#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnc s SER 2 N 0.00 5.59 -0.30 1.61 0.01 -1.26 -4.96 113.70 114.39 2dnc s SER 2 Ca 0.00 -2.44 -0.06 0.00 1.31 0.00 0.00 55.95 54.76 2dnc s SER 2 Cb 0.00 -1.94 0.19 0.00 0.21 0.00 0.00 66.02 64.47 2dnc s SER 2 CO 0.00 -0.52 0.90 -0.55 0.41 0.00 0.00 173.24 173.48 2dnc s SER 3 N 1.63 -0.81 -0.22 2.44 0.15 -1.26 -5.17 113.70 110.46 2dnc s SER 3 Ca 0.13 0.16 -0.34 0.00 0.70 0.00 0.00 55.95 56.60 2dnc s SER 3 Cb -0.21 1.54 0.15 0.00 -1.71 0.00 0.00 66.02 65.79 2dnc s SER 3 CO -0.04 -0.15 1.25 -0.83 1.20 0.00 0.00 173.24 174.68 2dnc s GLY 4 N 2.92 -0.19 0.05 9.45 0.00 -1.26 -5.18 107.32 113.10 2dnc s GLY 4 Ca 0.19 1.95 -0.06 0.00 0.00 0.00 0.00 44.72 46.80 2dnc s GLY 4 CO -0.22 0.72 0.12 -1.35 0.00 0.00 0.00 173.10 172.36 2dnc s SER 5 N -1.81 0.19 -0.29 1.64 1.04 -1.26 -5.13 113.70 108.08 2dnc s SER 5 Ca 0.09 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.89 2dnc s SER 5 Cb -0.01 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.47 2dnc s SER 5 CO -0.04 -0.58 0.10 -0.55 0.98 0.00 0.00 173.24 173.15 2dnc s SER 6 N -2.42 3.69 0.00 7.02 0.15 -1.26 -5.09 113.70 115.80 2dnc s SER 6 Ca -0.01 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.24 2dnc s SER 6 Cb 0.02 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2dnc s SER 6 CO -0.07 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2dnc n GLY 7 N 5.04 0.92 3.42 9.45 0.00 -1.26 -4.94 105.19 117.80 2dnc n GLY 7 Ca -0.04 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.19 5.21 -0.21 -0.61 1.01 0.23 -4.91 121.20 120.73 2dnc s ILE 8 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 2dnc s ILE 8 Cb 0.00 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 2dnc s ILE 8 CO 0.00 -0.46 1.16 -1.59 0.00 0.00 0.00 174.94 174.06 2dnc s LYS 9 N 1.65 4.21 -0.52 2.79 -2.85 -1.26 0.68 119.74 124.44 2dnc s LYS 9 Ca 0.04 1.48 -0.28 0.00 -1.00 0.00 0.00 55.97 56.21 2dnc s LYS 9 Cb -0.22 -3.72 0.01 0.00 -2.06 0.00 0.00 37.83 31.84 2dnc s LYS 9 CO 0.08 -0.71 1.41 0.42 0.10 0.00 0.00 175.35 176.64 2dnc s ILE 10 N 3.44 3.83 -0.10 3.79 1.01 0.27 -4.96 121.20 128.48 2dnc s ILE 10 Ca 0.50 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 2dnc s ILE 10 Cb -0.18 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2dnc s ILE 10 CO 0.12 -1.06 0.10 -0.76 0.00 0.00 0.00 174.94 173.34 2dnc s LEU 11 N 5.87 4.15 -0.23 2.97 1.43 -1.26 -1.40 118.68 130.21 2dnc s LEU 11 Ca 0.55 0.36 -0.32 0.00 -1.03 0.00 0.00 54.13 53.68 2dnc s LEU 11 Cb -0.11 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.97 2dnc s LEU 11 CO 0.27 0.39 2.12 0.80 0.23 0.00 0.00 176.35 180.15 2dnc n MET 12 N 1.93 1.72 -2.54 1.70 0.00 -0.35 -4.80 117.12 114.77 2dnc n MET 12 Ca -0.19 0.53 -0.35 0.00 -0.00 0.00 0.00 57.70 57.69 2dnc n MET 12 Cb 0.54 -2.79 -0.04 0.00 0.00 0.00 0.00 33.22 30.93 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 5.66 3.95 -0.98 2.12 0.04 -1.26 -2.72 135.00 141.81 2dnc s PRO 13 Ca 1.02 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.41 2dnc s PRO 13 Cb -0.62 -2.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.53 2dnc s PRO 13 CO 0.45 -0.32 2.74 0.43 0.04 0.00 0.00 177.00 180.34 2dnc n SER 14 N -0.61 6.45 -0.33 6.66 7.64 -1.26 -4.65 113.62 127.52 2dnc n SER 14 Ca 0.08 -2.43 0.02 0.00 1.01 0.00 0.00 58.87 57.55 2dnc n SER 14 Cb 0.51 -1.32 0.09 0.00 -1.01 0.00 0.00 64.21 62.49 2dnc n SER 14 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dnc h LEU 15 N 6.90 -1.02-10.23 -3.43 3.38 -1.96 -3.39 115.31 105.57 2dnc h LEU 15 Ca 0.57 0.28 -0.49 0.00 0.09 0.00 0.00 57.88 58.32 2dnc h LEU 15 Cb 0.50 0.61 0.02 0.00 0.09 0.00 0.00 40.66 41.88 2dnc h LEU 15 CO 1.28 -0.30 0.13 -0.44 0.09 0.00 0.00 178.44 179.21 2dnc s SER 16 N -5.27 6.40 0.43 -0.43 0.01 -1.26 -4.98 113.70 108.59 2dnc s SER 16 Ca -0.15 1.07 0.23 0.00 1.31 0.00 0.00 55.95 58.42 2dnc s SER 16 Cb 0.23 -2.30 0.68 0.00 0.21 0.00 0.00 66.02 64.84 2dnc s SER 16 CO 0.75 -0.50 1.72 1.55 0.41 0.00 0.00 173.24 177.17 2dnc h PRO 17 N 0.74 0.00 -1.81 12.44 0.13 -2.02 -3.33 132.00 138.15 2dnc h PRO 17 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 2dnc h PRO 17 Cb 1.19 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 2dnc h PRO 17 CO 0.63 0.20 -1.17 0.25 -0.23 0.00 0.00 178.00 177.68 2dnc n THR 18 N -3.24 -0.04 -4.45 1.56 -2.24 -1.26 -5.10 114.28 99.51 2dnc n THR 18 Ca 0.01 -4.29 -0.32 0.00 -2.27 0.00 0.00 64.05 57.18 2dnc n THR 18 Cb 0.50 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.38 2.60 -0.06 -0.78 0.00 -1.25 -5.00 119.30 112.42 2dnc s MET 19 Ca 0.38 -0.69 0.09 0.00 0.00 0.00 0.00 55.69 55.46 2dnc s MET 19 Cb 0.36 -2.53 -0.13 0.00 0.00 0.00 0.00 34.83 32.53 2dnc s MET 19 CO -0.07 0.61 0.11 -1.91 0.00 0.00 0.00 175.02 173.76 2dnc n GLU 20 N 1.59 1.61 -3.38 4.11 2.13 -1.26 -4.90 120.64 120.54 2dnc n GLU 20 Ca -0.16 -0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.54 2dnc n GLU 20 Cb 0.53 -1.24 0.01 0.00 0.27 0.00 0.00 31.44 31.01 2dnc n GLU 20 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2dnc n GLU 21 N -2.14 0.87 -3.98 5.31 0.28 -1.26 0.99 120.64 120.71 2dnc n GLU 21 Ca -0.10 -1.97 -0.10 0.00 -0.16 0.00 0.00 57.16 54.83 2dnc n GLU 21 Cb 0.59 2.32 -0.04 0.00 1.43 0.00 0.00 31.44 35.74 2dnc n GLU 21 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2dnc s GLY 22 N -2.75 0.64 -0.20 -1.84 0.00 -0.95 -4.88 107.32 97.34 2dnc s GLY 22 Ca 0.16 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 2dnc s GLY 22 CO 0.12 -0.60 -0.04 -1.31 0.00 0.00 0.00 173.10 171.26 2dnc s ASN 23 N -3.06 3.36 -0.49 1.64 0.01 -1.16 -1.55 114.94 113.69 2dnc s ASN 23 Ca 0.22 -0.94 -0.27 0.00 -0.71 0.00 0.00 52.86 51.16 2dnc s ASN 23 Cb -0.02 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 40.59 2dnc s ASN 23 CO 0.11 -0.22 2.02 -0.63 -1.51 0.00 0.00 177.10 176.87 2dnc s ILE 24 N 1.54 3.26 0.02 0.60 1.09 -0.97 0.02 121.20 126.76 2dnc s ILE 24 Ca -0.03 0.19 -0.19 0.00 -1.10 0.00 0.00 60.65 59.53 2dnc s ILE 24 Cb -0.17 -3.56 -0.10 0.00 -1.06 0.00 0.00 42.46 37.56 2dnc s ILE 24 CO -0.07 -0.50 1.17 0.58 -0.10 0.00 0.00 174.94 176.02 2dnc h VAL 25 N 7.11 0.00 -2.65 2.92 2.07 0.19 -2.07 116.25 123.81 2dnc h VAL 25 Ca -0.28 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2dnc h VAL 25 Cb 1.20 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.78 2dnc h VAL 25 CO 1.15 0.00 -0.07 -0.75 0.02 0.00 0.00 177.57 177.91 2dnc s LYS 26 N -4.29 0.86 -0.16 1.57 2.20 -1.24 -3.58 119.74 115.11 2dnc s LYS 26 Ca -0.10 -0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.23 2dnc s LYS 26 Cb 0.01 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 2dnc s LYS 26 CO 0.30 -0.26 0.68 -1.58 -0.36 0.00 0.00 175.35 174.13 2dnc s TRP 27 N -1.49 3.44 -1.71 4.03 0.52 -1.26 -0.89 118.94 121.57 2dnc s TRP 27 Ca -0.11 1.07 0.28 0.00 0.02 0.00 0.00 56.10 57.36 2dnc s TRP 27 Cb -0.03 -2.84 1.14 0.00 -1.15 0.00 0.00 33.47 30.60 2dnc s TRP 27 CO 0.05 -0.11 1.81 1.28 0.02 0.00 0.00 176.95 179.99 2dnc n LEU 28 N 4.74 0.61 -4.26 2.99 4.77 0.33 -4.84 117.00 121.34 2dnc n LEU 28 Ca -0.00 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 2dnc n LEU 28 Cb 0.50 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2dnc n LEU 28 CO 0.46 0.11 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.67 2dnc s LYS 29 N -2.45 1.09 0.28 3.23 -0.14 -0.90 -4.94 119.74 115.92 2dnc s LYS 29 Ca 0.29 -1.45 0.09 0.00 -1.36 0.00 0.00 55.97 53.53 2dnc s LYS 29 Cb 0.20 -0.71 -0.04 0.00 -1.68 0.00 0.00 37.83 35.59 2dnc s LYS 29 CO 0.47 0.10 0.07 0.15 -0.76 0.00 0.00 175.35 175.38 2dnc s LYS 30 N -3.64 2.43 -0.36 1.68 -0.14 -1.26 -5.05 119.74 113.39 2dnc s LYS 30 Ca 0.17 -1.38 -0.28 0.00 -1.36 0.00 0.00 55.97 53.11 2dnc s LYS 30 Cb 0.01 -2.24 -0.01 0.00 -1.68 0.00 0.00 37.83 33.92 2dnc s LYS 30 CO 0.02 0.31 1.68 -1.21 -0.76 0.00 0.00 175.35 175.38 2dnc s GLU 31 N -3.74 3.40 0.00 1.68 2.02 -1.26 -2.33 118.70 118.47 2dnc s GLU 31 Ca 0.33 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.58 2dnc s GLU 31 Cb -0.06 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.03 2dnc s GLU 31 CO 0.21 -1.77 0.00 0.41 0.02 0.00 0.00 175.26 174.13 2dnc n GLY 32 N 5.32 2.26 3.66 -1.39 0.00 0.94 -5.02 105.19 110.96 2dnc n GLY 32 Ca 0.21 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2dnc n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dnc n GLU 33 N 0.00 0.30 -1.55 1.61 -0.58 -0.98 -4.43 120.64 115.01 2dnc n GLU 33 Ca 0.00 0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.62 2dnc n GLU 33 Cb 0.00 -2.36 0.13 0.00 -0.57 0.00 0.00 31.44 28.64 2dnc n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dnc s ALA 34 N -2.02 1.87 -0.00 0.62 0.00 -1.26 -1.31 121.76 119.66 2dnc s ALA 34 Ca 0.73 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2dnc s ALA 34 Cb -0.31 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2dnc s ALA 34 CO 0.51 -2.19 0.05 0.08 0.00 0.00 0.00 175.76 174.22 2dnc s VAL 35 N -3.27 0.06 -0.02 0.00 1.01 0.50 -4.74 120.40 113.94 2dnc s VAL 35 Ca 0.63 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2dnc s VAL 35 Cb -0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 2dnc s VAL 35 CO 0.53 -0.29 -0.10 -0.44 0.00 0.00 0.00 175.10 174.80 2dnc s SER 36 N -0.92 1.28 0.19 3.32 0.01 -1.26 -1.92 113.70 114.39 2dnc s SER 36 Ca -0.10 -0.20 -0.33 0.00 1.31 0.00 0.00 55.95 56.63 2dnc s SER 36 Cb -0.06 -0.28 -0.13 0.00 0.21 0.00 0.00 66.02 65.76 2dnc s SER 36 CO 0.00 0.09 1.62 0.00 0.41 0.00 0.00 173.24 175.36 2dnc n ALA 37 N 3.13 1.93 0.00 1.44 0.00 -1.26 -1.33 120.51 124.41 2dnc n ALA 37 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2dnc n ALA 37 Cb 0.55 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 3.49 3.06 3.77 0.00 0.00 -0.38 -4.93 105.19 110.19 2dnc n GLY 38 Ca 0.16 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 0.14 6.32 0.37 1.61 1.11 -0.44 -4.48 116.67 121.29 2dnc s ASP 39 Ca 0.00 2.72 -0.27 0.00 0.18 0.00 0.00 52.55 55.18 2dnc s ASP 39 Cb 0.00 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 2dnc s ASP 39 CO 0.00 -0.85 1.31 0.00 1.18 0.00 0.00 175.17 176.81 2dnc s ALA 40 N -1.23 3.39 -0.17 5.23 0.00 -1.26 -0.17 121.76 127.55 2dnc s ALA 40 Ca 0.56 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 2dnc s ALA 40 Cb -0.40 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.17 2dnc s ALA 40 CO 0.51 -0.73 -0.26 1.28 0.00 0.00 0.00 175.76 176.57 2dnc n LEU 41 N 0.49 1.52 -3.88 0.00 4.77 0.50 -4.76 117.00 115.63 2dnc n LEU 41 Ca 0.02 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2dnc n LEU 41 Cb 0.42 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2dnc n LEU 41 CO 0.58 0.14 0.42 0.00 -1.33 0.00 0.00 177.39 177.20 2dnc s GLU 43 N -3.50 3.53 0.02 0.00 2.02 -0.07 0.15 118.70 120.85 2dnc s GLU 43 Ca 0.15 -0.38 0.07 0.00 0.02 0.00 0.00 54.97 54.83 2dnc s GLU 43 Cb -0.05 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 2dnc s GLU 43 CO 0.09 0.46 -0.21 0.42 0.02 0.00 0.00 175.26 176.04 2dnc s ILE 44 N -0.19 1.69 0.06 -1.63 1.01 0.21 0.19 121.20 122.54 2dnc s ILE 44 Ca 0.06 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 2dnc s ILE 44 Cb -0.12 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 2dnc s ILE 44 CO 0.02 0.33 0.53 -1.61 0.00 0.00 0.00 174.94 174.21 2dnc s GLU 45 N -0.89 4.12 0.02 2.79 2.02 0.10 -1.88 118.70 124.99 2dnc s GLU 45 Ca 0.08 0.65 -0.07 0.00 0.02 0.00 0.00 54.97 55.65 2dnc s GLU 45 Cb -0.09 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.93 2dnc s GLU 45 CO 0.01 0.64 0.12 0.95 0.02 0.00 0.00 175.26 177.00 2dnc s THR 46 N -1.13 0.11 0.30 3.63 -4.23 -1.05 -2.97 115.64 110.30 2dnc s THR 46 Ca 0.28 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 2dnc s THR 46 Cb -0.19 -0.70 0.32 0.00 1.34 0.00 0.00 72.50 73.27 2dnc s THR 46 CO 0.18 -0.50 1.65 -0.78 -0.54 0.00 0.00 174.62 174.63 2dnc h ASP 47 N 3.89 0.12 0.00 3.99 1.82 -1.96 -2.26 116.42 122.04 2dnc h ASP 47 Ca -0.32 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2dnc h ASP 47 Cb 1.19 0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.44 2dnc h ASP 47 CO 0.46 -0.16 0.00 0.29 -1.61 0.00 0.00 179.24 178.22 2dnc n LYS 48 N -5.19 0.00 -0.99 0.28 4.76 -1.26 -5.00 118.16 110.75 2dnc n LYS 48 Ca 0.24 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2dnc n LYS 48 Cb 0.77 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 2dnc n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dnc n ALA 49 N -1.19 0.00 -2.58 7.82 0.00 -0.85 -5.10 120.51 118.61 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 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.85 3.86 0.33 0.00 0.11 -1.26 -2.53 120.40 118.07 2dnc s VAL 50 Ca 0.00 0.52 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 2dnc s VAL 50 Cb 0.00 -4.84 -0.01 0.00 -1.53 0.00 0.00 36.38 30.00 2dnc s VAL 50 CO 0.00 -1.66 0.42 0.68 -3.33 0.00 0.00 175.10 171.21 2dnc s VAL 51 N 5.36 4.00 0.05 2.04 -7.23 -0.79 -4.97 120.40 118.86 2dnc s VAL 51 Ca 0.37 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.52 2dnc s VAL 51 Cb -0.08 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 2dnc s VAL 51 CO 0.18 -0.17 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.69 2dnc s THR 52 N -2.20 2.48 -0.35 5.32 2.01 -1.26 -0.62 115.64 121.01 2dnc s THR 52 Ca 0.43 -1.32 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 2dnc s THR 52 Cb -0.09 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.41 2dnc s THR 52 CO 0.30 0.33 0.76 -0.22 -0.69 0.00 0.00 174.62 175.10 2dnc s LEU 53 N -1.41 4.14 -0.06 4.42 0.20 0.41 -4.89 118.68 121.49 2dnc s LEU 53 Ca 0.13 0.36 -0.16 0.00 0.69 0.00 0.00 54.13 55.16 2dnc s LEU 53 Cb -0.10 -2.99 -0.05 0.00 -0.43 0.00 0.00 46.19 42.61 2dnc s LEU 53 CO 0.04 -0.69 0.41 -1.81 -0.29 0.00 0.00 176.35 174.01 2dnc s ASP 54 N 1.80 6.72 0.40 3.68 1.01 -1.26 0.19 116.67 129.21 2dnc s ASP 54 Ca 0.30 0.86 -0.26 0.00 0.71 0.00 0.00 52.55 54.16 2dnc s ASP 54 Cb -0.13 -2.25 -0.11 0.00 1.01 0.00 0.00 42.92 41.44 2dnc s ASP 54 CO 0.16 0.19 1.24 0.00 0.21 0.00 0.00 175.17 176.97 2dnc n ALA 55 N 2.63 1.11 -0.06 5.23 0.00 0.76 -4.77 120.51 125.41 2dnc n ALA 55 Ca -0.12 0.29 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 2dnc n ALA 55 Cb 0.52 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.60 2dnc n ALA 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnc n SER 56 N 0.41 1.80 -4.13 0.00 2.88 -1.26 -1.25 113.62 112.07 2dnc n SER 56 Ca 0.07 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.60 2dnc n SER 56 Cb 0.38 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.26 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 -6.64 0.83 -0.01 -3.46 1.01 -1.26 -4.73 116.67 102.40 2dnc s ASP 57 Ca -0.25 -1.00 -0.27 0.00 0.71 0.00 0.00 52.55 51.75 2dnc s ASP 57 Cb 0.08 0.14 -0.04 0.00 1.01 0.00 0.00 42.92 44.11 2dnc s ASP 57 CO 0.72 -0.52 0.86 1.51 0.21 0.00 0.00 175.17 177.94 2dnc s ASP 58 N -2.96 7.23 0.03 0.27 1.47 -1.26 -4.15 116.67 117.29 2dnc s ASP 58 Ca 0.09 1.48 -0.15 0.00 1.18 0.00 0.00 52.55 55.15 2dnc s ASP 58 Cb 0.06 -2.50 0.05 0.00 -0.34 0.00 0.00 42.92 40.19 2dnc s ASP 58 CO -0.07 -0.16 0.71 0.61 0.68 0.00 0.00 175.17 176.94 2dnc n GLY 59 N 2.87 0.55 3.47 2.12 0.00 -0.81 -4.69 105.19 108.70 2dnc n GLY 59 Ca 0.02 -0.99 -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 -2.13 3.93 -0.84 -0.61 -1.09 0.49 0.19 121.20 121.13 2dnc s ILE 60 Ca 0.16 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 58.01 2dnc s ILE 60 Cb -0.01 -2.75 -0.17 0.00 -1.58 0.00 0.00 42.46 37.95 2dnc s ILE 60 CO 0.01 0.46 2.33 -0.11 -1.23 0.00 0.00 174.94 176.40 2dnc n LEU 61 N 3.87 1.35 0.15 2.97 0.00 -0.43 -0.87 117.00 124.04 2dnc n LEU 61 Ca -0.17 -1.52 -0.15 0.00 0.00 0.00 0.00 56.01 54.16 2dnc n LEU 61 Cb 0.52 -1.54 -0.08 0.00 0.00 0.00 0.00 43.42 42.32 2dnc n LEU 61 CO 0.32 -2.63 0.56 0.00 0.00 0.00 0.00 177.39 175.64 2dnc h ALA 62 N 12.34 -0.86 -2.92 1.96 0.00 -0.98 0.27 119.26 129.07 2dnc h ALA 62 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2dnc h ALA 62 Cb 1.01 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 2dnc h ALA 62 CO 1.07 -1.05 -0.05 -1.59 0.00 0.00 0.00 179.25 177.63 2dnc s LYS 63 N -5.88 1.89 -0.54 0.00 -2.85 -1.08 -4.51 119.74 106.78 2dnc s LYS 63 Ca -0.17 -1.54 0.04 0.00 -1.00 0.00 0.00 55.97 53.31 2dnc s LYS 63 Cb 0.07 0.50 0.16 0.00 -2.06 0.00 0.00 37.83 36.49 2dnc s LYS 63 CO 0.62 -0.82 0.37 0.42 0.10 0.00 0.00 175.35 176.05 2dnc s ILE 64 N -3.14 1.67 0.15 3.79 1.01 -1.26 -2.51 121.20 120.90 2dnc s ILE 64 Ca 0.24 -3.29 -0.29 0.00 0.00 0.00 0.00 60.65 57.31 2dnc s ILE 64 Cb -0.02 -2.13 -0.07 0.00 0.01 0.00 0.00 42.46 40.26 2dnc s ILE 64 CO 0.15 -1.05 1.48 0.52 0.00 0.00 0.00 174.94 176.04 2dnc n VAL 65 N 2.68 -0.64 -3.74 2.92 0.31 0.17 -3.75 118.33 116.28 2dnc n VAL 65 Ca 0.20 2.32 -0.37 0.00 -0.01 0.00 0.00 64.34 66.47 2dnc n VAL 65 Cb 0.39 -2.87 -0.12 0.00 -0.91 0.00 0.00 33.84 30.33 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 -5.42 4.04 0.45 2.52 1.01 0.62 -5.00 120.40 118.62 2dnc s VAL 66 Ca -0.11 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 2dnc s VAL 66 Cb 0.10 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.49 2dnc s VAL 66 CO 0.59 0.06 0.59 -0.62 0.00 0.00 0.00 175.10 175.71 2dnc n GLU 67 N 4.88 -0.70 -2.62 2.72 -0.58 -1.25 -4.84 120.64 118.25 2dnc n GLU 67 Ca -0.14 -0.91 -0.33 0.00 -0.42 0.00 0.00 57.16 55.35 2dnc n GLU 67 Cb 0.48 -0.63 -0.05 0.00 -0.57 0.00 0.00 31.44 30.67 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 -4.29 4.05 0.00 3.49 -1.05 -1.26 -3.72 118.70 115.91 2dnc s GLU 68 Ca 0.34 1.11 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 2dnc s GLU 68 Cb -0.01 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 2dnc s GLU 68 CO 0.24 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.67 2dnc n GLY 69 N -0.87 3.33 3.89 -3.83 0.00 -0.78 -5.02 105.19 101.92 2dnc n GLY 69 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.06 6.32 0.00 1.61 0.01 -1.24 -4.97 113.70 114.36 2dnc s SER 70 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2dnc s SER 70 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dnc s SER 70 CO 0.00 -0.59 0.00 2.29 0.41 0.00 0.00 173.24 175.35 2dnc n LYS 71 N -2.13 0.22 -3.87 12.44 0.00 -1.26 -2.28 118.16 121.28 2dnc n LYS 71 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.00 2dnc n LYS 71 Cb 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.59 2dnc n LYS 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2dnc n ASN 72 N 0.00 -3.45 -4.36 -5.58 3.02 -1.18 -4.87 115.26 98.85 2dnc n ASN 72 Ca 0.00 -1.09 -0.46 0.00 -0.03 0.00 0.00 54.58 53.01 2dnc n ASN 72 Cb 0.00 -2.85 -0.01 0.00 -0.61 0.00 0.00 39.78 36.31 2dnc n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dnc s ILE 73 N -3.65 5.71 1.00 2.41 -1.09 -0.60 -4.91 121.20 120.08 2dnc s ILE 73 Ca 0.33 -2.94 -0.18 0.00 -2.23 0.00 0.00 60.65 55.64 2dnc s ILE 73 Cb -0.14 -4.60 -0.15 0.00 -1.58 0.00 0.00 42.46 35.99 2dnc s ILE 73 CO 0.90 -1.20 -0.84 0.54 -1.23 0.00 0.00 174.94 173.12 2dnc n ARG 74 N 3.62 -0.01 -2.06 2.79 5.12 -1.26 -2.25 116.66 122.60 2dnc n ARG 74 Ca 0.22 -0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.77 2dnc n ARG 74 Cb 0.43 -1.03 0.02 0.00 -1.16 0.00 0.00 32.46 30.72 2dnc n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dnc s LEU 75 N 7.73 3.75 -1.28 0.55 1.43 0.28 -3.32 118.68 127.80 2dnc s LEU 75 Ca 0.40 2.39 -0.10 0.00 -1.03 0.00 0.00 54.13 55.78 2dnc s LEU 75 Cb -0.16 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.55 2dnc s LEU 75 CO 0.81 -1.44 0.59 0.61 0.23 0.00 0.00 176.35 177.15 2dnc n GLY 76 N 0.47 -0.56 3.55 -3.19 0.00 -1.10 -4.90 105.19 99.46 2dnc n GLY 76 Ca 0.12 0.28 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.97 4.29 -0.24 1.61 0.15 -1.21 -4.72 113.70 109.62 2dnc s SER 77 Ca 0.22 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.23 2dnc s SER 77 Cb -0.08 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2dnc s SER 77 CO 0.88 0.22 1.16 -0.76 1.20 0.00 0.00 173.24 175.94 2dnc s LEU 78 N -1.84 4.06 -0.12 3.45 1.43 -1.26 -1.21 118.68 123.18 2dnc s LEU 78 Ca 0.19 1.38 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 2dnc s LEU 78 Cb -0.11 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.45 2dnc s LEU 78 CO 0.10 -0.81 -0.00 2.30 0.23 0.00 0.00 176.35 178.17 2dnc n ILE 79 N 5.60 0.76 -3.49 -0.59 -5.35 -0.50 -4.49 119.36 111.30 2dnc n ILE 79 Ca 0.13 -0.43 -0.12 0.00 -0.27 0.00 0.00 62.75 62.06 2dnc n ILE 79 Cb 0.46 -0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 37.55 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 -0.51 -0.09 3.28 0.00 -1.25 0.45 107.32 104.63 2dnc s GLY 80 Ca -0.09 1.07 0.01 0.00 0.00 0.00 0.00 44.72 45.71 2dnc s GLY 80 CO 0.42 0.52 -0.10 -2.27 0.00 0.00 0.00 173.10 171.67 2dnc s LEU 81 N -2.07 2.96 0.04 0.66 1.98 -1.05 0.95 118.68 122.15 2dnc s LEU 81 Ca -0.01 -0.15 0.04 0.00 -2.89 0.00 0.00 54.13 51.12 2dnc s LEU 81 Cb -0.01 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.16 2dnc s LEU 81 CO -0.04 0.29 -0.06 -0.63 -1.89 0.00 0.00 176.35 174.01 2dnc s ILE 82 N -0.37 3.66 -0.01 6.68 1.01 0.21 -0.30 121.20 132.08 2dnc s ILE 82 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.84 2dnc s ILE 82 Cb -0.12 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 2dnc s ILE 82 CO 0.02 0.30 -0.12 0.68 0.00 0.00 0.00 174.94 175.83 2dnc s VAL 83 N -1.09 0.92 0.14 2.92 -7.23 -0.05 0.74 120.40 116.75 2dnc s VAL 83 Ca 0.19 -0.49 -0.35 0.00 -1.81 0.00 0.00 61.98 59.53 2dnc s VAL 83 Cb -0.11 -0.78 -0.15 0.00 0.56 0.00 0.00 36.38 35.90 2dnc s VAL 83 CO 0.10 0.26 1.42 -0.62 -0.31 0.00 0.00 175.10 175.96 2dnc n GLU 84 N 2.85 1.63 -1.27 4.82 1.02 -1.26 0.18 120.64 128.62 2dnc n GLU 84 Ca -0.14 0.59 -0.57 0.00 -0.02 0.00 0.00 57.16 57.01 2dnc n GLU 84 Cb 0.56 -2.26 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 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 2.71 0.00 -1.23 3.49 1.02 -1.26 -2.14 120.64 123.23 2dnc n GLU 85 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2dnc n GLU 85 Cb 0.25 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 6.06 0.43 2.78 0.62 0.00 -1.26 -5.04 105.19 108.78 2dnc n GLY 86 Ca 0.45 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.03 1.63 -3.29 1.61 1.02 -0.91 -5.02 120.64 114.63 2dnc n GLU 87 Ca 0.00 -3.05 -0.19 0.00 -0.02 0.00 0.00 57.16 53.90 2dnc n GLU 87 Cb 0.41 -1.20 0.01 0.00 -0.02 0.00 0.00 31.44 30.64 2dnc n GLU 87 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dnc n ASP 88 N -0.75 -6.54 0.09 1.62 -0.08 -1.26 -4.87 116.55 104.75 2dnc n ASP 88 Ca 0.02 -0.13 -0.23 0.00 -1.51 0.00 0.00 54.79 52.94 2dnc n ASP 88 Cb 0.82 -3.49 -0.15 0.00 2.34 0.00 0.00 41.12 40.64 2dnc n ASP 88 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 2dnc h TRP 89 N 1.19 0.77 0.00 -0.67 5.08 -1.94 -3.13 115.95 117.25 2dnc h TRP 89 Ca -0.30 -0.56 0.00 0.00 1.08 0.00 0.00 58.89 59.10 2dnc h TRP 89 Cb 1.21 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2dnc h TRP 89 CO 0.12 1.64 0.00 1.17 -1.28 0.00 0.00 178.44 180.09 2dnc n LYS 90 N -3.67 0.00 -3.85 0.12 4.81 -1.26 -4.24 118.16 110.07 2dnc n LYS 90 Ca -0.23 0.62 -0.30 0.00 -0.87 0.00 0.00 58.31 57.53 2dnc n LYS 90 Cb 1.07 -1.37 -0.14 0.00 0.02 0.00 0.00 35.03 34.60 2dnc n LYS 90 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2dnc s HIS 91 N -2.49 2.67 0.89 5.64 5.04 -1.26 -5.10 115.29 120.68 2dnc s HIS 91 Ca 0.00 -2.76 -0.13 0.00 -1.54 0.00 0.00 55.06 50.63 2dnc s HIS 91 Cb 0.00 -2.39 0.05 0.00 0.04 0.00 0.00 32.58 30.28 2dnc s HIS 91 CO 0.00 -0.79 0.65 1.55 -2.34 0.00 0.00 174.74 173.81 2dnc n VAL 92 N 3.53 0.55 -3.63 0.89 3.14 -1.18 -4.93 118.33 116.69 2dnc n VAL 92 Ca 0.06 -0.20 -0.02 0.00 -2.96 0.00 0.00 64.34 61.22 2dnc n VAL 92 Cb 0.35 -0.77 -0.04 0.00 -1.06 0.00 0.00 33.84 32.31 2dnc n VAL 92 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2dnc s SER 93 N -2.04 -1.08 0.52 6.55 0.01 -1.26 -5.09 113.70 111.30 2dnc s SER 93 Ca 0.62 1.52 -0.11 0.00 1.31 0.00 0.00 55.95 59.29 2dnc s SER 93 Cb -0.25 2.12 -0.05 0.00 0.21 0.00 0.00 66.02 68.05 2dnc s SER 93 CO 0.62 -0.22 0.91 -0.83 0.41 0.00 0.00 173.24 174.14 2dnc s GLY 94 N 2.67 1.79 0.08 3.44 0.00 -1.26 -5.00 107.32 109.04 2dnc s GLY 94 Ca -0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 44.72 44.38 2dnc s GLY 94 CO -0.19 0.10 1.23 -0.56 0.00 0.00 0.00 173.10 173.67 2dnc h PRO 95 N 0.44 0.73 -4.71 2.90 0.13 -2.06 -3.40 132.00 126.02 2dnc h PRO 95 Ca -0.46 -0.72 -0.70 0.00 -0.87 0.00 0.00 66.00 63.25 2dnc h PRO 95 Cb 1.19 0.19 -0.20 0.00 0.13 0.00 0.00 31.00 32.31 2dnc h PRO 95 CO 0.62 1.30 -0.02 -1.54 -0.23 0.00 0.00 178.00 178.13 2dnc s SER 96 N -7.21 6.20 0.74 1.44 1.04 -1.26 -5.05 113.70 109.59 2dnc s SER 96 Ca -0.10 -1.19 -0.11 0.00 0.48 0.00 0.00 55.95 55.03 2dnc s SER 96 Cb 0.07 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.96 2dnc s SER 96 CO 0.91 -0.91 1.07 -0.44 0.98 0.00 0.00 173.24 174.86 2dnc s SER 97 N 3.00 5.01 0.00 7.02 0.01 -1.26 -5.23 113.70 122.25 2dnc s SER 97 Ca 0.11 1.50 0.23 0.00 1.31 0.00 0.00 55.95 59.11 2dnc s SER 97 Cb -0.22 -2.32 1.40 0.00 0.21 0.00 0.00 66.02 65.09 2dnc s SER 97 CO 0.09 -1.67 1.77 0.61 0.41 0.00 0.00 173.24 174.45