#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 -3.25 -4.89 1.61 2.88 -1.26 -5.00 113.62 103.71 2dnc n SER 2 Ca 0.00 1.23 -0.35 0.00 -1.33 0.00 0.00 58.87 58.43 2dnc n SER 2 Cb 0.00 -4.43 -0.05 0.00 -0.75 0.00 0.00 64.21 58.98 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 -0.52 6.42 -0.09 -3.46 0.01 -1.26 -5.08 113.70 109.72 2dnc s SER 3 Ca -0.15 0.45 -0.32 0.00 1.31 0.00 0.00 55.95 57.23 2dnc s SER 3 Cb 0.01 -2.05 0.13 0.00 0.21 0.00 0.00 66.02 64.32 2dnc s SER 3 CO 0.41 0.29 1.24 -0.83 0.41 0.00 0.00 173.24 174.77 2dnc s GLY 4 N -1.67 -0.36 0.11 3.44 0.00 -1.26 -5.19 107.32 102.40 2dnc s GLY 4 Ca 0.25 1.08 -0.09 0.00 0.00 0.00 0.00 44.72 45.96 2dnc s GLY 4 CO 0.15 0.30 0.22 -0.56 0.00 0.00 0.00 173.10 173.21 2dnc s SER 5 N -2.62 0.08 0.00 1.64 0.01 -1.26 -5.17 113.70 106.38 2dnc s SER 5 Ca 0.12 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2dnc s SER 5 Cb 0.02 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2dnc s SER 5 CO -0.04 -0.77 0.00 -0.24 0.41 0.00 0.00 173.24 172.59 2dnc n SER 6 N -0.11 0.00 0.00 2.44 2.88 -1.26 -5.18 113.62 112.40 2dnc n SER 6 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2dnc n SER 6 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.14 0.78 3.45 0.46 0.00 -1.26 -4.88 105.19 103.60 2dnc n GLY 7 Ca 0.00 -2.04 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.49 4.95 -0.05 -0.61 1.01 0.77 -4.90 121.20 120.88 2dnc s ILE 8 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 2dnc s ILE 8 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2dnc s ILE 8 CO 0.00 -0.70 0.96 -1.59 0.00 0.00 0.00 174.94 173.61 2dnc s LYS 9 N 2.44 4.49 -0.39 2.79 -2.85 -1.26 0.13 119.74 125.09 2dnc s LYS 9 Ca 0.14 1.34 -0.22 0.00 -1.00 0.00 0.00 55.97 56.23 2dnc s LYS 9 Cb -0.19 -3.49 0.01 0.00 -2.06 0.00 0.00 37.83 32.10 2dnc s LYS 9 CO 0.12 -0.13 0.73 0.42 0.10 0.00 0.00 175.35 176.59 2dnc s ILE 10 N 1.35 4.76 -0.14 3.79 1.01 0.17 -4.94 121.20 127.20 2dnc s ILE 10 Ca 0.49 0.65 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 2dnc s ILE 10 Cb -0.20 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2dnc s ILE 10 CO 0.23 -0.48 0.06 -0.76 0.00 0.00 0.00 174.94 173.99 2dnc s LEU 11 N 3.02 3.85 -0.48 2.97 1.43 -1.26 -1.66 118.68 126.54 2dnc s LEU 11 Ca 0.28 0.17 -0.35 0.00 -1.03 0.00 0.00 54.13 53.20 2dnc s LEU 11 Cb -0.13 -1.94 -0.14 0.00 0.03 0.00 0.00 46.19 44.01 2dnc s LEU 11 CO 0.18 0.27 2.28 0.80 0.23 0.00 0.00 176.35 180.11 2dnc n MET 12 N 2.86 0.76 -1.84 1.70 0.00 -1.05 -4.81 117.12 114.74 2dnc n MET 12 Ca -0.18 0.17 -0.32 0.00 -0.00 0.00 0.00 57.70 57.38 2dnc n MET 12 Cb 0.53 -2.29 0.03 0.00 0.00 0.00 0.00 33.22 31.49 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 6.83 3.17 -1.28 2.12 0.04 -1.26 -3.65 135.00 140.97 2dnc s PRO 13 Ca 1.14 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 63.16 2dnc s PRO 13 Cb -0.93 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.48 2dnc s PRO 13 CO 0.49 -0.92 2.95 -1.13 0.04 0.00 0.00 177.00 178.43 2dnc n SER 14 N -2.54 7.70 -0.56 6.66 3.41 -1.26 -4.64 113.62 122.40 2dnc n SER 14 Ca 0.08 -2.52 0.45 0.00 -0.26 0.00 0.00 58.87 56.62 2dnc n SER 14 Cb 0.53 -1.47 0.75 0.00 -0.26 0.00 0.00 64.21 63.77 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 6.83 0.09 -8.83 1.04 3.38 -1.97 -3.38 115.31 112.48 2dnc h LEU 15 Ca 0.72 0.05 -0.60 0.00 0.09 0.00 0.00 57.88 58.14 2dnc h LEU 15 Cb 0.45 0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.05 2dnc h LEU 15 CO 1.50 -0.06 -0.82 -0.44 0.09 0.00 0.00 178.44 178.70 2dnc s SER 16 N -4.29 2.91 0.13 -0.43 0.01 -1.26 -5.11 113.70 105.65 2dnc s SER 16 Ca -0.06 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.12 2dnc s SER 16 Cb 0.27 -0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 2dnc s SER 16 CO 0.86 0.07 1.14 -2.16 0.41 0.00 0.00 173.24 173.56 2dnc s PRO 17 N -2.29 4.53 -1.41 12.44 0.04 -1.26 -2.86 135.00 144.19 2dnc s PRO 17 Ca 0.13 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2dnc s PRO 17 Cb -0.09 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2dnc s PRO 17 CO 0.06 -0.06 0.00 0.25 0.04 0.00 0.00 177.00 177.29 2dnc n THR 18 N 2.96 -0.39 -2.60 1.26 -2.24 -1.26 -4.95 114.28 107.05 2dnc n THR 18 Ca 0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 2dnc n THR 18 Cb 0.46 -1.95 -0.03 0.00 -2.10 0.00 0.00 70.33 66.71 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 -4.08 4.41 -0.06 -0.78 0.00 -1.13 -4.92 119.30 112.73 2dnc s MET 19 Ca 0.00 1.50 0.12 0.00 0.00 0.00 0.00 55.69 57.31 2dnc s MET 19 Cb 0.00 -3.54 -0.23 0.00 0.00 0.00 0.00 34.83 31.06 2dnc s MET 19 CO 0.00 -0.34 0.58 0.39 0.00 0.00 0.00 175.02 175.65 2dnc n GLU 20 N 4.97 0.65 -3.13 4.11 1.02 -1.26 -4.83 120.64 122.16 2dnc n GLU 20 Ca 0.09 0.27 -0.04 0.00 -0.02 0.00 0.00 57.16 57.46 2dnc n GLU 20 Cb 0.48 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 30.16 2dnc n GLU 20 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2dnc n GLU 21 N -3.05 0.65 -3.48 3.49 0.28 -1.26 -3.30 120.64 113.97 2dnc n GLU 21 Ca -0.20 -1.36 -0.10 0.00 -0.16 0.00 0.00 57.16 55.34 2dnc n GLU 21 Cb 1.06 1.75 -0.01 0.00 1.43 0.00 0.00 31.44 35.68 2dnc n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dnc n GLY 22 N -0.46 1.83 2.78 -1.84 0.00 0.88 -4.79 105.19 103.58 2dnc n GLY 22 Ca -0.04 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.79 2.50 -0.59 1.61 0.01 -1.20 0.17 114.94 114.66 2dnc s ASN 23 Ca 0.20 -0.57 -0.27 0.00 -0.71 0.00 0.00 52.86 51.51 2dnc s ASN 23 Cb -0.02 -0.61 -0.02 0.00 0.41 0.00 0.00 41.25 41.01 2dnc s ASN 23 CO 0.15 -0.25 1.82 -0.63 -1.51 0.00 0.00 177.10 176.68 2dnc s ILE 24 N 1.85 3.39 0.04 0.60 1.01 -1.25 0.08 121.20 126.92 2dnc s ILE 24 Ca 0.01 0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 2dnc s ILE 24 Cb -0.15 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.25 2dnc s ILE 24 CO -0.07 -0.89 1.32 0.58 0.00 0.00 0.00 174.94 175.87 2dnc h VAL 25 N 6.84 0.00 -3.25 2.92 2.07 0.18 -2.94 116.25 122.08 2dnc h VAL 25 Ca -0.27 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2dnc h VAL 25 Cb 1.16 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.80 2dnc h VAL 25 CO 1.20 0.00 0.04 -0.75 0.02 0.00 0.00 177.57 178.08 2dnc s LYS 26 N -4.66 1.16 -0.21 1.57 2.20 -1.23 -3.87 119.74 114.70 2dnc s LYS 26 Ca -0.11 -0.63 -0.14 0.00 -0.36 0.00 0.00 55.97 54.73 2dnc s LYS 26 Cb 0.01 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.81 2dnc s LYS 26 CO 0.34 -0.48 0.32 -1.58 -0.36 0.00 0.00 175.35 173.59 2dnc s TRP 27 N -3.79 3.36 -0.61 4.03 0.52 -1.26 -0.69 118.94 120.50 2dnc s TRP 27 Ca 0.02 0.49 0.25 0.00 0.02 0.00 0.00 56.10 56.88 2dnc s TRP 27 Cb 0.01 -2.44 0.57 0.00 -1.15 0.00 0.00 33.47 30.45 2dnc s TRP 27 CO -0.12 0.02 1.62 -0.07 0.02 0.00 0.00 176.95 178.42 2dnc h LEU 28 N 7.58 0.00 -8.88 2.99 3.38 0.16 -3.45 115.31 117.10 2dnc h LEU 28 Ca -0.37 -0.03 -0.60 0.00 0.09 0.00 0.00 57.88 56.98 2dnc h LEU 28 Cb 1.16 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.72 2dnc h LEU 28 CO 0.70 0.01 -0.82 -0.54 0.09 0.00 0.00 178.44 177.89 2dnc s LYS 29 N -3.16 1.34 0.33 1.13 1.02 -0.71 -4.99 119.74 114.71 2dnc s LYS 29 Ca 0.08 -1.39 0.07 0.00 0.02 0.00 0.00 55.97 54.76 2dnc s LYS 29 Cb 0.10 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2dnc s LYS 29 CO 0.65 0.35 0.30 0.15 -0.92 0.00 0.00 175.35 175.87 2dnc s LYS 30 N -2.47 2.75 -0.21 1.68 -0.14 -1.26 -5.02 119.74 115.08 2dnc s LYS 30 Ca 0.15 -1.27 -0.29 0.00 -1.36 0.00 0.00 55.97 53.20 2dnc s LYS 30 Cb -0.08 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.56 2dnc s LYS 30 CO 0.07 0.11 1.40 -1.21 -0.76 0.00 0.00 175.35 174.96 2dnc s GLU 31 N -3.99 4.02 0.00 1.68 2.02 -1.26 -2.33 118.70 118.84 2dnc s GLU 31 Ca 0.41 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.98 2dnc s GLU 31 Cb -0.06 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.28 2dnc s GLU 31 CO 0.27 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.96 2dnc n GLY 32 N 4.14 1.41 3.87 -1.39 0.00 0.22 -5.01 105.19 108.42 2dnc n GLY 32 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.29 3.79 0.73 1.61 0.41 -0.98 -4.73 118.70 119.25 2dnc s GLU 33 Ca 0.00 0.63 -0.11 0.00 -0.41 0.00 0.00 54.97 55.07 2dnc s GLU 33 Cb 0.00 -2.28 0.03 0.00 -1.78 0.00 0.00 34.13 30.10 2dnc s GLU 33 CO 0.00 -0.18 1.08 0.00 -0.49 0.00 0.00 175.26 175.68 2dnc s ALA 34 N -2.56 2.62 0.01 5.21 0.00 -1.26 -0.45 121.76 125.33 2dnc s ALA 34 Ca 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 2dnc s ALA 34 Cb -0.10 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2dnc s ALA 34 CO 0.35 -1.34 0.04 0.08 0.00 0.00 0.00 175.76 174.88 2dnc s VAL 35 N -3.20 0.09 0.17 0.00 1.01 0.50 -4.77 120.40 114.19 2dnc s VAL 35 Ca 0.59 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2dnc s VAL 35 Cb -0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2dnc s VAL 35 CO 0.54 -0.40 -0.13 -0.55 0.00 0.00 0.00 175.10 174.55 2dnc s SER 36 N -1.27 2.23 0.36 3.32 0.15 -1.26 -1.64 113.70 115.60 2dnc s SER 36 Ca -0.14 -0.98 -0.27 0.00 0.70 0.00 0.00 55.95 55.26 2dnc s SER 36 Cb -0.08 -0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.05 2dnc s SER 36 CO 0.00 -0.21 1.27 0.00 1.20 0.00 0.00 173.24 175.50 2dnc s ALA 37 N -2.91 3.37 -0.95 5.45 0.00 -1.26 -3.01 121.76 122.46 2dnc s ALA 37 Ca 0.18 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 2dnc s ALA 37 Cb -0.01 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2dnc s ALA 37 CO 0.04 -0.65 0.82 0.41 0.00 0.00 0.00 175.76 176.38 2dnc n GLY 38 N 0.76 -0.12 3.13 0.00 0.00 -0.11 -4.92 105.19 103.93 2dnc n GLY 38 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2dnc n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dnc s ASP 39 N -3.36 1.86 -0.06 1.61 1.11 -1.16 -4.87 116.67 111.79 2dnc s ASP 39 Ca 0.34 -0.29 -0.30 0.00 0.18 0.00 0.00 52.55 52.49 2dnc s ASP 39 Cb -0.15 -0.24 -0.05 0.00 1.07 0.00 0.00 42.92 43.55 2dnc s ASP 39 CO 0.52 0.19 1.57 0.00 1.18 0.00 0.00 175.17 178.62 2dnc s ALA 40 N -0.33 3.63 -0.22 5.23 0.00 -1.26 -1.22 121.76 127.59 2dnc s ALA 40 Ca 0.05 0.86 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 2dnc s ALA 40 Cb -0.07 -3.71 -0.12 0.00 0.00 0.00 0.00 23.12 19.23 2dnc s ALA 40 CO -0.00 -1.31 -0.17 1.28 0.00 0.00 0.00 175.76 175.56 2dnc n LEU 41 N 6.83 1.91 -4.02 0.00 4.77 0.41 -4.68 117.00 122.22 2dnc n LEU 41 Ca 0.16 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 2dnc n LEU 41 Cb 0.43 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 2dnc n LEU 41 CO 0.61 0.18 0.12 0.00 -1.33 0.00 0.00 177.39 176.98 2dnc s GLU 43 N -4.03 3.72 0.01 0.00 2.02 0.13 0.16 118.70 120.71 2dnc s GLU 43 Ca 0.24 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.81 2dnc s GLU 43 Cb 0.00 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 2dnc s GLU 43 CO 0.09 -0.03 -0.09 0.42 0.02 0.00 0.00 175.26 175.66 2dnc s ILE 44 N 1.18 3.47 0.13 -1.63 1.01 0.01 0.19 121.20 125.57 2dnc s ILE 44 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 2dnc s ILE 44 Cb -0.14 -2.49 -0.07 0.00 0.01 0.00 0.00 42.46 39.77 2dnc s ILE 44 CO 0.03 0.40 0.50 -1.61 0.00 0.00 0.00 174.94 174.26 2dnc s GLU 45 N -1.37 3.89 -0.02 2.79 2.02 0.11 -1.53 118.70 124.59 2dnc s GLU 45 Ca 0.16 0.37 -0.06 0.00 0.02 0.00 0.00 54.97 55.45 2dnc s GLU 45 Cb -0.11 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2dnc s GLU 45 CO 0.07 0.49 0.15 0.95 0.02 0.00 0.00 175.26 176.93 2dnc s THR 46 N -1.47 0.05 0.36 3.63 -4.23 -0.82 -3.25 115.64 109.91 2dnc s THR 46 Ca 0.37 -0.39 0.19 0.00 -1.18 0.00 0.00 61.69 60.68 2dnc s THR 46 Cb -0.14 -0.34 0.35 0.00 1.34 0.00 0.00 72.50 73.71 2dnc s THR 46 CO 0.19 -0.21 1.59 0.44 -0.54 0.00 0.00 174.62 176.08 2dnc h ASP 47 N 4.99 0.27 0.00 3.99 3.32 -1.98 -0.77 116.42 126.24 2dnc h ASP 47 Ca -0.28 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2dnc h ASP 47 Cb 1.20 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2dnc h ASP 47 CO 0.41 -0.41 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 2dnc n LYS 48 N -5.26 0.00 -0.33 3.56 4.01 -1.26 -5.02 118.16 113.86 2dnc n LYS 48 Ca 0.36 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 58.45 2dnc n LYS 48 Cb 1.22 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.47 2dnc n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dnc n ALA 49 N -1.34 0.00 -2.64 7.82 0.00 -0.29 -5.12 120.51 118.94 2dnc n ALA 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2dnc n ALA 49 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.87 4.74 0.38 0.00 0.11 -1.26 -1.94 120.40 119.57 2dnc s VAL 50 Ca 0.00 1.60 0.08 0.00 -2.93 0.00 0.00 61.98 60.73 2dnc s VAL 50 Cb 0.00 -4.21 -0.07 0.00 -1.53 0.00 0.00 36.38 30.58 2dnc s VAL 50 CO 0.00 -0.20 0.03 0.68 -3.33 0.00 0.00 175.10 172.28 2dnc s VAL 51 N 3.07 2.26 0.09 2.04 -7.23 -0.58 -5.01 120.40 115.04 2dnc s VAL 51 Ca 0.38 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2dnc s VAL 51 Cb -0.14 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 2dnc s VAL 51 CO 0.09 -0.08 -0.26 -0.89 -0.31 0.00 0.00 175.10 173.65 2dnc s THR 52 N -2.62 2.22 -0.23 5.32 2.01 -1.26 -0.81 115.64 120.27 2dnc s THR 52 Ca 0.36 -1.57 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 2dnc s THR 52 Cb 0.05 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2dnc s THR 52 CO 0.19 0.23 0.60 -0.22 -0.69 0.00 0.00 174.62 174.73 2dnc s LEU 53 N -1.65 4.10 0.12 4.42 0.20 0.41 -4.85 118.68 121.43 2dnc s LEU 53 Ca 0.13 0.72 0.02 0.00 0.69 0.00 0.00 54.13 55.69 2dnc s LEU 53 Cb -0.10 -2.82 -0.04 0.00 -0.43 0.00 0.00 46.19 42.80 2dnc s LEU 53 CO 0.04 -0.31 0.23 1.51 -0.29 0.00 0.00 176.35 177.54 2dnc s ASP 54 N 1.36 6.21 0.33 3.68 1.47 -1.26 0.15 116.67 128.61 2dnc s ASP 54 Ca 0.26 0.16 -0.12 0.00 1.18 0.00 0.00 52.55 54.02 2dnc s ASP 54 Cb -0.16 -1.85 -0.08 0.00 -0.34 0.00 0.00 42.92 40.50 2dnc s ASP 54 CO 0.09 0.09 0.70 0.00 0.68 0.00 0.00 175.17 176.74 2dnc s ALA 55 N -1.66 3.39 -0.08 2.11 0.00 -0.36 -4.87 121.76 120.29 2dnc s ALA 55 Ca 0.34 -0.11 0.16 0.00 0.00 0.00 0.00 51.96 52.35 2dnc s ALA 55 Cb -0.12 -2.67 -0.24 0.00 0.00 0.00 0.00 23.12 20.10 2dnc s ALA 55 CO 0.27 0.27 0.24 0.45 0.00 0.00 0.00 175.76 176.99 2dnc n SER 56 N -0.59 1.09 -4.16 0.00 2.88 -1.26 -0.94 113.62 110.64 2dnc n SER 56 Ca 0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2dnc n SER 56 Cb 0.53 1.40 -0.10 0.00 -0.75 0.00 0.00 64.21 65.30 2dnc n SER 56 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dnc s ASP 57 N -4.39 0.56 -0.19 -3.46 1.11 -1.26 -4.79 116.67 104.26 2dnc s ASP 57 Ca -0.07 -1.16 -0.15 0.00 0.18 0.00 0.00 52.55 51.35 2dnc s ASP 57 Cb 0.08 0.23 -0.04 0.00 1.07 0.00 0.00 42.92 44.26 2dnc s ASP 57 CO 0.68 -0.66 0.35 -1.81 1.18 0.00 0.00 175.17 174.91 2dnc s ASP 58 N -3.05 6.42 0.13 0.27 1.01 -1.26 -4.02 116.67 116.16 2dnc s ASP 58 Ca 0.21 0.49 -0.11 0.00 0.71 0.00 0.00 52.55 53.85 2dnc s ASP 58 Cb 0.07 -2.21 0.04 0.00 1.01 0.00 0.00 42.92 41.83 2dnc s ASP 58 CO -0.00 -0.01 0.55 0.61 0.21 0.00 0.00 175.17 176.53 2dnc n GLY 59 N 3.77 1.02 3.61 0.21 0.00 -0.65 -4.72 105.19 108.43 2dnc n GLY 59 Ca -0.10 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.33 4.41 -0.78 -0.61 -1.09 -0.33 0.19 121.20 120.66 2dnc s ILE 60 Ca 0.12 -0.18 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 2dnc s ILE 60 Cb -0.02 -2.93 -0.08 0.00 -1.58 0.00 0.00 42.46 37.85 2dnc s ILE 60 CO 0.04 0.52 2.14 -0.22 -1.23 0.00 0.00 174.94 176.19 2dnc s LEU 61 N -0.03 3.11 0.02 2.97 0.20 0.40 -1.23 118.68 124.12 2dnc s LEU 61 Ca 0.04 -0.09 -0.10 0.00 0.69 0.00 0.00 54.13 54.67 2dnc s LEU 61 Cb -0.13 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 43.04 2dnc s LEU 61 CO 0.02 -3.10 1.15 0.00 -0.29 0.00 0.00 176.35 174.13 2dnc h ALA 62 N 13.24 -0.98 -2.63 5.97 0.00 -0.80 0.63 119.26 134.69 2dnc h ALA 62 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2dnc h ALA 62 Cb 1.06 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 2dnc h ALA 62 CO 1.14 -0.97 -0.55 -1.59 0.00 0.00 0.00 179.25 177.27 2dnc s LYS 63 N -3.80 1.26 -0.65 0.00 -2.85 -1.11 -4.33 119.74 108.26 2dnc s LYS 63 Ca -0.05 -1.59 0.05 0.00 -1.00 0.00 0.00 55.97 53.38 2dnc s LYS 63 Cb 0.01 0.30 0.16 0.00 -2.06 0.00 0.00 37.83 36.24 2dnc s LYS 63 CO 0.16 -0.43 0.44 0.42 0.10 0.00 0.00 175.35 176.05 2dnc s ILE 64 N -4.13 2.64 0.17 3.79 1.01 -1.26 -1.71 121.20 121.71 2dnc s ILE 64 Ca 0.37 -3.99 -0.27 0.00 0.00 0.00 0.00 60.65 56.76 2dnc s ILE 64 Cb 0.06 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2dnc s ILE 64 CO 0.12 -0.99 1.50 0.52 0.00 0.00 0.00 174.94 176.09 2dnc n VAL 65 N 2.24 -0.63 -3.61 2.92 0.31 0.35 -3.76 118.33 116.15 2dnc n VAL 65 Ca 0.18 2.33 -0.39 0.00 -0.01 0.00 0.00 64.34 66.46 2dnc n VAL 65 Cb 0.35 -2.92 -0.11 0.00 -0.91 0.00 0.00 33.84 30.25 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 -5.57 4.97 0.66 2.52 1.01 0.78 -4.96 120.40 119.80 2dnc s VAL 66 Ca -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2dnc s VAL 66 Cb 0.13 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 33.11 2dnc s VAL 66 CO 0.62 0.12 0.93 -1.61 0.00 0.00 0.00 175.10 175.16 2dnc s GLU 67 N 1.69 2.13 0.53 2.72 0.41 -1.25 -4.82 118.70 120.10 2dnc s GLU 67 Ca 0.06 -0.68 -0.19 0.00 -0.41 0.00 0.00 54.97 53.74 2dnc s GLU 67 Cb -0.17 -2.32 -0.07 0.00 -1.78 0.00 0.00 34.13 29.80 2dnc s GLU 67 CO 0.09 -1.14 1.09 -1.83 -0.49 0.00 0.00 175.26 172.98 2dnc s GLU 68 N -5.06 3.52 0.00 1.61 4.04 -1.26 -3.58 118.70 117.97 2dnc s GLU 68 Ca 0.61 1.48 0.00 0.00 0.04 0.00 0.00 54.97 57.10 2dnc s GLU 68 Cb -0.09 -2.04 0.00 0.00 0.02 0.00 0.00 34.13 32.02 2dnc s GLU 68 CO 0.42 -0.69 0.00 0.41 -1.84 0.00 0.00 175.26 173.57 2dnc n GLY 69 N -0.10 1.45 3.88 -3.83 0.00 -1.11 -5.03 105.19 100.46 2dnc n GLY 69 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.70 3.65 0.17 1.61 0.01 -1.24 -5.03 113.70 111.18 2dnc s SER 70 Ca 0.00 0.59 -0.17 0.00 1.31 0.00 0.00 55.95 57.68 2dnc s SER 70 Cb 0.00 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.36 2dnc s SER 70 CO 0.00 -2.43 0.49 -1.59 0.41 0.00 0.00 173.24 170.12 2dnc s LYS 71 N -5.66 1.27 -0.89 12.44 0.00 -1.26 -3.85 119.74 121.80 2dnc s LYS 71 Ca 0.67 -0.79 -0.04 0.00 0.00 0.00 0.00 55.97 55.82 2dnc s LYS 71 Cb -0.09 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.21 2dnc s LYS 71 CO 0.51 -0.53 0.79 0.09 0.00 0.00 0.00 175.35 176.22 2dnc n ASN 72 N -0.31 -6.65 -4.28 0.03 4.13 -0.69 -4.96 115.26 102.54 2dnc n ASN 72 Ca -0.12 -0.48 -0.44 0.00 1.68 0.00 0.00 54.58 55.22 2dnc n ASN 72 Cb 0.63 -4.92 -0.05 0.00 -1.54 0.00 0.00 39.78 33.90 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 -3.25 4.99 1.24 2.41 -1.09 0.44 -4.79 121.20 121.15 2dnc s ILE 73 Ca 0.30 -1.91 -0.17 0.00 -2.23 0.00 0.00 60.65 56.64 2dnc s ILE 73 Cb -0.04 -4.18 0.30 0.00 -1.58 0.00 0.00 42.46 36.96 2dnc s ILE 73 CO 0.69 -0.89 1.01 -0.13 -1.23 0.00 0.00 174.94 174.39 2dnc s ARG 74 N 1.07 -1.54 0.42 2.79 0.52 -1.26 -0.08 118.95 120.88 2dnc s ARG 74 Ca 0.08 0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 55.53 2dnc s ARG 74 Cb -0.23 -1.52 -0.09 0.00 0.52 0.00 0.00 34.95 33.63 2dnc s ARG 74 CO -0.01 -4.02 0.87 -0.51 0.02 0.00 0.00 175.30 171.64 2dnc s LEU 75 N -7.31 3.86 0.00 2.53 1.43 -1.21 -3.60 118.68 114.38 2dnc s LEU 75 Ca 0.68 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2dnc s LEU 75 Cb -0.18 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.74 2dnc s LEU 75 CO 0.60 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.40 2dnc n GLY 76 N -0.99 2.65 3.68 -3.19 0.00 -1.24 -4.92 105.19 101.18 2dnc n GLY 76 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.13 6.94 0.10 1.61 0.01 -1.24 -4.72 113.70 114.28 2dnc s SER 77 Ca 0.00 1.94 -0.31 0.00 1.31 0.00 0.00 55.95 58.89 2dnc s SER 77 Cb 0.00 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 2dnc s SER 77 CO 0.00 -0.67 1.46 -0.76 0.41 0.00 0.00 173.24 173.68 2dnc s LEU 78 N 2.51 4.36 -0.10 2.44 1.43 -1.26 -2.53 118.68 125.52 2dnc s LEU 78 Ca 0.60 2.38 0.08 0.00 -1.03 0.00 0.00 54.13 56.16 2dnc s LEU 78 Cb -0.27 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.25 2dnc s LEU 78 CO 0.23 -0.73 0.02 2.30 0.23 0.00 0.00 176.35 178.40 2dnc n ILE 79 N 4.15 0.69 -3.51 -0.59 -5.35 -0.67 -3.93 119.36 110.16 2dnc n ILE 79 Ca 0.13 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 2dnc n ILE 79 Cb 0.41 -0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 37.51 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 -4.35 -0.50 -0.12 3.28 0.00 -1.25 0.13 107.32 104.51 2dnc s GLY 80 Ca -0.06 1.24 0.01 0.00 0.00 0.00 0.00 44.72 45.90 2dnc s GLY 80 CO 0.40 0.69 -0.16 -2.27 0.00 0.00 0.00 173.10 171.76 2dnc s LEU 81 N -1.74 2.56 0.07 0.66 1.98 -0.69 0.42 118.68 121.93 2dnc s LEU 81 Ca -0.04 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 50.82 2dnc s LEU 81 Cb -0.00 -1.56 -0.04 0.00 0.66 0.00 0.00 46.19 45.25 2dnc s LEU 81 CO -0.00 0.17 0.22 -0.63 -1.89 0.00 0.00 176.35 174.22 2dnc s ILE 82 N 0.32 5.38 -0.03 6.68 1.01 0.35 -0.07 121.20 134.84 2dnc s ILE 82 Ca -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2dnc s ILE 82 Cb -0.16 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2dnc s ILE 82 CO 0.06 0.12 0.00 0.68 0.00 0.00 0.00 174.94 175.80 2dnc s VAL 83 N -1.53 0.15 -0.26 2.92 -7.23 -0.37 -0.16 120.40 113.91 2dnc s VAL 83 Ca 0.35 0.09 -0.43 0.00 -1.81 0.00 0.00 61.98 60.18 2dnc s VAL 83 Cb -0.13 -0.25 -0.19 0.00 0.56 0.00 0.00 36.38 36.37 2dnc s VAL 83 CO 0.28 0.14 1.42 -0.62 -0.31 0.00 0.00 175.10 176.01 2dnc n GLU 84 N 4.10 0.22 -1.40 4.82 1.02 -1.26 -1.18 120.64 126.96 2dnc n GLU 84 Ca -0.27 0.08 -0.60 0.00 -0.02 0.00 0.00 57.16 56.36 2dnc n GLU 84 Cb 0.50 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 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 3.22 0.00 -1.46 3.49 1.02 -1.26 -1.54 120.64 124.11 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 0.03 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 5.27 0.63 2.68 0.62 0.00 -1.26 -5.03 105.19 108.11 2dnc n GLY 86 Ca 0.39 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.96 1.30 -3.22 1.61 -0.58 -0.59 -5.03 120.64 113.17 2dnc n GLU 87 Ca 0.00 -3.32 -0.15 0.00 -0.42 0.00 0.00 57.16 53.27 2dnc n GLU 87 Cb 0.40 -1.33 0.02 0.00 -0.57 0.00 0.00 31.44 29.96 2dnc n GLU 87 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dnc n ASP 88 N -0.16 -6.49 -0.10 1.62 -0.08 -1.26 -4.89 116.55 105.19 2dnc n ASP 88 Ca 0.09 0.34 -0.24 0.00 -1.51 0.00 0.00 54.79 53.48 2dnc n ASP 88 Cb 0.81 -2.43 -0.12 0.00 2.34 0.00 0.00 41.12 41.73 2dnc n ASP 88 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 2dnc n TRP 89 N 0.53 0.76 0.00 -0.67 4.27 -1.26 -4.52 117.44 116.55 2dnc n TRP 89 Ca -0.02 0.29 -0.01 0.00 -3.89 0.00 0.00 57.50 53.87 2dnc n TRP 89 Cb 0.50 -1.08 -0.01 0.00 -1.36 0.00 0.00 31.31 29.37 2dnc n TRP 89 CO 0.00 0.00 0.00 -0.22 -2.29 0.00 0.00 177.69 175.18 2dnc h LYS 90 N -0.80 -0.04 -4.11 -2.67 3.64 -1.92 -3.46 116.57 107.22 2dnc h LYS 90 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2dnc h LYS 90 Cb 1.51 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.30 2dnc h LYS 90 CO -0.22 -0.02 -0.71 1.58 -2.27 0.00 0.00 179.45 177.81 2dnc n HIS 91 N -2.66 -2.31 -4.01 1.91 -0.00 -1.26 -5.05 115.22 101.84 2dnc n HIS 91 Ca -0.00 1.20 -0.29 0.00 -0.00 0.00 0.00 57.72 58.63 2dnc n HIS 91 Cb 0.02 -2.84 -0.17 0.00 -0.00 0.00 0.00 29.99 27.01 2dnc n HIS 91 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2dnc s VAL 92 N -0.60 1.37 -0.30 3.57 1.01 -1.26 -4.90 120.40 119.29 2dnc s VAL 92 Ca -0.08 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 2dnc s VAL 92 Cb 0.01 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.11 2dnc s VAL 92 CO 0.43 0.42 0.39 -0.24 0.00 0.00 0.00 175.10 176.10 2dnc n SER 93 N 4.79 -6.40 -4.28 3.32 2.88 -1.26 -4.97 113.62 107.70 2dnc n SER 93 Ca -0.16 0.26 -0.28 0.00 -1.33 0.00 0.00 58.87 57.37 2dnc n SER 93 Cb 0.50 -2.48 0.17 0.00 -0.75 0.00 0.00 64.21 61.65 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 -1.49 1.78 0.70 0.46 0.00 -1.26 -5.07 107.32 102.45 2dnc s GLY 94 Ca 0.21 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 2dnc s GLY 94 CO 0.58 -0.72 1.06 2.56 0.00 0.00 0.00 173.10 176.58 2dnc s PRO 95 N -5.65 2.86 0.01 2.90 0.04 -1.26 -5.02 135.00 128.89 2dnc s PRO 95 Ca 0.72 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.43 2dnc s PRO 95 Cb -0.04 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2dnc s PRO 95 CO 0.50 -1.14 0.78 -1.12 0.04 0.00 0.00 177.00 176.06 2dnc s SER 96 N -3.81 7.18 -0.31 6.66 0.01 -1.26 -5.03 113.70 117.15 2dnc s SER 96 Ca 0.58 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 59.25 2dnc s SER 96 Cb -0.14 -2.47 0.13 0.00 0.21 0.00 0.00 66.02 63.75 2dnc s SER 96 CO 0.55 -0.06 0.23 -0.44 0.41 0.00 0.00 173.24 173.93 2dnc s SER 97 N 0.30 2.52 0.00 2.44 0.01 -1.26 -5.33 113.70 112.38 2dnc s SER 97 Ca 0.40 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2dnc s SER 97 Cb -0.20 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2dnc s SER 97 CO 0.23 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.11