#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr s LYS 11 N 0.00 4.18 -0.39 1.45 2.20 -1.25 -4.78 119.74 121.15 1syr s LYS 11 Ca 0.00 2.46 -0.13 0.00 -0.36 0.00 0.00 55.97 57.94 1syr s LYS 11 Cb 0.00 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1syr s LYS 11 CO 0.00 -0.59 0.26 0.42 -0.36 0.00 0.00 175.35 175.08 1syr s ILE 12 N 0.45 5.06 0.16 5.43 1.01 -1.26 0.32 121.20 132.37 1syr s ILE 12 Ca 0.66 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 60.35 1syr s ILE 12 Cb -0.46 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 1syr s ILE 12 CO 0.40 -0.24 1.40 -0.69 0.00 0.00 0.00 174.94 175.82 1syr s VAL 13 N 1.65 3.09 -1.01 2.92 1.01 -0.18 -4.94 120.40 122.93 1syr s VAL 13 Ca 0.04 0.82 0.09 0.00 0.00 0.00 0.00 61.98 62.93 1syr s VAL 13 Cb -0.19 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1syr s VAL 13 CO 0.09 0.09 0.71 0.35 0.00 0.00 0.00 175.10 176.34 1syr n THR 14 N 3.40 0.00 -3.78 3.92 -2.24 -1.26 -4.54 114.28 109.78 1syr n THR 14 Ca 0.10 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 1syr n THR 14 Cb 0.42 1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 1syr n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 15 N -0.92 -0.09 0.17 3.42 1.04 -1.26 -4.84 113.70 111.20 1syr s SER 15 Ca 0.09 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.93 1syr s SER 15 Cb 0.07 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1syr s SER 15 CO 0.15 -0.87 1.44 -0.61 0.98 0.00 0.00 173.24 174.33 1syr h GLN 16 N 2.47 0.57 -0.55 4.02 4.15 -1.95 -2.02 115.11 121.79 1syr h GLN 16 Ca -0.33 -0.41 -0.05 0.00 0.77 0.00 0.00 58.65 58.63 1syr h GLN 16 Cb 1.24 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 1syr h GLN 16 CO 0.48 1.03 0.14 0.00 -1.93 0.00 0.00 178.83 178.55 1syr h ALA 17 N 0.86 1.21 -0.19 3.38 0.00 -1.99 0.23 119.26 122.77 1syr h ALA 17 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1syr h ALA 17 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1syr h ALA 17 CO 0.12 0.54 -0.50 1.49 0.00 0.00 0.00 179.25 180.90 1syr h GLU 18 N 0.81 0.68 -0.08 0.00 4.81 -1.94 -2.09 114.58 116.77 1syr h GLU 18 Ca 0.18 -0.47 0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1syr h GLU 18 Cb 0.29 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1syr h GLU 18 CO -0.00 1.10 -0.17 0.35 -0.73 0.00 0.00 179.01 179.55 1syr h PHE 19 N 0.37 -0.44 -0.88 0.92 3.57 -1.14 -1.13 116.94 118.20 1syr h PHE 19 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1syr h PHE 19 Cb 1.12 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 1syr h PHE 19 CO 0.09 -0.24 0.51 -0.44 -2.23 0.00 0.00 178.31 176.00 1syr h ASP 20 N -0.24 1.08 -0.26 0.41 3.32 -0.90 -2.42 116.42 117.41 1syr h ASP 20 Ca 0.08 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1syr h ASP 20 Cb 0.35 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1syr h ASP 20 CO -0.22 0.85 0.00 -1.28 -1.72 0.00 0.00 179.24 176.87 1syr h SER 21 N 1.22 0.45 -0.01 6.45 0.87 -1.14 -2.31 113.55 119.08 1syr h SER 21 Ca 0.31 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1syr h SER 21 Cb -0.02 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1syr h SER 21 CO -0.06 0.65 0.00 0.40 -0.53 0.00 0.00 176.83 177.30 1syr h ILE 22 N 0.24 1.20 -0.92 2.23 2.04 -1.03 -1.78 117.51 119.49 1syr h ILE 22 Ca 0.07 -0.59 0.13 0.00 1.00 0.00 0.00 64.86 65.47 1syr h ILE 22 Cb 0.42 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 1syr h ILE 22 CO 0.01 0.16 0.59 0.40 0.00 0.00 0.00 178.15 179.31 1syr h ILE 23 N -0.22 0.88 0.00 -0.67 5.03 -1.45 -2.35 117.51 118.73 1syr h ILE 23 Ca 0.00 -0.28 -0.05 0.00 -0.12 0.00 0.00 64.86 64.42 1syr h ILE 23 Cb 0.25 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.03 1syr h ILE 23 CO 0.00 0.15 -1.41 -1.54 -0.68 0.00 0.00 178.15 174.67 1syr n SER 24 N -4.57 0.60 -1.15 1.72 3.41 -0.87 -3.08 113.62 109.67 1syr n SER 24 Ca 0.17 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1syr n SER 24 Cb 0.41 0.81 0.22 0.00 -0.26 0.00 0.00 64.21 65.39 1syr n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1syr n GLN 25 N -2.62 2.51 -4.22 4.33 6.02 -0.67 -4.80 117.38 117.92 1syr n GLN 25 Ca -0.05 -2.28 -0.19 0.00 -0.01 0.00 0.00 57.00 54.48 1syr n GLN 25 Cb 0.64 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 30.23 1syr n GLN 25 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1syr s ASN 26 N -1.50 0.90 0.23 1.08 0.01 -0.90 -5.03 114.94 109.73 1syr s ASN 26 Ca 0.39 -0.13 -0.08 0.00 -0.71 0.00 0.00 52.86 52.32 1syr s ASN 26 Cb 0.23 -0.31 0.21 0.00 0.41 0.00 0.00 41.25 41.79 1syr s ASN 26 CO 0.32 0.01 1.90 -0.08 -1.51 0.00 0.00 177.10 177.73 1syr h GLU 27 N 6.66 1.11 -3.83 -0.60 4.81 -1.89 -3.41 114.58 117.43 1syr h GLU 27 Ca -0.35 -0.07 -0.53 0.00 -0.13 0.00 0.00 59.36 58.28 1syr h GLU 27 Cb 1.17 -0.25 -0.39 0.00 0.63 0.00 0.00 28.75 29.91 1syr h GLU 27 CO 0.49 0.73 -0.77 -1.17 -0.73 0.00 0.00 179.01 177.55 1syr s LEU 28 N -10.14 1.45 -0.06 1.64 2.96 -1.26 -1.50 118.68 111.77 1syr s LEU 28 Ca -0.13 -0.78 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1syr s LEU 28 Cb 0.16 -0.75 0.00 0.00 0.50 0.00 0.00 46.19 46.11 1syr s LEU 28 CO 0.79 -0.26 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.72 1syr s VAL 29 N 1.74 1.40 -0.09 1.68 1.01 -0.71 -0.34 120.40 125.10 1syr s VAL 29 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1syr s VAL 29 Cb -0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1syr s VAL 29 CO -0.07 0.41 -0.01 -0.51 0.00 0.00 0.00 175.10 174.92 1syr s ILE 30 N 0.37 4.20 -0.03 2.22 2.07 0.53 0.37 121.20 130.94 1syr s ILE 30 Ca -0.11 -0.29 0.03 0.00 -1.41 0.00 0.00 60.65 58.87 1syr s ILE 30 Cb -0.15 -2.76 -0.00 0.00 0.13 0.00 0.00 42.46 39.68 1syr s ILE 30 CO 0.04 0.60 -0.13 0.54 -1.91 0.00 0.00 174.94 174.08 1syr s VAL 31 N -0.82 1.05 -0.34 4.00 0.11 0.46 -1.17 120.40 123.68 1syr s VAL 31 Ca 0.12 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 1syr s VAL 31 Cb -0.11 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1syr s VAL 31 CO 0.02 0.31 0.17 -0.62 -3.33 0.00 0.00 175.10 171.65 1syr s ASP 32 N 0.00 5.59 -0.50 3.54 2.15 -0.53 -1.56 116.67 125.36 1syr s ASP 32 Ca -0.01 -0.82 -0.23 0.00 0.43 0.00 0.00 52.55 51.92 1syr s ASP 32 Cb -0.08 -1.99 0.04 0.00 -0.30 0.00 0.00 42.92 40.58 1syr s ASP 32 CO 0.01 -0.30 0.81 -0.36 -0.17 0.00 0.00 175.17 175.16 1syr s PHE 33 N 1.56 2.92 0.38 -5.34 0.08 0.49 -0.83 117.98 117.24 1syr s PHE 33 Ca 0.03 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.06 1syr s PHE 33 Cb -0.18 -3.79 -0.06 0.00 -0.57 0.00 0.00 43.02 38.41 1syr s PHE 33 CO 0.06 -1.14 0.04 -0.59 -0.10 0.00 0.00 175.22 173.49 1syr s PHE 34 N 3.41 2.17 -0.03 0.36 -0.71 0.42 -2.80 117.98 120.80 1syr s PHE 34 Ca 0.27 -0.87 -0.23 0.00 -1.04 0.00 0.00 56.93 55.07 1syr s PHE 34 Cb -0.14 -1.51 0.05 0.00 -1.21 0.00 0.00 43.02 40.21 1syr s PHE 34 CO 0.19 0.18 0.49 0.00 -1.34 0.00 0.00 175.22 174.74 1syr s ALA 35 N -3.02 -1.26 -0.03 1.99 0.00 -1.26 -0.55 121.76 117.64 1syr s ALA 35 Ca 0.32 0.79 0.31 0.00 0.00 0.00 0.00 51.96 53.38 1syr s ALA 35 Cb 0.08 0.06 1.33 0.00 0.00 0.00 0.00 23.12 24.59 1syr s ALA 35 CO 0.15 -0.32 1.93 0.93 0.00 0.00 0.00 175.76 178.45 1syr h GLU 36 N 3.42 0.00 -0.06 0.00 4.39 -2.00 -1.84 114.58 118.49 1syr h GLU 36 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1syr h GLU 36 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1syr h GLU 36 CO 0.40 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.58 1syr n TRP 37 N -2.83 0.07 -3.94 4.33 4.27 -1.26 -4.81 117.44 113.28 1syr n TRP 37 Ca 0.01 -0.04 -0.35 0.00 -3.89 0.00 0.00 57.50 53.23 1syr n TRP 37 Cb 0.26 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.07 1syr n TRP 37 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1syr h GLY 39 N 8.01 -0.50 -0.49 0.00 0.00 -1.87 -2.83 103.07 105.39 1syr h GLY 39 Ca -0.28 0.19 0.26 0.00 0.00 0.00 0.00 47.33 47.49 1syr h GLY 39 CO 0.56 -0.18 0.31 -2.55 0.00 0.00 0.00 176.54 174.68 1syr h PRO 40 N -0.76 0.22 -0.43 4.80 0.11 -1.95 -0.28 132.00 133.71 1syr h PRO 40 Ca -0.05 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.12 1syr h PRO 40 Cb 0.51 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.51 1syr h PRO 40 CO 0.08 0.15 0.05 0.00 -0.21 0.00 0.00 178.00 178.07 1syr h LYS 42 N 0.17 0.61 -0.66 0.00 1.57 -0.90 -2.52 116.57 114.84 1syr h LYS 42 Ca 0.21 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1syr h LYS 42 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1syr h LYS 42 CO -0.31 0.72 0.16 0.00 -0.57 0.00 0.00 179.45 179.45 1syr h ARG 43 N 0.56 1.05 0.00 3.15 3.08 -0.97 -3.14 114.38 118.11 1syr h ARG 43 Ca 0.10 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1syr h ARG 43 Cb 0.54 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1syr h ARG 43 CO 0.03 0.94 -0.30 1.51 -1.07 0.00 0.00 179.97 181.09 1syr n ILE 44 N -4.29 0.08 -0.13 2.04 3.06 -1.00 -4.23 119.36 114.89 1syr n ILE 44 Ca 0.04 -0.05 -0.05 0.00 -2.50 0.00 0.00 62.75 60.19 1syr n ILE 44 Cb 0.25 -0.13 0.01 0.00 0.54 0.00 0.00 39.64 40.31 1syr n ILE 44 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1syr h ALA 45 N 2.91 0.10 -0.55 1.51 0.00 -1.40 -2.06 119.26 119.77 1syr h ALA 45 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1syr h ALA 45 Cb 0.55 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1syr h ALA 45 CO 0.00 -0.56 0.18 -1.35 0.00 0.00 0.00 179.25 177.51 1syr h PRO 46 N -0.12 0.83 -0.30 0.00 0.11 -1.78 -1.62 132.00 129.11 1syr h PRO 46 Ca 0.21 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 1syr h PRO 46 Cb 0.44 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1syr h PRO 46 CO -0.51 0.71 -0.16 0.35 -0.21 0.00 0.00 178.00 178.19 1syr h PHE 47 N 0.81 0.58 -0.19 0.65 3.57 -1.71 -1.33 116.94 119.32 1syr h PHE 47 Ca 0.18 -0.10 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 1syr h PHE 47 Cb 0.23 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1syr h PHE 47 CO 0.01 0.67 -0.62 -0.92 -2.23 0.00 0.00 178.31 175.22 1syr h TYR 48 N 0.49 0.84 -0.40 0.41 3.20 -0.87 -1.39 116.97 119.25 1syr h TYR 48 Ca 0.08 -0.32 -0.12 0.00 3.14 0.00 0.00 58.73 61.52 1syr h TYR 48 Cb 0.55 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1syr h TYR 48 CO 0.02 1.10 -0.22 1.49 -1.64 0.00 0.00 178.16 178.91 1syr h GLU 49 N 0.49 0.79 -0.51 1.82 4.81 -1.01 -1.90 114.58 119.07 1syr h GLU 49 Ca -0.01 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1syr h GLU 49 Cb 1.20 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1syr h GLU 49 CO 0.12 0.94 0.14 1.49 -0.73 0.00 0.00 179.01 180.97 1syr h GLU 50 N 0.69 0.81 -0.75 1.92 4.57 -1.14 -3.06 114.58 117.61 1syr h GLU 50 Ca 0.09 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 1syr h GLU 50 Cb 0.74 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 1syr h GLU 50 CO 0.06 0.77 0.24 0.00 -1.18 0.00 0.00 179.01 178.89 1syr h SER 52 N 1.12 0.00 -0.18 0.00 4.64 -1.25 0.07 113.55 117.95 1syr h SER 52 Ca 0.24 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.36 1syr h SER 52 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1syr h SER 52 CO -0.01 0.00 -0.68 0.11 -0.87 0.00 0.00 176.83 175.38 1syr h LYS 53 N 0.00 0.78 0.05 4.77 1.57 -1.32 -3.37 116.57 119.04 1syr h LYS 53 Ca 0.07 -0.60 -0.34 0.00 -1.87 0.00 0.00 60.65 57.91 1syr h LYS 53 Cb 0.31 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1syr h LYS 53 CO -0.00 1.21 -2.00 0.25 -0.57 0.00 0.00 179.45 178.34 1syr n THR 54 N -4.00 1.65 -1.96 -0.16 -2.24 -0.97 -4.51 114.28 102.08 1syr n THR 54 Ca -0.07 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 1syr n THR 54 Cb 0.69 -1.32 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1syr n THR 54 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1syr n TYR 55 N -3.23 3.09 0.30 4.78 4.01 -0.03 -4.77 117.16 121.32 1syr n TYR 55 Ca -0.28 -2.90 0.19 0.00 -0.16 0.00 0.00 57.90 54.75 1syr n TYR 55 Cb 1.05 -2.24 0.86 0.00 -0.31 0.00 0.00 39.34 38.70 1syr n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1syr h THR 56 N 3.67 0.00 -0.23 -0.72 1.03 -1.79 -2.80 112.91 112.07 1syr h THR 56 Ca 0.54 -0.34 -0.02 0.00 -0.01 0.00 0.00 66.41 66.58 1syr h THR 56 Cb 0.57 1.33 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1syr h THR 56 CO 1.74 0.00 0.03 2.29 -0.01 0.00 0.00 175.52 179.57 1syr n LYS 57 N -3.07 2.31 -3.85 0.00 2.85 -1.26 -4.77 118.16 110.37 1syr n LYS 57 Ca -0.01 -1.14 -0.12 0.00 -1.05 0.00 0.00 58.31 55.99 1syr n LYS 57 Cb 0.23 -1.74 -0.14 0.00 -0.65 0.00 0.00 35.03 32.73 1syr n LYS 57 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1syr s MET 58 N -1.59 0.02 -0.16 -1.58 1.75 -1.06 -4.72 119.30 111.96 1syr s MET 58 Ca 0.20 0.04 -0.20 0.00 -1.25 0.00 0.00 55.69 54.49 1syr s MET 58 Cb 0.15 -0.01 -0.03 0.00 2.84 0.00 0.00 34.83 37.78 1syr s MET 58 CO 0.06 -0.02 0.55 0.08 -0.65 0.00 0.00 175.02 175.04 1syr s VAL 59 N 0.11 5.10 -0.21 10.11 1.01 0.54 -4.95 120.40 132.12 1syr s VAL 59 Ca -0.01 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 1syr s VAL 59 Cb -0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1syr s VAL 59 CO -0.00 0.22 0.10 -0.36 0.00 0.00 0.00 175.10 175.05 1syr s PHE 60 N 1.27 3.26 0.14 5.22 0.40 -1.26 -0.35 117.98 126.66 1syr s PHE 60 Ca 0.27 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.72 1syr s PHE 60 Cb -0.16 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1syr s PHE 60 CO 0.11 0.08 -0.09 0.96 0.70 0.00 0.00 175.22 176.98 1syr s ILE 61 N 0.70 1.04 -0.05 0.64 -4.36 -0.32 -3.88 121.20 114.98 1syr s ILE 61 Ca 0.05 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1syr s ILE 61 Cb -0.13 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1syr s ILE 61 CO 0.02 -0.77 -0.18 -0.54 0.24 0.00 0.00 174.94 173.71 1syr s LYS 62 N -3.77 2.51 -0.12 0.37 1.02 0.15 -1.46 119.74 118.44 1syr s LYS 62 Ca 0.16 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1syr s LYS 62 Cb 0.03 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1syr s LYS 62 CO -0.01 0.55 -0.16 0.08 -0.92 0.00 0.00 175.35 174.89 1syr s VAL 63 N -0.54 1.61 -0.39 3.17 1.01 -0.01 -1.02 120.40 124.23 1syr s VAL 63 Ca 0.07 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 1syr s VAL 63 Cb -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1syr s VAL 63 CO 0.01 0.46 0.98 -0.62 0.00 0.00 0.00 175.10 175.93 1syr s ASP 64 N 1.00 6.69 0.53 3.32 -1.08 -1.26 -0.43 116.67 125.42 1syr s ASP 64 Ca -0.06 0.58 0.26 0.00 -0.52 0.00 0.00 52.55 52.80 1syr s ASP 64 Cb -0.15 -2.49 1.39 0.00 -1.46 0.00 0.00 42.92 40.21 1syr s ASP 64 CO -0.02 -0.94 1.98 -0.37 0.52 0.00 0.00 175.17 176.34 1syr h VAL 65 N 5.90 0.72 0.09 1.11 -1.51 -1.16 -0.60 116.25 120.80 1syr h VAL 65 Ca -0.23 -0.01 -0.33 0.00 -1.23 0.00 0.00 66.70 64.90 1syr h VAL 65 Cb 1.07 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.90 1syr h VAL 65 CO 1.02 0.00 -1.84 0.44 -1.23 0.00 0.00 177.57 175.96 1syr h ASP 66 N 0.02 0.29 -0.44 4.19 3.32 -1.92 -3.04 116.42 118.85 1syr h ASP 66 Ca 0.28 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1syr h ASP 66 Cb 1.09 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1syr h ASP 66 CO -0.01 1.54 0.29 -0.08 -1.72 0.00 0.00 179.24 179.26 1syr h GLU 67 N 0.05 0.57 -1.99 3.56 4.81 -1.63 -3.19 114.58 116.77 1syr h GLU 67 Ca -0.35 -0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.19 1syr h GLU 67 Cb 2.03 -0.13 -0.37 0.00 0.63 0.00 0.00 28.75 30.91 1syr h GLU 67 CO 0.10 0.38 -0.16 0.28 -0.73 0.00 0.00 179.01 178.88 1syr n VAL 68 N -4.79 3.41 -0.34 0.32 0.31 -0.35 -4.86 118.33 112.04 1syr n VAL 68 Ca 0.01 -5.25 0.16 0.00 -0.01 0.00 0.00 64.34 59.25 1syr n VAL 68 Cb 0.03 -1.36 0.31 0.00 -0.91 0.00 0.00 33.84 31.91 1syr n VAL 68 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1syr n SER 69 N -0.34 -0.07 -0.25 4.52 2.88 -1.15 -1.05 113.62 118.16 1syr n SER 69 Ca 0.40 1.66 -0.01 0.00 -1.33 0.00 0.00 58.87 59.58 1syr n SER 69 Cb 0.44 -0.62 0.10 0.00 -0.75 0.00 0.00 64.21 63.37 1syr n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1syr h GLU 70 N 0.00 0.73 -0.04 -1.46 3.07 -1.89 -1.73 114.58 113.27 1syr h GLU 70 Ca 0.62 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.43 1syr h GLU 70 Cb 1.31 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1syr h GLU 70 CO -0.91 0.49 -0.00 0.28 -1.40 0.00 0.00 179.01 177.47 1syr h VAL 71 N 0.76 1.25 -0.64 3.13 2.07 -1.47 -3.09 116.25 118.26 1syr h VAL 71 Ca 0.31 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1syr h VAL 71 Cb 0.16 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1syr h VAL 71 CO -0.17 0.21 0.42 0.71 0.02 0.00 0.00 177.57 178.76 1syr h THR 72 N -0.24 1.05 -0.28 2.57 1.35 -0.83 0.08 112.91 116.61 1syr h THR 72 Ca 0.01 -0.24 -0.18 0.00 -0.55 0.00 0.00 66.41 65.44 1syr h THR 72 Cb 0.33 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1syr h THR 72 CO 0.00 0.13 -0.54 -0.33 -0.25 0.00 0.00 175.52 174.53 1syr h GLU 73 N 0.71 0.85 0.00 4.72 4.39 -1.40 -2.15 114.58 121.70 1syr h GLU 73 Ca 0.26 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 59.34 1syr h GLU 73 Cb 0.15 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1syr h GLU 73 CO -0.08 1.17 -0.44 0.87 -1.16 0.00 0.00 179.01 179.37 1syr h LYS 74 N 0.65 0.00 -0.29 2.33 1.57 -1.23 -3.09 116.57 116.51 1syr h LYS 74 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1syr h LYS 74 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1syr h LYS 74 CO 0.12 0.44 0.00 0.39 -0.57 0.00 0.00 179.45 179.83 1syr n GLU 75 N -3.94 2.24 -3.54 3.15 -0.58 -0.07 -4.99 120.64 112.90 1syr n GLU 75 Ca -0.02 -1.86 -0.22 0.00 -0.42 0.00 0.00 57.16 54.65 1syr n GLU 75 Cb 0.47 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.90 1syr n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1syr n ASN 76 N 1.09 -5.88 -4.51 1.62 5.15 -0.82 -4.94 115.26 106.97 1syr n ASN 76 Ca 0.18 -0.77 -0.42 0.00 -0.60 0.00 0.00 54.58 52.97 1syr n ASN 76 Cb 0.51 -3.50 -0.08 0.00 -0.53 0.00 0.00 39.78 36.18 1syr n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1syr s ILE 77 N -3.23 5.00 -0.13 -1.44 -1.09 -1.17 -4.96 121.20 114.17 1syr s ILE 77 Ca 0.25 -0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.52 1syr s ILE 77 Cb -0.09 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1syr s ILE 77 CO 0.84 -0.41 -0.19 0.35 -1.23 0.00 0.00 174.94 174.30 1syr n THR 78 N 5.54 1.29 -3.70 2.92 -2.24 -1.26 -5.01 114.28 111.82 1syr n THR 78 Ca -0.05 0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.73 1syr n THR 78 Cb 0.48 -2.29 -0.02 0.00 -2.10 0.00 0.00 70.33 66.40 1syr n THR 78 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 79 N -5.55 4.83 -0.04 3.42 1.04 -1.26 -5.13 113.70 111.00 1syr s SER 79 Ca -0.16 -0.99 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 1syr s SER 79 Cb 0.02 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.10 1syr s SER 79 CO 0.23 -0.90 0.05 -0.32 0.98 0.00 0.00 173.24 173.29 1syr s MET 80 N -4.22 0.02 0.70 4.02 1.75 -1.26 -3.87 119.30 116.43 1syr s MET 80 Ca 0.43 0.34 -0.06 0.00 -1.25 0.00 0.00 55.69 55.14 1syr s MET 80 Cb -0.02 -0.57 0.06 0.00 2.84 0.00 0.00 34.83 37.14 1syr s MET 80 CO 0.26 -0.32 1.01 -1.25 -0.65 0.00 0.00 175.02 174.06 1syr s PRO 81 N 2.11 2.22 -0.04 4.11 0.04 -1.26 -4.76 135.00 137.42 1syr s PRO 81 Ca 0.05 -0.27 0.03 0.00 0.04 0.00 0.00 61.00 60.85 1syr s PRO 81 Cb -0.12 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1syr s PRO 81 CO -0.03 -1.22 -0.14 0.99 0.04 0.00 0.00 177.00 176.64 1syr s THR 82 N -3.23 1.18 -0.14 1.26 2.01 -1.12 -1.84 115.64 113.76 1syr s THR 82 Ca 0.60 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1syr s THR 82 Cb -0.11 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1syr s THR 82 CO 0.44 0.35 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.31 1syr s PHE 83 N 0.15 3.00 0.00 4.92 0.40 0.43 -0.38 117.98 126.50 1syr s PHE 83 Ca -0.04 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1syr s PHE 83 Cb -0.11 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1syr s PHE 83 CO 0.02 0.00 -0.19 0.15 0.70 0.00 0.00 175.22 175.90 1syr s LYS 84 N 0.19 1.45 -0.02 0.44 1.02 -0.60 0.52 119.74 122.75 1syr s LYS 84 Ca -0.03 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.29 1syr s LYS 84 Cb -0.14 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.70 1syr s LYS 84 CO 0.03 0.39 -0.22 0.54 -0.92 0.00 0.00 175.35 175.17 1syr s VAL 85 N -0.55 2.43 -0.06 3.17 0.11 0.22 -0.41 120.40 125.31 1syr s VAL 85 Ca 0.07 -1.04 0.04 0.00 -2.93 0.00 0.00 61.98 58.13 1syr s VAL 85 Cb -0.08 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1syr s VAL 85 CO -0.00 0.54 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.80 1syr s TYR 86 N -0.70 2.57 -0.15 1.54 1.51 0.16 -0.38 117.35 121.90 1syr s TYR 86 Ca 0.11 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1syr s TYR 86 Cb -0.10 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1syr s TYR 86 CO 0.00 -0.08 -0.13 0.21 -1.11 0.00 0.00 175.55 174.44 1syr s LYS 87 N -0.28 2.19 -1.56 -0.62 2.20 -0.50 -1.74 119.74 119.44 1syr s LYS 87 Ca 0.01 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 1syr s LYS 87 Cb -0.13 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 34.14 1syr s LYS 87 CO 0.03 -0.25 0.45 0.09 -0.36 0.00 0.00 175.35 175.30 1syr n ASN 88 N 4.79 -5.77 0.00 1.43 3.02 -0.56 -2.79 115.26 115.38 1syr n ASN 88 Ca -0.16 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1syr n ASN 88 Cb 0.50 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 1syr n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1syr n GLY 89 N -1.36 0.80 3.42 7.41 0.00 -1.18 -4.96 105.19 109.33 1syr n GLY 89 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1syr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1syr s SER 90 N -2.79 3.69 0.06 1.61 0.01 -1.12 -4.87 113.70 110.30 1syr s SER 90 Ca 0.00 -0.29 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 1syr s SER 90 Cb 0.00 -0.67 -0.07 0.00 0.21 0.00 0.00 66.02 65.49 1syr s SER 90 CO 0.00 0.34 1.41 -0.55 0.41 0.00 0.00 173.24 174.85 1syr s SER 91 N -0.70 6.82 -0.04 2.44 0.15 -1.26 -1.40 113.70 119.71 1syr s SER 91 Ca 0.11 2.24 0.01 0.00 0.70 0.00 0.00 55.95 59.01 1syr s SER 91 Cb -0.10 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 1syr s SER 91 CO 0.00 -0.69 -0.03 0.52 1.20 0.00 0.00 173.24 174.23 1syr n VAL 92 N 4.31 0.25 -3.85 4.45 0.31 0.49 -4.94 118.33 119.34 1syr n VAL 92 Ca 0.12 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1syr n VAL 92 Cb 0.43 -0.68 -0.10 0.00 -0.91 0.00 0.00 33.84 32.58 1syr n VAL 92 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1syr s ASP 93 N -4.30 -0.03 -0.07 4.52 -1.08 -1.19 -5.00 116.67 109.51 1syr s ASP 93 Ca -0.05 -0.10 -0.03 0.00 -0.52 0.00 0.00 52.55 51.84 1syr s ASP 93 Cb 0.01 0.24 0.04 0.00 -1.46 0.00 0.00 42.92 41.75 1syr s ASP 93 CO 0.10 -0.35 0.16 0.28 0.52 0.00 0.00 175.17 175.89 1syr s THR 94 N -1.22 -0.05 -0.11 1.71 -1.32 -1.26 -0.61 115.64 112.79 1syr s THR 94 Ca -0.13 0.17 0.04 0.00 -1.21 0.00 0.00 61.69 60.55 1syr s THR 94 Cb -0.07 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.67 1syr s THR 94 CO 0.02 0.07 -0.23 -0.22 -2.21 0.00 0.00 174.62 172.05 1syr s LEU 95 N 1.13 2.07 0.02 9.08 2.96 0.18 -4.98 118.68 129.14 1syr s LEU 95 Ca -0.09 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.20 1syr s LEU 95 Cb -0.11 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 1syr s LEU 95 CO -0.06 0.14 0.29 -0.76 -1.32 0.00 0.00 176.35 174.63 1syr s LEU 96 N 0.46 4.37 0.00 -0.68 1.43 -1.26 -0.43 118.68 122.57 1syr s LEU 96 Ca -0.16 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1syr s LEU 96 Cb -0.17 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1syr s LEU 96 CO 0.06 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1syr n GLY 97 N 1.07 -0.03 2.81 -3.19 0.00 -0.76 -4.84 105.19 100.25 1syr n GLY 97 Ca -0.11 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1syr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1syr n ALA 98 N 0.11 4.18 -3.65 4.61 0.00 -1.26 -4.69 120.51 119.81 1syr n ALA 98 Ca 0.00 -4.71 -0.35 0.00 0.00 0.00 0.00 53.44 48.38 1syr n ALA 98 Cb 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 1syr n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1syr s ASN 99 N -1.50 4.51 0.22 0.00 3.84 -1.26 -4.92 114.94 115.83 1syr s ASN 99 Ca 0.33 -0.94 -0.13 0.00 0.21 0.00 0.00 52.86 52.32 1syr s ASN 99 Cb 0.04 -1.69 0.26 0.00 -0.55 0.00 0.00 41.25 39.31 1syr s ASN 99 CO -0.04 -0.16 1.61 0.44 -2.79 0.00 0.00 177.10 176.16 1syr h ASP 100 N 8.03 -0.72 0.21 -4.21 5.19 -1.98 0.11 116.42 123.04 1syr h ASP 100 Ca -0.30 0.21 -0.15 0.00 -0.62 0.00 0.00 57.03 56.17 1syr h ASP 100 Cb 1.10 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 1syr h ASP 100 CO 0.57 -0.24 -0.57 0.77 -3.12 0.00 0.00 179.24 176.65 1syr h SER 101 N -0.02 0.42 -0.14 6.45 4.64 -1.99 -1.00 113.55 121.92 1syr h SER 101 Ca 0.33 -0.23 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 1syr h SER 101 Cb 0.52 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1syr h SER 101 CO -0.72 0.90 -0.35 0.00 -0.87 0.00 0.00 176.83 175.79 1syr h ALA 102 N 1.11 0.84 -0.45 5.18 0.00 -1.62 0.50 119.26 124.83 1syr h ALA 102 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1syr h ALA 102 Cb 1.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1syr h ALA 102 CO 0.10 0.64 0.07 1.25 0.00 0.00 0.00 179.25 181.31 1syr h LEU 103 N 0.55 0.71 -0.75 0.00 5.85 -0.70 -2.40 115.31 118.58 1syr h LEU 103 Ca 0.06 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1syr h LEU 103 Cb 0.86 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1syr h LEU 103 CO 0.07 0.79 0.49 0.50 -0.34 0.00 0.00 178.44 179.96 1syr h LYS 104 N 0.61 0.99 -0.31 1.25 3.64 -0.78 -2.13 116.57 119.83 1syr h LYS 104 Ca 0.14 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1syr h LYS 104 Cb 0.38 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1syr h LYS 104 CO 0.01 0.66 0.04 1.96 -2.27 0.00 0.00 179.45 179.85 1syr h GLN 105 N 1.01 0.15 -0.10 1.90 4.20 -0.77 0.33 115.11 121.83 1syr h GLN 105 Ca 0.27 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1syr h GLN 105 Cb -0.11 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1syr h GLN 105 CO -0.06 0.10 -0.05 1.25 -0.67 0.00 0.00 178.83 179.40 1syr h LEU 106 N 0.15 -0.15 -0.38 1.46 5.85 -1.19 -2.14 115.31 118.91 1syr h LEU 106 Ca 0.15 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1syr h LEU 106 Cb 0.17 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1syr h LEU 106 CO -0.21 -0.06 0.20 0.40 -0.34 0.00 0.00 178.44 178.43 1syr h ILE 107 N -0.04 1.16 -0.87 4.05 2.04 -0.99 -2.60 117.51 120.26 1syr h ILE 107 Ca 0.06 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1syr h ILE 107 Cb 0.12 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1syr h ILE 107 CO -0.12 0.17 0.57 -0.33 0.00 0.00 0.00 178.15 178.43 1syr h GLU 108 N 0.48 0.98 -0.40 2.37 5.08 -0.87 -0.51 114.58 121.72 1syr h GLU 108 Ca 0.13 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1syr h GLU 108 Cb 0.08 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1syr h GLU 108 CO -0.02 0.65 0.38 -0.22 -1.00 0.00 0.00 179.01 178.80 1syr h LYS 109 N 1.01 0.00 0.00 2.33 3.64 -0.97 -3.08 116.57 119.50 1syr h LYS 109 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1syr h LYS 109 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1syr h LYS 109 CO -0.13 0.00 -0.12 0.66 -2.27 0.00 0.00 179.45 177.59 1syr n TYR 110 N -3.89 0.00 -1.22 1.91 4.01 -0.80 -5.12 117.16 112.04 1syr n TYR 110 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1syr n TYR 110 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40