#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb3 s ILE 7 N 0.00 5.07 0.69 1.12 -4.36 -1.26 -5.00 121.20 117.46 1nb3 s ILE 7 Ca 0.00 -0.32 -0.16 0.00 -0.26 0.00 0.00 60.65 59.91 1nb3 s ILE 7 Cb 0.00 -3.85 0.01 0.00 1.25 0.00 0.00 42.46 39.87 1nb3 s ILE 7 CO 0.00 -0.59 1.19 -2.84 0.24 0.00 0.00 174.94 172.94 1nb3 s PRO 8 N -4.33 2.46 0.00 0.37 0.02 -1.26 -1.39 135.00 130.87 1nb3 s PRO 8 Ca 0.41 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1nb3 s PRO 8 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1nb3 s PRO 8 CO 0.37 -1.58 0.00 0.41 -0.33 0.00 0.00 177.00 175.88 1nb3 n GLY 9 N 0.22 0.29 0.00 0.52 0.00 -1.26 -4.97 105.19 99.99 1nb3 n GLY 9 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nb3 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nb3 n GLY 10 N -1.49 -1.24 2.73 -0.02 0.00 -0.48 -4.81 105.19 99.87 1nb3 n GLY 10 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 1nb3 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nb3 s LEU 11 N 0.00 0.45 0.97 0.99 1.43 -1.26 -4.51 118.68 116.75 1nb3 s LEU 11 Ca 0.00 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1nb3 s LEU 11 Cb 0.00 -0.29 -0.00 0.00 0.03 0.00 0.00 46.19 45.93 1nb3 s LEU 11 CO 0.00 -0.21 0.11 -1.54 0.23 0.00 0.00 176.35 174.94 1nb3 n SER 12 N 5.11 -2.94 -4.71 2.29 3.41 -0.66 -4.87 113.62 111.26 1nb3 n SER 12 Ca -0.07 0.27 -0.32 0.00 -0.26 0.00 0.00 58.87 58.49 1nb3 n SER 12 Cb 0.50 -1.09 0.13 0.00 -0.26 0.00 0.00 64.21 63.49 1nb3 n SER 12 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1nb3 s GLU 13 N -3.27 1.58 0.17 4.33 2.56 -1.26 -4.60 118.70 118.21 1nb3 s GLU 13 Ca 0.53 1.49 -0.31 0.00 0.00 0.00 0.00 54.97 56.68 1nb3 s GLU 13 Cb -0.20 -1.80 -0.09 0.00 2.00 0.00 0.00 34.13 34.05 1nb3 s GLU 13 CO 0.71 -2.20 1.45 0.00 -0.56 0.00 0.00 175.26 174.66 1nb3 s ALA 14 N -2.58 3.66 0.04 6.30 0.00 -1.26 -4.80 121.76 123.11 1nb3 s ALA 14 Ca 0.67 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.96 1nb3 s ALA 14 Cb -0.22 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1nb3 s ALA 14 CO 0.55 -0.69 -0.22 0.15 0.00 0.00 0.00 175.76 175.55 1nb3 s LYS 15 N 0.64 1.96 0.58 0.00 1.02 -0.78 -4.95 119.74 118.22 1nb3 s LYS 15 Ca 0.64 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 55.42 1nb3 s LYS 15 Cb -0.40 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1nb3 s LYS 15 CO 0.34 0.53 1.16 -2.14 -0.92 0.00 0.00 175.35 174.32 1nb3 s PRO 16 N -1.29 3.09 0.35 -1.68 0.02 -1.26 -0.93 135.00 133.29 1nb3 s PRO 16 Ca 0.13 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.53 1nb3 s PRO 16 Cb -0.10 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 1nb3 s PRO 16 CO 0.03 -1.07 1.43 0.00 -0.33 0.00 0.00 177.00 177.06 1nb3 s ALA 17 N -1.79 3.56 0.47 -1.55 0.00 -0.50 -4.71 121.76 117.25 1nb3 s ALA 17 Ca 0.74 1.45 0.04 0.00 0.00 0.00 0.00 51.96 54.19 1nb3 s ALA 17 Cb -0.26 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1nb3 s ALA 17 CO 0.32 -0.89 0.08 0.95 0.00 0.00 0.00 175.76 176.22 1nb3 s THR 18 N -0.97 1.66 0.34 0.00 -4.23 -1.26 -4.93 115.64 106.25 1nb3 s THR 18 Ca 0.53 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1nb3 s THR 18 Cb -0.44 -2.55 0.24 0.00 1.34 0.00 0.00 72.50 71.09 1nb3 s THR 18 CO 0.57 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.98 1nb3 h PRO 19 N 1.42 0.83 -0.66 3.99 0.11 -1.99 -0.29 132.00 135.41 1nb3 h PRO 19 Ca -0.43 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1nb3 h PRO 19 Cb 1.28 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1nb3 h PRO 19 CO 0.74 0.59 0.42 1.49 -0.21 0.00 0.00 178.00 181.03 1nb3 h GLU 20 N 0.84 0.81 -0.43 1.05 4.81 -1.99 -0.68 114.58 119.00 1nb3 h GLU 20 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1nb3 h GLU 20 Cb -0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1nb3 h GLU 20 CO -0.04 0.54 0.26 0.82 -0.73 0.00 0.00 179.01 179.86 1nb3 h ILE 21 N 0.84 1.13 -0.85 2.32 1.08 -1.65 -1.06 117.51 119.32 1nb3 h ILE 21 Ca 0.26 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1nb3 h ILE 21 Cb -0.02 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.23 1nb3 h ILE 21 CO -0.09 0.13 0.54 -0.61 -0.69 0.00 0.00 178.15 177.43 1nb3 h GLN 22 N 0.56 0.98 0.01 2.37 5.75 -0.12 -0.58 115.11 124.08 1nb3 h GLN 22 Ca 0.15 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1nb3 h GLN 22 Cb -0.01 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.29 1nb3 h GLN 22 CO -0.03 0.65 -0.12 1.49 -2.65 0.00 0.00 178.83 178.17 1nb3 h GLU 23 N 1.01 -0.19 -0.55 1.69 4.22 -0.54 0.36 114.58 120.57 1nb3 h GLU 23 Ca 0.36 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.92 1nb3 h GLU 23 Cb 0.10 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 1nb3 h GLU 23 CO -0.15 -0.13 0.03 0.82 -2.18 0.00 0.00 179.01 177.40 1nb3 h ILE 24 N -0.20 0.59 0.58 2.32 2.04 0.12 0.76 117.51 123.71 1nb3 h ILE 24 Ca 0.04 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1nb3 h ILE 24 Cb 0.25 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1nb3 h ILE 24 CO -0.11 0.03 -0.28 0.58 0.00 0.00 0.00 178.15 178.37 1nb3 h VAL 25 N 0.15 0.40 -0.53 1.67 2.07 -0.85 -1.08 116.25 118.09 1nb3 h VAL 25 Ca 0.28 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1nb3 h VAL 25 Cb 0.44 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1nb3 h VAL 25 CO -0.44 0.02 -0.52 0.44 0.02 0.00 0.00 177.57 177.09 1nb3 h ASP 26 N -0.87 -1.80 0.00 0.57 3.45 0.11 0.76 116.42 118.64 1nb3 h ASP 26 Ca -0.08 0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1nb3 h ASP 26 Cb 0.63 0.75 0.00 0.00 -0.56 0.00 0.00 39.33 40.15 1nb3 h ASP 26 CO 0.13 -0.33 0.13 0.11 -1.57 0.00 0.00 179.24 177.71 1nb3 h LYS 27 N -0.27 0.00 0.00 3.56 1.57 0.56 -2.93 116.57 119.06 1nb3 h LYS 27 Ca 0.09 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.54 1nb3 h LYS 27 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1nb3 h LYS 27 CO -0.64 0.00 -2.33 1.55 -0.57 0.00 0.00 179.45 177.47 1nb3 n VAL 28 N -2.98 1.25 -0.29 0.50 3.14 0.21 -4.60 118.33 115.57 1nb3 n VAL 28 Ca -0.03 -0.81 0.12 0.00 -2.96 0.00 0.00 64.34 60.67 1nb3 n VAL 28 Cb 0.19 -0.43 0.24 0.00 -1.06 0.00 0.00 33.84 32.78 1nb3 n VAL 28 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1nb3 n LYS 29 N -2.69 -0.07 0.16 1.45 4.81 0.17 0.11 118.16 122.09 1nb3 n LYS 29 Ca -0.30 1.24 0.13 0.00 -0.87 0.00 0.00 58.31 58.51 1nb3 n LYS 29 Cb 1.10 -1.97 0.53 0.00 0.02 0.00 0.00 35.03 34.70 1nb3 n LYS 29 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1nb3 h PRO 30 N 0.00 0.00 0.06 1.64 0.13 -1.81 -1.54 132.00 130.48 1nb3 h PRO 30 Ca 0.50 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.37 1nb3 h PRO 30 Cb 1.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.18 1nb3 h PRO 30 CO -0.78 0.00 -1.11 1.96 -0.23 0.00 0.00 178.00 177.84 1nb3 h GLN 31 N 0.00 0.48 -0.08 0.86 4.20 0.43 -2.60 115.11 118.40 1nb3 h GLN 31 Ca 0.00 -0.60 -0.01 0.00 0.06 0.00 0.00 58.65 58.10 1nb3 h GLN 31 Cb 0.39 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1nb3 h GLN 31 CO 0.00 1.24 0.01 1.25 -0.67 0.00 0.00 178.83 180.66 1nb3 h LEU 32 N 0.23 0.13 -0.12 1.46 6.46 -1.11 -3.13 115.31 119.23 1nb3 h LEU 32 Ca -0.13 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1nb3 h LEU 32 Cb 1.77 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.66 1nb3 h LEU 32 CO 0.20 0.35 0.07 -0.33 -0.62 0.00 0.00 178.44 178.12 1nb3 h GLU 33 N -0.10 0.16 0.00 1.25 5.08 -1.40 -1.04 114.58 118.53 1nb3 h GLU 33 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1nb3 h GLU 33 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1nb3 h GLU 33 CO 0.00 0.14 0.00 -0.85 -1.00 0.00 0.00 179.01 177.30 1nb3 n GLU 34 N -4.99 0.13 -0.12 2.33 -0.00 -0.98 0.27 120.64 117.29 1nb3 n GLU 34 Ca -0.05 0.19 -0.18 0.00 -0.00 0.00 0.00 57.16 57.12 1nb3 n GLU 34 Cb 0.04 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 29.88 1nb3 n GLU 34 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1nb3 n LYS 35 N -1.25 0.58 -0.04 3.44 5.02 -0.86 -4.59 118.16 120.45 1nb3 n LYS 35 Ca 0.04 0.15 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 1nb3 n LYS 35 Cb 0.06 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 1nb3 n LYS 35 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1nb3 n THR 36 N -3.31 1.02 -0.97 -0.18 -2.24 -0.45 -4.98 114.28 103.18 1nb3 n THR 36 Ca -0.42 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 1nb3 n THR 36 Cb 0.93 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1nb3 n THR 36 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nb3 n ASN 37 N -2.68 -1.22 -4.87 3.42 5.15 0.78 -5.04 115.26 110.80 1nb3 n ASN 37 Ca -0.20 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.48 1nb3 n ASN 37 Cb 0.94 -0.46 0.03 0.00 -0.53 0.00 0.00 39.78 39.76 1nb3 n ASN 37 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nb3 s GLU 38 N -0.14 3.26 -0.14 1.20 2.02 -1.25 -4.99 118.70 118.66 1nb3 s GLU 38 Ca 0.00 0.63 -0.00 0.00 0.02 0.00 0.00 54.97 55.62 1nb3 s GLU 38 Cb 0.00 -2.05 0.03 0.00 0.10 0.00 0.00 34.13 32.21 1nb3 s GLU 38 CO 0.00 -0.79 -0.08 0.99 0.02 0.00 0.00 175.26 175.41 1nb3 s THR 39 N -3.25 1.14 -0.19 3.63 2.01 -1.26 -4.60 115.64 113.12 1nb3 s THR 39 Ca 0.56 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 1nb3 s THR 39 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1nb3 s THR 39 CO 0.53 0.28 0.01 -0.31 -0.69 0.00 0.00 174.62 174.45 1nb3 s TYR 40 N 1.65 3.09 0.33 4.92 2.02 -1.26 -5.01 117.35 123.08 1nb3 s TYR 40 Ca 0.03 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1nb3 s TYR 40 Cb -0.14 -2.07 0.56 0.00 -0.40 0.00 0.00 41.96 39.91 1nb3 s TYR 40 CO -0.08 -0.10 1.92 0.78 -1.57 0.00 0.00 175.55 176.49 1nb3 h GLY 43 N 7.17 0.81 -5.75 0.71 0.00 -2.00 -3.43 103.07 100.58 1nb3 h GLY 43 Ca -0.35 -0.39 0.12 0.00 0.00 0.00 0.00 47.33 46.71 1nb3 h GLY 43 CO 0.63 0.37 -0.12 -1.59 0.00 0.00 0.00 176.54 175.83 1nb3 s LYS 44 N -5.37 0.48 -0.53 4.80 -2.85 -1.26 -5.10 119.74 109.90 1nb3 s LYS 44 Ca -0.09 0.95 -0.18 0.00 -1.00 0.00 0.00 55.97 55.65 1nb3 s LYS 44 Cb 0.16 0.55 0.09 0.00 -2.06 0.00 0.00 37.83 36.57 1nb3 s LYS 44 CO 0.78 -0.41 0.57 -0.51 0.10 0.00 0.00 175.35 175.88 1nb3 s LEU 45 N 2.84 5.50 -0.50 2.77 1.43 -1.26 -4.29 118.68 125.18 1nb3 s LEU 45 Ca 0.09 -1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 51.62 1nb3 s LEU 45 Cb -0.13 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.84 1nb3 s LEU 45 CO -0.18 -0.90 0.78 -0.70 0.23 0.00 0.00 176.35 175.57 1nb3 s GLU 46 N 2.21 3.29 0.17 1.70 2.12 -0.02 -4.84 118.70 123.33 1nb3 s GLU 46 Ca 0.09 -0.40 -0.32 0.00 0.36 0.00 0.00 54.97 54.70 1nb3 s GLU 46 Cb -0.24 -4.02 -0.11 0.00 0.26 0.00 0.00 34.13 30.02 1nb3 s GLU 46 CO 0.07 -1.26 1.72 0.00 -0.54 0.00 0.00 175.26 175.25 1nb3 s ALA 47 N 3.28 3.85 -0.05 6.30 0.00 -1.26 -1.14 121.76 132.74 1nb3 s ALA 47 Ca 0.25 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1nb3 s ALA 47 Cb -0.14 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 1nb3 s ALA 47 CO 0.18 -0.99 -0.04 1.55 0.00 0.00 0.00 175.76 176.46 1nb3 n VAL 48 N 4.22 0.28 -4.11 0.00 3.14 0.27 -4.65 118.33 117.48 1nb3 n VAL 48 Ca 0.16 -0.11 -0.10 0.00 -2.96 0.00 0.00 64.34 61.34 1nb3 n VAL 48 Cb 0.37 -0.67 -0.09 0.00 -1.06 0.00 0.00 33.84 32.38 1nb3 n VAL 48 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1nb3 s GLN 49 N -2.10 1.02 0.24 1.45 -0.21 -1.02 -1.41 119.66 117.63 1nb3 s GLN 49 Ca -0.06 -1.39 -0.17 0.00 0.02 0.00 0.00 55.36 53.75 1nb3 s GLN 49 Cb 0.02 0.28 0.02 0.00 1.00 0.00 0.00 33.01 34.32 1nb3 s GLN 49 CO 0.11 -0.32 0.58 1.52 -2.12 0.00 0.00 175.29 175.06 1nb3 s TYR 50 N -4.04 -0.01 -0.12 0.91 1.13 -0.11 -0.96 117.35 114.15 1nb3 s TYR 50 Ca 0.24 -0.38 -0.12 0.00 -1.41 0.00 0.00 57.07 55.40 1nb3 s TYR 50 Cb 0.06 0.44 0.03 0.00 -1.10 0.00 0.00 41.96 41.40 1nb3 s TYR 50 CO 0.03 -1.05 0.35 0.15 -2.51 0.00 0.00 175.55 172.52 1nb3 s LYS 51 N -3.93 0.43 0.45 -3.49 1.02 0.17 -1.87 119.74 112.52 1nb3 s LYS 51 Ca 0.14 0.44 0.08 0.00 0.02 0.00 0.00 55.97 56.64 1nb3 s LYS 51 Cb -0.03 0.21 -0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1nb3 s LYS 51 CO 0.04 -0.06 0.43 0.99 -0.92 0.00 0.00 175.35 175.83 1nb3 s THR 52 N 0.09 2.50 -0.30 2.17 2.01 -1.26 -0.35 115.64 120.50 1nb3 s THR 52 Ca -0.01 -1.31 -0.11 0.00 0.31 0.00 0.00 61.69 60.56 1nb3 s THR 52 Cb -0.03 -2.82 0.16 0.00 0.01 0.00 0.00 72.50 69.83 1nb3 s THR 52 CO 0.01 0.00 0.87 -1.58 -0.69 0.00 0.00 174.62 173.22 1nb3 s GLN 53 N -4.21 0.38 0.24 4.92 0.74 -0.99 -1.65 119.66 119.09 1nb3 s GLN 53 Ca 0.48 0.86 -0.30 0.00 0.05 0.00 0.00 55.36 56.46 1nb3 s GLN 53 Cb -0.04 0.51 -0.09 0.00 1.10 0.00 0.00 33.01 34.49 1nb3 s GLN 53 CO 0.28 -0.22 1.30 0.08 -0.55 0.00 0.00 175.29 176.18 1nb3 s VAL 54 N 2.69 3.07 0.00 1.34 1.01 -1.26 -1.56 120.40 125.68 1nb3 s VAL 54 Ca 0.01 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1nb3 s VAL 54 Cb -0.09 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1nb3 s VAL 54 CO -0.17 0.17 0.00 1.33 0.00 0.00 0.00 175.10 176.43 1nb3 n VAL 55 N 2.00 0.00 -0.49 2.92 0.24 -1.26 -4.80 118.33 116.94 1nb3 n VAL 55 Ca 0.04 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.28 1nb3 n VAL 55 Cb 0.42 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.72 1nb3 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nb3 n ALA 56 N -3.00 3.66 0.00 2.33 0.00 -1.26 -4.47 120.51 117.77 1nb3 n ALA 56 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1nb3 n ALA 56 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1nb3 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nb3 n GLY 57 N 2.65 -0.39 3.42 0.00 0.00 -1.26 -4.20 105.19 105.40 1nb3 n GLY 57 Ca 0.20 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1nb3 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nb3 s THR 58 N -1.27 -0.01 -0.00 2.61 2.01 -0.45 -4.63 115.64 113.90 1nb3 s THR 58 Ca 0.00 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 1nb3 s THR 58 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1nb3 s THR 58 CO 0.00 0.01 0.07 0.20 -0.69 0.00 0.00 174.62 174.21 1nb3 s ASN 59 N 0.86 5.58 -0.04 3.53 0.01 -0.60 -0.33 114.94 123.94 1nb3 s ASN 59 Ca -0.05 0.12 0.06 0.00 -0.71 0.00 0.00 52.86 52.29 1nb3 s ASN 59 Cb -0.05 -1.58 -0.02 0.00 0.41 0.00 0.00 41.25 40.01 1nb3 s ASN 59 CO -0.07 0.27 -0.22 -0.31 -1.51 0.00 0.00 177.10 175.26 1nb3 s TYR 60 N -1.17 2.46 -0.33 2.20 2.02 0.25 -2.36 117.35 120.43 1nb3 s TYR 60 Ca 0.22 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1nb3 s TYR 60 Cb -0.12 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1nb3 s TYR 60 CO 0.13 -0.03 0.05 0.71 -1.57 0.00 0.00 175.55 174.84 1nb3 s TYR 61 N -0.50 3.35 -0.27 2.71 1.51 0.53 -1.70 117.35 122.97 1nb3 s TYR 61 Ca 0.07 -2.01 -0.05 0.00 -1.01 0.00 0.00 57.07 54.06 1nb3 s TYR 61 Cb -0.11 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.36 1nb3 s TYR 61 CO 0.01 -0.84 0.04 0.42 -1.11 0.00 0.00 175.55 174.06 1nb3 s ILE 62 N 1.22 3.70 -0.68 2.71 1.01 0.67 -0.65 121.20 129.18 1nb3 s ILE 62 Ca -0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.68 1nb3 s ILE 62 Cb -0.20 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.44 1nb3 s ILE 62 CO -0.02 0.16 1.13 -0.75 0.00 0.00 0.00 174.94 175.47 1nb3 s LYS 63 N 1.47 3.21 -0.14 2.79 2.47 -0.14 -0.90 119.74 128.50 1nb3 s LYS 63 Ca 0.03 -0.40 -0.04 0.00 -1.56 0.00 0.00 55.97 54.00 1nb3 s LYS 63 Cb -0.17 -4.17 -0.03 0.00 -1.46 0.00 0.00 37.83 32.00 1nb3 s LYS 63 CO 0.00 -1.93 0.01 0.08 0.16 0.00 0.00 175.35 173.68 1nb3 s VAL 64 N 4.94 4.39 0.06 4.02 1.01 -0.57 0.96 120.40 135.21 1nb3 s VAL 64 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1nb3 s VAL 64 Cb -0.11 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1nb3 s VAL 64 CO 0.15 0.53 0.21 -0.60 0.00 0.00 0.00 175.10 175.39 1nb3 s ARG 65 N -0.17 3.43 -0.14 2.72 3.52 -0.29 -0.48 118.95 127.54 1nb3 s ARG 65 Ca 0.05 -0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 54.93 1nb3 s ARG 65 Cb -0.12 -3.04 0.08 0.00 -1.56 0.00 0.00 34.95 30.30 1nb3 s ARG 65 CO 0.02 0.61 0.73 0.00 -0.81 0.00 0.00 175.30 175.85 1nb3 s ALA 66 N -1.51 -1.79 0.00 6.12 0.00 -0.16 -0.84 121.76 123.58 1nb3 s ALA 66 Ca 0.35 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1nb3 s ALA 66 Cb -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1nb3 s ALA 66 CO 0.28 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1nb3 n GLY 67 N 1.55 0.51 0.00 0.00 0.00 -1.26 -3.49 105.19 102.49 1nb3 n GLY 67 Ca -0.16 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1nb3 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nb3 n ASP 68 N 7.28 0.00 -1.46 1.61 9.92 -1.26 -4.91 116.55 127.73 1nb3 n ASP 68 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1nb3 n ASP 68 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nb3 n ASP 68 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1nb3 n ASN 92 N 0.00 3.60 -4.75 -2.24 4.13 -1.26 -4.78 115.26 109.96 1nb3 n ASN 92 Ca 0.00 -1.93 -0.35 0.00 1.68 0.00 0.00 54.58 53.98 1nb3 n ASN 92 Cb 0.00 -0.73 -0.08 0.00 -1.54 0.00 0.00 39.78 37.43 1nb3 n ASN 92 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1nb3 s LYS 93 N 0.42 3.98 0.21 3.52 2.20 -1.23 -4.77 119.74 124.08 1nb3 s LYS 93 Ca 0.00 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.47 1nb3 s LYS 93 Cb 0.00 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1nb3 s LYS 93 CO 0.00 0.41 -0.14 0.71 -0.36 0.00 0.00 175.35 175.97 1nb3 s TYR 94 N 0.03 1.76 0.11 4.03 2.02 -1.16 -0.99 117.35 123.16 1nb3 s TYR 94 Ca 0.09 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 1nb3 s TYR 94 Cb -0.11 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 1nb3 s TYR 94 CO -0.00 0.38 0.06 1.41 -1.57 0.00 0.00 175.55 175.82 1nb3 s MET 95 N -3.64 0.86 -0.30 -0.62 1.75 0.37 -0.08 119.30 117.64 1nb3 s MET 95 Ca 0.23 -1.33 0.02 0.00 -1.25 0.00 0.00 55.69 53.36 1nb3 s MET 95 Cb -0.01 0.25 0.09 0.00 2.84 0.00 0.00 34.83 38.00 1nb3 s MET 95 CO 0.08 -0.24 0.03 -1.01 -0.65 0.00 0.00 175.02 173.23 1nb3 s HIS 96 N -4.00 2.86 0.15 4.11 3.76 0.17 -1.51 115.29 120.83 1nb3 s HIS 96 Ca 0.18 -2.32 -0.15 0.00 -0.15 0.00 0.00 55.06 52.61 1nb3 s HIS 96 Cb 0.07 -2.22 -0.07 0.00 1.11 0.00 0.00 32.58 31.47 1nb3 s HIS 96 CO -0.02 -0.88 0.57 -0.51 -0.85 0.00 0.00 174.74 173.04 1nb3 s LEU 97 N 1.22 4.36 -0.37 0.89 1.43 -0.08 -0.91 118.68 125.22 1nb3 s LEU 97 Ca 0.05 1.13 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1nb3 s LEU 97 Cb -0.19 -3.27 0.11 0.00 0.03 0.00 0.00 46.19 42.88 1nb3 s LEU 97 CO -0.12 0.11 0.12 -0.75 0.23 0.00 0.00 176.35 175.94 1nb3 s LYS 98 N -1.88 1.27 0.10 1.70 2.20 -0.83 -0.24 119.74 122.07 1nb3 s LYS 98 Ca 0.37 -1.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.25 1nb3 s LYS 98 Cb -0.16 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1nb3 s LYS 98 CO 0.19 -1.01 0.24 0.08 -0.36 0.00 0.00 175.35 174.49 1nb3 s VAL 99 N 0.89 5.33 -0.11 4.02 1.01 -0.69 -1.14 120.40 129.70 1nb3 s VAL 99 Ca 0.12 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1nb3 s VAL 99 Cb -0.20 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.52 1nb3 s VAL 99 CO -0.11 0.03 -0.19 0.12 0.00 0.00 0.00 175.10 174.95 1nb3 s PHE 100 N -1.62 2.24 -0.23 5.22 2.19 0.50 0.87 117.98 127.15 1nb3 s PHE 100 Ca 0.35 -1.02 -0.03 0.00 0.33 0.00 0.00 56.93 56.55 1nb3 s PHE 100 Cb -0.12 -1.56 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 1nb3 s PHE 100 CO 0.28 -0.48 -0.04 0.21 1.83 0.00 0.00 175.22 177.02 1nb3 s LYS 101 N 0.75 3.21 1.18 10.12 2.36 0.55 -2.19 119.74 135.72 1nb3 s LYS 101 Ca -0.11 -0.74 -0.14 0.00 -2.55 0.00 0.00 55.97 52.44 1nb3 s LYS 101 Cb -0.16 -3.03 0.29 0.00 -1.05 0.00 0.00 37.83 33.89 1nb3 s LYS 101 CO 0.01 -0.27 1.02 -1.54 1.55 0.00 0.00 175.35 176.13 1nb3 s SER 102 N 1.44 0.85 0.40 1.43 1.04 -1.26 -1.34 113.70 116.26 1nb3 s SER 102 Ca 0.04 1.39 -0.25 0.00 0.48 0.00 0.00 55.95 57.61 1nb3 s SER 102 Cb -0.15 -2.15 -0.08 0.00 0.10 0.00 0.00 66.02 63.74 1nb3 s SER 102 CO -0.03 -4.26 1.13 -0.76 0.98 0.00 0.00 173.24 170.29 1nb3 s LEU 102 N -7.23 4.16 0.59 2.42 1.43 -1.26 -4.77 118.68 114.03 1nb3 s LEU 102 Ca 0.68 2.24 0.31 0.00 -1.03 0.00 0.00 54.13 56.33 1nb3 s LEU 102 Cb -0.24 -4.09 1.21 0.00 0.03 0.00 0.00 46.19 43.10 1nb3 s LEU 102 CO 0.64 -0.63 1.51 -0.65 0.23 0.00 0.00 176.35 177.44 1nb3 h PRO 103 N 2.55 0.00 -6.64 1.29 0.11 -1.98 -3.39 132.00 123.94 1nb3 h PRO 103 Ca -0.49 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 1nb3 h PRO 103 Cb 1.23 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.37 1nb3 h PRO 103 CO 0.62 0.00 0.63 0.20 -0.21 0.00 0.00 178.00 179.25 1nb3 s GLY 104 N -3.64 2.44 0.16 -0.55 0.00 -1.26 -4.85 107.32 99.62 1nb3 s GLY 104 Ca -0.03 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1nb3 s GLY 104 CO 0.57 2.06 0.00 -1.06 0.00 0.00 0.00 173.10 174.67 1nb3 n GLN 105 N 2.87 -1.35 -3.44 2.90 3.00 -1.26 -4.84 117.38 115.25 1nb3 n GLN 105 Ca 0.07 0.91 -0.43 0.00 -0.01 0.00 0.00 57.00 57.54 1nb3 n GLN 105 Cb 0.43 -1.65 -0.09 0.00 0.00 0.00 0.00 30.24 28.93 1nb3 n GLN 105 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1nb3 s ASN 105 N -4.62 6.11 -0.13 1.08 2.47 -1.26 -5.01 114.94 113.57 1nb3 s ASN 105 Ca 0.00 -1.01 -0.24 0.00 0.42 0.00 0.00 52.86 52.03 1nb3 s ASN 105 Cb 0.00 -2.16 0.06 0.00 -1.45 0.00 0.00 41.25 37.69 1nb3 s ASN 105 CO 0.00 -0.50 0.60 -0.70 -3.72 0.00 0.00 177.10 172.78 1nb3 s GLU 106 N 1.67 0.84 0.00 0.43 2.12 -1.26 -5.17 118.70 117.32 1nb3 s GLU 106 Ca 0.05 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1nb3 s GLU 106 Cb -0.20 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1nb3 s GLU 106 CO 0.09 -0.19 0.00 -0.25 -0.54 0.00 0.00 175.26 174.37 1nb3 n ASP 107 N 1.87 0.00 -4.27 -1.70 8.00 -1.26 -4.82 116.55 114.37 1nb3 n ASP 107 Ca -0.17 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.01 1nb3 n ASP 107 Cb 0.56 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.51 1nb3 n ASP 107 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nb3 s LEU 108 N 0.00 2.39 -0.10 0.64 1.02 -1.26 -4.23 118.68 117.13 1nb3 s LEU 108 Ca 0.00 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 53.62 1nb3 s LEU 108 Cb 0.00 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1nb3 s LEU 108 CO 0.00 0.13 0.15 -0.69 0.02 0.00 0.00 176.35 175.96 1nb3 s VAL 109 N 0.54 5.48 -0.20 -1.59 1.01 -0.93 -4.90 120.40 119.81 1nb3 s VAL 109 Ca -0.11 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1nb3 s VAL 109 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1nb3 s VAL 109 CO 0.04 0.56 0.70 -0.22 0.00 0.00 0.00 175.10 176.18 1nb3 s LEU 110 N -1.20 4.14 0.00 3.92 2.96 -1.26 -0.37 118.68 126.87 1nb3 s LEU 110 Ca 0.17 0.92 0.14 0.00 -0.22 0.00 0.00 54.13 55.14 1nb3 s LEU 110 Cb -0.12 -2.99 0.10 0.00 0.50 0.00 0.00 46.19 43.68 1nb3 s LEU 110 CO 0.07 -0.34 0.93 0.35 -1.32 0.00 0.00 176.35 176.04 1nb3 n THR 111 N 4.82 0.00 0.00 3.68 -2.24 -0.29 -4.96 114.28 115.28 1nb3 n THR 111 Ca 0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1nb3 n THR 111 Cb 0.49 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1nb3 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nb3 n GLY 112 N 0.80 0.82 3.45 3.38 0.00 -1.21 -5.03 105.19 107.41 1nb3 n GLY 112 Ca 0.08 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1nb3 n GLY 112 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nb3 s TYR 113 N -2.00 -0.49 -0.05 1.61 -0.85 -1.26 -1.97 117.35 112.34 1nb3 s TYR 113 Ca 0.00 0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 56.80 1nb3 s TYR 113 Cb 0.00 0.56 0.02 0.00 0.38 0.00 0.00 41.96 42.92 1nb3 s TYR 113 CO 0.00 -0.79 0.13 -0.65 -1.52 0.00 0.00 175.55 172.72 1nb3 s GLN 114 N -3.61 0.13 0.38 -3.49 -0.21 -0.09 -4.96 119.66 107.81 1nb3 s GLN 114 Ca 0.02 0.22 0.08 0.00 0.02 0.00 0.00 55.36 55.71 1nb3 s GLN 114 Cb -0.01 -0.00 -0.07 0.00 1.00 0.00 0.00 33.01 33.93 1nb3 s GLN 114 CO -0.12 -0.06 -0.01 0.08 -2.12 0.00 0.00 175.29 173.06 1nb3 s VAL 115 N 0.37 2.20 -1.10 1.09 1.01 -1.26 0.46 120.40 123.17 1nb3 s VAL 115 Ca -0.03 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.85 1nb3 s VAL 115 Cb -0.04 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1nb3 s VAL 115 CO -0.02 -0.10 0.95 0.47 0.00 0.00 0.00 175.10 176.41 1nb3 n ASP 115 N -0.93 -4.83 -4.90 3.32 8.00 -1.08 -4.96 116.55 111.18 1nb3 n ASP 115 Ca -0.05 -0.46 -0.31 0.00 0.71 0.00 0.00 54.79 54.68 1nb3 n ASP 115 Cb 0.65 -4.30 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 1nb3 n ASP 115 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nb3 s LYS 116 N -5.88 3.63 0.40 -1.24 1.02 0.89 -4.94 119.74 113.62 1nb3 s LYS 116 Ca 0.38 -0.07 -0.16 0.00 0.02 0.00 0.00 55.97 56.13 1nb3 s LYS 116 Cb -0.17 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.24 1nb3 s LYS 116 CO 0.61 0.43 0.84 -0.80 -0.92 0.00 0.00 175.35 175.51 1nb3 s ASN 117 N -2.54 6.75 0.55 2.83 -0.87 -1.26 -2.97 114.94 117.43 1nb3 s ASN 117 Ca 0.42 1.42 0.34 0.00 -1.57 0.00 0.00 52.86 53.46 1nb3 s ASN 117 Cb -0.12 -2.43 1.50 0.00 -0.02 0.00 0.00 41.25 40.18 1nb3 s ASN 117 CO 0.25 -0.35 1.83 0.50 -2.57 0.00 0.00 177.10 176.77 1nb3 h LYS 118 N 1.75 0.00 0.00 -0.60 3.64 -1.97 -1.60 116.57 117.79 1nb3 h LYS 118 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1nb3 h LYS 118 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1nb3 h LYS 118 CO 0.63 0.00 -1.67 -0.25 -2.27 0.00 0.00 179.45 175.90 1nb3 n ASP 119 N -4.14 0.28 -4.70 4.20 8.00 -1.26 -4.99 116.55 113.94 1nb3 n ASP 119 Ca 0.21 0.03 -0.64 0.00 0.71 0.00 0.00 54.79 55.10 1nb3 n ASP 119 Cb 1.08 1.52 -0.09 0.00 -0.02 0.00 0.00 41.12 43.61 1nb3 n ASP 119 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nb3 n ASP 120 N -2.31 1.34 -4.66 -2.24 10.43 -0.61 -4.86 116.55 113.65 1nb3 n ASP 120 Ca -0.02 1.16 -0.38 0.00 2.57 0.00 0.00 54.79 58.12 1nb3 n ASP 120 Cb 0.55 -0.96 0.06 0.00 1.84 0.00 0.00 41.12 42.61 1nb3 n ASP 120 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1nb3 n GLU 121 N 3.92 1.01 -3.07 -1.24 2.13 -1.26 -4.93 120.64 117.19 1nb3 n GLU 121 Ca 0.28 0.39 -0.45 0.00 0.66 0.00 0.00 57.16 58.04 1nb3 n GLU 121 Cb 0.01 -2.30 -0.04 0.00 0.27 0.00 0.00 31.44 29.39 1nb3 n GLU 121 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1nb3 s LEU 122 N -2.77 5.39 0.11 4.31 1.43 -1.26 -5.03 118.68 120.86 1nb3 s LEU 122 Ca 0.78 -1.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1nb3 s LEU 122 Cb -0.41 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1nb3 s LEU 122 CO 0.45 -1.07 0.30 0.28 0.23 0.00 0.00 176.35 176.54 1nb3 s THR 123 N 2.51 5.28 0.51 5.49 -1.32 -1.26 -5.00 115.64 121.85 1nb3 s THR 123 Ca 0.18 -0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 60.20 1nb3 s THR 123 Cb -0.17 -3.65 -0.06 0.00 -1.51 0.00 0.00 72.50 67.11 1nb3 s THR 123 CO 0.01 0.05 1.23 -0.83 -2.21 0.00 0.00 174.62 172.88 1nb3 s GLY 124 N -2.59 2.80 0.00 6.08 0.00 -1.26 -5.07 107.32 107.28 1nb3 s GLY 124 Ca 0.38 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1nb3 s GLY 124 CO 0.27 1.53 0.00 1.97 0.00 0.00 0.00 173.10 176.87