#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvd s ILE 7 N 0.00 -0.18 -0.04 1.12 -4.36 -1.26 -5.02 121.20 111.47 1dvd s ILE 7 Ca 0.00 -1.55 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1dvd s ILE 7 Cb 0.00 -0.79 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 1dvd s ILE 7 CO 0.00 -0.74 0.09 1.55 0.24 0.00 0.00 174.94 176.08 1dvd h PRO 8 N 6.38 -0.05 0.00 0.37 0.13 -2.04 -3.51 132.00 133.28 1dvd h PRO 8 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1dvd h PRO 8 Cb 1.01 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dvd h PRO 8 CO 0.23 -0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.38 1dvd n GLY 9 N 1.66 4.43 0.00 1.56 0.00 -1.26 -5.05 105.19 106.53 1dvd n GLY 9 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.97 -0.40 3.53 -0.02 0.00 -1.26 -4.86 105.19 101.21 1dvd n GLY 10 Ca 0.00 -1.27 -0.64 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.30 1.06 -4.99 0.99 4.32 -1.26 -4.92 117.00 111.90 1dvd n LEU 11 Ca 0.00 0.96 -0.18 0.00 -0.02 0.00 0.00 56.01 56.76 1dvd n LEU 11 Cb 0.00 -0.90 0.01 0.00 -1.62 0.00 0.00 43.42 40.91 1dvd n LEU 11 CO 0.00 -0.80 0.14 -0.55 -1.22 0.00 0.00 177.39 174.97 1dvd s SER 12 N 4.37 5.45 1.02 -1.43 0.15 -1.26 -5.06 113.70 116.95 1dvd s SER 12 Ca 1.11 -0.55 -0.22 0.00 0.70 0.00 0.00 55.95 56.99 1dvd s SER 12 Cb -1.48 -0.50 -0.11 0.00 -1.71 0.00 0.00 66.02 62.22 1dvd s SER 12 CO 0.74 -0.82 -0.92 1.21 1.20 0.00 0.00 173.24 174.66 1dvd n GLU 13 N -1.84 -0.36 -2.13 5.44 0.00 -1.26 -4.67 120.64 115.82 1dvd n GLU 13 Ca 0.08 -0.10 -0.40 0.00 0.00 0.00 0.00 57.16 56.74 1dvd n GLU 13 Cb 0.60 -1.22 -0.03 0.00 0.00 0.00 0.00 31.44 30.80 1dvd n GLU 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dvd s ALA 14 N -2.08 2.47 0.13 4.31 0.00 -1.26 -4.80 121.76 120.52 1dvd s ALA 14 Ca 0.43 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 1dvd s ALA 14 Cb -0.03 -4.20 -0.07 0.00 0.00 0.00 0.00 23.12 18.82 1dvd s ALA 14 CO 0.70 -3.42 1.20 0.15 0.00 0.00 0.00 175.76 174.40 1dvd s LYS 15 N 6.39 4.46 0.11 0.00 -0.14 -0.85 -4.72 119.74 124.99 1dvd s LYS 15 Ca 0.65 1.83 -0.31 0.00 -1.36 0.00 0.00 55.97 56.79 1dvd s LYS 15 Cb -0.14 -3.29 -0.09 0.00 -1.68 0.00 0.00 37.83 32.64 1dvd s LYS 15 CO 0.24 -0.17 1.57 -1.25 -0.76 0.00 0.00 175.35 174.98 1dvd s PRO 16 N 0.39 4.22 0.12 -1.68 0.04 -1.26 -0.12 135.00 136.71 1dvd s PRO 16 Ca 0.56 2.29 -0.35 0.00 0.04 0.00 0.00 61.00 63.54 1dvd s PRO 16 Cb -0.31 -3.37 -0.17 0.00 0.04 0.00 0.00 34.50 30.69 1dvd s PRO 16 CO 0.33 -0.64 1.21 0.00 0.04 0.00 0.00 177.00 177.94 1dvd n ALA 17 N 4.72 -1.20 -3.16 8.56 0.00 -0.79 -4.77 120.51 123.87 1dvd n ALA 17 Ca 0.14 0.50 -0.07 0.00 0.00 0.00 0.00 53.44 54.01 1dvd n ALA 17 Cb 0.40 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.85 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 1.88 0.00 0.32 0.00 -2.24 -1.26 -4.84 114.28 108.14 1dvd n THR 18 Ca 0.17 -0.54 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1dvd n THR 18 Cb 0.21 -0.74 0.67 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.16 -0.78 0.13 -1.98 -1.64 132.00 127.88 1dvd h PRO 19 Ca -0.08 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.75 1dvd h PRO 19 Cb 0.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.48 1dvd h PRO 19 CO 0.12 0.00 -1.43 0.93 -0.23 0.00 0.00 178.00 177.39 1dvd h GLU 20 N 0.00 0.33 -0.21 0.86 4.39 -1.98 -1.73 114.58 116.25 1dvd h GLU 20 Ca 0.00 -0.57 -0.07 0.00 0.34 0.00 0.00 59.36 59.07 1dvd h GLU 20 Cb 0.36 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1dvd h GLU 20 CO 0.00 1.24 -0.13 0.82 -1.16 0.00 0.00 179.01 179.78 1dvd h ILE 21 N 0.09 1.31 0.00 3.13 5.03 -1.75 -1.38 117.51 123.94 1dvd h ILE 21 Ca -0.21 -1.23 0.00 0.00 -0.12 0.00 0.00 64.86 63.30 1dvd h ILE 21 Cb 2.04 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 37.50 1dvd h ILE 21 CO 0.20 0.38 0.00 -0.61 -0.68 0.00 0.00 178.15 177.44 1dvd h GLN 22 N 0.16 0.00 -0.00 2.37 5.75 -1.40 -1.22 115.11 120.76 1dvd h GLN 22 Ca 0.04 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.37 1dvd h GLN 22 Cb 0.64 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1dvd h GLN 22 CO 0.04 0.00 -0.79 1.49 -2.65 0.00 0.00 178.83 176.91 1dvd h GLU 23 N 0.00 0.02 0.08 1.69 4.57 -0.32 -0.60 114.58 120.03 1dvd h GLU 23 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1dvd h GLU 23 Cb 0.32 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1dvd h GLU 23 CO 0.00 0.80 -0.04 0.82 -1.18 0.00 0.00 179.01 179.41 1dvd h ILE 24 N 0.01 1.17 -0.71 2.32 2.04 -0.41 0.80 117.51 122.73 1dvd h ILE 24 Ca -0.01 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1dvd h ILE 24 Cb 1.40 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.36 1dvd h ILE 24 CO 0.11 0.28 0.47 1.62 0.00 0.00 0.00 178.15 180.63 1dvd h VAL 25 N -0.69 1.19 0.00 1.67 3.04 -1.48 0.17 116.25 120.14 1dvd h VAL 25 Ca -0.01 -0.35 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1dvd h VAL 25 Cb 0.55 0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1dvd h VAL 25 CO 0.02 0.18 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.94 1dvd h ASP 26 N 0.97 0.00 0.64 3.17 1.82 -1.10 0.49 116.42 122.40 1dvd h ASP 26 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1dvd h ASP 26 Cb -0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1dvd h ASP 26 CO -0.06 0.04 -0.05 0.29 -1.61 0.00 0.00 179.24 177.86 1dvd n LYS 27 N -3.13 0.34 0.00 0.28 5.02 0.28 -3.58 118.16 117.38 1dvd n LYS 27 Ca 0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1dvd n LYS 27 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1dvd n LYS 27 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1dvd n VAL 28 N -1.29 0.00 -0.33 -0.18 0.24 0.12 -4.72 118.33 112.17 1dvd n VAL 28 Ca 0.12 -0.32 0.10 0.00 -2.04 0.00 0.00 64.34 62.19 1dvd n VAL 28 Cb 0.28 1.07 0.21 0.00 -1.47 0.00 0.00 33.84 33.93 1dvd n VAL 28 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1dvd h LYS 29 N 0.00 0.02 -0.09 7.34 3.64 -0.10 1.07 116.57 128.45 1dvd h LYS 29 Ca 0.00 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1dvd h LYS 29 Cb 0.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1dvd h LYS 29 CO 0.00 0.02 -0.68 -1.00 -2.27 0.00 0.00 179.45 175.51 1dvd h PRO 30 N 0.02 0.40 0.00 1.90 0.13 -1.86 -1.12 132.00 131.48 1dvd h PRO 30 Ca 0.52 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1dvd h PRO 30 Cb 0.96 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dvd h PRO 30 CO -0.90 0.94 0.00 1.04 -0.23 0.00 0.00 178.00 178.85 1dvd n GLN 31 N -3.86 0.34 -0.12 0.86 6.02 0.30 -2.89 117.38 118.03 1dvd n GLN 31 Ca -0.04 0.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.87 1dvd n GLN 31 Cb 0.68 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.27 2.23 0.08 1.08 4.77 0.28 -3.61 117.00 120.56 1dvd n LEU 32 Ca 0.11 -0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1dvd n LEU 32 Cb 0.17 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 1dvd n LEU 32 CO 0.17 0.81 0.67 -0.33 -1.33 0.00 0.00 177.39 177.37 1dvd h GLU 33 N 0.00 -0.45 0.03 3.23 5.08 -1.08 -1.87 114.58 119.51 1dvd h GLU 33 Ca -0.55 0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.61 1dvd h GLU 33 Cb 1.95 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1dvd h GLU 33 CO -0.06 -0.30 -1.01 1.05 -1.00 0.00 0.00 179.01 177.69 1dvd h GLU 34 N -0.47 0.39 0.13 2.33 4.11 -1.77 -0.04 114.58 119.27 1dvd h GLU 34 Ca 0.05 -0.46 0.02 0.00 0.07 0.00 0.00 59.36 59.04 1dvd h GLU 34 Cb 0.53 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1dvd h GLU 34 CO -0.21 1.14 -0.38 0.87 0.07 0.00 0.00 179.01 180.49 1dvd h LYS 35 N 0.20 -0.60 -0.70 1.06 6.56 -1.57 -1.76 116.57 119.77 1dvd h LYS 35 Ca -0.09 0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 1dvd h LYS 35 Cb 1.66 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 33.44 1dvd h LYS 35 CO 0.17 -0.40 0.03 -2.37 -2.06 0.00 0.00 179.45 174.83 1dvd n THR 36 N -5.45 2.18 -4.45 -0.16 5.66 -0.72 -4.90 114.28 106.44 1dvd n THR 36 Ca -0.07 -1.11 -0.41 0.00 -3.05 0.00 0.00 64.05 59.41 1dvd n THR 36 Cb 0.36 -0.35 -0.07 0.00 -1.55 0.00 0.00 70.33 68.73 1dvd n THR 36 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1dvd n ASN 37 N 0.40 -2.12 -4.15 1.09 0.23 -0.66 -4.90 115.26 105.15 1dvd n ASN 37 Ca 0.23 -1.18 -0.10 0.00 -0.53 0.00 0.00 54.58 53.01 1dvd n ASN 37 Cb 1.02 -1.82 -0.10 0.00 -2.08 0.00 0.00 39.78 36.80 1dvd n ASN 37 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1dvd s GLU 38 N -7.15 0.79 -0.14 -3.83 2.12 -0.09 -5.00 118.70 105.41 1dvd s GLU 38 Ca 0.81 -1.31 -0.06 0.00 0.36 0.00 0.00 54.97 54.77 1dvd s GLU 38 Cb -0.47 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.78 1dvd s GLU 38 CO 0.99 -0.04 0.08 0.99 -0.54 0.00 0.00 175.26 176.74 1dvd s THR 39 N -3.70 4.97 0.40 -1.70 2.01 -1.26 -4.04 115.64 112.32 1dvd s THR 39 Ca 0.11 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1dvd s THR 39 Cb 0.06 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 1dvd s THR 39 CO -0.06 0.55 0.06 -0.31 -0.69 0.00 0.00 174.62 174.17 1dvd s TYR 40 N -0.41 2.54 0.00 4.92 2.02 -1.26 -5.05 117.35 120.11 1dvd s TYR 40 Ca 0.10 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1dvd s TYR 40 Cb -0.12 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1dvd s TYR 40 CO 0.02 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.78 1dvd n GLY 43 N -1.05 5.71 3.66 0.71 0.00 -1.26 -5.04 105.19 107.91 1dvd n GLY 43 Ca -0.04 -1.94 -0.60 0.00 0.00 0.00 0.00 46.02 43.44 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 0.59 -3.24 1.61 4.81 -1.26 -4.56 118.16 116.10 1dvd n LYS 44 Ca 0.00 0.21 -0.44 0.00 -0.87 0.00 0.00 58.31 57.21 1dvd n LYS 44 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1dvd n LYS 44 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dvd n LEU 45 N 3.69 5.79 -4.52 3.14 4.77 -1.24 -1.18 117.00 127.44 1dvd n LEU 45 Ca 0.25 -5.10 -0.13 0.00 -0.03 0.00 0.00 56.01 51.00 1dvd n LEU 45 Cb 0.07 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 39.67 1dvd n LEU 45 CO 0.76 1.47 1.19 -0.62 -1.33 0.00 0.00 177.39 178.87 1dvd n GLU 46 N 2.21 0.28 -1.50 3.23 1.02 -0.37 -4.41 120.64 121.09 1dvd n GLU 46 Ca 0.25 -1.11 -0.53 0.00 -0.02 0.00 0.00 57.16 55.75 1dvd n GLU 46 Cb 0.37 -3.44 -0.06 0.00 -0.02 0.00 0.00 31.44 28.30 1dvd n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dvd n ALA 47 N 17.46 -2.51 -0.04 0.62 0.00 -1.26 -1.16 120.51 133.60 1dvd n ALA 47 Ca 0.43 0.52 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 1dvd n ALA 47 Cb 0.43 -1.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 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 1.19 0.50 -4.09 0.00 0.31 -0.64 -4.59 118.33 111.00 1dvd n VAL 48 Ca 0.18 -0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1dvd n VAL 48 Cb 0.17 -0.90 -0.07 0.00 -0.91 0.00 0.00 33.84 32.13 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 -2.17 1.47 -0.26 5.55 -0.21 -0.98 -1.88 119.66 121.18 1dvd s GLN 49 Ca -0.12 -1.48 -0.26 0.00 0.02 0.00 0.00 55.36 53.53 1dvd s GLN 49 Cb 0.03 0.39 0.12 0.00 1.00 0.00 0.00 33.01 34.55 1dvd s GLN 49 CO 0.20 -0.57 1.01 1.52 -2.12 0.00 0.00 175.29 175.33 1dvd s TYR 50 N -3.94 -0.48 -0.10 0.91 1.13 0.83 -1.20 117.35 114.50 1dvd s TYR 50 Ca 0.30 1.13 0.03 0.00 -1.41 0.00 0.00 57.07 57.12 1dvd s TYR 50 Cb 0.02 0.37 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 1dvd s TYR 50 CO 0.12 -0.26 -0.22 0.15 -2.51 0.00 0.00 175.55 172.83 1dvd s LYS 51 N 0.04 2.87 0.24 -3.49 3.01 0.58 -2.00 119.74 121.00 1dvd s LYS 51 Ca 0.02 -0.81 -0.04 0.00 -1.01 0.00 0.00 55.97 54.13 1dvd s LYS 51 Cb -0.04 -2.21 0.06 0.00 -1.01 0.00 0.00 37.83 34.62 1dvd s LYS 51 CO -0.05 0.12 0.25 0.25 0.51 0.00 0.00 175.35 176.43 1dvd n THR 52 N 3.68 0.00 -3.60 2.17 -2.24 -1.26 0.31 114.28 113.34 1dvd n THR 52 Ca -0.20 -0.13 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1dvd n THR 52 Cb 0.53 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.39 1dvd n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1dvd s GLN 53 N -3.55 0.43 -0.29 -0.78 -0.44 -1.21 -4.56 119.66 109.25 1dvd s GLN 53 Ca 0.15 0.82 -0.07 0.00 -2.50 0.00 0.00 55.36 53.76 1dvd s GLN 53 Cb -0.01 0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.58 1dvd s GLN 53 CO 0.11 -0.10 0.08 0.54 0.50 0.00 0.00 175.29 176.42 1dvd s VAL 54 N 1.72 4.04 0.00 1.34 0.11 -1.26 -1.06 120.40 125.29 1dvd s VAL 54 Ca -0.08 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1dvd s VAL 54 Cb -0.05 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1dvd s VAL 54 CO -0.16 0.11 0.00 1.33 -3.33 0.00 0.00 175.10 173.05 1dvd n VAL 55 N 4.88 0.00 -1.18 2.04 0.24 -1.26 -4.82 118.33 118.23 1dvd n VAL 55 Ca -0.15 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.93 1dvd n VAL 55 Cb 0.48 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 33.04 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 5.48 0.00 2.33 0.00 -1.26 -4.89 120.51 119.17 1dvd n ALA 56 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1dvd n ALA 56 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.04 -0.63 3.28 0.00 0.00 -1.26 -4.59 105.19 100.94 1dvd n GLY 57 Ca 0.58 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.94 0.30 2.61 2.01 -1.26 -4.57 115.64 113.80 1dvd s THR 58 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1dvd s THR 58 Cb 0.00 -0.96 0.07 0.00 0.01 0.00 0.00 72.50 71.62 1dvd s THR 58 CO 0.00 -0.01 0.41 0.59 -0.69 0.00 0.00 174.62 174.92 1dvd n ASN 59 N 5.43 0.11 -4.05 3.53 3.02 -0.23 -3.48 115.26 119.59 1dvd n ASN 59 Ca -0.05 -1.19 -0.11 0.00 -0.03 0.00 0.00 54.58 53.20 1dvd n ASN 59 Cb 0.50 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.72 0.56 -0.01 3.10 1.51 0.83 -3.35 117.35 118.27 1dvd s TYR 60 Ca 0.24 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1dvd s TYR 60 Cb -0.01 -0.35 -0.00 0.00 -0.11 0.00 0.00 41.96 41.49 1dvd s TYR 60 CO 0.16 -0.15 -0.08 0.71 -1.11 0.00 0.00 175.55 175.08 1dvd s TYR 61 N -1.88 0.80 -0.24 2.71 1.51 0.15 -2.28 117.35 118.12 1dvd s TYR 61 Ca -0.08 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 1dvd s TYR 61 Cb -0.07 -0.54 0.09 0.00 -0.11 0.00 0.00 41.96 41.33 1dvd s TYR 61 CO -0.01 -0.05 0.55 0.42 -1.11 0.00 0.00 175.55 175.35 1dvd s ILE 62 N -0.02 -0.39 -0.76 2.71 1.01 -0.14 -0.31 121.20 123.29 1dvd s ILE 62 Ca 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 1dvd s ILE 62 Cb -0.05 -0.83 0.20 0.00 0.01 0.00 0.00 42.46 41.79 1dvd s ILE 62 CO -0.00 0.02 0.67 -0.75 0.00 0.00 0.00 174.94 174.89 1dvd s LYS 63 N 2.10 3.32 0.28 2.79 2.47 -0.34 0.02 119.74 130.38 1dvd s LYS 63 Ca -0.07 -2.45 0.03 0.00 -1.56 0.00 0.00 55.97 51.92 1dvd s LYS 63 Cb -0.09 -4.25 -0.03 0.00 -1.46 0.00 0.00 37.83 32.00 1dvd s LYS 63 CO -0.16 -1.26 0.44 0.14 0.16 0.00 0.00 175.35 174.66 1dvd s VAL 64 N 0.17 5.19 -0.05 4.02 -7.23 -1.03 -1.63 120.40 119.85 1dvd s VAL 64 Ca 0.17 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.33 1dvd s VAL 64 Cb -0.14 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.92 1dvd s VAL 64 CO -0.07 -0.42 0.89 -0.13 -0.31 0.00 0.00 175.10 175.06 1dvd s ARG 65 N -4.08 4.48 -0.16 4.82 0.52 -0.31 -0.94 118.95 123.28 1dvd s ARG 65 Ca 0.37 1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 56.76 1dvd s ARG 65 Cb -0.09 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1dvd s ARG 65 CO 0.32 -0.07 2.74 0.00 0.02 0.00 0.00 175.30 178.31 1dvd n ALA 66 N 4.10 5.57 0.00 2.13 0.00 -0.55 -1.24 120.51 130.52 1dvd n ALA 66 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1dvd n ALA 66 Cb 0.51 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.49 1.72 0.00 0.00 0.00 -0.33 -4.39 105.19 103.69 1dvd n GLY 67 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1dvd n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dvd n ASP 68 N 4.90 0.00 0.00 1.61 5.75 -1.26 -4.70 116.55 122.84 1dvd n ASP 68 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 1dvd n ASP 68 Cb 0.00 0.00 0.86 0.00 -1.03 0.00 0.00 41.12 40.95 1dvd n ASP 68 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1dvd n ASN 92 N 0.00 0.00 -4.13 -1.12 5.03 -1.26 -4.83 115.26 108.95 1dvd n ASN 92 Ca 0.00 -1.07 -0.30 0.00 0.87 0.00 0.00 54.58 54.09 1dvd n ASN 92 Cb 0.00 0.00 0.21 0.00 -1.02 0.00 0.00 39.78 38.97 1dvd n ASN 92 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1dvd s LYS 93 N -2.00 -0.32 0.23 3.52 1.02 -1.26 -4.89 119.74 116.04 1dvd s LYS 93 Ca 0.43 -0.02 -0.11 0.00 0.02 0.00 0.00 55.97 56.29 1dvd s LYS 93 Cb 0.20 -1.70 -0.01 0.00 -0.52 0.00 0.00 37.83 35.80 1dvd s LYS 93 CO 0.33 -3.12 0.42 0.71 -0.92 0.00 0.00 175.35 172.77 1dvd s TYR 94 N -3.22 0.43 -0.23 3.18 1.51 -1.25 -1.47 117.35 116.29 1dvd s TYR 94 Ca 0.70 -0.77 -0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1dvd s TYR 94 Cb -0.10 0.09 0.12 0.00 -0.11 0.00 0.00 41.96 41.96 1dvd s TYR 94 CO 0.55 -0.92 0.40 1.41 -1.11 0.00 0.00 175.55 175.88 1dvd s MET 95 N -4.02 0.35 0.57 -0.62 1.75 -0.12 -3.36 119.30 113.85 1dvd s MET 95 Ca 0.23 0.69 -0.18 0.00 -1.25 0.00 0.00 55.69 55.18 1dvd s MET 95 Cb 0.01 -0.21 -0.05 0.00 2.84 0.00 0.00 34.83 37.42 1dvd s MET 95 CO 0.08 -0.53 1.08 -1.01 -0.65 0.00 0.00 175.02 173.99 1dvd s HIS 96 N 2.58 2.83 0.07 4.11 3.76 -0.39 -2.47 115.29 125.78 1dvd s HIS 96 Ca 0.09 1.54 -0.09 0.00 -0.15 0.00 0.00 55.06 56.46 1dvd s HIS 96 Cb -0.14 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.42 1dvd s HIS 96 CO -0.15 -1.29 0.19 -0.51 -0.85 0.00 0.00 174.74 172.13 1dvd s LEU 97 N -4.16 1.40 -0.13 0.89 1.02 0.10 -1.69 118.68 116.12 1dvd s LEU 97 Ca 0.68 -0.55 -0.04 0.00 0.02 0.00 0.00 54.13 54.24 1dvd s LEU 97 Cb -0.19 1.01 0.06 0.00 0.02 0.00 0.00 46.19 47.08 1dvd s LEU 97 CO 0.31 -0.66 0.11 -0.54 0.02 0.00 0.00 176.35 175.59 1dvd s LYS 98 N -3.38 0.04 0.39 1.70 1.02 -0.44 -0.97 119.74 118.10 1dvd s LYS 98 Ca 0.01 0.18 0.08 0.00 0.02 0.00 0.00 55.97 56.26 1dvd s LYS 98 Cb 0.03 -1.17 -0.07 0.00 -0.52 0.00 0.00 37.83 36.10 1dvd s LYS 98 CO -0.08 -0.53 0.01 0.08 -0.92 0.00 0.00 175.35 173.91 1dvd s VAL 99 N 2.20 2.16 -0.09 3.17 1.01 -0.97 0.19 120.40 128.07 1dvd s VAL 99 Ca 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1dvd s VAL 99 Cb -0.14 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1dvd s VAL 99 CO -0.07 -0.06 -0.07 0.12 0.00 0.00 0.00 175.10 175.01 1dvd s PHE 100 N -2.65 1.31 -0.17 5.22 5.36 -0.79 -0.12 117.98 126.14 1dvd s PHE 100 Ca 0.35 -0.58 0.17 0.00 -0.96 0.00 0.00 56.93 55.91 1dvd s PHE 100 Cb 0.06 -1.10 0.46 0.00 -0.34 0.00 0.00 43.02 42.10 1dvd s PHE 100 CO 0.18 -0.42 1.34 1.17 -1.46 0.00 0.00 175.22 176.03 1dvd n LYS 101 N 4.69 2.44 0.00 10.12 4.81 -1.23 -1.91 118.16 137.08 1dvd n LYS 101 Ca -0.15 -2.76 0.00 0.00 -0.87 0.00 0.00 58.31 54.54 1dvd n LYS 101 Cb 0.50 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1dvd n LYS 101 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1dvd n SER 102 N -0.78 0.00 -4.47 3.14 2.88 -1.26 -4.90 113.62 108.23 1dvd n SER 102 Ca 0.20 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.30 1dvd n SER 102 Cb 0.81 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.19 1dvd n SER 102 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1dvd s LEU 102 N 0.00 4.93 0.14 2.46 1.43 -1.26 -5.04 118.68 121.33 1dvd s LEU 102 Ca 0.00 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 1dvd s LEU 102 Cb 0.00 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 1dvd s LEU 102 CO 0.00 -0.64 1.00 -2.16 0.23 0.00 0.00 176.35 174.78 1dvd s PRO 103 N 2.20 4.68 -0.10 1.29 0.04 -1.26 -4.98 135.00 136.87 1dvd s PRO 103 Ca 0.12 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 1dvd s PRO 103 Cb -0.18 -3.34 -0.28 0.00 0.04 0.00 0.00 34.50 30.74 1dvd s PRO 103 CO 0.13 0.20 0.74 0.78 0.04 0.00 0.00 177.00 178.89 1dvd h GLY 104 N 5.36 0.19 -3.25 0.56 0.00 -1.95 -3.49 103.07 100.50 1dvd h GLY 104 Ca -0.43 -0.49 0.19 0.00 0.00 0.00 0.00 47.33 46.60 1dvd h GLY 104 CO 0.72 0.42 0.63 -0.86 0.00 0.00 0.00 176.54 177.45 1dvd s GLN 105 N -2.36 0.67 0.00 4.80 -2.07 -1.26 -4.94 119.66 114.50 1dvd s GLN 105 Ca -0.18 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1dvd s GLN 105 Cb 0.01 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1dvd s GLN 105 CO 0.75 -0.30 0.00 -1.71 -1.32 0.00 0.00 175.29 172.72 1dvd n ASN 105 N -0.26 -2.31 -0.42 12.60 2.85 -1.26 -4.87 115.26 121.57 1dvd n ASN 105 Ca -0.05 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.46 1dvd n ASN 105 Cb 0.61 -0.56 -0.01 0.00 1.24 0.00 0.00 39.78 41.06 1dvd n ASN 105 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1dvd n GLU 106 N -2.52 -0.68 -1.16 1.20 -0.58 -1.26 -4.95 120.64 110.69 1dvd n GLU 106 Ca 0.00 0.45 0.14 0.00 -0.42 0.00 0.00 57.16 57.33 1dvd n GLU 106 Cb 0.03 -0.83 -0.07 0.00 -0.57 0.00 0.00 31.44 29.99 1dvd n GLU 106 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1dvd n ASP 107 N -4.23 -6.52 -3.06 1.62 2.03 -1.26 -4.85 116.55 100.28 1dvd n ASP 107 Ca 0.00 1.08 -0.03 0.00 0.52 0.00 0.00 54.79 56.36 1dvd n ASP 107 Cb 0.15 -3.94 0.02 0.00 -0.72 0.00 0.00 41.12 36.64 1dvd n ASP 107 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1dvd n LEU 108 N -3.91 0.00 -4.02 -2.67 4.32 -1.26 -4.87 117.00 104.59 1dvd n LEU 108 Ca -0.06 -0.07 -0.09 0.00 -0.02 0.00 0.00 56.01 55.76 1dvd n LEU 108 Cb 0.55 -0.11 -0.08 0.00 -1.62 0.00 0.00 43.42 42.15 1dvd n LEU 108 CO 0.03 -1.47 -0.17 0.54 -1.22 0.00 0.00 177.39 175.09 1dvd s VAL 109 N -0.81 0.12 -0.96 4.08 0.11 -0.80 -4.89 120.40 117.24 1dvd s VAL 109 Ca 0.06 -1.58 -0.10 0.00 -2.93 0.00 0.00 61.98 57.43 1dvd s VAL 109 Cb -0.01 -1.76 0.25 0.00 -1.53 0.00 0.00 36.38 33.32 1dvd s VAL 109 CO 0.05 -0.52 0.92 -0.22 -3.33 0.00 0.00 175.10 171.99 1dvd s LEU 110 N -2.97 6.37 0.58 2.54 2.96 -1.26 -1.88 118.68 125.02 1dvd s LEU 110 Ca 0.16 -3.24 0.37 0.00 -0.22 0.00 0.00 54.13 51.19 1dvd s LEU 110 Cb 0.06 -2.16 1.69 0.00 0.50 0.00 0.00 46.19 46.27 1dvd s LEU 110 CO -0.03 -0.38 2.10 0.71 -1.32 0.00 0.00 176.35 177.42 1dvd h THR 111 N 4.20 0.00 0.00 3.68 1.35 0.18 -3.47 112.91 118.84 1dvd h THR 111 Ca 0.14 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1dvd h THR 111 Cb 0.93 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1dvd h THR 111 CO 0.89 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1dvd n GLY 112 N -0.32 -1.25 0.00 5.82 0.00 -0.01 -4.92 105.19 104.51 1dvd n GLY 112 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.72 0.00 -3.23 1.61 0.18 -1.26 -1.32 117.16 113.85 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 -0.45 3.04 0.69 -3.48 -1.52 -0.68 -4.90 119.66 112.36 1dvd s GLN 114 Ca 0.00 -1.25 -0.15 0.00 -1.95 0.00 0.00 55.36 52.01 1dvd s GLN 114 Cb 0.00 -4.18 0.02 0.00 -0.22 0.00 0.00 33.01 28.63 1dvd s GLN 114 CO 0.00 -1.26 1.15 0.54 -0.25 0.00 0.00 175.29 175.47 1dvd s VAL 115 N 2.21 2.86 -0.97 1.09 0.11 -1.26 -1.26 120.40 123.18 1dvd s VAL 115 Ca 0.09 0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 59.50 1dvd s VAL 115 Cb -0.23 -2.94 0.05 0.00 -1.53 0.00 0.00 36.38 31.72 1dvd s VAL 115 CO 0.08 -0.24 0.25 -0.67 -3.33 0.00 0.00 175.10 171.18 1dvd n ASP 115 N -2.53 -3.02 -4.85 3.54 -0.08 -1.22 -4.87 116.55 103.52 1dvd n ASP 115 Ca 0.12 -0.08 -0.30 0.00 -1.51 0.00 0.00 54.79 53.01 1dvd n ASP 115 Cb 0.51 -2.57 0.05 0.00 2.34 0.00 0.00 41.12 41.45 1dvd n ASP 115 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1dvd s LYS 116 N -5.59 2.87 0.27 -0.67 2.47 -1.15 -4.87 119.74 113.07 1dvd s LYS 116 Ca 0.23 0.67 0.08 0.00 -1.56 0.00 0.00 55.97 55.38 1dvd s LYS 116 Cb -0.12 -2.00 -0.04 0.00 -1.46 0.00 0.00 37.83 34.21 1dvd s LYS 116 CO 0.28 -1.08 0.16 -0.80 0.16 0.00 0.00 175.35 174.07 1dvd s ASN 117 N -4.10 5.22 0.15 1.43 0.01 -1.26 -3.81 114.94 112.58 1dvd s ASN 117 Ca 0.58 -0.40 -0.18 0.00 -0.71 0.00 0.00 52.86 52.16 1dvd s ASN 117 Cb -0.12 -1.19 0.04 0.00 0.41 0.00 0.00 41.25 40.39 1dvd s ASN 117 CO 0.53 -0.07 1.72 0.50 -1.51 0.00 0.00 177.10 178.27 1dvd h LYS 118 N 1.56 0.11 -1.06 -0.60 3.64 -1.95 -0.15 116.57 118.12 1dvd h LYS 118 Ca -0.47 -0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.21 1dvd h LYS 118 Cb 1.24 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 1dvd h LYS 118 CO 0.60 0.07 0.64 -0.44 -2.27 0.00 0.00 179.45 178.06 1dvd h ASP 119 N 0.11 0.50 -1.38 4.20 5.19 -2.02 -3.32 116.42 119.70 1dvd h ASP 119 Ca 0.15 0.14 -0.38 0.00 -0.62 0.00 0.00 57.03 56.32 1dvd h ASP 119 Cb 0.19 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1dvd h ASP 119 CO -0.23 -0.02 1.09 -0.62 -3.12 0.00 0.00 179.24 176.34 1dvd s ASP 120 N -5.02 4.86 0.90 6.45 -1.08 -0.07 -4.94 116.67 117.76 1dvd s ASP 120 Ca -0.09 0.23 -0.13 0.00 -0.52 0.00 0.00 52.55 52.04 1dvd s ASP 120 Cb 0.28 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 39.34 1dvd s ASP 120 CO 0.80 -2.79 1.16 -0.70 0.52 0.00 0.00 175.17 174.16 1dvd s GLU 121 N 7.57 1.23 -0.23 4.34 2.56 -1.25 -4.79 118.70 128.13 1dvd s GLU 121 Ca 0.78 0.19 0.06 0.00 0.00 0.00 0.00 54.97 56.00 1dvd s GLU 121 Cb -0.12 -1.86 0.49 0.00 2.00 0.00 0.00 34.13 34.64 1dvd s GLU 121 CO 0.15 -2.12 1.48 1.28 -0.56 0.00 0.00 175.26 175.49 1dvd n LEU 122 N -3.69 4.86 0.00 2.70 4.32 -1.26 -4.71 117.00 119.22 1dvd n LEU 122 Ca 0.08 -2.53 0.00 0.00 -0.02 0.00 0.00 56.01 53.54 1dvd n LEU 122 Cb 0.60 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1dvd n LEU 122 CO 0.56 0.70 0.00 1.07 -1.22 0.00 0.00 177.39 178.50 1dvd n THR 123 N -0.13 0.00 -2.75 -5.08 5.66 -1.26 -1.75 114.28 108.97 1dvd n THR 123 Ca 0.30 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.28 1dvd n THR 123 Cb 1.09 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.96 1dvd n THR 123 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dvd n GLY 124 N -0.86 1.87 0.66 1.09 0.00 -1.26 -4.67 105.19 102.02 1dvd n GLY 124 Ca 0.00 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.53 1dvd n GLY 124 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65