#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 0.00 -4.41 1.61 2.88 -1.26 -4.74 113.62 107.70 2dnc n SER 2 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 2dnc n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2dnc n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnc s SER 3 N 0.00 6.61 -0.70 -3.46 0.15 -1.26 -4.97 113.70 110.07 2dnc s SER 3 Ca 0.00 -2.12 -0.15 0.00 0.70 0.00 0.00 55.95 54.38 2dnc s SER 3 Cb 0.00 -2.34 0.18 0.00 -1.71 0.00 0.00 66.02 62.15 2dnc s SER 3 CO 0.00 -0.96 0.65 -0.83 1.20 0.00 0.00 173.24 173.30 2dnc s GLY 4 N 3.26 2.42 -0.29 9.45 0.00 -1.26 -5.02 107.32 115.88 2dnc s GLY 4 Ca 0.27 -2.99 -0.03 0.00 0.00 0.00 0.00 44.72 41.97 2dnc s GLY 4 CO -0.07 1.23 0.01 -0.56 0.00 0.00 0.00 173.10 173.71 2dnc s SER 5 N 2.75 4.79 -0.30 1.64 0.01 -1.26 -5.03 113.70 116.30 2dnc s SER 5 Ca 0.12 -1.00 -0.19 0.00 1.31 0.00 0.00 55.95 56.19 2dnc s SER 5 Cb -0.19 -1.75 0.19 0.00 0.21 0.00 0.00 66.02 64.48 2dnc s SER 5 CO -0.04 -0.21 1.28 -0.94 0.41 0.00 0.00 173.24 173.74 2dnc s SER 6 N 1.35 -0.06 0.00 2.44 1.04 -1.26 -5.17 113.70 112.04 2dnc s SER 6 Ca -0.01 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2dnc s SER 6 Cb -0.18 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.00 2dnc s SER 6 CO -0.01 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2dnc n GLY 7 N 4.85 0.49 3.36 7.32 0.00 -1.26 -4.97 105.19 114.97 2dnc n GLY 7 Ca -0.07 -2.32 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.45 4.78 -0.08 -0.61 1.01 -0.71 -4.96 121.20 120.17 2dnc s ILE 8 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 2dnc s ILE 8 Cb 0.00 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2dnc s ILE 8 CO 0.00 -0.41 0.95 -1.59 0.00 0.00 0.00 174.94 173.88 2dnc s LYS 9 N 1.56 4.45 -0.54 2.79 -2.85 -1.26 -0.27 119.74 123.62 2dnc s LYS 9 Ca 0.03 1.30 -0.21 0.00 -1.00 0.00 0.00 55.97 56.09 2dnc s LYS 9 Cb -0.22 -3.51 0.05 0.00 -2.06 0.00 0.00 37.83 32.09 2dnc s LYS 9 CO 0.06 -0.21 0.78 0.42 0.10 0.00 0.00 175.35 176.50 2dnc s ILE 10 N 1.64 4.64 -0.04 3.79 1.01 0.17 -4.98 121.20 127.42 2dnc s ILE 10 Ca 0.47 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 2dnc s ILE 10 Cb -0.19 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 2dnc s ILE 10 CO 0.20 -0.99 0.21 -0.76 0.00 0.00 0.00 174.94 173.60 2dnc s LEU 11 N 3.27 4.38 -0.21 2.97 1.43 -1.26 -0.50 118.68 128.76 2dnc s LEU 11 Ca 0.22 0.49 -0.34 0.00 -1.03 0.00 0.00 54.13 53.46 2dnc s LEU 11 Cb -0.16 -2.44 -0.11 0.00 0.03 0.00 0.00 46.19 43.50 2dnc s LEU 11 CO 0.15 0.31 2.02 0.80 0.23 0.00 0.00 176.35 179.86 2dnc n MET 12 N 1.41 1.68 -1.54 1.70 0.00 -0.69 -4.84 117.12 114.84 2dnc n MET 12 Ca -0.14 0.56 -0.29 0.00 -0.00 0.00 0.00 57.70 57.82 2dnc n MET 12 Cb 0.53 -2.61 0.13 0.00 0.00 0.00 0.00 33.22 31.27 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 5.04 1.33 -1.07 2.12 0.04 -1.26 -3.28 135.00 137.92 2dnc s PRO 13 Ca 1.00 0.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 2dnc s PRO 13 Cb -0.74 -1.86 0.14 0.00 0.04 0.00 0.00 34.50 32.09 2dnc s PRO 13 CO 0.50 -2.08 2.38 -1.13 0.04 0.00 0.00 177.00 176.71 2dnc n SER 14 N -3.70 7.59 -0.32 6.66 3.41 -1.26 -4.78 113.62 121.22 2dnc n SER 14 Ca 0.07 -3.26 -0.10 0.00 -0.26 0.00 0.00 58.87 55.31 2dnc n SER 14 Cb 0.59 -1.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.15 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dnc h LEU 15 N 4.92 -1.87-10.02 1.04 3.38 -1.95 -3.39 115.31 107.42 2dnc h LEU 15 Ca 0.61 0.28 -0.50 0.00 0.09 0.00 0.00 57.88 58.36 2dnc h LEU 15 Cb 0.38 0.82 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2dnc h LEU 15 CO 1.30 -0.23 0.07 -0.44 0.09 0.00 0.00 178.44 179.23 2dnc s SER 16 N -5.13 6.75 0.50 -0.43 0.01 -1.26 -4.97 113.70 109.16 2dnc s SER 16 Ca -0.11 1.23 0.28 0.00 1.31 0.00 0.00 55.95 58.66 2dnc s SER 16 Cb 0.09 -2.35 0.87 0.00 0.21 0.00 0.00 66.02 64.84 2dnc s SER 16 CO 0.55 -0.20 1.80 1.55 0.41 0.00 0.00 173.24 177.35 2dnc h PRO 17 N 2.26 0.00 -1.10 12.44 0.13 -2.02 -3.27 132.00 140.43 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 1.17 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.90 2dnc h PRO 17 CO 0.66 0.00 -1.06 0.25 -0.23 0.00 0.00 178.00 177.62 2dnc n THR 18 N -3.10 1.40 -4.58 1.56 -2.24 -1.26 -5.07 114.28 100.99 2dnc n THR 18 Ca 0.02 -3.57 -0.33 0.00 -2.27 0.00 0.00 64.05 57.90 2dnc n THR 18 Cb 0.42 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 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 -3.27 3.38 -0.11 -0.78 0.00 -1.24 -4.99 119.30 112.29 2dnc s MET 19 Ca 0.33 -0.58 0.17 0.00 0.00 0.00 0.00 55.69 55.61 2dnc s MET 19 Cb 0.44 -2.75 -0.24 0.00 0.00 0.00 0.00 34.83 32.28 2dnc s MET 19 CO -0.02 0.32 0.36 0.39 0.00 0.00 0.00 175.02 176.06 2dnc n GLU 20 N 3.25 0.66 -3.85 4.11 1.02 -1.26 -4.94 120.64 119.63 2dnc n GLU 20 Ca -0.18 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.96 2dnc n GLU 20 Cb 0.53 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 2dnc n GLU 20 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2dnc s GLU 21 N -2.69 1.77 0.33 3.49 -1.05 -1.26 -3.20 118.70 116.09 2dnc s GLU 21 Ca -0.08 -0.99 0.04 0.00 -0.15 0.00 0.00 54.97 53.80 2dnc s GLU 21 Cb 0.08 0.61 -0.03 0.00 -0.44 0.00 0.00 34.13 34.34 2dnc s GLU 21 CO 0.84 -0.81 0.17 0.20 0.95 0.00 0.00 175.26 176.61 2dnc s GLY 22 N -2.92 2.22 -0.18 -3.83 0.00 -0.14 -4.75 107.32 97.72 2dnc s GLY 22 Ca 0.11 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 2dnc s GLY 22 CO 0.07 -1.61 0.04 -1.31 0.00 0.00 0.00 173.10 170.28 2dnc s ASN 23 N -3.42 2.75 -0.48 1.64 0.01 -1.22 0.12 114.94 114.34 2dnc s ASN 23 Ca 0.34 -0.74 -0.27 0.00 -0.71 0.00 0.00 52.86 51.48 2dnc s ASN 23 Cb 0.04 -0.54 -0.04 0.00 0.41 0.00 0.00 41.25 41.11 2dnc s ASN 23 CO 0.19 -0.30 2.12 -0.63 -1.51 0.00 0.00 177.10 176.96 2dnc s ILE 24 N 1.90 3.19 0.04 0.60 1.09 -1.05 -0.27 121.20 126.70 2dnc s ILE 24 Ca -0.00 0.14 -0.30 0.00 -1.10 0.00 0.00 60.65 59.39 2dnc s ILE 24 Cb -0.17 -3.42 -0.17 0.00 -1.06 0.00 0.00 42.46 37.65 2dnc s ILE 24 CO -0.08 -0.37 1.32 0.58 -0.10 0.00 0.00 174.94 176.29 2dnc h VAL 25 N 7.24 0.00 -2.33 2.92 2.07 0.21 -1.87 116.25 124.48 2dnc h VAL 25 Ca -0.28 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2dnc h VAL 25 Cb 1.21 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.78 2dnc h VAL 25 CO 1.14 0.00 0.02 -0.75 0.02 0.00 0.00 177.57 178.00 2dnc s LYS 26 N -5.18 0.86 -0.11 1.57 2.20 -1.24 -3.84 119.74 114.00 2dnc s LYS 26 Ca -0.16 0.31 -0.25 0.00 -0.36 0.00 0.00 55.97 55.51 2dnc s LYS 26 Cb 0.02 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 2dnc s LYS 26 CO 0.48 -0.23 0.81 -1.58 -0.36 0.00 0.00 175.35 174.47 2dnc s TRP 27 N -0.80 3.51 -1.51 4.03 0.52 -1.26 -1.53 118.94 121.89 2dnc s TRP 27 Ca -0.09 1.31 0.27 0.00 0.02 0.00 0.00 56.10 57.62 2dnc s TRP 27 Cb -0.02 -2.96 0.96 0.00 -1.15 0.00 0.00 33.47 30.30 2dnc s TRP 27 CO 0.06 -0.10 1.70 1.28 0.02 0.00 0.00 176.95 179.91 2dnc n LEU 28 N 4.56 0.60 -4.29 2.99 4.77 0.34 -4.85 117.00 121.13 2dnc n LEU 28 Ca 0.03 -0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 2dnc n LEU 28 Cb 0.50 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 2dnc n LEU 28 CO 0.48 0.12 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.68 2dnc s LYS 29 N -2.62 1.15 0.31 3.23 -0.14 -0.90 -4.94 119.74 115.83 2dnc s LYS 29 Ca 0.23 -1.42 0.09 0.00 -1.36 0.00 0.00 55.97 53.51 2dnc s LYS 29 Cb 0.19 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 35.36 2dnc s LYS 29 CO 0.53 0.16 0.08 0.15 -0.76 0.00 0.00 175.35 175.51 2dnc s LYS 30 N -3.27 2.34 -0.16 1.68 -0.14 -1.26 -5.05 119.74 113.87 2dnc s LYS 30 Ca 0.16 -1.51 -0.29 0.00 -1.36 0.00 0.00 55.97 52.97 2dnc s LYS 30 Cb -0.02 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.95 2dnc s LYS 30 CO 0.04 0.21 1.46 -1.21 -0.76 0.00 0.00 175.35 175.09 2dnc s GLU 31 N -3.78 4.08 0.00 1.68 2.02 -1.26 -2.11 118.70 119.34 2dnc s GLU 31 Ca 0.35 1.77 0.00 0.00 0.02 0.00 0.00 54.97 57.11 2dnc s GLU 31 Cb -0.04 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.29 2dnc s GLU 31 CO 0.21 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.98 2dnc n GLY 32 N 4.08 1.71 3.82 -1.39 0.00 0.15 -5.02 105.19 108.54 2dnc n GLY 32 Ca 0.16 0.00 -0.30 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 -0.49 2.35 0.58 1.61 2.02 -0.90 -4.64 118.70 119.23 2dnc s GLU 33 Ca 0.00 0.68 -0.06 0.00 0.02 0.00 0.00 54.97 55.61 2dnc s GLU 33 Cb 0.00 -1.94 -0.00 0.00 0.10 0.00 0.00 34.13 32.29 2dnc s GLU 33 CO 0.00 -1.45 0.89 0.00 0.02 0.00 0.00 175.26 174.72 2dnc s ALA 34 N -3.16 3.30 -0.03 5.21 0.00 -1.26 0.31 121.76 126.14 2dnc s ALA 34 Ca 0.60 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 2dnc s ALA 34 Cb -0.14 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.36 2dnc s ALA 34 CO 0.54 -0.73 0.07 0.08 0.00 0.00 0.00 175.76 175.72 2dnc s VAL 35 N -2.97 0.01 -0.07 0.00 1.01 0.49 -4.75 120.40 114.12 2dnc s VAL 35 Ca 0.53 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2dnc s VAL 35 Cb -0.11 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2dnc s VAL 35 CO 0.46 -0.03 -0.10 -0.44 0.00 0.00 0.00 175.10 174.98 2dnc s SER 36 N -0.06 1.78 0.12 3.32 0.01 -1.26 -1.02 113.70 116.59 2dnc s SER 36 Ca -0.01 -0.28 -0.34 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 36 Cb -0.01 -0.79 -0.18 0.00 0.21 0.00 0.00 66.02 65.25 2dnc s SER 36 CO 0.00 -0.01 0.96 0.00 0.41 0.00 0.00 173.24 174.60 2dnc n ALA 37 N 4.10 -2.36 -2.40 1.44 0.00 -1.19 -2.20 120.51 117.90 2dnc n ALA 37 Ca -0.21 0.51 -0.00 0.00 0.00 0.00 0.00 53.44 53.74 2dnc n ALA 37 Cb 0.51 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.84 0.80 3.01 0.00 0.00 0.13 -4.91 105.19 106.06 2dnc n GLY 38 Ca 0.18 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.01 0.86 -0.27 1.61 1.11 -0.93 -4.88 116.67 111.15 2dnc s ASP 39 Ca 0.01 -0.26 -0.29 0.00 0.18 0.00 0.00 52.55 52.20 2dnc s ASP 39 Cb -0.00 -0.05 -0.03 0.00 1.07 0.00 0.00 42.92 43.91 2dnc s ASP 39 CO 0.01 0.00 1.78 0.00 1.18 0.00 0.00 175.17 178.15 2dnc s ALA 40 N -0.52 3.01 -0.17 5.23 0.00 -1.26 -2.13 121.76 125.92 2dnc s ALA 40 Ca -0.01 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 2dnc s ALA 40 Cb -0.05 -3.96 -0.12 0.00 0.00 0.00 0.00 23.12 18.99 2dnc s ALA 40 CO 0.00 -2.39 0.12 -0.07 0.00 0.00 0.00 175.76 173.42 2dnc h LEU 41 N 13.04 0.00 -7.96 0.00 3.38 -1.07 -3.43 115.31 119.27 2dnc h LEU 41 Ca -0.35 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 2dnc h LEU 41 Cb 1.17 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 2dnc h LEU 41 CO 1.01 1.07 0.04 0.00 0.09 0.00 0.00 178.44 180.66 2dnc s GLU 43 N -3.94 3.83 -0.01 0.00 2.02 -0.58 0.64 118.70 120.66 2dnc s GLU 43 Ca 0.14 -0.42 0.06 0.00 0.02 0.00 0.00 54.97 54.77 2dnc s GLU 43 Cb -0.02 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2dnc s GLU 43 CO 0.04 0.20 -0.18 0.42 0.02 0.00 0.00 175.26 175.77 2dnc s ILE 44 N 0.53 2.78 0.14 -1.63 1.01 0.11 0.20 121.20 124.34 2dnc s ILE 44 Ca 0.01 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 2dnc s ILE 44 Cb -0.13 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.16 2dnc s ILE 44 CO 0.02 0.49 0.78 -1.61 0.00 0.00 0.00 174.94 174.62 2dnc s GLU 45 N -0.98 4.56 -0.01 2.79 2.02 0.63 -1.20 118.70 126.51 2dnc s GLU 45 Ca 0.12 1.15 -0.06 0.00 0.02 0.00 0.00 54.97 56.20 2dnc s GLU 45 Cb -0.10 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2dnc s GLU 45 CO 0.02 0.49 0.13 0.95 0.02 0.00 0.00 175.26 176.87 2dnc s THR 46 N -0.86 0.07 0.32 3.63 -4.23 -0.54 -3.38 115.64 110.65 2dnc s THR 46 Ca 0.37 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.39 2dnc s THR 46 Cb -0.23 -0.38 0.38 0.00 1.34 0.00 0.00 72.50 73.61 2dnc s THR 46 CO 0.26 -0.31 1.59 0.44 -0.54 0.00 0.00 174.62 176.06 2dnc h ASP 47 N 4.63 -0.17 0.17 3.99 5.19 -1.95 -0.08 116.42 128.21 2dnc h ASP 47 Ca -0.30 0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2dnc h ASP 47 Cb 1.20 0.38 0.00 0.00 0.18 0.00 0.00 39.33 41.09 2dnc h ASP 47 CO 0.41 -0.34 -0.08 0.50 -3.12 0.00 0.00 179.24 176.61 2dnc h LYS 48 N 0.05 -0.22 0.00 3.56 3.64 -1.99 -3.49 116.57 118.12 2dnc h LYS 48 Ca 0.66 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 2dnc h LYS 48 Cb 1.48 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2dnc h LYS 48 CO -0.83 -0.14 0.00 0.00 -2.27 0.00 0.00 179.45 176.21 2dnc n ALA 49 N -2.13 0.00 -2.76 5.00 0.00 -0.04 -5.09 120.51 115.49 2dnc n ALA 49 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 2dnc n ALA 49 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.60 4.22 0.59 0.00 0.11 -1.26 -1.47 120.40 119.99 2dnc s VAL 50 Ca 0.00 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2dnc s VAL 50 Cb 0.00 -4.81 0.03 0.00 -1.53 0.00 0.00 36.38 30.08 2dnc s VAL 50 CO 0.00 -1.62 0.85 -0.69 -3.33 0.00 0.00 175.10 170.30 2dnc s VAL 51 N 4.28 2.83 0.05 2.04 1.01 -0.34 -4.88 120.40 125.39 2dnc s VAL 51 Ca 0.30 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.92 2dnc s VAL 51 Cb -0.10 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2dnc s VAL 51 CO 0.04 -0.10 -0.23 -0.89 0.00 0.00 0.00 175.10 173.92 2dnc s THR 52 N -2.91 2.38 -0.44 3.92 2.01 -1.26 0.07 115.64 119.41 2dnc s THR 52 Ca 0.57 -1.33 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 2dnc s THR 52 Cb -0.10 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.47 2dnc s THR 52 CO 0.41 0.34 0.80 -0.22 -0.69 0.00 0.00 174.62 175.26 2dnc s LEU 53 N -1.35 4.21 0.30 4.42 0.20 0.21 -4.90 118.68 121.77 2dnc s LEU 53 Ca 0.13 -0.03 -0.14 0.00 0.69 0.00 0.00 54.13 54.78 2dnc s LEU 53 Cb -0.10 -2.99 -0.09 0.00 -0.43 0.00 0.00 46.19 42.58 2dnc s LEU 53 CO 0.03 -0.90 0.70 -1.81 -0.29 0.00 0.00 176.35 174.08 2dnc s ASP 54 N 2.11 6.76 0.18 3.68 1.01 -1.26 -0.39 116.67 128.76 2dnc s ASP 54 Ca 0.31 1.23 -0.27 0.00 0.71 0.00 0.00 52.55 54.53 2dnc s ASP 54 Cb -0.12 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 2dnc s ASP 54 CO 0.22 -0.17 0.82 0.00 0.21 0.00 0.00 175.17 176.25 2dnc s ALA 55 N -1.94 3.42 -0.12 5.23 0.00 -0.90 -4.87 121.76 122.58 2dnc s ALA 55 Ca 0.53 0.43 0.21 0.00 0.00 0.00 0.00 51.96 53.12 2dnc s ALA 55 Cb -0.11 -3.03 -0.21 0.00 0.00 0.00 0.00 23.12 19.78 2dnc s ALA 55 CO 0.18 0.26 0.63 0.45 0.00 0.00 0.00 175.76 177.28 2dnc n SER 56 N 1.61 0.37 -4.21 0.00 2.88 -1.26 0.18 113.62 113.19 2dnc n SER 56 Ca -0.05 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 2dnc n SER 56 Cb 0.48 1.14 -0.10 0.00 -0.75 0.00 0.00 64.21 64.98 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 -5.09 0.69 -0.20 -3.46 1.11 -1.26 -4.77 116.67 103.68 2dnc s ASP 57 Ca -0.05 -1.26 -0.08 0.00 0.18 0.00 0.00 52.55 51.34 2dnc s ASP 57 Cb 0.11 0.24 -0.04 0.00 1.07 0.00 0.00 42.92 44.30 2dnc s ASP 57 CO 0.85 -0.70 0.07 1.51 1.18 0.00 0.00 175.17 178.08 2dnc s ASP 58 N -3.15 5.53 0.05 0.27 1.47 -1.26 -3.19 116.67 116.39 2dnc s ASP 58 Ca 0.29 0.01 -0.06 0.00 1.18 0.00 0.00 52.55 53.97 2dnc s ASP 58 Cb 0.07 -1.96 0.02 0.00 -0.34 0.00 0.00 42.92 40.71 2dnc s ASP 58 CO 0.06 0.11 0.28 0.61 0.68 0.00 0.00 175.17 176.91 2dnc n GLY 59 N 3.96 1.13 3.70 2.12 0.00 -0.19 -4.66 105.19 111.24 2dnc n GLY 59 Ca -0.16 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.44 4.87 -0.90 -0.61 -1.09 0.18 0.19 121.20 121.39 2dnc s ILE 60 Ca 0.06 -0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.21 2dnc s ILE 60 Cb -0.01 -3.15 -0.11 0.00 -1.58 0.00 0.00 42.46 37.61 2dnc s ILE 60 CO 0.02 0.52 2.16 -0.22 -1.23 0.00 0.00 174.94 176.19 2dnc s LEU 61 N -0.15 2.94 0.06 2.97 0.20 0.15 -0.49 118.68 124.36 2dnc s LEU 61 Ca 0.08 -0.49 -0.22 0.00 0.69 0.00 0.00 54.13 54.19 2dnc s LEU 61 Cb -0.12 -2.56 -0.10 0.00 -0.43 0.00 0.00 46.19 42.98 2dnc s LEU 61 CO 0.01 -3.49 1.35 0.00 -0.29 0.00 0.00 176.35 173.93 2dnc h ALA 62 N 11.78 -0.89 -2.87 5.97 0.00 -0.35 0.42 119.26 133.32 2dnc h ALA 62 Ca 0.06 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2dnc h ALA 62 Cb 1.00 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 2dnc h ALA 62 CO 1.10 -0.95 -0.14 -1.59 0.00 0.00 0.00 179.25 177.67 2dnc s LYS 63 N -4.74 1.74 -0.54 0.00 -2.85 -0.93 -4.37 119.74 108.05 2dnc s LYS 63 Ca -0.11 -1.50 0.04 0.00 -1.00 0.00 0.00 55.97 53.40 2dnc s LYS 63 Cb 0.03 0.46 0.14 0.00 -2.06 0.00 0.00 37.83 36.41 2dnc s LYS 63 CO 0.38 -0.73 0.32 0.42 0.10 0.00 0.00 175.35 175.84 2dnc s ILE 64 N -3.47 2.26 0.22 3.79 1.01 -1.26 -1.64 121.20 122.11 2dnc s ILE 64 Ca 0.26 -3.34 -0.18 0.00 0.00 0.00 0.00 60.65 57.39 2dnc s ILE 64 Cb -0.00 -2.54 0.22 0.00 0.01 0.00 0.00 42.46 40.14 2dnc s ILE 64 CO 0.14 -0.90 1.52 0.52 0.00 0.00 0.00 174.94 176.22 2dnc n VAL 65 N 2.91 -0.53 -3.96 2.92 0.31 0.15 -3.76 118.33 116.38 2dnc n VAL 65 Ca 0.11 2.30 -0.35 0.00 -0.01 0.00 0.00 64.34 66.40 2dnc n VAL 65 Cb 0.34 -3.03 -0.14 0.00 -0.91 0.00 0.00 33.84 30.10 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 -5.90 2.93 0.57 2.52 1.01 -0.20 -4.98 120.40 116.35 2dnc s VAL 66 Ca -0.13 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 2dnc s VAL 66 Cb 0.19 -2.45 0.13 0.00 0.00 0.00 0.00 36.38 34.26 2dnc s VAL 66 CO 0.69 0.25 0.69 -0.62 0.00 0.00 0.00 175.10 176.12 2dnc n GLU 67 N 4.69 -1.10 -2.94 2.72 -0.58 -1.25 -4.85 120.64 117.34 2dnc n GLU 67 Ca -0.17 -1.08 -0.35 0.00 -0.42 0.00 0.00 57.16 55.14 2dnc n GLU 67 Cb 0.48 -0.79 -0.06 0.00 -0.57 0.00 0.00 31.44 30.50 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 -4.52 4.32 0.00 3.49 -1.05 -1.26 -3.95 118.70 115.73 2dnc s GLU 68 Ca 0.40 1.04 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 2dnc s GLU 68 Cb -0.02 -2.62 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 2dnc s GLU 68 CO 0.29 0.22 0.00 0.41 0.95 0.00 0.00 175.26 177.13 2dnc n GLY 69 N 0.19 0.65 3.88 -3.83 0.00 -0.70 -5.01 105.19 100.37 2dnc n GLY 69 Ca 0.02 0.00 -0.30 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 -1.90 6.46 0.13 1.61 0.01 -1.25 -5.00 113.70 113.77 2dnc s SER 70 Ca 0.00 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.33 2dnc s SER 70 Cb 0.00 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 2dnc s SER 70 CO 0.00 -0.43 0.04 -1.59 0.41 0.00 0.00 173.24 171.67 2dnc s LYS 71 N -4.02 0.94 -0.92 12.44 0.00 -1.26 -2.55 119.74 124.37 2dnc s LYS 71 Ca 0.50 -1.44 -0.05 0.00 0.00 0.00 0.00 55.97 54.98 2dnc s LYS 71 Cb -0.10 0.13 -0.03 0.00 0.00 0.00 0.00 37.83 37.82 2dnc s LYS 71 CO 0.34 -0.22 0.81 0.09 0.00 0.00 0.00 175.35 176.37 2dnc n ASN 72 N -0.11 -6.96 -4.31 0.03 4.13 -0.95 -4.94 115.26 102.14 2dnc n ASN 72 Ca -0.06 -0.48 -0.46 0.00 1.68 0.00 0.00 54.58 55.25 2dnc n ASN 72 Cb 0.63 -5.00 -0.04 0.00 -1.54 0.00 0.00 39.78 33.83 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 -3.22 5.26 0.80 2.41 -1.09 0.32 -4.82 121.20 120.86 2dnc s ILE 73 Ca 0.26 -1.76 -0.14 0.00 -2.23 0.00 0.00 60.65 56.79 2dnc s ILE 73 Cb -0.04 -4.34 0.07 0.00 -1.58 0.00 0.00 42.46 36.57 2dnc s ILE 73 CO 0.76 -0.91 1.15 0.54 -1.23 0.00 0.00 174.94 175.25 2dnc n ARG 74 N 4.91 0.20 -1.04 2.79 1.74 -1.26 -0.96 116.66 123.03 2dnc n ARG 74 Ca -0.07 0.14 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 2dnc n ARG 74 Cb 0.42 -2.39 0.15 0.00 -1.02 0.00 0.00 32.46 29.61 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dnc s LEU 75 N -5.22 2.33 -1.42 0.55 1.43 -1.19 -3.58 118.68 111.57 2dnc s LEU 75 Ca 0.73 1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 55.41 2dnc s LEU 75 Cb -0.29 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 41.87 2dnc s LEU 75 CO 0.51 -2.80 1.07 0.61 0.23 0.00 0.00 176.35 175.96 2dnc n GLY 76 N -0.67 -0.54 3.22 -3.19 0.00 -1.21 -4.89 105.19 97.92 2dnc n GLY 76 Ca 0.08 0.23 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.22 3.14 -0.00 1.61 0.01 -1.24 -4.85 113.70 109.16 2dnc s SER 77 Ca 0.56 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 2dnc s SER 77 Cb -0.25 -1.42 -0.06 0.00 0.21 0.00 0.00 66.02 64.49 2dnc s SER 77 CO 0.69 0.15 1.61 -0.76 0.41 0.00 0.00 173.24 175.34 2dnc s LEU 78 N 0.38 4.34 -0.09 2.44 1.43 -1.26 -1.70 118.68 124.21 2dnc s LEU 78 Ca -0.18 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.31 2dnc s LEU 78 Cb -0.18 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.38 2dnc s LEU 78 CO 0.08 -0.88 0.03 2.30 0.23 0.00 0.00 176.35 178.12 2dnc n ILE 79 N 5.08 0.65 -3.51 -0.59 -5.35 0.35 -4.20 119.36 111.78 2dnc n ILE 79 Ca 0.16 -0.40 -0.14 0.00 -0.27 0.00 0.00 62.75 62.10 2dnc n ILE 79 Cb 0.42 -0.75 -0.04 0.00 -1.74 0.00 0.00 39.64 37.53 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 -4.16 -0.51 -0.12 3.28 0.00 -1.23 0.34 107.32 104.92 2dnc s GLY 80 Ca -0.05 1.23 0.02 0.00 0.00 0.00 0.00 44.72 45.93 2dnc s GLY 80 CO 0.39 0.71 -0.19 -2.27 0.00 0.00 0.00 173.10 171.73 2dnc s LEU 81 N -1.70 2.33 0.12 0.66 1.98 -0.65 0.41 118.68 121.83 2dnc s LEU 81 Ca -0.04 -0.48 0.02 0.00 -2.89 0.00 0.00 54.13 50.73 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 0.15 0.26 -0.63 -1.89 0.00 0.00 176.35 174.24 2dnc s ILE 82 N 0.44 5.32 -0.03 6.68 1.01 0.63 0.41 121.20 135.65 2dnc s ILE 82 Ca -0.14 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2dnc s ILE 82 Cb -0.17 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2dnc s ILE 82 CO 0.06 -0.02 -0.04 0.68 0.00 0.00 0.00 174.94 175.62 2dnc s VAL 83 N -1.67 0.47 -0.16 2.92 -7.23 0.35 -1.74 120.40 113.34 2dnc s VAL 83 Ca 0.35 -0.13 -0.39 0.00 -1.81 0.00 0.00 61.98 60.00 2dnc s VAL 83 Cb -0.12 -0.48 -0.18 0.00 0.56 0.00 0.00 36.38 36.16 2dnc s VAL 83 CO 0.28 0.19 1.16 -0.62 -0.31 0.00 0.00 175.10 175.80 2dnc n GLU 84 N 3.79 0.00 -1.67 4.82 1.02 -1.26 -0.65 120.64 126.68 2dnc n GLU 84 Ca -0.23 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.29 2dnc n GLU 84 Cb 0.52 -1.38 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 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 2.20 0.42 0.00 3.49 -0.58 -1.26 -0.75 120.64 124.16 2dnc n GLU 85 Ca 0.22 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 2dnc n GLU 85 Cb 0.03 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 2dnc n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dnc n GLY 86 N 3.38 3.05 3.41 0.62 0.00 -1.26 -5.03 105.19 109.36 2dnc n GLY 86 Ca 0.26 -0.82 -0.59 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 -1.54 1.61 0.00 0.07 -4.58 120.64 116.20 2dnc n GLU 87 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 2dnc n GLU 87 Cb 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 31.44 29.91 2dnc n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dnc n ASP 88 N 2.31 1.04 0.19 4.31 8.00 -1.26 -4.72 116.55 126.41 2dnc n ASP 88 Ca 0.23 -1.23 -0.15 0.00 0.71 0.00 0.00 54.79 54.35 2dnc n ASP 88 Cb 0.03 -1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 39.66 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2dnc h TRP 89 N 12.50 -0.41 -3.22 1.24 5.08 -1.94 -3.41 115.95 125.79 2dnc h TRP 89 Ca 0.00 -0.01 -0.58 0.00 1.08 0.00 0.00 58.89 59.38 2dnc h TRP 89 Cb 1.04 0.14 -0.05 0.00 -3.00 0.00 0.00 29.16 27.29 2dnc h TRP 89 CO 1.21 -0.25 -0.08 0.21 -1.28 0.00 0.00 178.44 178.25 2dnc s LYS 90 N -6.12 4.20 1.20 0.12 2.20 -1.26 -5.01 119.74 115.06 2dnc s LYS 90 Ca -0.15 0.64 -0.18 0.00 -0.36 0.00 0.00 55.97 55.91 2dnc s LYS 90 Cb 0.05 -3.29 0.24 0.00 -1.51 0.00 0.00 37.83 33.32 2dnc s LYS 90 CO 0.64 0.51 0.52 1.58 -0.36 0.00 0.00 175.35 178.24 2dnc n HIS 91 N 2.29 -2.49 -1.81 4.03 -0.00 -1.26 -4.76 115.22 111.22 2dnc n HIS 91 Ca -0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.37 2dnc n HIS 91 Cb 0.51 -1.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.06 2dnc n HIS 91 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2dnc n VAL 92 N -4.95 -9.13 -4.14 3.57 0.31 -1.26 -5.07 118.33 97.65 2dnc n VAL 92 Ca 0.07 2.79 -0.09 0.00 -0.01 0.00 0.00 64.34 67.09 2dnc n VAL 92 Cb 0.51 -4.28 -0.10 0.00 -0.91 0.00 0.00 33.84 29.05 2dnc n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dnc s SER 93 N -1.15 0.52 -0.11 4.52 1.04 -1.26 -5.06 113.70 112.19 2dnc s SER 93 Ca 0.00 -1.12 -0.31 0.00 0.48 0.00 0.00 55.95 55.00 2dnc s SER 93 Cb 0.00 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.48 2dnc s SER 93 CO 0.00 -0.65 1.04 -0.83 0.98 0.00 0.00 173.24 173.78 2dnc s GLY 94 N -3.02 -0.34 -0.68 7.32 0.00 -1.26 -5.10 107.32 104.25 2dnc s GLY 94 Ca 0.18 1.53 -0.27 0.00 0.00 0.00 0.00 44.72 46.16 2dnc s GLY 94 CO -0.02 0.60 1.56 2.56 0.00 0.00 0.00 173.10 177.80 2dnc s PRO 95 N -2.32 2.92 0.27 2.90 0.04 -1.26 -4.95 135.00 132.60 2dnc s PRO 95 Ca 0.05 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.30 2dnc s PRO 95 Cb -0.01 -4.28 -0.06 0.00 0.04 0.00 0.00 34.50 30.20 2dnc s PRO 95 CO -0.05 -2.43 0.01 -1.12 0.04 0.00 0.00 177.00 173.45 2dnc s SER 96 N 5.83 2.12 0.15 6.66 0.01 -1.26 -5.16 113.70 122.07 2dnc s SER 96 Ca 0.51 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2dnc s SER 96 Cb -0.10 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 2dnc s SER 96 CO 0.18 -0.52 0.32 -0.55 0.41 0.00 0.00 173.24 173.08 2dnc s SER 97 N -3.38 6.37 0.00 2.44 0.15 -1.26 -5.32 113.70 112.70 2dnc s SER 97 Ca 0.32 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2dnc s SER 97 Cb 0.06 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2dnc s SER 97 CO 0.12 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.20