#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr n LYS 11 N 0.00 2.64 -3.33 7.34 4.81 -1.26 -4.83 118.16 123.53 1syr n LYS 11 Ca 0.00 0.96 -0.41 0.00 -0.87 0.00 0.00 58.31 58.00 1syr n LYS 11 Cb 0.00 -2.88 -0.09 0.00 0.02 0.00 0.00 35.03 32.09 1syr n LYS 11 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1syr s ILE 12 N 4.01 5.11 0.22 3.15 1.01 -1.26 -1.02 121.20 132.42 1syr s ILE 12 Ca 0.89 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.51 1syr s ILE 12 Cb -0.53 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1syr s ILE 12 CO 0.44 -0.10 0.94 -0.69 0.00 0.00 0.00 174.94 175.54 1syr s VAL 13 N 2.18 4.13 0.00 2.92 1.01 0.01 -4.96 120.40 125.68 1syr s VAL 13 Ca 0.15 2.09 0.00 0.00 0.00 0.00 0.00 61.98 64.22 1syr s VAL 13 Cb -0.16 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1syr s VAL 13 CO 0.12 0.48 0.84 0.35 0.00 0.00 0.00 175.10 176.89 1syr n THR 14 N 1.65 0.70 -3.68 3.92 -2.24 -1.26 -4.50 114.28 108.86 1syr n THR 14 Ca -0.01 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1syr n THR 14 Cb 0.47 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.70 -0.15 0.18 3.42 1.04 -1.26 -4.88 113.70 111.35 1syr s SER 15 Ca 0.00 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 1syr s SER 15 Cb 0.00 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.64 1syr s SER 15 CO 0.00 -0.82 1.67 -0.61 0.98 0.00 0.00 173.24 174.46 1syr h GLN 16 N 2.47 1.05 -0.73 4.02 4.15 -1.96 -1.54 115.11 122.57 1syr h GLN 16 Ca -0.34 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 58.73 1syr h GLN 16 Cb 1.24 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1syr h GLN 16 CO 0.49 0.99 0.21 0.00 -1.93 0.00 0.00 178.83 178.59 1syr h ALA 17 N 1.02 0.96 -0.13 3.38 0.00 -1.99 0.12 119.26 122.62 1syr h ALA 17 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1syr h ALA 17 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1syr h ALA 17 CO 0.02 0.65 0.04 1.49 0.00 0.00 0.00 179.25 181.45 1syr h GLU 18 N 1.09 0.19 -0.20 0.00 4.81 -1.95 -1.52 114.58 117.01 1syr h GLU 18 Ca 0.23 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1syr h GLU 18 Cb 0.33 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1syr h GLU 18 CO -0.00 0.31 -0.12 0.35 -0.73 0.00 0.00 179.01 178.82 1syr h PHE 19 N 0.03 -0.30 -0.48 0.92 3.57 -0.97 -1.73 116.94 117.99 1syr h PHE 19 Ca 0.04 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1syr h PHE 19 Cb 0.20 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1syr h PHE 19 CO -0.01 -0.18 0.00 -0.44 -2.23 0.00 0.00 178.31 175.45 1syr h ASP 20 N -0.11 0.82 -0.47 0.41 3.32 -0.71 -2.53 116.42 117.16 1syr h ASP 20 Ca 0.11 -0.31 -0.14 0.00 0.02 0.00 0.00 57.03 56.72 1syr h ASP 20 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1syr h ASP 20 CO -0.27 0.93 -0.24 0.77 -1.72 0.00 0.00 179.24 178.72 1syr h SER 21 N 0.70 1.02 -0.08 6.45 4.64 -1.18 -0.35 113.55 124.74 1syr h SER 21 Ca 0.14 -0.40 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1syr h SER 21 Cb 0.51 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1syr h SER 21 CO 0.02 1.20 -0.04 0.40 -0.87 0.00 0.00 176.83 177.54 1syr h ILE 22 N 0.85 0.87 -0.64 0.95 2.04 -1.21 0.28 117.51 120.65 1syr h ILE 22 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1syr h ILE 22 Cb 0.82 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1syr h ILE 22 CO 0.07 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.99 1syr h ILE 23 N -0.04 1.19 0.00 -0.67 2.04 -1.30 -2.42 117.51 116.31 1syr h ILE 23 Ca 0.04 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.32 1syr h ILE 23 Cb 0.10 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1syr h ILE 23 CO -0.10 0.20 -0.66 0.77 0.00 0.00 0.00 178.15 178.36 1syr h SER 24 N 0.89 0.00 -0.48 1.72 4.64 -0.58 -3.27 113.55 116.47 1syr h SER 24 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1syr h SER 24 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1syr h SER 24 CO -0.04 0.66 0.00 0.00 -0.87 0.00 0.00 176.83 176.58 1syr n GLN 25 N -3.31 3.40 -4.29 4.77 10.64 0.04 -4.85 117.38 123.79 1syr n GLN 25 Ca 0.01 -2.71 -0.20 0.00 -1.83 0.00 0.00 57.00 52.28 1syr n GLN 25 Cb 0.78 -1.76 -0.16 0.00 -0.86 0.00 0.00 30.24 28.25 1syr n GLN 25 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1syr s ASN 26 N -1.19 1.03 0.52 2.61 0.01 -0.94 -5.04 114.94 111.94 1syr s ASN 26 Ca 0.43 -0.16 0.30 0.00 -0.71 0.00 0.00 52.86 52.72 1syr s ASN 26 Cb 0.29 -0.33 1.03 0.00 0.41 0.00 0.00 41.25 42.65 1syr s ASN 26 CO 0.18 0.03 1.86 1.05 -1.51 0.00 0.00 177.10 178.71 1syr h GLU 27 N 6.57 0.00 -2.72 -0.60 4.11 -1.90 -3.41 114.58 116.64 1syr h GLU 27 Ca -0.34 0.00 -0.41 0.00 0.07 0.00 0.00 59.36 58.69 1syr h GLU 27 Cb 1.17 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.04 1syr h GLU 27 CO 0.49 0.00 -0.70 -1.17 0.07 0.00 0.00 179.01 177.70 1syr s LEU 28 N -6.19 0.15 -0.05 3.06 2.96 -1.26 -1.35 118.68 115.99 1syr s LEU 28 Ca 0.03 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1syr s LEU 28 Cb 0.08 0.05 -0.00 0.00 0.50 0.00 0.00 46.19 46.82 1syr s LEU 28 CO 0.59 -0.36 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 1syr s VAL 29 N 2.23 1.51 -0.08 1.68 1.01 -0.68 -1.89 120.40 124.17 1syr s VAL 29 Ca 0.06 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1syr s VAL 29 Cb -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1syr s VAL 29 CO -0.17 0.43 -0.08 -0.51 0.00 0.00 0.00 175.10 174.77 1syr s ILE 30 N 0.10 3.57 -0.02 2.22 2.07 -0.28 0.42 121.20 129.29 1syr s ILE 30 Ca -0.06 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.70 1syr s ILE 30 Cb -0.13 -2.47 -0.01 0.00 0.13 0.00 0.00 42.46 39.99 1syr s ILE 30 CO 0.03 0.58 -0.14 0.54 -1.91 0.00 0.00 174.94 174.04 1syr s VAL 31 N -0.59 1.11 -0.35 4.00 0.11 0.11 -0.85 120.40 123.94 1syr s VAL 31 Ca 0.09 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1syr s VAL 31 Cb -0.12 -0.94 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1syr s VAL 31 CO 0.02 0.32 0.13 -0.62 -3.33 0.00 0.00 175.10 171.62 1syr s ASP 32 N -0.20 5.43 -0.47 3.54 2.15 -0.36 -1.26 116.67 125.50 1syr s ASP 32 Ca 0.03 -1.10 -0.24 0.00 0.43 0.00 0.00 52.55 51.66 1syr s ASP 32 Cb -0.07 -1.91 0.03 0.00 -0.30 0.00 0.00 42.92 40.67 1syr s ASP 32 CO -0.00 -0.34 0.87 -0.36 -0.17 0.00 0.00 175.17 175.17 1syr s PHE 33 N 1.44 2.93 0.47 -5.34 0.40 0.44 -1.09 117.98 117.23 1syr s PHE 33 Ca -0.01 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 1syr s PHE 33 Cb -0.19 -3.87 -0.02 0.00 0.51 0.00 0.00 43.02 39.45 1syr s PHE 33 CO 0.04 -1.10 0.05 -0.59 0.70 0.00 0.00 175.22 174.32 1syr s PHE 34 N 3.61 1.84 -0.24 0.36 -0.71 0.07 -3.11 117.98 119.80 1syr s PHE 34 Ca 0.33 -1.08 -0.25 0.00 -1.04 0.00 0.00 56.93 54.89 1syr s PHE 34 Cb -0.11 -1.44 0.07 0.00 -1.21 0.00 0.00 43.02 40.32 1syr s PHE 34 CO 0.24 0.03 0.71 0.00 -1.34 0.00 0.00 175.22 174.86 1syr s ALA 35 N -3.00 -1.75 -1.29 1.99 0.00 -1.26 -0.84 121.76 115.60 1syr s ALA 35 Ca 0.12 1.92 0.17 0.00 0.00 0.00 0.00 51.96 54.18 1syr s ALA 35 Cb 0.02 -1.04 0.80 0.00 0.00 0.00 0.00 23.12 22.90 1syr s ALA 35 CO 0.07 -0.34 1.50 0.39 0.00 0.00 0.00 175.76 177.39 1syr n GLU 36 N 2.51 0.16 0.00 0.00 -0.58 -1.26 -1.63 120.64 119.84 1syr n GLU 36 Ca -0.15 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 56.87 1syr n GLU 36 Cb 0.55 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 30.10 1syr n GLU 36 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1syr n TRP 37 N -1.36 0.00 -3.78 -0.32 4.27 -1.26 -4.87 117.44 110.12 1syr n TRP 37 Ca 0.07 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.31 1syr n TRP 37 Cb 0.15 -0.02 -0.13 0.00 -1.36 0.00 0.00 31.31 29.95 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 8.21 -0.21 0.14 0.00 0.00 -1.89 -2.72 103.07 106.59 1syr h GLY 39 Ca -0.30 0.08 0.22 0.00 0.00 0.00 0.00 47.33 47.32 1syr h GLY 39 CO 0.60 -0.08 0.62 -2.55 0.00 0.00 0.00 176.54 175.14 1syr h PRO 40 N -0.30 0.48 -0.10 4.80 0.11 -1.95 -0.96 132.00 134.08 1syr h PRO 40 Ca -0.02 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.07 1syr h PRO 40 Cb 0.24 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1syr h PRO 40 CO 0.03 0.32 0.05 0.00 -0.21 0.00 0.00 178.00 178.19 1syr h LYS 42 N 0.11 0.88 -0.61 0.00 1.57 -0.99 -2.63 116.57 114.91 1syr h LYS 42 Ca 0.04 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1syr h LYS 42 Cb 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1syr h LYS 42 CO -0.03 0.85 0.33 -0.09 -0.57 0.00 0.00 179.45 179.94 1syr h ARG 43 N 0.83 0.60 -0.00 3.15 2.43 -1.15 -3.08 114.38 117.15 1syr h ARG 43 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1syr h ARG 43 Cb 0.43 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1syr h ARG 43 CO 0.02 0.39 -0.45 1.51 -1.51 0.00 0.00 179.97 179.93 1syr n ILE 44 N -4.83 0.00 -0.10 1.20 3.06 -1.00 -4.28 119.36 113.42 1syr n ILE 44 Ca 0.07 -0.07 -0.06 0.00 -2.50 0.00 0.00 62.75 60.19 1syr n ILE 44 Cb 0.16 0.44 -0.00 0.00 0.54 0.00 0.00 39.64 40.78 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 3.33 -0.01 -0.96 1.51 0.00 -1.38 -2.36 119.26 119.39 1syr h ALA 45 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1syr h ALA 45 Cb 0.52 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1syr h ALA 45 CO 0.00 -0.62 0.62 -1.35 0.00 0.00 0.00 179.25 177.90 1syr h PRO 46 N -0.18 1.01 -0.42 0.00 0.11 -1.78 -1.32 132.00 129.42 1syr h PRO 46 Ca 0.18 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 1syr h PRO 46 Cb 0.46 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1syr h PRO 46 CO -0.47 0.67 -0.19 0.35 -0.21 0.00 0.00 178.00 178.15 1syr h PHE 47 N 1.04 1.00 -0.32 0.65 3.57 -1.72 -1.83 116.94 119.33 1syr h PHE 47 Ca 0.43 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1syr h PHE 47 Cb 0.30 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1syr h PHE 47 CO -0.00 1.02 0.20 -0.92 -2.23 0.00 0.00 178.31 176.38 1syr h TYR 48 N 0.70 0.39 -0.44 0.41 3.20 -1.06 -0.04 116.97 120.12 1syr h TYR 48 Ca 0.10 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1syr h TYR 48 Cb 0.75 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 1syr h TYR 48 CO 0.06 0.24 0.20 1.49 -1.64 0.00 0.00 178.16 178.51 1syr h GLU 49 N 0.42 0.40 -0.61 1.82 4.57 -1.12 -1.04 114.58 119.01 1syr h GLU 49 Ca 0.12 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1syr h GLU 49 Cb -0.03 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1syr h GLU 49 CO -0.04 0.26 0.05 1.49 -1.18 0.00 0.00 179.01 179.59 1syr h GLU 50 N 0.41 1.04 -0.66 1.92 4.57 -1.07 -2.91 114.58 117.88 1syr h GLU 50 Ca 0.19 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1syr h GLU 50 Cb 0.12 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1syr h GLU 50 CO -0.15 0.98 0.28 0.00 -1.18 0.00 0.00 179.01 178.95 1syr h SER 52 N 0.92 0.00 0.40 0.00 4.64 -1.01 -0.45 113.55 118.05 1syr h SER 52 Ca 0.22 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 1syr h SER 52 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1syr h SER 52 CO -0.02 0.00 -0.83 0.11 -0.87 0.00 0.00 176.83 175.22 1syr h LYS 53 N 0.00 0.32 0.00 4.77 1.57 -1.34 -3.38 116.57 118.51 1syr h LYS 53 Ca 0.03 -0.31 -0.30 0.00 -1.87 0.00 0.00 60.65 58.20 1syr h LYS 53 Cb 0.16 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1syr h LYS 53 CO -0.00 0.98 -2.14 0.25 -0.57 0.00 0.00 179.45 177.97 1syr n THR 54 N -3.75 1.14 -2.16 -0.16 -2.24 -0.92 -4.61 114.28 101.57 1syr n THR 54 Ca -0.05 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 1syr n THR 54 Cb 0.77 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.62 2.84 0.29 4.78 4.01 -0.22 -4.80 117.16 121.44 1syr n TYR 55 Ca -0.27 -2.82 0.15 0.00 -0.16 0.00 0.00 57.90 54.80 1syr n TYR 55 Cb 1.04 -1.97 0.88 0.00 -0.31 0.00 0.00 39.34 38.98 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 3.41 0.49 0.00 -0.72 1.03 -1.82 -2.87 112.91 112.43 1syr h THR 56 Ca 0.51 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 1syr h THR 56 Cb 0.52 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 1syr h THR 56 CO 1.61 0.04 0.00 1.17 -0.01 0.00 0.00 175.52 178.33 1syr n LYS 57 N -3.71 0.33 -4.27 0.00 4.81 -1.26 -4.71 118.16 109.35 1syr n LYS 57 Ca -0.03 0.09 -0.18 0.00 -0.87 0.00 0.00 58.31 57.32 1syr n LYS 57 Cb 0.13 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.55 1syr n LYS 57 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1syr s MET 58 N -2.35 0.75 -0.20 1.64 1.75 -1.08 -4.78 119.30 115.03 1syr s MET 58 Ca 0.18 -0.62 -0.15 0.00 -1.25 0.00 0.00 55.69 53.84 1syr s MET 58 Cb 0.10 -0.70 -0.04 0.00 2.84 0.00 0.00 34.83 37.04 1syr s MET 58 CO 0.21 0.17 0.38 0.54 -0.65 0.00 0.00 175.02 175.67 1syr s VAL 59 N -0.78 5.22 -0.20 10.11 0.11 -0.79 -4.97 120.40 129.08 1syr s VAL 59 Ca -0.01 0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 59.57 1syr s VAL 59 Cb -0.07 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1syr s VAL 59 CO 0.01 0.27 0.33 -0.36 -3.33 0.00 0.00 175.10 172.01 1syr s PHE 60 N 1.18 3.37 0.28 1.54 0.40 -1.26 -1.12 117.98 122.37 1syr s PHE 60 Ca 0.18 0.52 0.08 0.00 -0.60 0.00 0.00 56.93 57.11 1syr s PHE 60 Cb -0.14 -2.44 -0.06 0.00 0.51 0.00 0.00 43.02 40.89 1syr s PHE 60 CO 0.07 0.05 -0.09 0.96 0.70 0.00 0.00 175.22 176.92 1syr s ILE 61 N 1.11 1.83 -0.05 0.64 -4.36 -0.03 -4.05 121.20 116.28 1syr s ILE 61 Ca 0.16 -2.17 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1syr s ILE 61 Cb -0.14 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.16 1syr s ILE 61 CO 0.06 -0.33 -0.13 -0.54 0.24 0.00 0.00 174.94 174.25 1syr s LYS 62 N -3.68 1.60 -0.15 0.37 1.02 -0.19 -1.23 119.74 117.49 1syr s LYS 62 Ca 0.29 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1syr s LYS 62 Cb 0.02 -1.36 0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1syr s LYS 62 CO 0.12 0.09 -0.17 0.08 -0.92 0.00 0.00 175.35 174.55 1syr s VAL 63 N 0.46 1.79 -0.41 3.17 1.01 -0.25 -0.81 120.40 125.36 1syr s VAL 63 Ca -0.11 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1syr s VAL 63 Cb -0.14 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1syr s VAL 63 CO 0.03 0.50 1.01 -0.62 0.00 0.00 0.00 175.10 176.01 1syr s ASP 64 N 1.27 6.68 0.42 3.32 -1.08 -1.26 -0.75 116.67 125.26 1syr s ASP 64 Ca 0.02 0.55 0.14 0.00 -0.52 0.00 0.00 52.55 52.74 1syr s ASP 64 Cb -0.13 -2.50 1.01 0.00 -1.46 0.00 0.00 42.92 39.84 1syr s ASP 64 CO -0.09 -1.00 1.94 -0.37 0.52 0.00 0.00 175.17 176.16 1syr h VAL 65 N 5.96 0.84 0.22 1.11 -1.51 -1.31 0.17 116.25 121.73 1syr h VAL 65 Ca -0.23 -0.16 -0.29 0.00 -1.23 0.00 0.00 66.70 64.79 1syr h VAL 65 Cb 1.07 0.35 0.03 0.00 -2.13 0.00 0.00 31.29 30.61 1syr h VAL 65 CO 1.04 0.08 -1.30 0.44 -1.23 0.00 0.00 177.57 176.60 1syr h ASP 66 N 0.46 0.72 -0.95 4.19 3.32 -1.92 -2.88 116.42 119.35 1syr h ASP 66 Ca 0.34 -0.93 0.06 0.00 0.02 0.00 0.00 57.03 56.52 1syr h ASP 66 Cb 0.71 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1syr h ASP 66 CO -0.11 1.62 0.62 -0.08 -1.72 0.00 0.00 179.24 179.57 1syr h GLU 67 N -0.02 1.09 -2.22 3.56 4.81 -1.40 -2.99 114.58 117.41 1syr h GLU 67 Ca -0.23 -0.07 -0.58 0.00 -0.13 0.00 0.00 59.36 58.35 1syr h GLU 67 Cb 2.01 -0.25 -0.42 0.00 0.63 0.00 0.00 28.75 30.72 1syr h GLU 67 CO 0.23 0.72 -0.70 0.28 -0.73 0.00 0.00 179.01 178.81 1syr n VAL 68 N -4.48 2.37 0.27 0.32 0.31 -0.53 -4.90 118.33 111.68 1syr n VAL 68 Ca 0.14 -5.30 0.13 0.00 -0.01 0.00 0.00 64.34 59.30 1syr n VAL 68 Cb 0.17 -1.54 0.77 0.00 -0.91 0.00 0.00 33.84 32.33 1syr n VAL 68 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1syr h SER 69 N 3.40 0.00 -0.91 4.52 4.64 -1.35 -1.82 113.55 122.03 1syr h SER 69 Ca 0.15 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.55 1syr h SER 69 Cb 0.61 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.63 1syr h SER 69 CO 0.78 0.09 0.56 -0.33 -0.87 0.00 0.00 176.83 177.06 1syr h GLU 70 N 0.00 0.95 -0.12 4.77 3.07 -1.90 -1.44 114.58 119.91 1syr h GLU 70 Ca -0.00 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 58.57 1syr h GLU 70 Cb 0.26 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1syr h GLU 70 CO 0.01 0.63 -0.82 0.28 -1.40 0.00 0.00 179.01 177.71 1syr h VAL 71 N 0.98 1.29 -0.24 3.13 2.07 -1.70 -3.05 116.25 118.73 1syr h VAL 71 Ca 0.42 -2.04 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 1syr h VAL 71 Cb 0.28 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1syr h VAL 71 CO -0.21 0.64 -0.37 0.71 0.02 0.00 0.00 177.57 178.36 1syr h THR 72 N 0.49 1.29 -0.40 2.57 1.35 -1.19 0.29 112.91 117.30 1syr h THR 72 Ca -0.06 -1.50 -0.04 0.00 -0.55 0.00 0.00 66.41 64.26 1syr h THR 72 Cb 1.45 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.37 1syr h THR 72 CO 0.17 0.47 0.11 -0.33 -0.25 0.00 0.00 175.52 175.69 1syr h GLU 73 N 0.44 0.64 -0.54 4.72 4.39 -1.38 -2.27 114.58 120.57 1syr h GLU 73 Ca 0.05 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1syr h GLU 73 Cb 0.85 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1syr h GLU 73 CO 0.07 0.65 -0.02 0.87 -1.16 0.00 0.00 179.01 179.43 1syr h LYS 74 N 0.51 0.96 -0.02 2.33 1.57 -1.30 -2.65 116.57 117.97 1syr h LYS 74 Ca 0.13 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1syr h LYS 74 Cb 0.29 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1syr h LYS 74 CO -0.00 0.98 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 1syr n GLU 75 N -4.25 1.11 -3.69 3.15 -0.58 0.95 -4.95 120.64 112.38 1syr n GLU 75 Ca 0.02 -0.16 -0.29 0.00 -0.42 0.00 0.00 57.16 56.31 1syr n GLU 75 Cb 0.34 -1.34 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.66 -5.10 -4.57 1.62 5.15 -0.90 -4.94 115.26 105.86 1syr n ASN 76 Ca 0.16 -0.70 -0.41 0.00 -0.60 0.00 0.00 54.58 53.02 1syr n ASN 76 Cb 0.11 -1.74 -0.07 0.00 -0.53 0.00 0.00 39.78 37.55 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 -2.53 4.99 -0.17 -1.44 -1.09 -0.95 -4.97 121.20 115.03 1syr s ILE 77 Ca 0.12 0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 58.90 1syr s ILE 77 Cb -0.01 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1syr s ILE 77 CO 0.89 -0.19 -0.32 0.35 -1.23 0.00 0.00 174.94 174.44 1syr n THR 78 N 5.42 1.48 -3.97 2.92 -2.24 -1.26 -4.98 114.28 111.65 1syr n THR 78 Ca -0.03 0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.67 1syr n THR 78 Cb 0.49 -2.35 -0.03 0.00 -2.10 0.00 0.00 70.33 66.34 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 -5.87 6.29 -0.12 3.42 1.04 -1.26 -5.11 113.70 112.09 1syr s SER 79 Ca -0.27 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1syr s SER 79 Cb 0.04 -1.86 0.02 0.00 0.10 0.00 0.00 66.02 64.31 1syr s SER 79 CO 0.39 -0.02 -0.16 -0.32 0.98 0.00 0.00 173.24 174.12 1syr s MET 80 N -3.67 2.32 0.56 4.02 1.75 -1.26 -3.67 119.30 119.35 1syr s MET 80 Ca 0.34 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 54.18 1syr s MET 80 Cb -0.10 -2.00 0.03 0.00 2.84 0.00 0.00 34.83 35.61 1syr s MET 80 CO 0.29 -0.10 0.80 -1.25 -0.65 0.00 0.00 175.02 174.11 1syr s PRO 81 N 1.08 2.62 -0.02 4.11 0.04 -1.26 -4.78 135.00 136.78 1syr s PRO 81 Ca -0.04 -0.58 0.04 0.00 0.04 0.00 0.00 61.00 60.47 1syr s PRO 81 Cb -0.14 -2.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1syr s PRO 81 CO -0.04 -0.71 -0.15 0.99 0.04 0.00 0.00 177.00 177.13 1syr s THR 82 N -2.82 1.23 -0.13 1.26 2.01 -1.18 -1.87 115.64 114.14 1syr s THR 82 Ca 0.56 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1syr s THR 82 Cb -0.10 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 1syr s THR 82 CO 0.40 0.35 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.18 1syr s PHE 83 N -0.17 2.79 -0.00 4.92 0.40 -0.29 -0.42 117.98 125.21 1syr s PHE 83 Ca 0.02 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 55.70 1syr s PHE 83 Cb -0.08 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1syr s PHE 83 CO 0.00 -0.25 -0.20 0.15 0.70 0.00 0.00 175.22 175.63 1syr s LYS 84 N 0.39 1.54 -0.06 0.44 1.02 -0.39 -0.39 119.74 122.30 1syr s LYS 84 Ca -0.11 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1syr s LYS 84 Cb -0.16 -1.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.59 1syr s LYS 84 CO 0.06 0.41 -0.06 0.14 -0.92 0.00 0.00 175.35 174.98 1syr s VAL 85 N -0.54 3.81 -0.08 3.17 -7.23 -0.43 0.06 120.40 119.15 1syr s VAL 85 Ca 0.07 -0.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1syr s VAL 85 Cb -0.08 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 1syr s VAL 85 CO -0.00 0.57 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.82 1syr s TYR 86 N -0.86 2.55 -0.20 2.82 1.51 0.17 -0.97 117.35 122.37 1syr s TYR 86 Ca 0.13 -0.83 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 1syr s TYR 86 Cb -0.11 -1.68 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1syr s TYR 86 CO 0.03 -0.29 -0.15 0.21 -1.11 0.00 0.00 175.55 174.24 1syr s LYS 87 N 0.09 2.52 -1.39 -0.62 2.20 -0.35 -1.69 119.74 120.50 1syr s LYS 87 Ca -0.10 -0.96 -0.06 0.00 -0.36 0.00 0.00 55.97 54.49 1syr s LYS 87 Cb -0.16 -2.59 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1syr s LYS 87 CO 0.06 -0.36 0.83 0.09 -0.36 0.00 0.00 175.35 175.61 1syr n ASN 88 N 4.59 -2.77 0.00 1.43 5.03 -0.46 -2.78 115.26 120.30 1syr n ASN 88 Ca -0.17 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.49 1syr n ASN 88 Cb 0.47 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.17 1syr n ASN 88 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1syr n GLY 89 N -1.63 0.88 3.36 7.41 0.00 -1.23 -5.03 105.19 108.94 1syr n GLY 89 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.95 3.22 0.06 1.61 0.01 -1.12 -4.90 113.70 109.62 1syr s SER 90 Ca 0.00 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 1syr s SER 90 Cb 0.00 -0.29 -0.09 0.00 0.21 0.00 0.00 66.02 65.85 1syr s SER 90 CO 0.00 0.24 1.85 -0.55 0.41 0.00 0.00 173.24 175.20 1syr s SER 91 N -1.39 6.48 -0.05 2.44 0.15 -1.26 -1.21 113.70 118.86 1syr s SER 91 Ca 0.12 2.63 -0.02 0.00 0.70 0.00 0.00 55.95 59.39 1syr s SER 91 Cb -0.10 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1syr s SER 91 CO 0.03 -1.00 -0.06 0.52 1.20 0.00 0.00 173.24 173.93 1syr n VAL 92 N 5.18 0.26 -4.07 4.45 0.31 -0.14 -4.93 118.33 119.39 1syr n VAL 92 Ca 0.18 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1syr n VAL 92 Cb 0.40 -1.34 -0.11 0.00 -0.91 0.00 0.00 33.84 31.88 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 -5.18 0.88 -0.08 4.52 -1.08 -1.22 -5.01 116.67 109.50 1syr s ASP 93 Ca -0.07 -0.59 -0.03 0.00 -0.52 0.00 0.00 52.55 51.34 1syr s ASP 93 Cb 0.02 0.04 0.04 0.00 -1.46 0.00 0.00 42.92 41.57 1syr s ASP 93 CO 0.09 -0.23 0.16 0.28 0.52 0.00 0.00 175.17 175.99 1syr s THR 94 N -1.57 -0.19 -0.14 1.71 -1.32 -1.26 -1.32 115.64 111.56 1syr s THR 94 Ca -0.08 0.29 -0.01 0.00 -1.21 0.00 0.00 61.69 60.68 1syr s THR 94 Cb -0.09 -0.28 -0.02 0.00 -1.51 0.00 0.00 72.50 70.60 1syr s THR 94 CO -0.00 0.12 -0.11 -0.22 -2.21 0.00 0.00 174.62 172.20 1syr s LEU 95 N 1.89 2.81 -0.14 9.08 2.96 0.48 -4.98 118.68 130.78 1syr s LEU 95 Ca -0.01 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 1syr s LEU 95 Cb -0.12 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1syr s LEU 95 CO -0.06 0.16 0.15 -0.76 -1.32 0.00 0.00 176.35 174.52 1syr s LEU 96 N 0.36 4.34 0.00 -0.68 1.02 -1.26 -1.14 118.68 121.32 1syr s LEU 96 Ca -0.10 0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.47 1syr s LEU 96 Cb -0.16 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 43.96 1syr s LEU 96 CO 0.05 0.34 0.00 0.61 0.02 0.00 0.00 176.35 177.37 1syr n GLY 97 N 2.44 0.48 2.76 -3.19 0.00 -0.78 -4.84 105.19 102.05 1syr n GLY 97 Ca -0.19 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 0.83 4.95 -2.85 4.61 0.00 -1.26 -4.66 120.51 122.12 1syr n ALA 98 Ca 0.00 -4.71 -0.36 0.00 0.00 0.00 0.00 53.44 48.37 1syr n ALA 98 Cb 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.56 5.54 0.10 0.00 3.84 -1.26 -4.88 114.94 115.71 1syr s ASN 99 Ca 0.43 -0.01 -0.28 0.00 0.21 0.00 0.00 52.86 53.20 1syr s ASN 99 Cb 0.20 -1.97 -0.12 0.00 -0.55 0.00 0.00 41.25 38.81 1syr s ASN 99 CO -0.08 0.08 1.65 0.44 -2.79 0.00 0.00 177.10 176.40 1syr h ASP 100 N 7.36 -0.66 -0.78 -4.21 5.19 -1.99 -1.17 116.42 120.16 1syr h ASP 100 Ca -0.37 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.05 1syr h ASP 100 Cb 1.17 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.87 1syr h ASP 100 CO 0.65 -0.36 0.30 -1.28 -3.12 0.00 0.00 179.24 175.42 1syr h SER 101 N -0.53 1.08 -0.94 6.45 0.87 -1.99 -1.60 113.55 116.89 1syr h SER 101 Ca -0.01 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1syr h SER 101 Cb 0.49 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 1syr h SER 101 CO -0.05 0.97 0.57 0.00 -0.53 0.00 0.00 176.83 177.79 1syr h ALA 102 N 1.16 1.20 -0.29 6.23 0.00 -1.92 -2.00 119.26 123.63 1syr h ALA 102 Ca 0.26 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1syr h ALA 102 Cb 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1syr h ALA 102 CO -0.02 0.66 -0.22 1.25 0.00 0.00 0.00 179.25 180.92 1syr h LEU 103 N 1.30 0.69 -0.95 0.00 5.85 -0.91 -2.51 115.31 118.78 1syr h LEU 103 Ca 0.34 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1syr h LEU 103 Cb -0.06 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 1syr h LEU 103 CO -0.06 0.99 0.60 0.50 -0.34 0.00 0.00 178.44 180.13 1syr h LYS 104 N 0.40 1.04 -0.52 1.25 3.64 -1.04 -1.80 116.57 119.55 1syr h LYS 104 Ca 0.06 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1syr h LYS 104 Cb 0.77 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1syr h LYS 104 CO 0.06 0.69 -0.03 1.96 -2.27 0.00 0.00 179.45 179.86 1syr h GLN 105 N 1.07 0.93 0.09 1.90 4.20 -1.27 -0.36 115.11 121.69 1syr h GLN 105 Ca 0.42 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1syr h GLN 105 Cb 0.22 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1syr h GLN 105 CO -0.19 0.97 -0.07 1.25 -0.67 0.00 0.00 178.83 180.12 1syr h LEU 106 N 0.80 -0.18 -0.74 1.46 5.85 -0.97 -1.37 115.31 120.15 1syr h LEU 106 Ca 0.14 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 1syr h LEU 106 Cb 0.56 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1syr h LEU 106 CO 0.03 -0.11 -0.61 0.16 -0.34 0.00 0.00 178.44 177.57 1syr h ILE 107 N -0.17 1.42 -0.27 4.05 3.07 -1.30 -2.74 117.51 121.57 1syr h ILE 107 Ca -0.00 -2.05 -0.09 0.00 1.55 0.00 0.00 64.86 64.27 1syr h ILE 107 Cb 0.15 2.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 1syr h ILE 107 CO -0.00 0.59 -0.21 -0.33 -1.05 0.00 0.00 178.15 177.15 1syr h GLU 108 N 0.06 0.49 -0.89 0.16 5.08 -0.99 -0.00 114.58 118.49 1syr h GLU 108 Ca -0.01 -0.17 0.21 0.00 -1.00 0.00 0.00 59.36 58.40 1syr h GLU 108 Cb 1.08 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 1syr h GLU 108 CO 0.08 0.67 0.60 -0.22 -1.00 0.00 0.00 179.01 179.14 1syr h LYS 109 N 0.44 0.32 0.00 2.33 3.64 -0.93 -3.03 116.57 119.34 1syr h LYS 109 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1syr h LYS 109 Cb 0.61 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1syr h LYS 109 CO 0.04 0.21 -1.32 0.66 -2.27 0.00 0.00 179.45 176.77 1syr n TYR 110 N -4.47 0.00 -0.95 1.91 4.01 -0.97 -5.12 117.16 111.56 1syr n TYR 110 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1syr n TYR 110 Cb 0.74 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40