#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 4.29 -0.37 1.45 -0.14 -1.25 -4.85 119.74 118.86 1syr s LYS 11 Ca 0.00 1.84 -0.24 0.00 -1.36 0.00 0.00 55.97 56.21 1syr s LYS 11 Cb 0.00 -3.63 0.01 0.00 -1.68 0.00 0.00 37.83 32.53 1syr s LYS 11 CO 0.00 -0.58 0.85 0.42 -0.76 0.00 0.00 175.35 175.28 1syr s ILE 12 N 2.66 4.66 0.09 2.17 1.01 -1.26 -0.42 121.20 130.11 1syr s ILE 12 Ca 0.61 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 1syr s ILE 12 Cb -0.28 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 1syr s ILE 12 CO 0.23 -0.50 1.13 -0.69 0.00 0.00 0.00 174.94 175.11 1syr s VAL 13 N 3.29 4.11 -0.05 2.92 1.01 0.18 -4.95 120.40 126.90 1syr s VAL 13 Ca 0.34 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.95 1syr s VAL 13 Cb -0.12 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1syr s VAL 13 CO 0.18 0.17 1.03 0.35 0.00 0.00 0.00 175.10 176.84 1syr n THR 14 N 3.41 1.11 -3.57 3.92 -2.24 -1.26 -4.54 114.28 111.10 1syr n THR 14 Ca 0.06 -1.15 -0.11 0.00 -2.27 0.00 0.00 64.05 60.58 1syr n THR 14 Cb 0.47 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.22 -0.33 0.18 3.42 1.04 -1.26 -4.88 113.70 110.64 1syr s SER 15 Ca 0.05 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.17 1syr s SER 15 Cb 0.04 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.73 1syr s SER 15 CO 0.01 -0.88 1.63 -0.61 0.98 0.00 0.00 173.24 174.37 1syr h GLN 16 N 2.28 1.07 -0.64 4.02 4.15 -1.96 -1.36 115.11 122.67 1syr h GLN 16 Ca -0.34 -0.35 0.02 0.00 0.77 0.00 0.00 58.65 58.75 1syr h GLN 16 Cb 1.27 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 1syr h GLN 16 CO 0.44 1.06 0.41 0.00 -1.93 0.00 0.00 178.83 178.81 1syr h ALA 17 N 0.97 0.82 0.12 3.38 0.00 -1.98 -0.07 119.26 122.50 1syr h ALA 17 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1syr h ALA 17 Cb 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1syr h ALA 17 CO 0.04 0.18 -0.08 1.49 0.00 0.00 0.00 179.25 180.88 1syr h GLU 18 N 0.81 -0.19 0.16 0.00 4.81 -1.91 -0.01 114.58 118.25 1syr h GLU 18 Ca 0.25 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1syr h GLU 18 Cb -0.03 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1syr h GLU 18 CO -0.08 -0.13 -0.43 0.35 -0.73 0.00 0.00 179.01 177.99 1syr h PHE 19 N -0.20 -1.22 -0.69 0.92 3.57 -0.94 -1.63 116.94 116.75 1syr h PHE 19 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1syr h PHE 19 Cb 0.17 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1syr h PHE 19 CO -0.09 -0.54 0.29 -0.44 -2.23 0.00 0.00 178.31 175.31 1syr h ASP 20 N -0.69 0.93 0.11 0.41 3.32 -0.86 -2.01 116.42 117.62 1syr h ASP 20 Ca 0.01 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1syr h ASP 20 Cb 0.70 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1syr h ASP 20 CO -0.23 0.82 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.78 1syr h SER 21 N 1.00 -0.12 -0.52 6.45 0.87 -0.72 -0.20 113.55 120.30 1syr h SER 21 Ca 0.24 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1syr h SER 21 Cb 0.17 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1syr h SER 21 CO -0.02 -0.03 0.33 0.40 -0.53 0.00 0.00 176.83 176.97 1syr h ILE 22 N -0.20 1.10 -0.41 2.23 2.04 -0.80 -2.49 117.51 118.97 1syr h ILE 22 Ca -0.01 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1syr h ILE 22 Cb 0.16 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1syr h ILE 22 CO 0.02 0.12 -0.03 0.40 0.00 0.00 0.00 178.15 178.67 1syr h ILE 23 N 0.66 1.27 0.00 -0.67 5.03 -1.28 -2.70 117.51 119.83 1syr h ILE 23 Ca 0.20 -1.08 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 1syr h ILE 23 Cb -0.03 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1syr h ILE 23 CO -0.07 0.36 0.00 0.77 -0.68 0.00 0.00 178.15 178.54 1syr h SER 24 N 0.58 0.00 0.00 1.72 4.64 -0.88 -3.26 113.55 116.35 1syr h SER 24 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1syr h SER 24 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1syr h SER 24 CO 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.85 1syr n GLN 25 N -2.75 0.95 -4.37 4.77 10.64 -0.95 -4.78 117.38 120.89 1syr n GLN 25 Ca 0.03 -2.18 -0.22 0.00 -1.83 0.00 0.00 57.00 52.80 1syr n GLN 25 Cb 0.38 -1.24 -0.16 0.00 -0.86 0.00 0.00 30.24 28.36 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 -2.39 1.35 0.43 2.61 0.01 -1.02 -5.04 114.94 110.89 1syr s ASN 26 Ca 0.24 -0.21 0.22 0.00 -0.71 0.00 0.00 52.86 52.39 1syr s ASN 26 Cb 0.21 -0.63 0.98 0.00 0.41 0.00 0.00 41.25 42.21 1syr s ASN 26 CO 0.02 -0.01 1.87 1.05 -1.51 0.00 0.00 177.10 178.52 1syr h GLU 27 N 7.08 0.00 -3.61 -0.60 4.11 -1.90 -3.40 114.58 116.25 1syr h GLU 27 Ca -0.35 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.52 1syr h GLU 27 Cb 1.17 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.02 1syr h GLU 27 CO 0.47 0.26 -0.76 -0.51 0.07 0.00 0.00 179.01 178.54 1syr s LEU 28 N -7.22 2.00 -0.06 3.06 1.43 -1.26 -1.54 118.68 115.10 1syr s LEU 28 Ca -0.01 -1.40 0.05 0.00 -1.03 0.00 0.00 54.13 51.74 1syr s LEU 28 Cb 0.12 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 1syr s LEU 28 CO 0.65 -0.37 -0.22 -0.69 0.23 0.00 0.00 176.35 175.95 1syr s VAL 29 N 1.66 1.81 -0.10 -1.59 1.01 -0.78 -0.58 120.40 121.83 1syr s VAL 29 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1syr s VAL 29 Cb -0.17 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1syr s VAL 29 CO -0.20 0.51 -0.09 -0.51 0.00 0.00 0.00 175.10 174.81 1syr s ILE 30 N -0.02 3.44 -0.04 2.22 2.07 0.90 0.42 121.20 130.19 1syr s ILE 30 Ca -0.05 -0.55 0.04 0.00 -1.41 0.00 0.00 60.65 58.68 1syr s ILE 30 Cb -0.13 -2.43 -0.00 0.00 0.13 0.00 0.00 42.46 40.02 1syr s ILE 30 CO 0.04 0.55 -0.16 0.54 -1.91 0.00 0.00 174.94 174.00 1syr s VAL 31 N -0.20 1.36 -0.35 4.00 0.11 0.16 -0.88 120.40 124.59 1syr s VAL 31 Ca 0.02 -0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 1syr s VAL 31 Cb -0.13 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.56 1syr s VAL 31 CO 0.03 0.39 0.21 -0.62 -3.33 0.00 0.00 175.10 171.78 1syr s ASP 32 N 0.01 5.81 -0.50 3.54 2.15 -0.09 -1.50 116.67 126.08 1syr s ASP 32 Ca -0.03 -0.71 -0.21 0.00 0.43 0.00 0.00 52.55 52.03 1syr s ASP 32 Cb -0.11 -2.06 0.04 0.00 -0.30 0.00 0.00 42.92 40.49 1syr s ASP 32 CO 0.02 -0.30 0.75 -0.36 -0.17 0.00 0.00 175.17 175.10 1syr s PHE 33 N 1.63 2.96 0.31 -5.34 0.08 0.52 -1.11 117.98 117.03 1syr s PHE 33 Ca 0.04 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 56.92 1syr s PHE 33 Cb -0.18 -3.69 -0.06 0.00 -0.57 0.00 0.00 43.02 38.52 1syr s PHE 33 CO 0.08 -1.10 0.05 -0.59 -0.10 0.00 0.00 175.22 173.56 1syr s PHE 34 N 3.16 1.88 0.05 0.36 -0.71 0.28 -2.78 117.98 120.21 1syr s PHE 34 Ca 0.23 -0.97 -0.19 0.00 -1.04 0.00 0.00 56.93 54.97 1syr s PHE 34 Cb -0.15 -1.20 0.04 0.00 -1.21 0.00 0.00 43.02 40.50 1syr s PHE 34 CO 0.17 -0.02 0.43 0.00 -1.34 0.00 0.00 175.22 174.45 1syr s ALA 35 N -3.35 -1.05 -0.15 1.99 0.00 -1.26 -0.63 121.76 117.32 1syr s ALA 35 Ca 0.36 0.34 0.29 0.00 0.00 0.00 0.00 51.96 52.95 1syr s ALA 35 Cb 0.08 0.36 0.99 0.00 0.00 0.00 0.00 23.12 24.55 1syr s ALA 35 CO 0.15 -0.47 1.84 0.93 0.00 0.00 0.00 175.76 178.21 1syr h GLU 36 N 2.97 0.00 -0.04 0.00 4.39 -2.00 -2.26 114.58 117.64 1syr h GLU 36 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1syr h GLU 36 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1syr h GLU 36 CO 0.43 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.61 1syr n TRP 37 N -2.99 0.05 -3.94 4.33 4.27 -1.26 -4.76 117.44 113.14 1syr n TRP 37 Ca 0.02 -0.02 -0.34 0.00 -3.89 0.00 0.00 57.50 53.26 1syr n TRP 37 Cb 0.38 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.19 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 7.94 -0.92 -0.04 0.00 0.00 -1.85 -2.73 103.07 105.46 1syr h GLY 39 Ca -0.19 0.44 0.23 0.00 0.00 0.00 0.00 47.33 47.80 1syr h GLY 39 CO 0.53 -0.32 0.61 -2.55 0.00 0.00 0.00 176.54 174.80 1syr h PRO 40 N -0.81 0.61 -0.49 4.80 0.11 -1.95 -0.62 132.00 133.65 1syr h PRO 40 Ca -0.04 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.06 1syr h PRO 40 Cb 0.71 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.65 1syr h PRO 40 CO -0.04 0.41 0.28 0.00 -0.21 0.00 0.00 178.00 178.43 1syr h LYS 42 N 0.55 0.33 -0.73 0.00 1.57 -1.02 -2.69 116.57 114.57 1syr h LYS 42 Ca 0.20 -0.19 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1syr h LYS 42 Cb 0.05 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 1syr h LYS 42 CO -0.11 0.75 0.31 -0.09 -0.57 0.00 0.00 179.45 179.75 1syr h ARG 43 N 0.26 0.47 -0.02 3.15 2.43 -0.59 -3.11 114.38 116.98 1syr h ARG 43 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1syr h ARG 43 Cb 0.97 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1syr h ARG 43 CO 0.08 0.31 -0.31 1.51 -1.51 0.00 0.00 179.97 180.05 1syr n ILE 44 N -4.96 0.00 -0.03 1.20 3.06 -0.89 -4.41 119.36 113.33 1syr n ILE 44 Ca 0.13 -0.31 -0.08 0.00 -2.50 0.00 0.00 62.75 59.98 1syr n ILE 44 Cb 0.36 1.21 -0.02 0.00 0.54 0.00 0.00 39.64 41.73 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 4.11 0.03 -0.93 1.51 0.00 -1.40 -2.05 119.26 120.53 1syr h ALA 45 Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1syr h ALA 45 Cb 0.79 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 1syr h ALA 45 CO 0.00 -0.54 0.53 -1.35 0.00 0.00 0.00 179.25 177.89 1syr h PRO 46 N -0.11 0.70 -0.25 0.00 0.11 -1.78 0.19 132.00 130.86 1syr h PRO 46 Ca 0.11 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.98 1syr h PRO 46 Cb 0.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1syr h PRO 46 CO -0.25 0.46 -0.59 0.35 -0.21 0.00 0.00 178.00 177.76 1syr h PHE 47 N 0.72 1.05 -0.37 0.65 3.57 -1.81 -1.35 116.94 119.39 1syr h PHE 47 Ca 0.52 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1syr h PHE 47 Cb 0.75 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1syr h PHE 47 CO -0.05 1.21 0.25 -0.92 -2.23 0.00 0.00 178.31 176.57 1syr h TYR 48 N 0.62 0.47 -0.47 0.41 3.20 -0.59 -0.18 116.97 120.43 1syr h TYR 48 Ca 0.00 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1syr h TYR 48 Cb 1.20 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1syr h TYR 48 CO 0.07 0.29 -0.05 0.93 -1.64 0.00 0.00 178.16 177.76 1syr h GLU 49 N 0.50 0.82 -0.33 1.82 3.07 -0.96 -2.28 114.58 117.22 1syr h GLU 49 Ca 0.14 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 1syr h GLU 49 Cb -0.06 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 1syr h GLU 49 CO -0.03 0.86 0.18 0.93 -1.40 0.00 0.00 179.01 179.54 1syr h GLU 50 N 0.75 0.46 -0.68 2.33 4.39 -0.92 -3.10 114.58 117.82 1syr h GLU 50 Ca 0.14 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1syr h GLU 50 Cb 0.53 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1syr h GLU 50 CO 0.03 0.39 0.18 0.00 -1.16 0.00 0.00 179.01 178.45 1syr h SER 52 N 1.01 0.04 1.30 0.00 4.64 -1.33 0.20 113.55 119.41 1syr h SER 52 Ca 0.21 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.41 1syr h SER 52 Cb 0.35 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1syr h SER 52 CO -0.00 0.02 -0.63 0.11 -0.87 0.00 0.00 176.83 175.46 1syr h LYS 53 N 0.04 0.00 0.03 4.77 1.57 -1.53 -3.38 116.57 118.08 1syr h LYS 53 Ca 0.35 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.78 1syr h LYS 53 Cb 1.34 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.61 1syr h LYS 53 CO -0.02 0.63 -1.98 2.41 -0.57 0.00 0.00 179.45 179.92 1syr n THR 54 N -3.29 1.59 -2.42 -0.16 -1.04 0.26 -4.57 114.28 104.65 1syr n THR 54 Ca 0.01 -0.37 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 1syr n THR 54 Cb 0.77 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1syr n THR 54 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1syr n TYR 55 N -3.95 3.55 0.25 -1.42 4.01 0.44 -4.77 117.16 115.27 1syr n TYR 55 Ca -0.40 -2.94 0.13 0.00 -0.16 0.00 0.00 57.90 54.52 1syr n TYR 55 Cb 0.88 -2.10 0.60 0.00 -0.31 0.00 0.00 39.34 38.40 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 4.06 0.42 0.00 -0.72 1.03 -1.80 -3.06 112.91 112.84 1syr h THR 56 Ca 0.40 -0.82 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1syr h THR 56 Cb 0.70 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 1syr h THR 56 CO 1.56 0.14 0.00 0.29 -0.01 0.00 0.00 175.52 177.50 1syr n LYS 57 N -3.37 0.79 -3.84 0.00 5.02 -1.26 -4.74 118.16 110.76 1syr n LYS 57 Ca -0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 1syr n LYS 57 Cb 0.35 -1.09 -0.13 0.00 -0.02 0.00 0.00 35.03 34.14 1syr n LYS 57 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1syr s MET 58 N -2.00 0.10 -0.12 1.97 1.75 -1.16 -4.76 119.30 115.08 1syr s MET 58 Ca 0.07 0.12 -0.20 0.00 -1.25 0.00 0.00 55.69 54.43 1syr s MET 58 Cb 0.03 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.71 1syr s MET 58 CO 0.05 -0.01 0.58 0.08 -0.65 0.00 0.00 175.02 175.07 1syr s VAL 59 N 0.07 5.11 -0.23 10.11 1.01 0.25 -4.93 120.40 131.78 1syr s VAL 59 Ca -0.00 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 1syr s VAL 59 Cb -0.01 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1syr s VAL 59 CO 0.00 0.25 0.11 -0.36 0.00 0.00 0.00 175.10 175.11 1syr s PHE 60 N 0.99 3.22 0.15 5.22 0.40 -1.26 -0.07 117.98 126.63 1syr s PHE 60 Ca 0.30 0.00 0.04 0.00 -0.60 0.00 0.00 56.93 56.67 1syr s PHE 60 Cb -0.16 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1syr s PHE 60 CO 0.13 -0.05 -0.08 0.96 0.70 0.00 0.00 175.22 176.87 1syr s ILE 61 N 1.12 1.06 -0.06 0.64 -4.36 -0.06 -3.92 121.20 115.62 1syr s ILE 61 Ca 0.06 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 1syr s ILE 61 Cb -0.14 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 41.69 1syr s ILE 61 CO 0.04 -0.73 -0.24 -0.54 0.24 0.00 0.00 174.94 173.71 1syr s LYS 62 N -3.78 2.53 -0.15 0.37 1.02 0.45 -0.91 119.74 119.26 1syr s LYS 62 Ca 0.17 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1syr s LYS 62 Cb 0.03 -2.13 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1syr s LYS 62 CO 0.00 0.36 -0.18 0.08 -0.92 0.00 0.00 175.35 174.70 1syr s VAL 63 N -0.12 1.83 -0.32 3.17 1.01 -0.27 -0.65 120.40 125.06 1syr s VAL 63 Ca -0.05 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1syr s VAL 63 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1syr s VAL 63 CO 0.04 0.50 0.93 -0.62 0.00 0.00 0.00 175.10 175.96 1syr s ASP 64 N 1.23 6.79 0.59 3.32 -1.08 -1.25 -0.56 116.67 125.71 1syr s ASP 64 Ca 0.01 0.84 0.29 0.00 -0.52 0.00 0.00 52.55 53.18 1syr s ASP 64 Cb -0.14 -2.48 1.77 0.00 -1.46 0.00 0.00 42.92 40.62 1syr s ASP 64 CO -0.09 -0.76 2.21 -0.37 0.52 0.00 0.00 175.17 176.69 1syr h VAL 65 N 5.67 0.52 0.08 1.11 -1.51 -1.21 -0.14 116.25 120.77 1syr h VAL 65 Ca -0.22 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 64.92 1syr h VAL 65 Cb 1.08 0.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1syr h VAL 65 CO 0.96 0.00 -1.81 0.44 -1.23 0.00 0.00 177.57 175.93 1syr h ASP 66 N 0.00 0.26 -0.39 4.19 3.32 -1.92 -3.14 116.42 118.75 1syr h ASP 66 Ca 0.02 -0.53 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1syr h ASP 66 Cb 0.13 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1syr h ASP 66 CO -0.00 1.47 0.16 -0.08 -1.72 0.00 0.00 179.24 179.07 1syr h GLU 67 N 0.04 0.63 -1.99 3.56 4.81 -1.46 -3.11 114.58 117.08 1syr h GLU 67 Ca -0.34 -0.09 -0.55 0.00 -0.13 0.00 0.00 59.36 58.25 1syr h GLU 67 Cb 2.02 -0.12 -0.41 0.00 0.63 0.00 0.00 28.75 30.88 1syr h GLU 67 CO 0.10 0.54 -0.83 0.28 -0.73 0.00 0.00 179.01 178.36 1syr n VAL 68 N -4.35 2.03 0.01 0.32 0.31 -0.47 -4.90 118.33 111.28 1syr n VAL 68 Ca 0.03 -5.04 0.15 0.00 -0.01 0.00 0.00 64.34 59.47 1syr n VAL 68 Cb 0.16 -0.94 0.60 0.00 -0.91 0.00 0.00 33.84 32.75 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 2.92 0.15 -0.99 4.52 4.64 -1.49 0.74 113.55 124.05 1syr h SER 69 Ca 0.13 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.58 1syr h SER 69 Cb 0.74 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 1syr h SER 69 CO 0.72 0.09 0.62 -0.33 -0.87 0.00 0.00 176.83 177.07 1syr h GLU 70 N 0.17 0.92 -0.17 4.77 3.07 -1.90 -1.19 114.58 120.25 1syr h GLU 70 Ca 0.22 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.85 1syr h GLU 70 Cb 0.65 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1syr h GLU 70 CO -0.03 0.61 -0.59 0.28 -1.40 0.00 0.00 179.01 177.87 1syr h VAL 71 N 0.95 1.31 0.00 3.13 2.07 -1.24 -3.11 116.25 119.36 1syr h VAL 71 Ca 0.49 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 1syr h VAL 71 Cb 0.53 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1syr h VAL 71 CO -0.26 0.57 -0.49 0.71 0.02 0.00 0.00 177.57 178.12 1syr h THR 72 N 0.39 1.10 -0.06 2.57 1.35 -1.05 0.26 112.91 117.46 1syr h THR 72 Ca -0.03 -1.85 -0.17 0.00 -0.55 0.00 0.00 66.41 63.81 1syr h THR 72 Cb 1.22 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 1syr h THR 72 CO 0.13 0.48 -0.69 -0.33 -0.25 0.00 0.00 175.52 174.86 1syr h GLU 73 N 0.00 0.29 0.03 4.72 4.39 -1.36 -1.37 114.58 121.28 1syr h GLU 73 Ca -0.00 -0.23 -0.26 0.00 0.34 0.00 0.00 59.36 59.20 1syr h GLU 73 Cb 1.04 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1syr h GLU 73 CO 0.06 0.87 -1.07 -0.22 -1.16 0.00 0.00 179.01 177.50 1syr h LYS 74 N 0.20 0.59 -0.07 2.33 1.63 -1.35 -3.21 116.57 116.70 1syr h LYS 74 Ca -0.02 -0.68 0.00 0.00 -0.85 0.00 0.00 60.65 59.10 1syr h LYS 74 Cb 1.24 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1syr h LYS 74 CO 0.11 1.28 0.00 0.39 -3.45 0.00 0.00 179.45 177.78 1syr n GLU 75 N -3.80 1.46 -3.34 1.90 -0.58 0.86 -4.97 120.64 112.16 1syr n GLU 75 Ca -0.10 -0.68 -0.10 0.00 -0.42 0.00 0.00 57.16 55.86 1syr n GLU 75 Cb 0.90 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 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 -0.13 -6.67 -4.49 1.62 5.15 -0.55 -4.95 115.26 105.24 1syr n ASN 76 Ca 0.18 -0.42 -0.42 0.00 -0.60 0.00 0.00 54.58 53.31 1syr n ASN 76 Cb 0.25 -3.96 -0.09 0.00 -0.53 0.00 0.00 39.78 35.45 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 -3.01 5.17 0.00 -1.44 -1.09 -1.03 -4.98 121.20 114.82 1syr s ILE 77 Ca 0.02 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1syr s ILE 77 Cb -0.01 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1syr s ILE 77 CO 0.81 -0.30 0.02 0.35 -1.23 0.00 0.00 174.94 174.58 1syr n THR 78 N 5.29 0.00 -3.48 2.92 -2.24 -1.26 -5.01 114.28 110.49 1syr n THR 78 Ca -0.09 0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.78 1syr n THR 78 Cb 0.48 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 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 -2.09 5.44 -0.04 3.42 1.04 -1.26 -5.12 113.70 115.08 1syr s SER 79 Ca 0.00 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1syr s SER 79 Cb 0.00 -0.83 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 1syr s SER 79 CO 0.00 -0.55 -0.23 -0.32 0.98 0.00 0.00 173.24 173.11 1syr s MET 80 N -4.15 2.26 0.79 4.02 1.75 -1.26 -3.75 119.30 118.96 1syr s MET 80 Ca 0.47 -0.84 -0.10 0.00 -1.25 0.00 0.00 55.69 53.97 1syr s MET 80 Cb -0.07 -1.99 0.09 0.00 2.84 0.00 0.00 34.83 35.71 1syr s MET 80 CO 0.29 0.39 1.13 -1.25 -0.65 0.00 0.00 175.02 174.94 1syr s PRO 81 N -0.24 1.84 -0.05 4.11 0.04 -1.26 -4.69 135.00 134.75 1syr s PRO 81 Ca -0.00 -0.16 0.03 0.00 0.04 0.00 0.00 61.00 60.90 1syr s PRO 81 Cb -0.12 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1syr s PRO 81 CO 0.02 -1.58 -0.12 0.99 0.04 0.00 0.00 177.00 176.35 1syr s THR 82 N -3.48 1.09 -0.14 1.26 2.01 -1.12 -2.21 115.64 113.05 1syr s THR 82 Ca 0.63 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1syr s THR 82 Cb -0.10 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1syr s THR 82 CO 0.48 0.34 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.35 1syr s PHE 83 N 0.48 3.04 0.00 4.92 0.40 -0.43 -0.35 117.98 126.04 1syr s PHE 83 Ca -0.10 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.09 1syr s PHE 83 Cb -0.14 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1syr s PHE 83 CO 0.03 0.05 -0.22 0.15 0.70 0.00 0.00 175.22 175.93 1syr s LYS 84 N 0.15 1.66 -0.05 0.44 1.02 -0.57 -0.17 119.74 122.22 1syr s LYS 84 Ca -0.01 -0.83 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1syr s LYS 84 Cb -0.14 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 1syr s LYS 84 CO 0.03 0.45 -0.11 0.14 -0.92 0.00 0.00 175.35 174.93 1syr s VAL 85 N -0.59 3.35 -0.09 3.17 -7.23 -0.28 -0.66 120.40 118.07 1syr s VAL 85 Ca 0.08 -0.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1syr s VAL 85 Cb -0.08 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1syr s VAL 85 CO -0.00 0.58 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.84 1syr s TYR 86 N -0.78 2.59 -0.24 2.82 1.51 0.17 -1.85 117.35 121.55 1syr s TYR 86 Ca 0.12 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.37 1syr s TYR 86 Cb -0.11 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1syr s TYR 86 CO 0.01 -0.29 -0.12 0.21 -1.11 0.00 0.00 175.55 174.25 1syr s LYS 87 N 0.15 2.47 -1.40 -0.62 2.36 0.12 -1.86 119.74 120.95 1syr s LYS 87 Ca -0.12 -1.20 -0.07 0.00 -2.55 0.00 0.00 55.97 52.03 1syr s LYS 87 Cb -0.16 -2.84 0.04 0.00 -1.05 0.00 0.00 37.83 33.81 1syr s LYS 87 CO 0.06 -0.48 0.93 0.09 1.55 0.00 0.00 175.35 177.51 1syr n ASN 88 N 4.50 -3.67 0.00 1.43 3.02 -0.59 -2.66 115.26 117.30 1syr n ASN 88 Ca -0.16 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1syr n ASN 88 Cb 0.44 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 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 -1.66 0.83 3.39 7.41 0.00 -1.23 -5.01 105.19 108.92 1syr n GLY 89 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1syr n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1syr s SER 90 N -2.75 3.38 -0.11 1.61 0.15 -1.09 -4.86 113.70 110.03 1syr s SER 90 Ca 0.00 -0.57 -0.30 0.00 0.70 0.00 0.00 55.95 55.78 1syr s SER 90 Cb 0.00 -0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1syr s SER 90 CO 0.00 0.24 1.32 -0.55 1.20 0.00 0.00 173.24 175.45 1syr s SER 91 N -1.45 6.92 -0.04 5.45 0.15 -1.26 -0.71 113.70 122.76 1syr s SER 91 Ca 0.13 1.84 0.06 0.00 0.70 0.00 0.00 55.95 58.69 1syr s SER 91 Cb -0.10 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.57 1syr s SER 91 CO 0.04 -0.74 0.09 1.33 1.20 0.00 0.00 173.24 175.16 1syr n VAL 92 N 5.14 0.22 -3.70 4.45 0.24 -0.77 -4.94 118.33 118.96 1syr n VAL 92 Ca 0.14 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 1syr n VAL 92 Cb 0.45 -0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.49 1syr n VAL 92 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1syr s ASP 93 N -3.29 -0.54 -0.03 -1.34 2.15 -1.23 -5.03 116.67 107.35 1syr s ASP 93 Ca -0.03 1.01 0.03 0.00 0.43 0.00 0.00 52.55 53.99 1syr s ASP 93 Cb 0.03 0.98 0.00 0.00 -0.30 0.00 0.00 42.92 43.64 1syr s ASP 93 CO 0.28 -0.18 -0.12 0.42 -0.17 0.00 0.00 175.17 175.40 1syr s THR 94 N 0.58 1.02 -0.11 1.71 -4.23 -1.26 -1.12 115.64 112.23 1syr s THR 94 Ca -0.03 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1syr s THR 94 Cb -0.05 -0.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1syr s THR 94 CO -0.03 0.31 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.93 1syr s LEU 95 N 0.11 2.32 -0.16 4.79 2.96 0.76 -4.99 118.68 124.46 1syr s LEU 95 Ca -0.03 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1syr s LEU 95 Cb -0.09 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1syr s LEU 95 CO 0.01 0.17 0.05 -0.76 -1.32 0.00 0.00 176.35 174.50 1syr s LEU 96 N 0.27 3.79 0.00 -0.68 1.02 -1.26 -1.31 118.68 120.50 1syr s LEU 96 Ca -0.14 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1syr s LEU 96 Cb -0.17 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.10 1syr s LEU 96 CO 0.07 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.27 1syr n GLY 97 N 3.21 1.83 2.78 -3.19 0.00 -0.94 -4.90 105.19 103.98 1syr n GLY 97 Ca -0.17 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 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 0.66 4.64 -3.18 4.61 0.00 -1.26 -4.62 120.51 121.37 1syr n ALA 98 Ca 0.00 -4.72 -0.37 0.00 0.00 0.00 0.00 53.44 48.35 1syr n ALA 98 Cb 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.01 5.06 0.23 0.00 3.84 -1.26 -4.90 114.94 114.89 1syr s ASN 99 Ca 0.45 -0.57 -0.07 0.00 0.21 0.00 0.00 52.86 52.88 1syr s ASN 99 Cb 0.23 -1.88 0.39 0.00 -0.55 0.00 0.00 41.25 39.44 1syr s ASN 99 CO -0.10 -0.14 1.69 0.44 -2.79 0.00 0.00 177.10 176.20 1syr h ASP 100 N 8.23 -0.00 -0.58 -4.21 5.19 -1.98 0.12 116.42 123.18 1syr h ASP 100 Ca -0.34 0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.26 1syr h ASP 100 Cb 1.14 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.78 1syr h ASP 100 CO 0.60 -0.02 0.31 0.28 -3.12 0.00 0.00 179.24 177.29 1syr h SER 101 N 0.26 0.45 0.85 6.45 0.02 -2.00 -1.30 113.55 118.28 1syr h SER 101 Ca 0.37 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 61.18 1syr h SER 101 Cb 0.60 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1syr h SER 101 CO -0.47 0.30 -0.83 0.00 -1.14 0.00 0.00 176.83 174.69 1syr h ALA 102 N 1.31 0.62 -0.09 3.77 0.00 -1.69 -2.39 119.26 120.79 1syr h ALA 102 Ca 0.26 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1syr h ALA 102 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1syr h ALA 102 CO -0.17 1.04 -0.82 1.25 0.00 0.00 0.00 179.25 180.55 1syr h LEU 103 N 0.00 0.71 -0.39 0.00 5.85 -0.84 -2.27 115.31 118.36 1syr h LEU 103 Ca -0.01 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1syr h LEU 103 Cb 1.48 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1syr h LEU 103 CO 0.11 1.27 0.07 0.50 -0.34 0.00 0.00 178.44 180.05 1syr h LYS 104 N 0.38 0.65 -0.57 1.25 3.64 -1.21 -2.10 116.57 118.60 1syr h LYS 104 Ca -0.06 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1syr h LYS 104 Cb 1.43 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 1syr h LYS 104 CO 0.15 0.70 0.17 1.96 -2.27 0.00 0.00 179.45 180.16 1syr h GLN 105 N 0.50 0.32 -0.08 1.90 4.20 -1.44 0.11 115.11 120.62 1syr h GLN 105 Ca 0.12 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1syr h GLN 105 Cb 0.36 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1syr h GLN 105 CO 0.01 0.21 0.05 1.25 -0.67 0.00 0.00 178.83 179.67 1syr h LEU 106 N 0.33 0.11 -0.15 1.46 5.85 -1.15 -1.87 115.31 119.89 1syr h LEU 106 Ca 0.29 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1syr h LEU 106 Cb 0.38 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1syr h LEU 106 CO -0.33 0.16 -0.30 0.16 -0.34 0.00 0.00 178.44 177.79 1syr h ILE 107 N 0.04 0.54 0.00 4.05 3.07 -1.13 -2.59 117.51 121.49 1syr h ILE 107 Ca 0.03 -1.68 -0.06 0.00 1.55 0.00 0.00 64.86 64.70 1syr h ILE 107 Cb 0.08 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 1syr h ILE 107 CO -0.00 0.30 -0.29 -0.33 -1.05 0.00 0.00 178.15 176.77 1syr h GLU 108 N 0.00 0.00 0.00 0.16 5.08 -0.72 -1.07 114.58 118.03 1syr h GLU 108 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1syr h GLU 108 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1syr h GLU 108 CO 0.04 0.29 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.07 1syr h LYS 109 N 0.00 0.00 0.00 2.33 3.64 -0.92 -3.22 116.57 118.40 1syr h LYS 109 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1syr h LYS 109 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1syr h LYS 109 CO 0.04 0.05 -0.08 0.66 -2.27 0.00 0.00 179.45 177.85 1syr n TYR 110 N -3.53 0.00 -0.93 1.91 4.01 -1.11 -5.12 117.16 112.39 1syr n TYR 110 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1syr n TYR 110 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40