#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvd n ILE 7 N 0.00 0.00 0.00 2.02 3.06 -1.26 -5.12 119.36 118.06 1dvd n ILE 7 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1dvd n ILE 7 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1dvd n ILE 7 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1dvd n PRO 8 N 0.00 0.00 -0.19 9.51 -0.04 -1.26 -5.08 135.00 137.93 1dvd n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1dvd n PRO 8 Cb 0.00 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 1dvd n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dvd n GLY 9 N 2.68 -3.05 2.37 0.55 0.00 -1.26 -4.86 105.19 101.62 1dvd n GLY 9 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 1dvd n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dvd n GLY 10 N -1.36 5.46 3.27 -0.02 0.00 -1.26 -4.97 105.19 106.31 1dvd n GLY 10 Ca 0.00 -2.50 -0.59 0.00 0.00 0.00 0.00 46.02 42.93 1dvd n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dvd n LEU 11 N -0.52 1.02 -4.99 0.99 4.77 -1.26 -4.89 117.00 112.11 1dvd n LEU 11 Ca 0.36 1.04 -0.18 0.00 -0.03 0.00 0.00 56.01 57.20 1dvd n LEU 11 Cb 0.78 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1dvd n LEU 11 CO 0.33 -0.76 0.15 -0.55 -1.33 0.00 0.00 177.39 175.23 1dvd s SER 12 N 2.54 5.52 0.92 -1.43 0.15 -1.26 -5.05 113.70 115.08 1dvd s SER 12 Ca 0.91 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.94 1dvd s SER 12 Cb -1.30 -0.54 0.17 0.00 -1.71 0.00 0.00 66.02 62.63 1dvd s SER 12 CO 0.71 -0.81 0.37 1.21 1.20 0.00 0.00 173.24 175.92 1dvd n GLU 13 N -1.85 -1.07 -2.60 5.44 2.13 -1.26 -4.75 120.64 116.68 1dvd n GLU 13 Ca 0.08 -0.63 -0.41 0.00 0.66 0.00 0.00 57.16 56.86 1dvd n GLU 13 Cb 0.60 -1.33 -0.03 0.00 0.27 0.00 0.00 31.44 30.94 1dvd n GLU 13 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dvd s ALA 14 N -2.05 2.80 0.07 4.31 0.00 -1.26 -4.68 121.76 120.96 1dvd s ALA 14 Ca 0.29 -1.53 -0.31 0.00 0.00 0.00 0.00 51.96 50.42 1dvd s ALA 14 Cb -0.05 -4.23 -0.07 0.00 0.00 0.00 0.00 23.12 18.78 1dvd s ALA 14 CO 0.24 -3.25 1.36 0.15 0.00 0.00 0.00 175.76 174.27 1dvd s LYS 15 N 5.41 4.33 0.06 0.00 -0.14 -0.88 -4.73 119.74 123.79 1dvd s LYS 15 Ca 0.34 1.99 -0.31 0.00 -1.36 0.00 0.00 55.97 56.64 1dvd s LYS 15 Cb -0.08 -3.37 -0.07 0.00 -1.68 0.00 0.00 37.83 32.62 1dvd s LYS 15 CO 0.12 -0.45 1.51 -1.25 -0.76 0.00 0.00 175.35 174.52 1dvd s PRO 16 N 1.52 4.25 0.87 -1.68 0.04 -1.26 -0.36 135.00 138.39 1dvd s PRO 16 Ca 0.63 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 63.66 1dvd s PRO 16 Cb -0.34 -3.50 -0.14 0.00 0.04 0.00 0.00 34.50 30.56 1dvd s PRO 16 CO 0.29 -0.62 -0.87 0.00 0.04 0.00 0.00 177.00 175.85 1dvd n ALA 17 N 5.12 -5.12 -3.00 8.56 0.00 -0.38 -4.83 120.51 120.86 1dvd n ALA 17 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1dvd n ALA 17 Cb 0.42 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1dvd n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dvd n THR 18 N -2.39 0.00 0.25 0.00 -2.24 -1.26 -4.95 114.28 103.69 1dvd n THR 18 Ca -0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 1dvd n THR 18 Cb 0.53 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.26 1dvd n THR 18 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dvd h PRO 19 N 0.00 0.00 0.12 -0.78 0.13 -1.97 -1.26 132.00 128.24 1dvd h PRO 19 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1dvd h PRO 19 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1dvd h PRO 19 CO 0.00 0.07 -0.87 0.93 -0.23 0.00 0.00 178.00 177.90 1dvd h GLU 20 N 0.00 0.26 0.52 0.86 5.08 -1.97 -1.33 114.58 118.00 1dvd h GLU 20 Ca -0.00 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1dvd h GLU 20 Cb 0.70 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1dvd h GLU 20 CO 0.01 1.21 -0.31 0.82 -1.00 0.00 0.00 179.01 179.74 1dvd h ILE 21 N -0.42 0.36 -0.00 3.13 1.08 -1.90 0.27 117.51 120.02 1dvd h ILE 21 Ca -0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1dvd h ILE 21 Cb 1.61 0.36 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1dvd h ILE 21 CO 0.12 0.00 0.13 -0.61 -0.69 0.00 0.00 178.15 177.09 1dvd h GLN 22 N -0.79 0.00 -0.05 2.37 5.75 -1.34 0.38 115.11 121.43 1dvd h GLN 22 Ca -0.06 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.19 1dvd h GLN 22 Cb 0.64 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.21 1dvd h GLN 22 CO 0.07 0.00 -0.95 1.49 -2.65 0.00 0.00 178.83 176.79 1dvd h GLU 23 N 0.00 0.68 -0.03 1.69 4.81 0.68 0.12 114.58 122.52 1dvd h GLU 23 Ca 0.00 -0.67 -0.00 0.00 -0.13 0.00 0.00 59.36 58.56 1dvd h GLU 23 Cb 0.25 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1dvd h GLU 23 CO -0.00 1.27 0.01 0.82 -0.73 0.00 0.00 179.01 180.37 1dvd h ILE 24 N 0.41 1.15 -0.54 2.32 2.04 0.55 1.05 117.51 124.49 1dvd h ILE 24 Ca -0.10 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.20 1dvd h ILE 24 Cb 1.59 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1dvd h ILE 24 CO 0.18 0.12 -0.06 1.62 0.00 0.00 0.00 178.15 180.02 1dvd h VAL 25 N -0.14 1.27 0.00 1.67 3.04 -1.51 0.07 116.25 120.64 1dvd h VAL 25 Ca 0.01 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 1dvd h VAL 25 Cb 0.19 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1dvd h VAL 25 CO -0.00 0.43 0.00 -0.67 -1.01 0.00 0.00 177.57 176.32 1dvd n ASP 26 N -4.20 0.53 0.00 3.17 2.03 0.40 -0.89 116.55 117.59 1dvd n ASP 26 Ca 0.02 0.58 0.11 0.00 0.52 0.00 0.00 54.79 56.02 1dvd n ASP 26 Cb 0.37 -0.71 0.05 0.00 -0.72 0.00 0.00 41.12 40.11 1dvd n ASP 26 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1dvd n LYS 27 N -2.03 0.01 -0.00 -0.67 3.00 0.36 -4.23 118.16 114.59 1dvd n LYS 27 Ca 0.04 -0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.38 1dvd n LYS 27 Cb 0.32 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.81 1dvd n LYS 27 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1dvd n VAL 28 N -1.51 0.00 -0.33 3.15 0.24 -0.11 -4.64 118.33 115.13 1dvd n VAL 28 Ca 0.05 -0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1dvd n VAL 28 Cb 0.33 0.68 0.10 0.00 -1.47 0.00 0.00 33.84 33.49 1dvd n VAL 28 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1dvd n LYS 29 N -1.42 -0.11 0.00 7.34 4.81 -0.07 0.15 118.16 128.85 1dvd n LYS 29 Ca -0.00 1.40 -0.08 0.00 -0.87 0.00 0.00 58.31 58.75 1dvd n LYS 29 Cb 0.12 -2.08 0.08 0.00 0.02 0.00 0.00 35.03 33.17 1dvd n LYS 29 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1dvd h PRO 30 N 0.00 0.54 0.00 1.64 0.13 -1.87 -0.92 132.00 131.52 1dvd h PRO 30 Ca 0.40 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1dvd h PRO 30 Cb 0.62 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1dvd h PRO 30 CO -0.92 0.91 0.00 1.04 -0.23 0.00 0.00 178.00 178.81 1dvd n GLN 31 N -3.99 0.21 -0.09 0.86 6.02 0.39 -2.60 117.38 118.18 1dvd n GLN 31 Ca -0.02 0.13 -0.21 0.00 -0.01 0.00 0.00 57.00 56.89 1dvd n GLN 31 Cb 0.57 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.20 1dvd n GLN 31 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1dvd n LEU 32 N -1.32 2.68 0.00 1.08 4.77 0.25 -3.65 117.00 120.82 1dvd n LEU 32 Ca 0.08 0.05 0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1dvd n LEU 32 Cb 0.15 -0.96 0.22 0.00 -2.33 0.00 0.00 43.42 40.51 1dvd n LEU 32 CO 0.14 0.83 0.65 -0.62 -1.33 0.00 0.00 177.39 177.05 1dvd n GLU 33 N -3.53 0.03 -0.09 3.23 1.02 -0.46 -0.98 120.64 119.86 1dvd n GLU 33 Ca -0.43 0.30 -0.13 0.00 -0.02 0.00 0.00 57.16 56.88 1dvd n GLU 33 Cb 0.97 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.84 1dvd n GLU 33 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1dvd n GLU 34 N -1.45 0.52 -0.03 3.49 2.13 -1.08 -2.97 120.64 121.24 1dvd n GLU 34 Ca 0.03 0.41 -0.15 0.00 0.66 0.00 0.00 57.16 58.11 1dvd n GLU 34 Cb 0.11 -1.60 -0.12 0.00 0.27 0.00 0.00 31.44 30.10 1dvd n GLU 34 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1dvd h LYS 35 N -1.00 0.10 0.00 5.31 1.57 -1.62 -3.22 116.57 117.72 1dvd h LYS 35 Ca -0.18 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1dvd h LYS 35 Cb 0.98 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1dvd h LYS 35 CO -0.11 0.88 0.00 0.25 -0.57 0.00 0.00 179.45 179.89 1dvd n THR 36 N -4.58 0.59 -3.76 -0.16 -2.24 -0.16 -4.94 114.28 99.02 1dvd n THR 36 Ca -0.10 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 1dvd n THR 36 Cb 0.46 -0.62 0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1dvd n THR 36 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1dvd n ASN 37 N -2.23 -5.12 -3.41 3.42 6.94 -1.05 -4.96 115.26 108.86 1dvd n ASN 37 Ca 0.05 -0.97 -0.20 0.00 -0.02 0.00 0.00 54.58 53.44 1dvd n ASN 37 Cb 0.41 -2.50 -0.06 0.00 -2.36 0.00 0.00 39.78 35.28 1dvd n ASN 37 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1dvd n GLU 38 N -3.58 0.64 -0.06 -3.83 1.02 -1.25 -4.99 120.64 108.59 1dvd n GLU 38 Ca -0.17 -2.80 -0.03 0.00 -0.02 0.00 0.00 57.16 54.14 1dvd n GLU 38 Cb 0.61 1.54 -0.15 0.00 -0.02 0.00 0.00 31.44 33.42 1dvd n GLU 38 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1dvd n THR 39 N -0.74 0.97 0.00 2.62 -1.04 -1.26 -4.59 114.28 110.24 1dvd n THR 39 Ca -0.05 -0.74 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1dvd n THR 39 Cb 0.50 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1dvd n THR 39 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1dvd n TYR 40 N -2.63 -0.14 -3.04 -1.42 4.01 -1.26 -4.99 117.16 107.69 1dvd n TYR 40 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1dvd n TYR 40 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1dvd n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dvd n GLY 43 N 0.00 -1.23 3.52 2.72 0.00 -1.26 -5.02 105.19 103.92 1dvd n GLY 43 Ca 0.00 -0.81 -0.58 0.00 0.00 0.00 0.00 46.02 44.63 1dvd n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dvd n LYS 44 N 0.00 0.23 -3.61 1.61 3.00 -1.26 -4.61 118.16 113.52 1dvd n LYS 44 Ca 0.00 0.08 -0.38 0.00 -0.00 0.00 0.00 58.31 58.02 1dvd n LYS 44 Cb 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 35.03 33.35 1dvd n LYS 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1dvd s LEU 45 N 0.19 5.62 -1.00 3.14 1.43 -1.24 -1.71 118.68 125.11 1dvd s LEU 45 Ca 0.90 -3.48 -0.25 0.00 -1.03 0.00 0.00 54.13 50.27 1dvd s LEU 45 Cb -1.21 -1.94 -0.15 0.00 0.03 0.00 0.00 46.19 42.92 1dvd s LEU 45 CO 0.56 -0.25 2.13 -1.61 0.23 0.00 0.00 176.35 177.41 1dvd s GLU 46 N -0.99 1.76 -0.26 1.70 2.02 -0.53 -4.52 118.70 117.88 1dvd s GLU 46 Ca 0.25 -0.32 -0.42 0.00 0.02 0.00 0.00 54.97 54.50 1dvd s GLU 46 Cb -0.10 -4.99 -0.18 0.00 0.10 0.00 0.00 34.13 28.95 1dvd s GLU 46 CO -0.10 -4.61 1.51 0.00 0.02 0.00 0.00 175.26 172.08 1dvd n ALA 47 N 17.52 -1.36 -0.13 5.21 0.00 -1.26 -1.56 120.51 138.93 1dvd n ALA 47 Ca 0.43 0.49 -0.27 0.00 0.00 0.00 0.00 53.44 54.09 1dvd n ALA 47 Cb 0.46 -2.01 -0.11 0.00 0.00 0.00 0.00 19.45 17.79 1dvd n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvd n VAL 48 N 3.52 1.52 -4.13 0.00 0.31 -0.53 -4.43 118.33 114.60 1dvd n VAL 48 Ca 0.26 -0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1dvd n VAL 48 Cb 0.06 -1.78 -0.07 0.00 -0.91 0.00 0.00 33.84 31.13 1dvd n VAL 48 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1dvd s GLN 49 N -2.51 1.50 -0.28 5.55 -1.52 -1.08 -1.25 119.66 120.07 1dvd s GLN 49 Ca -0.38 -1.58 -0.22 0.00 -1.95 0.00 0.00 55.36 51.23 1dvd s GLN 49 Cb 0.13 0.37 0.12 0.00 -0.22 0.00 0.00 33.01 33.41 1dvd s GLN 49 CO 0.52 -0.57 0.96 1.52 -0.25 0.00 0.00 175.29 177.47 1dvd s TYR 50 N -3.83 -0.57 -0.10 0.91 1.13 0.52 -0.95 117.35 114.45 1dvd s TYR 50 Ca 0.32 1.31 0.01 0.00 -1.41 0.00 0.00 57.07 57.30 1dvd s TYR 50 Cb 0.03 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1dvd s TYR 50 CO 0.14 -0.28 -0.12 0.15 -2.51 0.00 0.00 175.55 172.94 1dvd s LYS 51 N 0.59 3.11 0.74 -3.49 3.01 0.13 -2.07 119.74 121.76 1dvd s LYS 51 Ca -0.01 -0.65 -0.13 0.00 -1.01 0.00 0.00 55.97 54.17 1dvd s LYS 51 Cb -0.05 -2.59 0.18 0.00 -1.01 0.00 0.00 37.83 34.36 1dvd s LYS 51 CO -0.08 0.38 0.88 0.25 0.51 0.00 0.00 175.35 177.28 1dvd n THR 52 N 3.06 0.00 -3.53 2.17 -2.24 -1.26 -0.02 114.28 112.45 1dvd n THR 52 Ca -0.18 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 1dvd n THR 52 Cb 0.53 -1.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.20 1dvd n THR 52 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1dvd s GLN 53 N -4.94 1.03 0.00 -0.78 -1.52 -1.23 -4.51 119.66 107.70 1dvd s GLN 53 Ca 0.52 0.31 0.08 0.00 -1.95 0.00 0.00 55.36 54.32 1dvd s GLN 53 Cb -0.02 0.49 -0.02 0.00 -0.22 0.00 0.00 33.01 33.23 1dvd s GLN 53 CO 0.37 -0.31 -0.26 0.54 -0.25 0.00 0.00 175.29 175.39 1dvd s VAL 54 N -1.07 2.03 0.00 1.09 0.11 -1.26 -2.08 120.40 119.23 1dvd s VAL 54 Ca -0.10 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 1dvd s VAL 54 Cb -0.00 -1.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.14 1dvd s VAL 54 CO 0.09 0.49 0.00 1.33 -3.33 0.00 0.00 175.10 173.68 1dvd n VAL 55 N 2.21 0.00 -1.24 2.04 0.24 -1.26 -4.48 118.33 115.84 1dvd n VAL 55 Ca -0.16 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.89 1dvd n VAL 55 Cb 0.52 0.00 0.17 0.00 -1.47 0.00 0.00 33.84 33.06 1dvd n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dvd n ALA 56 N -3.00 5.64 0.00 2.33 0.00 -1.26 -4.91 120.51 119.32 1dvd n ALA 56 Ca 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1dvd n ALA 56 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1dvd n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvd n GLY 57 N -1.14 -0.24 3.25 0.00 0.00 -1.26 -4.72 105.19 101.08 1dvd n GLY 57 Ca 0.60 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 1dvd n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dvd s THR 58 N 0.00 -0.75 0.00 2.61 2.01 -1.24 -4.56 115.64 113.72 1dvd s THR 58 Ca 0.00 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1dvd s THR 58 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1dvd s THR 58 CO 0.00 0.01 0.00 0.59 -0.69 0.00 0.00 174.62 174.53 1dvd n ASN 59 N 5.40 -0.14 -3.82 3.53 3.02 -0.88 -0.33 115.26 122.04 1dvd n ASN 59 Ca -0.07 -0.53 -0.11 0.00 -0.03 0.00 0.00 54.58 53.83 1dvd n ASN 59 Cb 0.50 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.58 1dvd n ASN 59 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1dvd s TYR 60 N -0.60 -0.01 -0.03 3.10 1.51 0.18 -3.57 117.35 117.93 1dvd s TYR 60 Ca 0.00 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1dvd s TYR 60 Cb 0.00 0.01 0.02 0.00 -0.11 0.00 0.00 41.96 41.88 1dvd s TYR 60 CO 0.00 -0.41 -0.02 0.71 -1.11 0.00 0.00 175.55 174.72 1dvd s TYR 61 N -2.14 0.40 -0.15 2.71 2.02 0.97 -2.00 117.35 119.16 1dvd s TYR 61 Ca -0.08 -0.05 -0.06 0.00 -0.37 0.00 0.00 57.07 56.50 1dvd s TYR 61 Cb -0.03 -0.41 0.07 0.00 -0.40 0.00 0.00 41.96 41.19 1dvd s TYR 61 CO -0.01 -0.11 0.33 0.42 -1.57 0.00 0.00 175.55 174.60 1dvd s ILE 62 N 0.72 -0.31 -0.74 2.71 1.01 -0.42 0.19 121.20 124.37 1dvd s ILE 62 Ca -0.08 0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 1dvd s ILE 62 Cb -0.11 -0.52 0.15 0.00 0.01 0.00 0.00 42.46 41.99 1dvd s ILE 62 CO -0.01 0.08 0.80 -1.59 0.00 0.00 0.00 174.94 174.22 1dvd s LYS 63 N 2.01 3.34 -0.02 2.79 -2.85 -0.13 -1.20 119.74 123.68 1dvd s LYS 63 Ca -0.04 -1.82 -0.04 0.00 -1.00 0.00 0.00 55.97 53.07 1dvd s LYS 63 Cb -0.11 -4.46 -0.04 0.00 -2.06 0.00 0.00 37.83 31.16 1dvd s LYS 63 CO -0.10 -1.49 0.20 0.14 0.10 0.00 0.00 175.35 174.19 1dvd s VAL 64 N 1.78 5.41 0.02 1.79 -7.23 -1.03 -1.45 120.40 119.70 1dvd s VAL 64 Ca 0.17 -0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 1dvd s VAL 64 Cb -0.16 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 1dvd s VAL 64 CO -0.02 0.38 1.46 -0.13 -0.31 0.00 0.00 175.10 176.47 1dvd s ARG 65 N -1.76 4.26 -0.25 4.82 1.81 -0.60 -0.51 118.95 126.72 1dvd s ARG 65 Ca 0.26 2.06 -0.03 0.00 -1.72 0.00 0.00 55.73 56.29 1dvd s ARG 65 Cb -0.13 -3.56 -0.00 0.00 -0.45 0.00 0.00 34.95 30.81 1dvd s ARG 65 CO 0.16 -0.60 2.75 0.00 -0.68 0.00 0.00 175.30 176.92 1dvd n ALA 66 N 5.34 5.85 0.00 2.13 0.00 0.51 -1.45 120.51 132.90 1dvd n ALA 66 Ca 0.14 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1dvd n ALA 66 Cb 0.43 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1dvd n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvd n GLY 67 N 1.27 2.29 0.00 0.00 0.00 -0.69 -4.52 105.19 103.54 1dvd n GLY 67 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1dvd n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dvd n ASP 68 N 5.42 -0.23 0.27 1.61 8.00 -1.26 -4.83 116.55 125.54 1dvd n ASP 68 Ca 0.00 -0.75 0.15 0.00 0.71 0.00 0.00 54.79 54.89 1dvd n ASP 68 Cb 0.00 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 41.88 1dvd n ASP 68 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1dvd h ASN 92 N -0.23 0.00 -2.91 -2.24 4.21 -2.00 -3.40 115.58 109.01 1dvd h ASN 92 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 1dvd h ASN 92 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1dvd h ASN 92 CO 0.00 0.00 0.82 -0.54 -1.29 0.00 0.00 177.43 176.42 1dvd s LYS 93 N -3.87 4.28 0.59 0.81 3.01 -1.26 -4.86 119.74 118.45 1dvd s LYS 93 Ca -0.03 2.06 0.06 0.00 -1.01 0.00 0.00 55.97 57.05 1dvd s LYS 93 Cb 0.08 -3.45 0.11 0.00 -1.01 0.00 0.00 37.83 33.56 1dvd s LYS 93 CO 0.26 -0.54 0.82 0.66 0.51 0.00 0.00 175.35 177.06 1dvd n TYR 94 N 4.86 -2.55 -3.38 3.18 4.02 -1.11 -0.36 117.16 121.81 1dvd n TYR 94 Ca 0.13 -1.88 -0.16 0.00 -0.01 0.00 0.00 57.90 55.98 1dvd n TYR 94 Cb 0.43 -0.58 -0.09 0.00 -0.02 0.00 0.00 39.34 39.08 1dvd n TYR 94 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1dvd s MET 95 N -4.64 0.34 0.45 -0.72 1.75 0.33 -3.78 119.30 113.03 1dvd s MET 95 Ca 0.59 -0.10 -0.23 0.00 -1.25 0.00 0.00 55.69 54.70 1dvd s MET 95 Cb -0.04 -0.60 -0.08 0.00 2.84 0.00 0.00 34.83 36.95 1dvd s MET 95 CO 0.38 -1.03 1.12 -1.01 -0.65 0.00 0.00 175.02 173.83 1dvd s HIS 96 N 2.38 2.97 -0.00 4.11 3.76 -0.80 -2.47 115.29 125.24 1dvd s HIS 96 Ca 0.09 1.57 0.01 0.00 -0.15 0.00 0.00 55.06 56.58 1dvd s HIS 96 Cb -0.14 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.28 1dvd s HIS 96 CO -0.32 -1.21 -0.02 -1.17 -0.85 0.00 0.00 174.74 171.17 1dvd s LEU 97 N -3.04 1.94 -0.43 0.89 2.96 -0.34 -1.84 118.68 118.83 1dvd s LEU 97 Ca 0.63 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 1dvd s LEU 97 Cb -0.25 -0.13 0.12 0.00 0.50 0.00 0.00 46.19 46.43 1dvd s LEU 97 CO 0.31 0.02 0.17 -0.75 -1.32 0.00 0.00 176.35 174.78 1dvd s LYS 98 N 0.02 1.57 0.38 1.98 2.20 -0.57 -1.30 119.74 124.02 1dvd s LYS 98 Ca 0.00 -2.12 0.04 0.00 -0.36 0.00 0.00 55.97 53.53 1dvd s LYS 98 Cb -0.02 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1dvd s LYS 98 CO -0.00 -1.05 0.54 0.08 -0.36 0.00 0.00 175.35 174.56 1dvd s VAL 99 N 0.40 4.12 -0.04 4.02 1.01 -0.85 0.72 120.40 129.79 1dvd s VAL 99 Ca 0.14 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1dvd s VAL 99 Cb -0.23 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1dvd s VAL 99 CO -0.05 -0.24 -0.24 0.12 0.00 0.00 0.00 175.10 174.69 1dvd s PHE 100 N -2.32 2.41 -0.15 5.22 5.36 -0.39 0.47 117.98 128.59 1dvd s PHE 100 Ca 0.46 -0.49 -0.08 0.00 -0.96 0.00 0.00 56.93 55.86 1dvd s PHE 100 Cb -0.10 -1.55 -0.04 0.00 -0.34 0.00 0.00 43.02 40.99 1dvd s PHE 100 CO 0.34 -0.07 0.12 0.21 -1.46 0.00 0.00 175.22 174.36 1dvd s LYS 101 N -0.48 3.72 -0.65 10.12 2.36 0.55 -2.32 119.74 133.03 1dvd s LYS 101 Ca 0.06 -0.19 -0.12 0.00 -2.55 0.00 0.00 55.97 53.17 1dvd s LYS 101 Cb -0.11 -3.25 0.17 0.00 -1.05 0.00 0.00 37.83 33.59 1dvd s LYS 101 CO 0.01 0.57 0.56 -1.54 1.55 0.00 0.00 175.35 176.50 1dvd s SER 102 N -0.43 6.17 0.27 1.43 1.04 -1.26 -3.63 113.70 117.29 1dvd s SER 102 Ca 0.12 -2.33 -0.07 0.00 0.48 0.00 0.00 55.95 54.14 1dvd s SER 102 Cb -0.12 -2.12 0.48 0.00 0.10 0.00 0.00 66.02 64.36 1dvd s SER 102 CO 0.02 -0.64 1.58 -0.07 0.98 0.00 0.00 173.24 175.10 1dvd h LEU 102 N 8.08 -0.77 -8.61 2.42 4.07 -1.95 -3.31 115.31 115.23 1dvd h LEU 102 Ca -0.08 0.27 -0.55 0.00 0.08 0.00 0.00 57.88 57.61 1dvd h LEU 102 Cb 1.05 0.55 -0.06 0.00 1.08 0.00 0.00 40.66 43.27 1dvd h LEU 102 CO 0.84 -0.31 1.05 -2.16 -1.08 0.00 0.00 178.44 176.78 1dvd s PRO 103 N -6.20 3.42 0.00 1.13 0.04 -1.26 -4.88 135.00 127.24 1dvd s PRO 103 Ca -0.14 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1dvd s PRO 103 Cb 0.26 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1dvd s PRO 103 CO 0.77 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 176.43 1dvd n GLY 104 N 5.16 3.87 0.00 0.56 0.00 -1.25 -5.10 105.19 108.42 1dvd n GLY 104 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1dvd n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dvd n GLN 105 N -0.81 0.00 -1.20 1.61 1.13 -1.26 -4.88 117.38 111.97 1dvd n GLN 105 Ca 0.00 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 1dvd n GLN 105 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1dvd n GLN 105 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1dvd n ASN 105 N 0.00 -3.67 -4.48 1.08 2.85 -1.26 -4.72 115.26 105.05 1dvd n ASN 105 Ca 0.00 0.61 -0.42 0.00 -0.11 0.00 0.00 54.58 54.66 1dvd n ASN 105 Cb 0.00 -0.82 0.01 0.00 1.24 0.00 0.00 39.78 40.21 1dvd n ASN 105 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1dvd n GLU 106 N 1.51 0.70 -2.69 1.20 0.00 -1.26 -4.91 120.64 115.19 1dvd n GLU 106 Ca 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 57.16 57.44 1dvd n GLU 106 Cb 0.46 -1.59 0.12 0.00 0.00 0.00 0.00 31.44 30.43 1dvd n GLU 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1dvd n ASP 107 N 1.15 -1.43 -3.08 -1.84 5.75 -1.26 -5.14 116.55 110.70 1dvd n ASP 107 Ca 0.11 -2.33 -0.16 0.00 -0.01 0.00 0.00 54.79 52.40 1dvd n ASP 107 Cb 0.39 0.74 0.14 0.00 -1.03 0.00 0.00 41.12 41.36 1dvd n ASP 107 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1dvd n LEU 108 N -1.07 0.00 -3.88 -2.12 4.32 -1.26 -4.65 117.00 108.34 1dvd n LEU 108 Ca -0.10 -0.60 -0.09 0.00 -0.02 0.00 0.00 56.01 55.20 1dvd n LEU 108 Cb 0.86 -0.54 -0.07 0.00 -1.62 0.00 0.00 43.42 42.05 1dvd n LEU 108 CO -0.10 -1.71 -0.04 0.54 -1.22 0.00 0.00 177.39 174.86 1dvd s VAL 109 N -2.00 0.10 -0.87 4.08 0.11 -0.98 -4.92 120.40 115.92 1dvd s VAL 109 Ca 0.38 -1.21 -0.14 0.00 -2.93 0.00 0.00 61.98 58.08 1dvd s VAL 109 Cb -0.04 -1.53 0.21 0.00 -1.53 0.00 0.00 36.38 33.49 1dvd s VAL 109 CO 0.29 -0.47 0.86 -0.22 -3.33 0.00 0.00 175.10 172.23 1dvd s LEU 110 N -2.90 6.42 0.08 2.54 2.96 -1.26 -1.26 118.68 125.26 1dvd s LEU 110 Ca 0.10 -2.65 0.27 0.00 -0.22 0.00 0.00 54.13 51.63 1dvd s LEU 110 Cb 0.04 -2.25 0.92 0.00 0.50 0.00 0.00 46.19 45.41 1dvd s LEU 110 CO -0.07 -0.64 1.76 0.35 -1.32 0.00 0.00 176.35 176.43 1dvd n THR 111 N 4.15 0.22 -3.65 3.68 -2.24 0.22 -4.94 114.28 111.73 1dvd n THR 111 Ca 0.17 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1dvd n THR 111 Cb 0.47 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1dvd n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dvd n GLY 112 N 1.42 0.84 0.00 3.38 0.00 0.14 -4.93 105.19 106.04 1dvd n GLY 112 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1dvd n GLY 112 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1dvd n TYR 113 N 0.00 0.00 -3.39 1.61 0.18 -1.26 -1.51 117.16 112.79 1dvd n TYR 113 Ca 0.00 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.34 1dvd n TYR 113 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1dvd n TYR 113 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1dvd s GLN 114 N -0.93 2.95 0.94 -3.48 -1.52 -0.77 -4.91 119.66 111.95 1dvd s GLN 114 Ca 0.00 -1.90 -0.11 0.00 -1.95 0.00 0.00 55.36 51.40 1dvd s GLN 114 Cb 0.00 -4.20 0.16 0.00 -0.22 0.00 0.00 33.01 28.74 1dvd s GLN 114 CO 0.00 -1.28 1.09 0.54 -0.25 0.00 0.00 175.29 175.39 1dvd s VAL 115 N 1.21 2.48 -0.35 1.09 0.11 -1.26 -1.91 120.40 121.76 1dvd s VAL 115 Ca 0.07 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1dvd s VAL 115 Cb -0.25 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1dvd s VAL 115 CO -0.00 -0.20 0.00 -0.67 -3.33 0.00 0.00 175.10 170.89 1dvd n ASP 115 N -4.11 -1.39 -4.77 3.54 2.03 -1.25 -4.86 116.55 105.75 1dvd n ASP 115 Ca 0.07 0.24 -0.33 0.00 0.52 0.00 0.00 54.79 55.29 1dvd n ASP 115 Cb 0.54 -1.46 0.05 0.00 -0.72 0.00 0.00 41.12 39.54 1dvd n ASP 115 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1dvd s LYS 116 N -3.59 2.73 0.28 -0.67 2.36 -1.09 -4.81 119.74 114.95 1dvd s LYS 116 Ca 0.00 1.39 0.03 0.00 -2.55 0.00 0.00 55.97 54.84 1dvd s LYS 116 Cb 0.00 -1.94 0.03 0.00 -1.05 0.00 0.00 37.83 34.87 1dvd s LYS 116 CO 0.00 -1.30 0.25 0.09 1.55 0.00 0.00 175.35 175.93 1dvd n ASN 117 N -2.51 1.72 -0.08 1.43 3.02 -1.26 -2.77 115.26 114.82 1dvd n ASN 117 Ca 0.10 -1.92 -0.12 0.00 -0.03 0.00 0.00 54.58 52.61 1dvd n ASN 117 Cb 0.52 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 1dvd n ASN 117 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1dvd h LYS 118 N 0.00 0.82 0.00 3.52 3.64 -1.96 -2.58 116.57 120.00 1dvd h LYS 118 Ca -0.17 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1dvd h LYS 118 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1dvd h LYS 118 CO 0.26 1.09 0.00 -3.47 -2.27 0.00 0.00 179.45 175.06 1dvd n ASP 119 N -4.03 0.00 -4.56 4.20 -0.08 -1.26 -4.41 116.55 106.41 1dvd n ASP 119 Ca -0.03 0.35 -0.35 0.00 -1.51 0.00 0.00 54.79 53.25 1dvd n ASP 119 Cb 0.57 -0.40 -0.04 0.00 2.34 0.00 0.00 41.12 43.58 1dvd n ASP 119 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1dvd s ASP 120 N -2.81 5.85 0.73 1.67 2.15 -0.98 -4.97 116.67 118.32 1dvd s ASP 120 Ca 0.06 -0.95 -0.14 0.00 0.43 0.00 0.00 52.55 51.95 1dvd s ASP 120 Cb 0.06 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.16 1dvd s ASP 120 CO 0.15 -2.09 1.17 -0.70 -0.17 0.00 0.00 175.17 173.53 1dvd s GLU 121 N 5.99 2.21 -0.94 4.34 2.12 -1.26 -4.86 118.70 126.30 1dvd s GLU 121 Ca 0.56 1.62 -0.05 0.00 0.36 0.00 0.00 54.97 57.47 1dvd s GLU 121 Cb -0.04 -1.86 0.09 0.00 0.26 0.00 0.00 34.13 32.58 1dvd s GLU 121 CO -0.02 -1.75 2.58 1.28 -0.54 0.00 0.00 175.26 176.80 1dvd n LEU 122 N -2.81 7.35 0.00 2.70 4.32 -1.26 -4.96 117.00 122.33 1dvd n LEU 122 Ca 0.12 -4.51 -0.02 0.00 -0.02 0.00 0.00 56.01 51.58 1dvd n LEU 122 Cb 0.51 -1.31 0.02 0.00 -1.62 0.00 0.00 43.42 41.02 1dvd n LEU 122 CO 0.48 1.92 0.03 1.07 -1.22 0.00 0.00 177.39 179.66 1dvd n THR 123 N 1.40 0.00 0.20 -5.08 5.66 -1.26 -4.47 114.28 110.73 1dvd n THR 123 Ca 0.57 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.60 1dvd n THR 123 Cb 0.39 -0.07 0.19 0.00 -1.55 0.00 0.00 70.33 69.29 1dvd n THR 123 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1dvd h GLY 124 N -0.81 0.00 0.06 1.09 0.00 -1.98 -3.51 103.07 97.93 1dvd h GLY 124 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1dvd h GLY 124 CO 0.02 0.00 0.00 0.33 0.00 0.00 0.00 176.54 176.89