#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 1.84 -1.27 1.61 7.64 -1.26 -5.10 113.62 117.08 2dnc n SER 2 Ca 0.00 0.55 0.16 0.00 1.01 0.00 0.00 58.87 60.59 2dnc n SER 2 Cb 0.00 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 62.24 2dnc n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dnc n SER 3 N -4.55 -7.05 0.00 6.43 2.88 -1.26 -5.08 113.62 104.99 2dnc n SER 3 Ca -0.15 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2dnc n SER 3 Cb 0.40 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 2dnc n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnc n GLY 4 N -4.07 0.57 3.55 0.46 0.00 -1.26 -5.08 105.19 99.36 2dnc n GLY 4 Ca -0.07 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2dnc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnc s SER 5 N 0.00 6.13 0.20 1.61 0.15 -1.26 -4.98 113.70 115.55 2dnc s SER 5 Ca 0.00 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.25 2dnc s SER 5 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2dnc s SER 5 CO 0.00 -1.85 -0.10 -0.55 1.20 0.00 0.00 173.24 171.94 2dnc s SER 6 N 4.11 4.18 1.14 5.45 0.15 -1.26 -5.13 113.70 122.33 2dnc s SER 6 Ca 0.38 -0.63 -0.10 0.00 0.70 0.00 0.00 55.95 56.29 2dnc s SER 6 Cb -0.08 -0.67 0.16 0.00 -1.71 0.00 0.00 66.02 63.72 2dnc s SER 6 CO 0.13 0.09 0.52 0.61 1.20 0.00 0.00 173.24 175.79 2dnc n GLY 7 N -0.08 -2.80 3.35 9.45 0.00 -1.26 -4.99 105.19 108.86 2dnc n GLY 7 Ca -0.10 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.91 4.48 -0.10 -0.61 1.01 0.04 -4.94 121.20 119.16 2dnc s ILE 8 Ca 0.35 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 2dnc s ILE 8 Cb -0.04 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2dnc s ILE 8 CO 0.27 -0.28 0.78 -1.59 0.00 0.00 0.00 174.94 174.12 2dnc s LYS 9 N 1.52 4.39 -0.54 2.79 -2.85 -1.26 0.13 119.74 123.92 2dnc s LYS 9 Ca 0.02 0.99 -0.21 0.00 -1.00 0.00 0.00 55.97 55.76 2dnc s LYS 9 Cb -0.20 -3.50 0.06 0.00 -2.06 0.00 0.00 37.83 32.12 2dnc s LYS 9 CO 0.06 -0.12 0.77 0.42 0.10 0.00 0.00 175.35 176.58 2dnc s ILE 10 N 1.41 4.66 -0.06 3.79 1.01 0.13 -4.96 121.20 127.17 2dnc s ILE 10 Ca 0.39 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 2dnc s ILE 10 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2dnc s ILE 10 CO 0.17 -0.98 0.16 -0.76 0.00 0.00 0.00 174.94 173.53 2dnc s LEU 11 N 3.21 4.38 -0.24 2.97 1.43 -1.26 -1.08 118.68 128.08 2dnc s LEU 11 Ca 0.21 0.40 -0.32 0.00 -1.03 0.00 0.00 54.13 53.39 2dnc s LEU 11 Cb -0.17 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2dnc s LEU 11 CO 0.14 0.33 2.14 0.80 0.23 0.00 0.00 176.35 180.00 2dnc n MET 12 N 1.43 1.66 -2.17 1.70 0.00 -0.93 -4.82 117.12 114.00 2dnc n MET 12 Ca -0.15 0.49 -0.33 0.00 -0.00 0.00 0.00 57.70 57.71 2dnc n MET 12 Cb 0.54 -2.81 -0.00 0.00 0.00 0.00 0.00 33.22 30.94 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 5.86 3.46 -1.40 2.12 0.04 -1.26 -2.79 135.00 141.04 2dnc s PRO 13 Ca 1.03 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 63.18 2dnc s PRO 13 Cb -0.61 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 2dnc s PRO 13 CO 0.44 -0.69 2.64 -1.13 0.04 0.00 0.00 177.00 178.30 2dnc n SER 14 N -1.80 7.10 -0.06 6.66 3.41 -1.26 -4.67 113.62 122.98 2dnc n SER 14 Ca 0.09 -2.54 -0.12 0.00 -0.26 0.00 0.00 58.87 56.04 2dnc n SER 14 Cb 0.53 -1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 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 7.87 -1.52-10.24 1.04 3.38 -1.96 -3.41 115.31 110.47 2dnc h LEU 15 Ca 0.73 0.21 -0.50 0.00 0.09 0.00 0.00 57.88 58.41 2dnc h LEU 15 Cb 0.30 0.63 0.07 0.00 0.09 0.00 0.00 40.66 41.74 2dnc h LEU 15 CO 1.72 -0.42 0.38 -0.55 0.09 0.00 0.00 178.44 179.66 2dnc s SER 16 N -4.96 5.82 0.36 -0.43 0.15 -1.26 -4.96 113.70 108.42 2dnc s SER 16 Ca -0.15 1.70 0.19 0.00 0.70 0.00 0.00 55.95 58.39 2dnc s SER 16 Cb 0.10 -2.52 0.52 0.00 -1.71 0.00 0.00 66.02 62.41 2dnc s SER 16 CO 0.64 -1.14 1.65 1.55 1.20 0.00 0.00 173.24 177.13 2dnc h PRO 17 N 0.14 0.00 -1.17 5.44 0.13 -2.02 -3.35 132.00 131.18 2dnc h PRO 17 Ca -0.46 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 2dnc h PRO 17 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 2dnc h PRO 17 CO 0.58 0.37 -0.98 0.25 -0.23 0.00 0.00 178.00 177.99 2dnc n THR 18 N -3.36 0.18 -4.24 1.56 -2.24 -1.26 -5.11 114.28 99.81 2dnc n THR 18 Ca 0.01 -3.31 -0.35 0.00 -2.27 0.00 0.00 64.05 58.13 2dnc n THR 18 Cb 0.57 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.85 3.35 -0.15 -0.78 0.00 -1.26 -4.99 119.30 113.62 2dnc s MET 19 Ca 0.31 -0.38 0.17 0.00 0.00 0.00 0.00 55.69 55.80 2dnc s MET 19 Cb 0.37 -2.94 -0.25 0.00 0.00 0.00 0.00 34.83 32.01 2dnc s MET 19 CO -0.04 0.55 0.25 0.39 0.00 0.00 0.00 175.02 176.17 2dnc n GLU 20 N 2.62 0.67 -3.49 4.11 1.02 -1.26 -4.89 120.64 119.43 2dnc n GLU 20 Ca -0.18 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.88 2dnc n GLU 20 Cb 0.53 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.59 1.19 0.00 3.49 -1.05 -1.26 -2.92 118.70 115.55 2dnc s GLU 21 Ca -0.08 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 2dnc s GLU 21 Cb 0.07 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 2dnc s GLU 21 CO 0.83 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.97 2dnc n GLY 22 N -0.08 6.50 3.09 -3.83 0.00 0.27 -4.65 105.19 106.49 2dnc n GLY 22 Ca -0.17 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.76 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 0.27 -0.97 -0.45 1.61 0.01 -1.23 0.18 114.94 114.36 2dnc s ASN 23 Ca 0.00 0.68 -0.27 0.00 -0.71 0.00 0.00 52.86 52.56 2dnc s ASN 23 Cb 0.00 1.89 -0.04 0.00 0.41 0.00 0.00 41.25 43.52 2dnc s ASN 23 CO 0.00 -0.27 2.02 -0.63 -1.51 0.00 0.00 177.10 176.71 2dnc s ILE 24 N 2.78 3.27 0.03 0.60 1.09 -0.92 -0.33 121.20 127.72 2dnc s ILE 24 Ca 0.18 0.21 -0.30 0.00 -1.10 0.00 0.00 60.65 59.65 2dnc s ILE 24 Cb -0.15 -3.52 -0.17 0.00 -1.06 0.00 0.00 42.46 37.56 2dnc s ILE 24 CO -0.20 -0.44 1.31 0.58 -0.10 0.00 0.00 174.94 176.08 2dnc h VAL 25 N 7.09 0.13 -2.14 2.92 2.07 0.16 -1.97 116.25 124.52 2dnc h VAL 25 Ca -0.29 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2dnc h VAL 25 Cb 1.20 0.16 -0.20 0.00 -1.52 0.00 0.00 31.29 30.93 2dnc h VAL 25 CO 1.12 0.01 0.10 -0.75 0.02 0.00 0.00 177.57 178.07 2dnc s LYS 26 N -5.19 0.91 -0.04 1.57 2.20 -1.24 -3.83 119.74 114.13 2dnc s LYS 26 Ca -0.16 0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 55.69 2dnc s LYS 26 Cb 0.02 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.74 2dnc s LYS 26 CO 0.51 -0.22 0.86 -1.58 -0.36 0.00 0.00 175.35 174.56 2dnc s TRP 27 N -0.54 3.60 -1.20 4.03 0.52 -1.26 -0.95 118.94 123.15 2dnc s TRP 27 Ca -0.06 1.48 0.27 0.00 0.02 0.00 0.00 56.10 57.81 2dnc s TRP 27 Cb -0.02 -2.99 0.92 0.00 -1.15 0.00 0.00 33.47 30.23 2dnc s TRP 27 CO 0.06 0.01 1.69 1.28 0.02 0.00 0.00 176.95 180.00 2dnc n LEU 28 N 3.99 0.37 -4.39 2.99 4.77 0.49 -4.85 117.00 120.37 2dnc n LEU 28 Ca 0.03 0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.95 2dnc n LEU 28 Cb 0.51 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2dnc n LEU 28 CO 0.50 0.08 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.73 2dnc s LYS 29 N -2.84 1.46 0.35 3.23 -0.14 -0.86 -4.95 119.74 115.99 2dnc s LYS 29 Ca 0.17 -1.72 0.09 0.00 -1.36 0.00 0.00 55.97 53.15 2dnc s LYS 29 Cb 0.19 -1.02 -0.07 0.00 -1.68 0.00 0.00 37.83 35.25 2dnc s LYS 29 CO 0.58 0.03 -0.07 0.15 -0.76 0.00 0.00 175.35 175.28 2dnc s LYS 30 N -3.74 1.86 -0.08 1.68 -0.14 -1.26 -5.05 119.74 113.01 2dnc s LYS 30 Ca 0.28 -1.94 -0.30 0.00 -1.36 0.00 0.00 55.97 52.65 2dnc s LYS 30 Cb 0.03 -1.72 -0.05 0.00 -1.68 0.00 0.00 37.83 34.42 2dnc s LYS 30 CO 0.10 0.12 1.59 -1.21 -0.76 0.00 0.00 175.35 175.19 2dnc s GLU 31 N -3.63 4.18 0.00 1.68 2.02 -1.26 -2.05 118.70 119.64 2dnc s GLU 31 Ca 0.33 2.09 0.00 0.00 0.02 0.00 0.00 54.97 57.41 2dnc s GLU 31 Cb 0.03 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.31 2dnc s GLU 31 CO 0.17 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 175.02 2dnc n GLY 32 N 4.06 1.98 3.72 -1.39 0.00 -0.14 -5.03 105.19 108.39 2dnc n GLY 32 Ca 0.17 0.00 -0.33 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 -0.07 1.99 0.77 1.61 2.02 -0.87 -4.59 118.70 119.56 2dnc s GLU 33 Ca 0.00 1.66 -0.12 0.00 0.02 0.00 0.00 54.97 56.54 2dnc s GLU 33 Cb 0.00 -1.83 0.05 0.00 0.10 0.00 0.00 34.13 32.46 2dnc s GLU 33 CO 0.00 -1.93 1.14 0.00 0.02 0.00 0.00 175.26 174.49 2dnc s ALA 34 N -2.18 2.72 -0.00 5.21 0.00 -1.26 -1.32 121.76 124.93 2dnc s ALA 34 Ca 0.72 -0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 2dnc s ALA 34 Cb -0.27 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2dnc s ALA 34 CO 0.48 -1.46 0.05 0.08 0.00 0.00 0.00 175.76 174.91 2dnc s VAL 35 N -3.46 0.06 -0.02 0.00 1.01 0.51 -4.76 120.40 113.74 2dnc s VAL 35 Ca 0.60 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2dnc s VAL 35 Cb -0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 2dnc s VAL 35 CO 0.51 -0.26 -0.10 -0.44 0.00 0.00 0.00 175.10 174.81 2dnc s SER 36 N -0.80 1.23 0.19 3.32 0.01 -1.26 -1.48 113.70 114.90 2dnc s SER 36 Ca -0.09 -0.19 -0.33 0.00 1.31 0.00 0.00 55.95 56.65 2dnc s SER 36 Cb -0.05 -0.23 -0.13 0.00 0.21 0.00 0.00 66.02 65.81 2dnc s SER 36 CO 0.00 0.10 1.62 0.00 0.41 0.00 0.00 173.24 175.37 2dnc n ALA 37 N 3.05 1.95 0.00 1.44 0.00 -1.21 -0.97 120.51 124.77 2dnc n ALA 37 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2dnc n ALA 37 Cb 0.55 -2.42 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 3.50 3.00 3.77 0.00 0.00 -0.73 -4.93 105.19 109.79 2dnc n GLY 38 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 0.97 5.66 0.25 1.61 1.11 -0.14 -4.55 116.67 121.58 2dnc s ASP 39 Ca 0.00 2.15 -0.30 0.00 0.18 0.00 0.00 52.55 54.58 2dnc s ASP 39 Cb 0.00 -2.58 -0.09 0.00 1.07 0.00 0.00 42.92 41.32 2dnc s ASP 39 CO 0.00 -1.26 1.10 0.00 1.18 0.00 0.00 175.17 176.19 2dnc s ALA 40 N -1.84 3.40 -0.20 5.23 0.00 -1.26 0.87 121.76 127.95 2dnc s ALA 40 Ca 0.72 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 2dnc s ALA 40 Cb -0.23 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2dnc s ALA 40 CO 0.28 -0.16 -0.29 1.28 0.00 0.00 0.00 175.76 176.87 2dnc n LEU 41 N 1.51 1.66 -3.86 0.00 4.77 0.48 -4.72 117.00 116.83 2dnc n LEU 41 Ca -0.00 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2dnc n LEU 41 Cb 0.45 -0.67 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2dnc n LEU 41 CO 0.54 0.22 0.45 0.00 -1.33 0.00 0.00 177.39 177.26 2dnc s GLU 43 N -2.96 3.07 0.06 0.00 2.02 -0.12 0.13 118.70 120.90 2dnc s GLU 43 Ca 0.16 -0.52 0.08 0.00 0.02 0.00 0.00 54.97 54.71 2dnc s GLU 43 Cb -0.05 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 2dnc s GLU 43 CO 0.11 0.54 -0.23 0.42 0.02 0.00 0.00 175.26 176.12 2dnc s ILE 44 N -0.46 1.83 0.05 -1.63 1.01 -0.41 0.18 121.20 121.77 2dnc s ILE 44 Ca 0.07 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.23 2dnc s ILE 44 Cb -0.12 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.69 2dnc s ILE 44 CO 0.02 0.20 0.48 -1.61 0.00 0.00 0.00 174.94 174.03 2dnc s GLU 45 N -1.36 4.02 0.03 2.79 2.02 0.56 -2.60 118.70 124.16 2dnc s GLU 45 Ca 0.09 0.52 -0.07 0.00 0.02 0.00 0.00 54.97 55.53 2dnc s GLU 45 Cb -0.09 -3.18 -0.00 0.00 0.10 0.00 0.00 34.13 30.95 2dnc s GLU 45 CO 0.02 0.64 0.13 0.95 0.02 0.00 0.00 175.26 177.03 2dnc s THR 46 N -1.15 0.11 0.35 3.63 -4.23 -1.05 -3.49 115.64 109.81 2dnc s THR 46 Ca 0.28 -0.95 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 2dnc s THR 46 Cb -0.17 -0.80 0.31 0.00 1.34 0.00 0.00 72.50 73.18 2dnc s THR 46 CO 0.16 -0.52 1.89 -0.78 -0.54 0.00 0.00 174.62 174.83 2dnc h ASP 47 N 3.74 0.69 0.50 3.99 3.58 -1.97 -2.55 116.42 124.40 2dnc h ASP 47 Ca -0.32 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.13 2dnc h ASP 47 Cb 1.19 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2dnc h ASP 47 CO 0.48 0.39 -0.24 0.50 -2.88 0.00 0.00 179.24 177.48 2dnc h LYS 48 N 0.75 -0.65 0.00 0.28 3.64 -2.00 -3.49 116.57 115.11 2dnc h LYS 48 Ca 0.41 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 2dnc h LYS 48 Cb 0.56 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2dnc h LYS 48 CO -0.18 -0.43 0.00 0.00 -2.27 0.00 0.00 179.45 176.57 2dnc n ALA 49 N -2.35 0.00 -2.73 5.00 0.00 -0.96 -5.10 120.51 114.37 2dnc n ALA 49 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2dnc n ALA 49 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.37 4.30 0.16 0.00 0.11 -1.26 -2.52 120.40 118.82 2dnc s VAL 50 Ca 0.00 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 2dnc s VAL 50 Cb 0.00 -4.63 -0.04 0.00 -1.53 0.00 0.00 36.38 30.18 2dnc s VAL 50 CO 0.00 -1.33 0.20 0.68 -3.33 0.00 0.00 175.10 171.33 2dnc s VAL 51 N 4.15 4.86 -0.07 2.04 -7.23 -1.07 -5.00 120.40 118.09 2dnc s VAL 51 Ca 0.27 -0.91 -0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2dnc s VAL 51 Cb -0.14 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2dnc s VAL 51 CO 0.15 -0.10 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.92 2dnc s THR 52 N -1.75 4.04 -0.16 5.32 2.01 -1.26 -1.29 115.64 122.55 2dnc s THR 52 Ca 0.33 -0.39 -0.25 0.00 0.31 0.00 0.00 61.69 61.68 2dnc s THR 52 Cb -0.10 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 2dnc s THR 52 CO 0.26 0.57 0.81 -0.22 -0.69 0.00 0.00 174.62 175.35 2dnc s LEU 53 N -0.95 4.19 -0.00 4.42 0.20 0.36 -4.92 118.68 121.97 2dnc s LEU 53 Ca 0.14 1.16 -0.01 0.00 0.69 0.00 0.00 54.13 56.10 2dnc s LEU 53 Cb -0.11 -3.20 -0.04 0.00 -0.43 0.00 0.00 46.19 42.41 2dnc s LEU 53 CO 0.03 -0.36 0.12 1.51 -0.29 0.00 0.00 176.35 177.35 2dnc s ASP 54 N 1.13 5.93 0.59 3.68 1.47 -1.26 0.18 116.67 128.39 2dnc s ASP 54 Ca 0.38 0.21 -0.19 0.00 1.18 0.00 0.00 52.55 54.13 2dnc s ASP 54 Cb -0.17 -1.76 -0.03 0.00 -0.34 0.00 0.00 42.92 40.62 2dnc s ASP 54 CO 0.13 0.26 1.23 0.00 0.68 0.00 0.00 175.17 177.47 2dnc s ALA 55 N -1.25 2.54 -0.13 2.11 0.00 0.25 -4.82 121.76 120.47 2dnc s ALA 55 Ca 0.25 1.05 0.18 0.00 0.00 0.00 0.00 51.96 53.44 2dnc s ALA 55 Cb -0.12 -3.47 -0.27 0.00 0.00 0.00 0.00 23.12 19.25 2dnc s ALA 55 CO 0.16 -1.22 0.45 0.43 0.00 0.00 0.00 175.76 175.58 2dnc n SER 56 N -1.58 0.81 -3.98 0.00 7.64 -1.26 -1.78 113.62 113.48 2dnc n SER 56 Ca 0.14 -0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 2dnc n SER 56 Cb 0.49 1.73 -0.05 0.00 -1.01 0.00 0.00 64.21 65.37 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 -3.93 -0.10 -0.24 6.43 1.01 -1.26 -4.82 116.67 113.75 2dnc s ASP 57 Ca -0.05 -0.89 -0.12 0.00 0.71 0.00 0.00 52.55 52.19 2dnc s ASP 57 Cb 0.12 0.59 -0.05 0.00 1.01 0.00 0.00 42.92 44.59 2dnc s ASP 57 CO 0.76 -1.13 0.23 -1.81 0.21 0.00 0.00 175.17 173.43 2dnc s ASP 58 N -3.01 6.18 0.00 0.27 1.11 -1.26 -3.36 116.67 116.61 2dnc s ASP 58 Ca 0.21 0.20 -0.00 0.00 0.18 0.00 0.00 52.55 53.14 2dnc s ASP 58 Cb -0.01 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.84 2dnc s ASP 58 CO 0.08 -0.00 0.00 0.61 1.18 0.00 0.00 175.17 177.04 2dnc n GLY 59 N 4.35 1.25 3.48 0.21 0.00 -0.55 -4.55 105.19 109.38 2dnc n GLY 59 Ca -0.13 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.53 3.65 -0.77 -0.61 -1.09 0.35 0.19 121.20 120.39 2dnc s ILE 60 Ca 0.00 -0.45 -0.26 0.00 -2.23 0.00 0.00 60.65 57.71 2dnc s ILE 60 Cb -0.00 -2.57 -0.10 0.00 -1.58 0.00 0.00 42.46 38.21 2dnc s ILE 60 CO 0.00 0.51 2.26 -0.22 -1.23 0.00 0.00 174.94 176.26 2dnc s LEU 61 N 0.21 3.03 0.02 2.97 0.20 -0.43 -2.04 118.68 122.64 2dnc s LEU 61 Ca -0.04 -0.00 -0.11 0.00 0.69 0.00 0.00 54.13 54.67 2dnc s LEU 61 Cb -0.14 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 43.02 2dnc s LEU 61 CO 0.04 -3.38 1.17 0.00 -0.29 0.00 0.00 176.35 173.88 2dnc h ALA 62 N 13.28 -0.92 -2.91 5.97 0.00 -1.56 -0.35 119.26 132.77 2dnc h ALA 62 Ca -0.02 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2dnc h ALA 62 Cb 1.04 0.35 -0.24 0.00 0.00 0.00 0.00 17.79 18.94 2dnc h ALA 62 CO 1.09 -0.93 -0.34 0.21 0.00 0.00 0.00 179.25 179.28 2dnc s LYS 63 N -3.87 0.41 -1.04 0.00 2.36 -1.23 -4.48 119.74 111.88 2dnc s LYS 63 Ca -0.06 0.33 -0.15 0.00 -2.55 0.00 0.00 55.97 53.54 2dnc s LYS 63 Cb 0.01 0.19 0.17 0.00 -1.05 0.00 0.00 37.83 37.16 2dnc s LYS 63 CO 0.18 -0.06 1.20 0.42 1.55 0.00 0.00 175.35 178.64 2dnc s ILE 64 N -0.07 5.10 0.16 5.43 1.01 -1.26 -1.92 121.20 129.65 2dnc s ILE 64 Ca -0.02 -2.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.02 2dnc s ILE 64 Cb -0.03 -4.77 -0.06 0.00 0.01 0.00 0.00 42.46 37.62 2dnc s ILE 64 CO 0.01 -1.45 1.49 0.52 0.00 0.00 0.00 174.94 175.50 2dnc n VAL 65 N 4.64 -0.65 -3.69 2.92 0.31 0.93 -3.61 118.33 119.19 2dnc n VAL 65 Ca 0.28 2.34 -0.39 0.00 -0.01 0.00 0.00 64.34 66.55 2dnc n VAL 65 Cb 0.45 -2.89 -0.12 0.00 -0.91 0.00 0.00 33.84 30.37 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 -5.50 4.13 0.79 2.52 1.01 0.11 -4.97 120.40 118.49 2dnc s VAL 66 Ca -0.12 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 2dnc s VAL 66 Cb 0.11 -3.31 0.19 0.00 0.00 0.00 0.00 36.38 33.37 2dnc s VAL 66 CO 0.60 -0.18 1.02 -0.62 0.00 0.00 0.00 175.10 175.93 2dnc n GLU 67 N 4.89 -1.23 -1.66 2.72 4.71 -1.24 -4.81 120.64 124.02 2dnc n GLU 67 Ca -0.12 -1.59 -0.31 0.00 -0.01 0.00 0.00 57.16 55.13 2dnc n GLU 67 Cb 0.45 -1.10 0.04 0.00 -1.01 0.00 0.00 31.44 29.82 2dnc n GLU 67 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2dnc s GLU 68 N -5.25 3.12 0.00 3.49 1.03 -1.26 -3.81 118.70 116.03 2dnc s GLU 68 Ca 0.59 0.88 0.00 0.00 0.03 0.00 0.00 54.97 56.47 2dnc s GLU 68 Cb -0.02 -2.02 0.00 0.00 -0.80 0.00 0.00 34.13 31.29 2dnc s GLU 68 CO 0.42 -0.95 0.00 0.41 -1.33 0.00 0.00 175.26 173.81 2dnc n GLY 69 N -2.23 0.94 3.67 -3.83 0.00 -0.74 -5.03 105.19 97.97 2dnc n GLY 69 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.96 6.67 0.46 1.61 0.01 -1.25 -5.01 113.70 113.23 2dnc s SER 70 Ca 0.00 0.81 0.08 0.00 1.31 0.00 0.00 55.95 58.15 2dnc s SER 70 Cb 0.00 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.92 2dnc s SER 70 CO 0.00 -0.20 0.55 -0.54 0.41 0.00 0.00 173.24 173.46 2dnc s LYS 71 N 1.59 2.58 -0.39 12.44 -0.14 -1.26 -2.17 119.74 132.39 2dnc s LYS 71 Ca 0.28 -1.48 -0.23 0.00 -1.36 0.00 0.00 55.97 53.17 2dnc s LYS 71 Cb -0.16 -2.57 0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2dnc s LYS 71 CO 0.11 -0.41 0.52 0.09 -0.76 0.00 0.00 175.35 174.89 2dnc n ASN 72 N -1.85 -6.82 -3.99 2.83 3.02 -0.73 -4.91 115.26 102.82 2dnc n ASN 72 Ca 0.08 0.32 -0.32 0.00 -0.03 0.00 0.00 54.58 54.63 2dnc n ASN 72 Cb 0.61 -3.48 -0.12 0.00 -0.61 0.00 0.00 39.78 36.17 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 -1.90 2.99 1.12 2.41 -1.09 0.48 -4.81 121.20 120.41 2dnc s ILE 73 Ca 0.26 -3.36 -0.19 0.00 -2.23 0.00 0.00 60.65 55.14 2dnc s ILE 73 Cb -0.04 -3.01 0.10 0.00 -1.58 0.00 0.00 42.46 37.92 2dnc s ILE 73 CO 0.75 -0.85 -0.03 0.54 -1.23 0.00 0.00 174.94 174.11 2dnc n ARG 74 N 3.05 -1.57 -1.81 2.79 1.74 -1.26 0.93 116.66 120.54 2dnc n ARG 74 Ca 0.08 -0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 56.41 2dnc n ARG 74 Cb 0.34 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.08 3.00 -1.54 0.55 1.43 -1.15 -3.87 118.68 116.02 2dnc s LEU 75 Ca 0.56 1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 54.90 2dnc s LEU 75 Cb -0.11 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.96 2dnc s LEU 75 CO 0.66 -1.27 0.61 0.61 0.23 0.00 0.00 176.35 177.19 2dnc n GLY 76 N -2.71 -0.52 3.34 -3.19 0.00 -1.12 -4.86 105.19 96.13 2dnc n GLY 76 Ca 0.07 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.72 4.34 -0.04 1.61 0.01 -1.25 -4.80 113.70 110.86 2dnc s SER 77 Ca 0.32 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 2dnc s SER 77 Cb -0.14 -1.73 -0.07 0.00 0.21 0.00 0.00 66.02 64.29 2dnc s SER 77 CO 0.39 0.02 1.80 -0.76 0.41 0.00 0.00 173.24 175.11 2dnc s LEU 78 N 1.22 4.30 -0.11 2.44 1.43 -1.26 -2.19 118.68 124.51 2dnc s LEU 78 Ca 0.03 2.35 0.12 0.00 -1.03 0.00 0.00 54.13 55.60 2dnc s LEU 78 Cb -0.14 -3.53 -0.17 0.00 0.03 0.00 0.00 46.19 42.38 2dnc s LEU 78 CO -0.01 -1.05 0.09 2.30 0.23 0.00 0.00 176.35 177.91 2dnc n ILE 79 N 5.67 0.72 -3.52 -0.59 -5.35 -0.24 -4.20 119.36 111.86 2dnc n ILE 79 Ca 0.19 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 62.05 2dnc n ILE 79 Cb 0.42 -0.51 -0.04 0.00 -1.74 0.00 0.00 39.64 37.77 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 -4.40 -0.45 -0.12 3.28 0.00 -1.24 0.08 107.32 104.47 2dnc s GLY 80 Ca -0.06 1.36 0.02 0.00 0.00 0.00 0.00 44.72 46.03 2dnc s GLY 80 CO 0.53 0.71 -0.18 -2.27 0.00 0.00 0.00 173.10 171.89 2dnc s LEU 81 N -1.72 2.46 0.11 0.66 1.98 -0.81 0.18 118.68 121.54 2dnc s LEU 81 Ca -0.02 -0.42 -0.01 0.00 -2.89 0.00 0.00 54.13 50.79 2dnc s LEU 81 Cb -0.01 -1.53 -0.04 0.00 0.66 0.00 0.00 46.19 45.27 2dnc s LEU 81 CO -0.01 0.17 0.28 -0.63 -1.89 0.00 0.00 176.35 174.26 2dnc s ILE 82 N 0.33 5.31 -0.01 6.68 1.01 0.36 -1.57 121.20 133.31 2dnc s ILE 82 Ca -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2dnc s ILE 82 Cb -0.17 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2dnc s ILE 82 CO 0.07 0.05 0.01 0.68 0.00 0.00 0.00 174.94 175.74 2dnc s VAL 83 N -1.62 0.03 -0.38 2.92 -7.23 -0.87 -0.78 120.40 112.47 2dnc s VAL 83 Ca 0.37 0.07 -0.43 0.00 -1.81 0.00 0.00 61.98 60.17 2dnc s VAL 83 Cb -0.12 -0.09 -0.19 0.00 0.56 0.00 0.00 36.38 36.54 2dnc s VAL 83 CO 0.27 0.05 1.41 -0.62 -0.31 0.00 0.00 175.10 175.91 2dnc n GLU 84 N 3.56 0.00 -1.41 4.82 1.02 -1.26 -0.49 120.64 126.88 2dnc n GLU 84 Ca -0.19 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.58 2dnc n GLU 84 Cb 0.55 -1.42 -0.15 0.00 -0.02 0.00 0.00 31.44 30.41 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 3.30 0.00 -0.17 3.49 1.02 -1.26 -1.17 120.64 125.84 2dnc n GLU 85 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2dnc n GLU 85 Cb -0.03 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 6.02 0.76 2.31 0.62 0.00 -1.26 -5.01 105.19 108.64 2dnc n GLY 86 Ca 0.62 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.14 0.85 -3.39 1.61 1.02 -0.32 -5.02 120.64 115.25 2dnc n GLU 87 Ca 0.00 -2.98 -0.25 0.00 -0.02 0.00 0.00 57.16 53.91 2dnc n GLU 87 Cb 0.05 -1.41 0.03 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.90 -5.89 -0.04 1.62 -0.08 -1.26 -4.82 116.55 106.97 2dnc n ASP 88 Ca 0.20 0.05 -0.22 0.00 -1.51 0.00 0.00 54.79 53.31 2dnc n ASP 88 Cb 0.61 -1.64 -0.13 0.00 2.34 0.00 0.00 41.12 42.29 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 2.63 0.28 -4.11 -0.67 5.08 -1.94 -3.47 115.95 113.75 2dnc h TRP 89 Ca -0.36 -0.20 -0.54 0.00 1.08 0.00 0.00 58.89 58.87 2dnc h TRP 89 Cb 1.26 -0.01 0.13 0.00 -3.00 0.00 0.00 29.16 27.53 2dnc h TRP 89 CO 0.00 1.66 0.47 0.15 -1.28 0.00 0.00 178.44 179.44 2dnc s LYS 90 N -2.47 2.79 0.05 0.12 -0.14 -1.26 -4.66 119.74 114.17 2dnc s LYS 90 Ca -0.25 1.87 -0.02 0.00 -1.36 0.00 0.00 55.97 56.21 2dnc s LYS 90 Cb 0.06 -1.90 -0.01 0.00 -1.68 0.00 0.00 37.83 34.31 2dnc s LYS 90 CO 0.69 -1.36 -0.04 0.72 -0.76 0.00 0.00 175.35 174.60 2dnc n HIS 91 N -1.79 0.00 -0.15 3.18 8.25 -1.26 -4.81 115.22 118.63 2dnc n HIS 91 Ca 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2dnc n HIS 91 Cb 0.49 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 2dnc n HIS 91 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2dnc h VAL 92 N -0.11 0.00 -3.88 1.59 2.07 -2.01 -3.41 116.25 110.51 2dnc h VAL 92 Ca -0.01 0.00 -0.46 0.00 0.82 0.00 0.00 66.70 67.04 2dnc h VAL 92 Cb 0.26 0.00 0.08 0.00 -1.52 0.00 0.00 31.29 30.10 2dnc h VAL 92 CO -0.01 0.00 0.25 -0.55 0.02 0.00 0.00 177.57 177.28 2dnc s SER 93 N -4.21 4.96 0.00 0.57 0.15 -1.26 -5.05 113.70 108.87 2dnc s SER 93 Ca -0.07 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2dnc s SER 93 Cb 0.05 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2dnc s SER 93 CO 0.35 -1.52 0.00 0.61 1.20 0.00 0.00 173.24 173.88 2dnc n GLY 94 N -2.91 2.68 3.77 9.45 0.00 -1.26 -4.85 105.19 112.07 2dnc n GLY 94 Ca 0.07 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 2dnc n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnc s PRO 95 N -1.79 4.34 -0.36 1.61 0.04 -1.26 -5.02 135.00 132.57 2dnc s PRO 95 Ca 0.00 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.66 2dnc s PRO 95 Cb 0.00 -2.78 0.19 0.00 0.04 0.00 0.00 34.50 31.95 2dnc s PRO 95 CO 0.00 -0.01 0.78 -1.12 0.04 0.00 0.00 177.00 176.69 2dnc s SER 96 N -1.32 -1.12 0.05 6.66 0.01 -1.26 -5.16 113.70 111.56 2dnc s SER 96 Ca 0.53 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.43 2dnc s SER 96 Cb -0.26 1.50 -0.03 0.00 0.21 0.00 0.00 66.02 67.45 2dnc s SER 96 CO 0.32 -0.15 -0.05 -0.44 0.41 0.00 0.00 173.24 173.33 2dnc s SER 97 N 2.17 0.68 0.00 2.44 0.01 -1.26 -5.31 113.70 112.42 2dnc s SER 97 Ca 0.16 -0.76 0.26 0.00 1.31 0.00 0.00 55.95 56.91 2dnc s SER 97 Cb -0.03 0.11 0.55 0.00 0.21 0.00 0.00 66.02 66.85 2dnc s SER 97 CO -0.14 -0.39 1.46 0.61 0.41 0.00 0.00 173.24 175.19