 -0.99 0.98 118.70 120.93 2dnc s GLU 43 Ca 0.23 -0.62 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 2dnc s GLU 43 Cb -0.02 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 2dnc s GLU 43 CO 0.14 -0.34 0.39 0.42 0.02 0.00 0.00 175.26 175.90 2dnc s ILE 44 N 1.63 5.21 -0.04 -1.63 -1.09 0.17 -0.14 121.20 125.31 2dnc s ILE 44 Ca 0.05 0.78 -0.24 0.00 -2.23 0.00 0.00 60.65 59.01 2dnc s ILE 44 Cb -0.16 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2dnc s ILE 44 CO 0.06 0.39 0.73 -0.70 -1.23 0.00 0.00 174.94 174.19 2dnc s GLU 45 N 0.30 4.45 0.00 2.79 2.12 0.15 -2.51 118.70 126.00 2dnc s GLU 45 Ca 0.22 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.48 2dnc s GLU 45 Cb -0.14 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 2dnc s GLU 45 CO 0.08 0.10 0.02 0.95 -0.54 0.00 0.00 175.26 175.87 2dnc s THR 46 N 0.66 0.05 0.34 -1.70 -4.23 -1.04 -3.28 115.64 106.43 2dnc s THR 46 Ca 0.38 -0.41 0.09 0.00 -1.18 0.00 0.00 61.69 60.58 2dnc s THR 46 Cb -0.18 -0.17 0.33 0.00 1.34 0.00 0.00 72.50 73.81 2dnc s THR 46 CO 0.19 -0.23 1.80 0.44 -0.54 0.00 0.00 174.62 176.29 2dnc h ASP 47 N 5.36 0.68 0.33 3.99 5.19 -1.97 -1.61 116.42 128.40 2dnc h ASP 47 Ca -0.28 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 2dnc h ASP 47 Cb 1.21 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 2dnc h ASP 47 CO 0.45 0.25 -0.36 0.50 -3.12 0.00 0.00 179.24 176.96 2dnc h LYS 48 N 0.67 -0.67 0.00 3.56 3.11 -1.99 -3.48 116.57 117.76 2dnc h LYS 48 Ca 0.55 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.43 2dnc h LYS 48 Cb 0.98 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2dnc h LYS 48 CO -0.32 -0.45 0.00 0.00 -2.81 0.00 0.00 179.45 175.88 2dnc n ALA 49 N -2.66 0.00 -2.85 5.00 0.00 -0.61 -5.10 120.51 114.30 2dnc n ALA 49 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 2dnc n ALA 49 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 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 0.34 0.00 0.11 -1.26 -2.51 120.40 119.47 2dnc s VAL 50 Ca 0.00 -0.59 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2dnc s VAL 50 Cb 0.00 -4.36 -0.03 0.00 -1.53 0.00 0.00 36.38 30.47 2dnc s VAL 50 CO 0.00 -0.90 0.30 0.68 -3.33 0.00 0.00 175.10 171.85 2dnc s VAL 51 N 2.69 3.47 0.06 2.04 -7.23 -1.04 -5.01 120.40 115.38 2dnc s VAL 51 Ca 0.15 -1.37 0.09 0.00 -1.81 0.00 0.00 61.98 59.04 2dnc s VAL 51 Cb -0.20 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 2dnc s VAL 51 CO 0.11 -0.16 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.62 2dnc s THR 52 N -2.32 2.47 -0.29 5.32 2.01 -1.26 -0.66 115.64 120.91 2dnc s THR 52 Ca 0.41 -1.36 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 2dnc s THR 52 Cb -0.06 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2dnc s THR 52 CO 0.27 0.30 0.65 -0.22 -0.69 0.00 0.00 174.62 174.93 2dnc s LEU 53 N -1.48 4.12 0.19 4.42 0.20 0.28 -4.81 118.68 121.60 2dnc s LEU 53 Ca 0.14 0.51 -0.04 0.00 0.69 0.00 0.00 54.13 55.43 2dnc s LEU 53 Cb -0.10 -2.85 -0.05 0.00 -0.43 0.00 0.00 46.19 42.75 2dnc s LEU 53 CO 0.04 -0.47 0.42 -1.81 -0.29 0.00 0.00 176.35 174.24 2dnc s ASP 54 N 1.60 6.46 0.29 3.68 1.11 -1.26 0.13 116.67 128.67 2dnc s ASP 54 Ca 0.26 0.57 -0.28 0.00 0.18 0.00 0.00 52.55 53.28 2dnc s ASP 54 Cb -0.15 -2.08 -0.09 0.00 1.07 0.00 0.00 42.92 41.67 2dnc s ASP 54 CO 0.11 -0.03 0.97 0.00 1.18 0.00 0.00 175.17 177.40 2dnc s ALA 55 N -1.81 3.28 -1.26 5.23 0.00 0.38 -4.83 121.76 122.76 2dnc s ALA 55 Ca 0.41 0.63 0.18 0.00 0.00 0.00 0.00 51.96 53.18 2dnc s ALA 55 Cb -0.11 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 2dnc s ALA 55 CO 0.27 0.12 0.86 0.43 0.00 0.00 0.00 175.76 177.43 2dnc n SER 56 N 1.01 1.30 -3.80 0.00 7.64 -1.26 0.11 113.62 118.61 2dnc n SER 56 Ca -0.00 -1.15 -0.10 0.00 1.01 0.00 0.00 58.87 58.64 2dnc n SER 56 Cb 0.48 0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 64.38 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 -2.45 -0.11 -0.17 6.43 1.01 -1.26 -4.80 116.67 115.32 2dnc s ASP 57 Ca 0.11 -0.60 -0.07 0.00 0.71 0.00 0.00 52.55 52.70 2dnc s ASP 57 Cb 0.14 0.48 -0.04 0.00 1.01 0.00 0.00 42.92 44.52 2dnc s ASP 57 CO 0.62 -0.93 0.08 1.51 0.21 0.00 0.00 175.17 176.67 2dnc s ASP 58 N -2.89 5.82 0.00 0.27 -4.77 -1.26 -2.84 116.67 111.00 2dnc s ASP 58 Ca 0.10 0.18 0.00 0.00 -3.30 0.00 0.00 52.55 49.53 2dnc s ASP 58 Cb 0.02 -1.96 0.00 0.00 -1.09 0.00 0.00 42.92 39.89 2dnc s ASP 58 CO -0.05 0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.66 2dnc n GLY 59 N 3.16 0.87 3.51 2.12 0.00 0.34 -4.69 105.19 110.50 2dnc n GLY 59 Ca -0.17 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.24 3.63 -0.92 -0.61 -1.09 -0.18 0.15 121.20 119.94 2dnc s ILE 60 Ca 0.00 -0.48 -0.25 0.00 -2.23 0.00 0.00 60.65 57.69 2dnc s ILE 60 Cb 0.00 -2.53 -0.09 0.00 -1.58 0.00 0.00 42.46 38.26 2dnc s ILE 60 CO 0.00 0.54 2.10 -0.22 -1.23 0.00 0.00 174.94 176.13 2dnc s LEU 61 N -0.14 2.99 0.01 2.97 0.20 0.25 -1.59 118.68 123.37 2dnc s LEU 61 Ca 0.01 -0.60 -0.04 0.00 0.69 0.00 0.00 54.13 54.20 2dnc s LEU 61 Cb -0.13 -2.56 -0.02 0.00 -0.43 0.00 0.00 46.19 43.05 2dnc s LEU 61 CO 0.03 -3.30 1.06 0.00 -0.29 0.00 0.00 176.35 173.85 2dnc h ALA 62 N 11.55 -0.88 -3.25 5.97 0.00 -1.53 0.27 119.26 131.39 2dnc h ALA 62 Ca 0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2dnc h ALA 62 Cb 0.99 0.21 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 2dnc h ALA 62 CO 1.13 -0.88 -0.59 0.21 0.00 0.00 0.00 179.25 179.13 2dnc s LYS 63 N -3.28 0.23 -0.95 0.00 2.36 -1.22 -4.43 119.74 112.45 2dnc s LYS 63 Ca -0.02 -0.09 -0.15 0.00 -2.55 0.00 0.00 55.97 53.17 2dnc s LYS 63 Cb 0.00 0.10 0.20 0.00 -1.05 0.00 0.00 37.83 37.08 2dnc s LYS 63 CO 0.06 -0.04 1.01 0.42 1.55 0.00 0.00 175.35 178.34 2dnc s ILE 64 N -0.48 5.35 0.16 5.43 1.01 -1.26 -1.37 121.20 130.03 2dnc s ILE 64 Ca -0.06 -2.38 -0.30 0.00 0.00 0.00 0.00 60.65 57.91 2dnc s ILE 64 Cb -0.04 -4.63 -0.05 0.00 0.01 0.00 0.00 42.46 37.75 2dnc s ILE 64 CO 0.00 -1.26 1.55 0.58 0.00 0.00 0.00 174.94 175.81 2dnc h VAL 65 N 4.90 0.01 -3.58 2.92 2.07 -1.16 -3.34 116.25 118.08 2dnc h VAL 65 Ca 0.16 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 67.02 2dnc h VAL 65 Cb 0.99 0.01 -0.25 0.00 -1.52 0.00 0.00 31.29 30.52 2dnc h VAL 65 CO 0.95 0.00 -0.64 -0.69 0.02 0.00 0.00 177.57 177.21 2dnc s VAL 66 N -5.62 4.02 0.43 2.57 1.01 0.15 -4.97 120.40 117.99 2dnc s VAL 66 Ca -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2dnc s VAL 66 Cb 0.11 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.66 2dnc s VAL 66 CO 0.63 0.28 0.59 -0.62 0.00 0.00 0.00 175.10 175.98 2dnc n GLU 67 N 4.88 -0.17 -1.93 2.72 -0.58 -1.25 -4.79 120.64 119.52 2dnc n GLU 67 Ca -0.16 -1.25 -0.30 0.00 -0.42 0.00 0.00 57.16 55.03 2dnc n GLU 67 Cb 0.50 -0.51 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 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 -4.11 2.98 0.00 3.49 -1.05 -1.26 -3.89 118.70 114.86 2dnc s GLU 68 Ca 0.36 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 2dnc s GLU 68 Cb -0.02 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.62 2dnc s GLU 68 CO 0.25 -0.93 0.00 0.41 0.95 0.00 0.00 175.26 175.94 2dnc n GLY 69 N -2.93 3.10 3.46 -3.83 0.00 -0.72 -5.02 105.19 99.25 2dnc n GLY 69 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.17 0.15 0.16 1.61 0.15 -1.25 -4.99 113.70 108.35 2dnc s SER 70 Ca 0.00 0.86 -0.23 0.00 0.70 0.00 0.00 55.95 57.29 2dnc s SER 70 Cb 0.00 -1.25 0.07 0.00 -1.71 0.00 0.00 66.02 63.12 2dnc s SER 70 CO 0.00 -4.63 0.60 -1.59 1.20 0.00 0.00 173.24 168.82 2dnc s LYS 71 N -5.12 1.29 -0.71 5.44 0.00 -1.26 -4.11 119.74 115.27 2dnc s LYS 71 Ca 0.69 -0.50 -0.01 0.00 0.00 0.00 0.00 55.97 56.15 2dnc s LYS 71 Cb -0.14 0.59 -0.01 0.00 0.00 0.00 0.00 37.83 38.27 2dnc s LYS 71 CO 0.58 -0.56 0.65 0.09 0.00 0.00 0.00 175.35 176.11 2dnc n ASN 72 N -0.38 -6.86 -4.11 0.03 5.03 -1.19 -4.97 115.26 102.82 2dnc n ASN 72 Ca -0.16 -0.18 -0.36 0.00 0.87 0.00 0.00 54.58 54.74 2dnc n ASN 72 Cb 0.65 -4.75 -0.08 0.00 -1.02 0.00 0.00 39.78 34.58 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 -3.08 4.12 1.15 2.41 -1.09 0.31 -4.89 121.20 120.13 2dnc s ILE 73 Ca 0.09 -3.47 -0.17 0.00 -2.23 0.00 0.00 60.65 54.87 2dnc s ILE 73 Cb -0.01 -3.60 0.21 0.00 -1.58 0.00 0.00 42.46 37.48 2dnc s ILE 73 CO 0.65 -1.00 0.42 -2.11 -1.23 0.00 0.00 174.94 171.67 2dnc n ARG 74 N 2.83 -2.75 -2.80 2.79 1.85 -1.26 -0.56 116.66 116.77 2dnc n ARG 74 Ca 0.16 -0.81 -0.31 0.00 -1.00 0.00 0.00 57.85 55.88 2dnc n ARG 74 Cb 0.38 -1.65 -0.04 0.00 -1.05 0.00 0.00 32.46 30.09 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 -2.34 3.84 -0.48 2.89 1.43 -1.20 -4.00 118.68 118.81 2dnc s LEU 75 Ca 0.49 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 2dnc s LEU 75 Cb -0.10 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2dnc s LEU 75 CO 0.47 -0.40 0.07 0.61 0.23 0.00 0.00 176.35 177.33 2dnc n GLY 76 N -1.11 0.21 3.38 -3.19 0.00 -1.22 -4.93 105.19 98.34 2dnc n GLY 76 Ca 0.04 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.81 3.80 -0.17 1.61 0.01 -1.26 -4.87 113.70 110.01 2dnc s SER 77 Ca 0.03 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2dnc s SER 77 Cb -0.02 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.98 2dnc s SER 77 CO 0.04 0.24 1.37 -0.76 0.41 0.00 0.00 173.24 174.54 2dnc s LEU 78 N -0.09 4.14 -0.12 2.44 1.43 -1.26 -1.61 118.68 123.61 2dnc s LEU 78 Ca -0.03 1.72 0.12 0.00 -1.03 0.00 0.00 54.13 54.91 2dnc s LEU 78 Cb -0.14 -3.54 -0.17 0.00 0.03 0.00 0.00 46.19 42.38 2dnc s LEU 78 CO 0.04 -0.88 0.06 2.30 0.23 0.00 0.00 176.35 178.10 2dnc n ILE 79 N 5.60 0.86 -3.50 -0.59 -5.35 0.13 -4.13 119.36 112.39 2dnc n ILE 79 Ca 0.15 -0.55 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 2dnc n ILE 79 Cb 0.45 -0.59 -0.04 0.00 -1.74 0.00 0.00 39.64 37.71 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 -4.58 -0.54 -0.11 3.28 0.00 -1.24 0.31 107.32 104.44 2dnc s GLY 80 Ca -0.06 1.16 0.02 0.00 0.00 0.00 0.00 44.72 45.84 2dnc s GLY 80 CO 0.55 0.69 -0.20 -2.27 0.00 0.00 0.00 173.10 171.87 2dnc s LEU 81 N -1.74 2.34 -0.05 0.66 1.98 -0.47 0.48 118.68 121.87 2dnc s LEU 81 Ca -0.05 -0.47 -0.03 0.00 -2.89 0.00 0.00 54.13 50.69 2dnc s LEU 81 Cb -0.00 -1.49 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 2dnc s LEU 81 CO 0.01 0.16 0.09 -0.63 -1.89 0.00 0.00 176.35 174.08 2dnc s ILE 82 N 0.38 4.90 -0.00 6.68 1.01 0.29 -1.35 121.20 133.09 2dnc s ILE 82 Ca -0.15 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.38 2dnc s ILE 82 Cb -0.17 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2dnc s ILE 82 CO 0.07 0.48 -0.21 0.68 0.00 0.00 0.00 174.94 175.96 2dnc s VAL 83 N -1.09 1.70 -0.24 2.92 -7.23 -0.62 0.33 120.40 116.17 2dnc s VAL 83 Ca 0.19 -0.98 -0.40 0.00 -1.81 0.00 0.00 61.98 58.98 2dnc s VAL 83 Cb -0.12 -1.42 -0.16 0.00 0.56 0.00 0.00 36.38 35.24 2dnc s VAL 83 CO 0.09 0.42 1.70 -0.62 -0.31 0.00 0.00 175.10 176.39 2dnc n GLU 84 N 2.40 1.15 -1.41 4.82 -0.58 -1.26 -1.01 120.64 124.76 2dnc n GLU 84 Ca -0.16 0.42 -0.56 0.00 -0.42 0.00 0.00 57.16 56.45 2dnc n GLU 84 Cb 0.53 -2.10 -0.08 0.00 -0.57 0.00 0.00 31.44 29.22 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 5.09 0.00 0.00 3.49 1.02 -1.26 -1.06 120.64 127.92 2dnc n GLU 85 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2dnc n GLU 85 Cb 0.14 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.53 2.85 3.66 0.62 0.00 -1.26 -5.03 105.19 107.57 2dnc n GLY 86 Ca 0.19 -0.73 -0.65 0.00 0.00 0.00 0.00 46.02 44.84 2dnc n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dnc n GLU 87 N 0.00 0.21 -1.52 1.61 2.13 -0.22 -4.59 120.64 118.26 2dnc n GLU 87 Ca 0.00 0.07 -0.38 0.00 0.66 0.00 0.00 57.16 57.51 2dnc n GLU 87 Cb 0.00 -1.62 -0.11 0.00 0.27 0.00 0.00 31.44 29.98 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dnc n ASP 88 N 4.94 0.93 0.04 4.31 9.92 -1.26 -4.75 116.55 130.68 2dnc n ASP 88 Ca 0.34 -0.11 -0.12 0.00 -0.53 0.00 0.00 54.79 54.38 2dnc n ASP 88 Cb -0.02 -1.14 -0.08 0.00 -0.64 0.00 0.00 41.12 39.23 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2dnc h TRP 89 N 14.52 -0.17 -3.06 1.24 5.08 -1.95 -3.38 115.95 128.24 2dnc h TRP 89 Ca -0.11 -0.00 -0.73 0.00 1.08 0.00 0.00 58.89 59.13 2dnc h TRP 89 Cb 1.28 0.06 -0.21 0.00 -3.00 0.00 0.00 29.16 27.29 2dnc h TRP 89 CO 1.06 0.30 0.34 0.21 -1.28 0.00 0.00 178.44 179.07 2dnc s LYS 90 N -3.66 3.42 0.00 0.12 2.20 -1.26 -4.96 119.74 115.59 2dnc s LYS 90 Ca -0.14 -1.86 0.00 0.00 -0.36 0.00 0.00 55.97 53.61 2dnc s LYS 90 Cb 0.01 -4.54 0.00 0.00 -1.51 0.00 0.00 37.83 31.79 2dnc s LYS 90 CO 0.53 -1.53 0.31 0.72 -0.36 0.00 0.00 175.35 175.02 2dnc n HIS 91 N 5.59 0.00 -3.39 4.03 8.25 -1.26 -4.56 115.22 123.88 2dnc n HIS 91 Ca 0.09 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 2dnc n HIS 91 Cb 0.46 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 2dnc n HIS 91 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dnc s VAL 92 N -0.61 5.00 0.29 1.59 -7.23 -1.26 -4.98 120.40 113.21 2dnc s VAL 92 Ca 0.00 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 2dnc s VAL 92 Cb 0.00 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2dnc s VAL 92 CO 0.00 -0.21 0.00 -0.24 -0.31 0.00 0.00 175.10 174.34 2dnc n SER 93 N -0.58 -1.05 -3.83 4.85 2.88 -1.26 -5.16 113.62 109.47 2dnc n SER 93 Ca -0.01 0.52 -0.10 0.00 -1.33 0.00 0.00 58.87 57.96 2dnc n SER 93 Cb 0.53 1.15 -0.05 0.00 -0.75 0.00 0.00 64.21 65.09 2dnc n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnc s GLY 94 N -4.11 0.14 0.03 0.46 0.00 -1.26 -5.06 107.32 97.52 2dnc s GLY 94 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 2dnc s GLY 94 CO 0.00 -0.55 1.17 -0.56 0.00 0.00 0.00 173.10 173.15 2dnc h PRO 95 N 2.41 0.52 -6.82 2.90 0.13 -2.04 -3.46 132.00 125.63 2dnc h PRO 95 Ca -0.31 -0.51 -0.45 0.00 -0.87 0.00 0.00 66.00 63.86 2dnc h PRO 95 Cb 1.24 0.13 0.23 0.00 0.13 0.00 0.00 31.00 32.73 2dnc h PRO 95 CO 0.45 1.14 -0.73 -1.13 -0.23 0.00 0.00 178.00 177.50 2dnc n SER 96 N -4.14 -2.19 -4.39 1.44 3.41 -1.26 -4.89 113.62 101.60 2dnc n SER 96 Ca -0.10 -0.14 -0.45 0.00 -0.26 0.00 0.00 58.87 57.92 2dnc n SER 96 Cb 0.69 -1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 2dnc n SER 96 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dnc s SER 97 N -2.02 6.71 0.00 4.04 1.04 -1.26 -5.11 113.70 117.10 2dnc s SER 97 Ca 0.60 -2.38 0.21 0.00 0.48 0.00 0.00 55.95 54.85 2dnc s SER 97 Cb -0.16 -2.31 1.24 0.00 0.10 0.00 0.00 66.02 64.88 2dnc s SER 97 CO 0.66 -0.82 1.62 0.61 0.98 0.00 0.00 173.24 176.29