#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 1.99 -3.40 5.55 4.81 -1.25 -4.77 118.16 121.08 1syr n LYS 11 Ca 0.00 0.72 -0.38 0.00 -0.87 0.00 0.00 58.31 57.78 1syr n LYS 11 Cb 0.00 -2.49 -0.07 0.00 0.02 0.00 0.00 35.03 32.48 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 1.98 5.21 -0.17 3.15 1.01 -1.26 -0.29 121.20 130.83 1syr s ILE 12 Ca 0.85 0.70 -0.20 0.00 0.00 0.00 0.00 60.65 61.99 1syr s ILE 12 Cb -0.74 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1syr s ILE 12 CO 0.45 0.26 0.60 -0.69 0.00 0.00 0.00 174.94 175.56 1syr s VAL 13 N 1.22 5.06 -1.27 2.92 1.01 0.77 -4.92 120.40 125.20 1syr s VAL 13 Ca 0.19 1.15 0.21 0.00 0.00 0.00 0.00 61.98 63.54 1syr s VAL 13 Cb -0.15 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.14 1syr s VAL 13 CO 0.08 0.18 0.95 0.35 0.00 0.00 0.00 175.10 176.65 1syr n THR 14 N 4.37 0.00 -3.96 3.92 -2.24 -1.26 -4.56 114.28 110.54 1syr n THR 14 Ca -0.03 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1syr n THR 14 Cb 0.50 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 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 -2.85 0.15 0.10 3.42 1.04 -1.26 -4.75 113.70 109.55 1syr s SER 15 Ca 0.11 -0.85 -0.27 0.00 0.48 0.00 0.00 55.95 55.42 1syr s SER 15 Cb 0.16 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 1syr s SER 15 CO 0.79 -0.78 1.65 -0.61 0.98 0.00 0.00 173.24 175.27 1syr h GLN 16 N 2.73 -0.44 -0.76 4.02 4.15 -1.94 -1.90 115.11 120.97 1syr h GLN 16 Ca -0.33 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.29 1syr h GLN 16 Cb 1.20 0.10 -0.13 0.00 0.21 0.00 0.00 27.48 28.87 1syr h GLN 16 CO 0.54 -0.29 0.08 0.00 -1.93 0.00 0.00 178.83 177.23 1syr h ALA 17 N 0.28 0.89 -0.38 3.38 0.00 -1.98 0.28 119.26 121.73 1syr h ALA 17 Ca 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1syr h ALA 17 Cb 0.46 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1syr h ALA 17 CO -0.10 -0.41 -0.29 1.49 0.00 0.00 0.00 179.25 179.94 1syr h GLU 18 N 0.16 0.83 0.95 0.00 4.81 -1.93 -0.92 114.58 118.48 1syr h GLU 18 Ca 0.43 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1syr h GLU 18 Cb 0.77 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1syr h GLU 18 CO -0.62 1.01 -0.46 0.35 -0.73 0.00 0.00 179.01 178.57 1syr h PHE 19 N 0.70 -1.18 -0.89 0.92 3.57 -0.35 -1.65 116.94 118.06 1syr h PHE 19 Ca 0.08 -0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.72 1syr h PHE 19 Cb 0.84 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 1syr h PHE 19 CO 0.05 -0.74 0.58 -0.44 -2.23 0.00 0.00 178.31 175.53 1syr h ASP 20 N -1.29 0.55 -0.04 0.41 3.32 -0.45 -1.90 116.42 117.03 1syr h ASP 20 Ca -0.13 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1syr h ASP 20 Cb 0.98 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1syr h ASP 20 CO 0.21 0.25 -0.21 -1.28 -1.72 0.00 0.00 179.24 176.50 1syr h SER 21 N 0.57 0.26 -0.42 6.45 0.87 -1.08 -2.74 113.55 117.46 1syr h SER 21 Ca 0.46 -0.65 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 1syr h SER 21 Cb 0.91 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1syr h SER 21 CO -0.20 0.87 0.08 0.40 -0.53 0.00 0.00 176.83 177.45 1syr h ILE 22 N -0.33 1.24 -0.41 2.23 2.04 -0.94 -2.68 117.51 118.66 1syr h ILE 22 Ca -0.01 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 1syr h ILE 22 Cb 0.87 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1syr h ILE 22 CO 0.04 0.30 0.04 0.40 0.00 0.00 0.00 178.15 178.93 1syr h ILE 23 N 0.54 1.21 0.00 -0.67 5.03 -1.45 -2.99 117.51 119.18 1syr h ILE 23 Ca 0.13 -0.82 -0.21 0.00 -0.12 0.00 0.00 64.86 63.84 1syr h ILE 23 Cb 0.36 0.86 -0.03 0.00 -3.03 0.00 0.00 36.82 34.98 1syr h ILE 23 CO 0.01 0.29 -1.03 0.77 -0.68 0.00 0.00 178.15 177.50 1syr h SER 24 N 0.61 0.00 -0.55 1.72 4.64 -1.35 -3.27 113.55 115.35 1syr h SER 24 Ca 0.13 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.11 1syr h SER 24 Cb 0.33 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.21 1syr h SER 24 CO 0.01 0.95 -0.09 0.00 -0.87 0.00 0.00 176.83 176.83 1syr n GLN 25 N -3.30 2.35 -3.73 4.77 10.64 -1.02 -4.80 117.38 122.28 1syr n GLN 25 Ca -0.02 -3.42 -0.16 0.00 -1.83 0.00 0.00 57.00 51.58 1syr n GLN 25 Cb 0.93 -2.00 -0.16 0.00 -0.86 0.00 0.00 30.24 28.16 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 -2.64 0.32 0.50 2.61 0.01 -1.13 -5.03 114.94 109.59 1syr s ASN 26 Ca 0.49 0.14 0.25 0.00 -0.71 0.00 0.00 52.86 53.04 1syr s ASN 26 Cb 0.43 0.02 1.35 0.00 0.41 0.00 0.00 41.25 43.45 1syr s ASN 26 CO 0.01 -0.17 2.04 1.05 -1.51 0.00 0.00 177.10 178.52 1syr h GLU 27 N 7.64 0.00 -3.44 -0.60 4.11 -1.90 -3.40 114.58 116.99 1syr h GLU 27 Ca -0.35 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.62 1syr h GLU 27 Cb 1.12 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.98 1syr h GLU 27 CO 0.36 0.14 -0.76 -0.51 0.07 0.00 0.00 179.01 178.31 1syr s LEU 28 N -7.41 0.69 -0.04 3.06 1.43 -1.26 -2.18 118.68 112.97 1syr s LEU 28 Ca -0.03 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1syr s LEU 28 Cb 0.13 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.95 1syr s LEU 28 CO 0.60 -0.28 -0.08 -0.69 0.23 0.00 0.00 176.35 176.13 1syr s VAL 29 N 1.99 0.78 -0.09 -1.59 1.01 -0.66 -1.21 120.40 120.64 1syr s VAL 29 Ca 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1syr s VAL 29 Cb -0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1syr s VAL 29 CO -0.07 0.26 -0.04 -0.51 0.00 0.00 0.00 175.10 174.75 1syr s ILE 30 N 0.51 3.98 -0.08 2.22 2.07 0.13 0.18 121.20 130.21 1syr s ILE 30 Ca -0.08 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 1syr s ILE 30 Cb -0.12 -2.66 0.01 0.00 0.13 0.00 0.00 42.46 39.82 1syr s ILE 30 CO 0.01 0.59 -0.15 0.54 -1.91 0.00 0.00 174.94 174.02 1syr s VAL 31 N -0.70 1.39 -0.38 4.00 0.11 0.31 -1.54 120.40 123.60 1syr s VAL 31 Ca 0.11 -0.63 -0.13 0.00 -2.93 0.00 0.00 61.98 58.41 1syr s VAL 31 Cb -0.11 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1syr s VAL 31 CO 0.02 0.41 0.24 -0.62 -3.33 0.00 0.00 175.10 171.83 1syr s ASP 32 N 0.61 5.90 -0.66 3.54 2.15 -0.34 -1.91 116.67 125.96 1syr s ASP 32 Ca -0.15 -0.86 -0.23 0.00 0.43 0.00 0.00 52.55 51.73 1syr s ASP 32 Cb -0.16 -2.09 0.06 0.00 -0.30 0.00 0.00 42.92 40.43 1syr s ASP 32 CO 0.05 -0.38 1.00 -0.36 -0.17 0.00 0.00 175.17 175.31 1syr s PHE 33 N 1.63 2.64 0.56 -5.34 0.08 0.82 -1.09 117.98 117.27 1syr s PHE 33 Ca 0.04 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1syr s PHE 33 Cb -0.19 -4.31 0.04 0.00 -0.57 0.00 0.00 43.02 38.00 1syr s PHE 33 CO 0.08 -1.67 0.35 -0.59 -0.10 0.00 0.00 175.22 173.29 1syr s PHE 34 N 4.28 1.51 -0.25 0.36 -0.71 -0.16 -3.02 117.98 119.98 1syr s PHE 34 Ca 0.25 -0.91 -0.26 0.00 -1.04 0.00 0.00 56.93 54.97 1syr s PHE 34 Cb -0.15 -1.83 0.10 0.00 -1.21 0.00 0.00 43.02 39.93 1syr s PHE 34 CO 0.12 -0.42 0.92 0.00 -1.34 0.00 0.00 175.22 174.50 1syr s ALA 35 N -2.83 -1.90 0.40 1.99 0.00 -1.26 -1.03 121.76 117.13 1syr s ALA 35 Ca 0.26 1.85 0.28 0.00 0.00 0.00 0.00 51.96 54.35 1syr s ALA 35 Cb -0.02 -1.19 1.47 0.00 0.00 0.00 0.00 23.12 23.38 1syr s ALA 35 CO 0.17 -0.28 2.07 0.93 0.00 0.00 0.00 175.76 178.65 1syr h GLU 36 N 4.15 0.00 -0.04 0.00 4.39 -2.00 -1.93 114.58 119.14 1syr h GLU 36 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1syr h GLU 36 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1syr h GLU 36 CO 0.13 0.11 0.00 -2.67 -1.16 0.00 0.00 179.01 175.42 1syr n TRP 37 N -3.59 0.06 -3.99 4.33 4.27 -1.26 -4.76 117.44 112.49 1syr n TRP 37 Ca -0.02 -0.03 -0.33 0.00 -3.89 0.00 0.00 57.50 53.23 1syr n TRP 37 Cb 0.24 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.05 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 7.89 0.26 0.76 0.00 0.00 -1.86 -2.91 103.07 107.21 1syr h GLY 39 Ca -0.21 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.14 1syr h GLY 39 CO 0.50 0.03 0.62 -2.55 0.00 0.00 0.00 176.54 175.14 1syr h PRO 40 N 0.18 1.04 -0.33 4.80 0.11 -1.95 -1.61 132.00 134.24 1syr h PRO 40 Ca 0.09 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1syr h PRO 40 Cb 0.05 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 1syr h PRO 40 CO -0.09 0.69 0.08 0.00 -0.21 0.00 0.00 178.00 178.47 1syr h LYS 42 N 0.20 0.98 -0.52 0.00 1.57 -1.22 -2.55 116.57 115.04 1syr h LYS 42 Ca 0.15 -0.21 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1syr h LYS 42 Cb 0.16 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 1syr h LYS 42 CO -0.19 0.86 0.09 -0.09 -0.57 0.00 0.00 179.45 179.55 1syr h ARG 43 N 0.94 0.21 -0.00 3.15 2.43 -0.90 -3.08 114.38 117.13 1syr h ARG 43 Ca 0.20 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1syr h ARG 43 Cb 0.31 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1syr h ARG 43 CO -0.00 0.14 -0.38 1.51 -1.51 0.00 0.00 179.97 179.72 1syr n ILE 44 N -5.14 0.00 0.01 1.20 3.06 -0.97 -4.37 119.36 113.16 1syr n ILE 44 Ca 0.06 -0.06 -0.10 0.00 -2.50 0.00 0.00 62.75 60.15 1syr n ILE 44 Cb 0.26 0.31 -0.04 0.00 0.54 0.00 0.00 39.64 40.71 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 3.32 -0.00 -0.85 1.51 0.00 -1.36 -1.49 119.26 120.38 1syr h ALA 45 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1syr h ALA 45 Cb 0.50 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1syr h ALA 45 CO 0.00 -0.54 0.55 -1.35 0.00 0.00 0.00 179.25 177.91 1syr h PRO 46 N -0.09 0.76 -0.41 0.00 0.11 -1.78 0.11 132.00 130.69 1syr h PRO 46 Ca 0.06 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 1syr h PRO 46 Cb 0.18 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1syr h PRO 46 CO -0.14 0.50 -0.07 0.35 -0.21 0.00 0.00 178.00 178.43 1syr h PHE 47 N 0.79 0.87 0.04 0.65 3.57 -1.71 -1.10 116.94 120.04 1syr h PHE 47 Ca 0.40 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1syr h PHE 47 Cb 0.48 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1syr h PHE 47 CO -0.00 0.89 -0.02 -0.92 -2.23 0.00 0.00 178.31 176.03 1syr h TYR 48 N 0.60 -0.05 -0.76 0.41 3.20 -0.21 -1.03 116.97 119.13 1syr h TYR 48 Ca 0.11 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.13 1syr h TYR 48 Cb 0.59 0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.77 1syr h TYR 48 CO 0.05 -0.02 0.27 1.49 -1.64 0.00 0.00 178.16 178.31 1syr h GLU 49 N -0.07 0.38 -0.48 1.82 4.81 -0.74 -1.83 114.58 118.47 1syr h GLU 49 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1syr h GLU 49 Cb 0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1syr h GLU 49 CO 0.01 0.25 0.22 1.49 -0.73 0.00 0.00 179.01 180.25 1syr h GLU 50 N 0.39 0.70 -0.45 1.92 4.57 -0.68 -3.04 114.58 117.98 1syr h GLU 50 Ca 0.43 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.39 1syr h GLU 50 Cb 0.69 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 1syr h GLU 50 CO -0.45 0.60 -0.15 0.00 -1.18 0.00 0.00 179.01 177.83 1syr h SER 52 N 0.76 0.00 0.44 0.00 4.64 -1.24 0.17 113.55 118.31 1syr h SER 52 Ca 0.12 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.13 1syr h SER 52 Cb 0.68 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1syr h SER 52 CO 0.05 0.00 -1.35 0.11 -0.87 0.00 0.00 176.83 174.77 1syr h LYS 53 N 0.00 0.42 0.05 4.77 1.57 -1.35 -3.39 116.57 118.64 1syr h LYS 53 Ca 0.01 -0.70 -0.34 0.00 -1.87 0.00 0.00 60.65 57.76 1syr h LYS 53 Cb 0.14 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1syr h LYS 53 CO -0.00 1.33 -1.95 0.25 -0.57 0.00 0.00 179.45 178.51 1syr n THR 54 N -3.63 1.65 -2.44 -0.16 -2.24 -0.43 -4.54 114.28 102.49 1syr n THR 54 Ca -0.13 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 1syr n THR 54 Cb 1.06 -1.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.21 2.67 0.51 4.78 4.01 0.47 -4.80 117.16 121.59 1syr n TYR 55 Ca -0.27 -2.72 0.09 0.00 -0.16 0.00 0.00 57.90 54.84 1syr n TYR 55 Cb 1.06 -1.70 0.38 0.00 -0.31 0.00 0.00 39.34 38.77 1syr n TYR 55 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1syr n THR 56 N 2.25 0.88 0.49 -0.72 -2.24 -1.26 -2.29 114.28 111.38 1syr n THR 56 Ca 0.42 0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.51 1syr n THR 56 Cb 0.32 -1.00 0.40 0.00 -2.10 0.00 0.00 70.33 67.96 1syr n THR 56 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1syr n LYS 57 N -1.71 0.09 -4.95 -0.78 5.02 -1.26 -4.75 118.16 109.82 1syr n LYS 57 Ca 0.03 0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 56.35 1syr n LYS 57 Cb 0.20 -1.66 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 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 -3.13 1.68 -0.15 1.97 1.75 -0.97 -4.69 119.30 115.76 1syr s MET 58 Ca 0.06 -0.86 -0.21 0.00 -1.25 0.00 0.00 55.69 53.43 1syr s MET 58 Cb 0.10 -1.69 -0.03 0.00 2.84 0.00 0.00 34.83 36.05 1syr s MET 58 CO 0.34 0.45 0.63 0.08 -0.65 0.00 0.00 175.02 175.88 1syr s VAL 59 N -0.62 5.05 -0.24 10.11 1.01 -0.35 -4.96 120.40 130.40 1syr s VAL 59 Ca 0.09 1.24 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 1syr s VAL 59 Cb -0.09 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1syr s VAL 59 CO 0.00 0.18 0.12 -0.36 0.00 0.00 0.00 175.10 175.04 1syr s PHE 60 N 1.40 3.21 0.17 5.22 0.40 -1.26 -0.69 117.98 126.43 1syr s PHE 60 Ca 0.31 -0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1syr s PHE 60 Cb -0.16 -2.24 -0.05 0.00 0.51 0.00 0.00 43.02 41.08 1syr s PHE 60 CO 0.13 -0.09 -0.06 0.96 0.70 0.00 0.00 175.22 176.86 1syr s ILE 61 N 1.22 1.04 0.02 0.64 -4.36 -0.59 -3.95 121.20 115.23 1syr s ILE 61 Ca 0.06 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.48 1syr s ILE 61 Cb -0.14 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1syr s ILE 61 CO 0.05 -0.60 -0.20 -0.54 0.24 0.00 0.00 174.94 173.89 1syr s LYS 62 N -3.81 1.42 -0.08 0.37 1.02 0.61 -1.20 119.74 118.06 1syr s LYS 62 Ca 0.21 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1syr s LYS 62 Cb 0.04 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1syr s LYS 62 CO 0.03 0.38 -0.06 0.08 -0.92 0.00 0.00 175.35 174.86 1syr s VAL 63 N -0.68 0.82 -0.20 3.17 1.01 -0.25 -0.16 120.40 124.10 1syr s VAL 63 Ca 0.07 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1syr s VAL 63 Cb -0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1syr s VAL 63 CO 0.01 0.31 0.96 -0.62 0.00 0.00 0.00 175.10 175.76 1syr s ASP 64 N 1.35 7.05 0.39 3.32 -1.08 -1.26 -0.99 116.67 125.44 1syr s ASP 64 Ca -0.03 1.30 0.14 0.00 -0.52 0.00 0.00 52.55 53.44 1syr s ASP 64 Cb -0.14 -2.51 0.79 0.00 -1.46 0.00 0.00 42.92 39.61 1syr s ASP 64 CO -0.03 -0.55 1.86 -0.37 0.52 0.00 0.00 175.17 176.60 1syr h VAL 65 N 5.34 1.21 0.10 1.11 -1.51 -1.42 -0.70 116.25 120.38 1syr h VAL 65 Ca -0.24 -1.14 -0.29 0.00 -1.23 0.00 0.00 66.70 63.80 1syr h VAL 65 Cb 1.09 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 1syr h VAL 65 CO 0.91 0.32 -1.48 0.44 -1.23 0.00 0.00 177.57 176.54 1syr h ASP 66 N 0.00 0.32 -0.60 4.19 3.32 -1.92 -2.76 116.42 118.97 1syr h ASP 66 Ca -0.00 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 56.63 1syr h ASP 66 Cb 0.59 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1syr h ASP 66 CO 0.04 1.36 0.38 -0.08 -1.72 0.00 0.00 179.24 179.23 1syr h GLU 67 N 0.06 0.74 -2.25 3.56 4.81 -1.63 -3.12 114.58 116.75 1syr h GLU 67 Ca -0.22 -0.04 -0.60 0.00 -0.13 0.00 0.00 59.36 58.37 1syr h GLU 67 Cb 1.99 -0.17 -0.41 0.00 0.63 0.00 0.00 28.75 30.79 1syr h GLU 67 CO 0.15 0.49 -0.58 0.28 -0.73 0.00 0.00 179.01 178.62 1syr n VAL 68 N -4.71 3.16 -0.28 0.32 0.31 -0.39 -4.91 118.33 111.84 1syr n VAL 68 Ca 0.05 -5.57 -0.02 0.00 -0.01 0.00 0.00 64.34 58.79 1syr n VAL 68 Cb 0.06 -1.40 0.01 0.00 -0.91 0.00 0.00 33.84 31.60 1syr n VAL 68 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1syr n SER 69 N -0.26 -0.51 -0.34 4.52 7.64 -1.04 -0.99 113.62 122.64 1syr n SER 69 Ca 0.32 1.25 0.22 0.00 1.01 0.00 0.00 58.87 61.66 1syr n SER 69 Cb 0.40 -0.26 0.46 0.00 -1.01 0.00 0.00 64.21 63.79 1syr n SER 69 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1syr h GLU 70 N 0.00 0.42 0.23 1.43 3.07 -1.91 0.15 114.58 117.96 1syr h GLU 70 Ca 0.22 -0.02 -0.33 0.00 -0.50 0.00 0.00 59.36 58.73 1syr h GLU 70 Cb 0.40 -0.09 0.03 0.00 -0.84 0.00 0.00 28.75 28.25 1syr h GLU 70 CO -0.70 0.27 -1.47 0.28 -1.40 0.00 0.00 179.01 176.00 1syr h VAL 71 N 0.43 1.29 -0.39 3.13 2.07 -1.43 -2.83 116.25 118.51 1syr h VAL 71 Ca 0.68 -2.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 1syr h VAL 71 Cb 1.52 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 34.28 1syr h VAL 71 CO -0.49 0.83 0.10 0.71 0.02 0.00 0.00 177.57 178.74 1syr h THR 72 N 0.13 1.23 -0.32 2.57 1.35 -0.36 0.21 112.91 117.72 1syr h THR 72 Ca -0.24 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 64.76 1syr h THR 72 Cb 2.13 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.52 1syr h THR 72 CO 0.26 0.27 -0.15 -0.33 -0.25 0.00 0.00 175.52 175.31 1syr h GLU 73 N 0.49 0.57 -0.07 4.72 4.39 -1.08 -0.17 114.58 123.42 1syr h GLU 73 Ca 0.12 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 1syr h GLU 73 Cb 0.30 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1syr h GLU 73 CO 0.00 0.70 -0.73 0.87 -1.16 0.00 0.00 179.01 178.70 1syr h LYS 74 N 0.52 0.37 -0.01 2.33 6.56 -1.24 -3.07 116.57 122.03 1syr h LYS 74 Ca 0.09 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1syr h LYS 74 Cb 0.56 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1syr h LYS 74 CO 0.04 0.95 -0.03 0.39 -2.06 0.00 0.00 179.45 178.73 1syr n GLU 75 N -3.83 1.36 -3.34 3.15 -0.58 0.73 -4.98 120.64 113.15 1syr n GLU 75 Ca -0.04 -0.65 -0.10 0.00 -0.42 0.00 0.00 57.16 55.95 1syr n GLU 75 Cb 0.70 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.25 -6.66 -4.60 1.62 5.15 -0.10 -4.98 115.26 105.43 1syr n ASN 76 Ca 0.19 -0.41 -0.39 0.00 -0.60 0.00 0.00 54.58 53.37 1syr n ASN 76 Cb 0.29 -3.90 -0.10 0.00 -0.53 0.00 0.00 39.78 35.55 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 -2.98 5.21 -0.19 -1.44 -1.09 -1.04 -4.98 121.20 114.68 1syr s ILE 77 Ca 0.00 0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 58.73 1syr s ILE 77 Cb -0.00 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.15 1syr s ILE 77 CO 0.81 0.18 -0.29 0.35 -1.23 0.00 0.00 174.94 174.76 1syr n THR 78 N 5.10 1.49 -3.43 2.92 -2.24 -1.26 -4.97 114.28 111.90 1syr n THR 78 Ca -0.10 0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 1syr n THR 78 Cb 0.51 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 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 -6.17 5.07 -0.04 3.42 1.04 -1.26 -5.13 113.70 110.63 1syr s SER 79 Ca -0.28 -0.82 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 1syr s SER 79 Cb 0.05 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1syr s SER 79 CO 0.41 -0.92 0.03 -0.32 0.98 0.00 0.00 173.24 173.42 1syr s MET 80 N -4.32 0.15 0.78 4.02 1.75 -1.26 -3.88 119.30 116.54 1syr s MET 80 Ca 0.49 0.24 -0.08 0.00 -1.25 0.00 0.00 55.69 55.09 1syr s MET 80 Cb -0.05 -0.58 0.10 0.00 2.84 0.00 0.00 34.83 37.15 1syr s MET 80 CO 0.30 -0.27 1.10 -1.25 -0.65 0.00 0.00 175.02 174.25 1syr s PRO 81 N 1.80 1.74 -0.04 4.11 0.04 -1.26 -4.72 135.00 136.67 1syr s PRO 81 Ca 0.01 -0.38 0.02 0.00 0.04 0.00 0.00 61.00 60.70 1syr s PRO 81 Cb -0.12 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1syr s PRO 81 CO -0.03 -1.58 -0.10 0.99 0.04 0.00 0.00 177.00 176.32 1syr s THR 82 N -3.42 0.92 -0.20 1.26 2.01 -1.17 -1.23 115.64 113.82 1syr s THR 82 Ca 0.64 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 1syr s THR 82 Cb -0.08 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1syr s THR 82 CO 0.47 0.29 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.30 1syr s PHE 83 N 0.37 2.98 -0.07 4.92 0.40 -0.28 -0.13 117.98 126.18 1syr s PHE 83 Ca -0.07 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1syr s PHE 83 Cb -0.11 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 1syr s PHE 83 CO 0.01 -0.34 -0.21 0.15 0.70 0.00 0.00 175.22 175.53 1syr s LYS 84 N 1.08 2.75 -0.00 0.44 1.02 -0.81 -0.16 119.74 124.05 1syr s LYS 84 Ca 0.02 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.18 1syr s LYS 84 Cb -0.15 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1syr s LYS 84 CO 0.00 0.37 0.05 0.14 -0.92 0.00 0.00 175.35 174.99 1syr s VAL 85 N -0.11 4.51 -0.09 3.17 -7.23 -0.36 -0.53 120.40 119.76 1syr s VAL 85 Ca -0.04 -0.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1syr s VAL 85 Cb -0.14 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1syr s VAL 85 CO 0.04 0.36 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.68 1syr s TYR 86 N -1.15 2.21 -0.21 2.82 1.51 0.13 -1.02 117.35 121.64 1syr s TYR 86 Ca 0.21 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 1syr s TYR 86 Cb -0.12 -1.50 0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1syr s TYR 86 CO 0.12 -0.37 -0.16 0.21 -1.11 0.00 0.00 175.55 174.25 1syr s LYS 87 N 0.42 2.75 -1.58 -0.62 2.20 -0.67 -1.65 119.74 120.58 1syr s LYS 87 Ca -0.17 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.44 1syr s LYS 87 Cb -0.17 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1syr s LYS 87 CO 0.07 -0.33 0.00 0.09 -0.36 0.00 0.00 175.35 174.82 1syr n ASN 88 N 4.57 -5.22 0.00 1.43 3.02 -0.93 -3.03 115.26 115.10 1syr n ASN 88 Ca -0.18 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1syr n ASN 88 Cb 0.47 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 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 -0.99 0.77 3.25 7.41 0.00 -1.23 -4.98 105.19 109.42 1syr n GLY 89 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.32 2.54 -0.00 1.61 0.01 -1.17 -4.93 113.70 109.44 1syr s SER 90 Ca 0.00 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1syr s SER 90 Cb 0.00 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1syr s SER 90 CO 0.00 0.20 1.90 -0.55 0.41 0.00 0.00 173.24 175.19 1syr s SER 91 N -0.99 6.45 -0.10 2.44 0.15 -1.26 -1.68 113.70 118.71 1syr s SER 91 Ca 0.08 2.51 -0.03 0.00 0.70 0.00 0.00 55.95 59.21 1syr s SER 91 Cb -0.09 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1syr s SER 91 CO 0.01 -1.07 -0.11 0.52 1.20 0.00 0.00 173.24 173.79 1syr n VAL 92 N 5.66 0.55 -4.08 4.45 0.31 -0.18 -4.95 118.33 120.08 1syr n VAL 92 Ca 0.20 -0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1syr n VAL 92 Cb 0.42 -1.37 -0.11 0.00 -0.91 0.00 0.00 33.84 31.86 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 -5.57 0.95 -0.11 4.52 -1.08 -1.22 -5.02 116.67 109.13 1syr s ASP 93 Ca -0.14 -0.59 -0.05 0.00 -0.52 0.00 0.00 52.55 51.25 1syr s ASP 93 Cb 0.05 0.03 0.05 0.00 -1.46 0.00 0.00 42.92 41.59 1syr s ASP 93 CO 0.19 -0.21 0.25 0.28 0.52 0.00 0.00 175.17 176.20 1syr s THR 94 N -1.54 -0.13 -0.09 1.71 -1.32 -1.26 -1.23 115.64 111.78 1syr s THR 94 Ca -0.08 0.18 0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1syr s THR 94 Cb -0.09 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1syr s THR 94 CO 0.00 0.08 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.09 1syr s LEU 95 N 1.56 2.48 -0.13 9.08 2.96 0.77 -4.99 118.68 130.41 1syr s LEU 95 Ca -0.07 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1syr s LEU 95 Cb -0.11 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1syr s LEU 95 CO -0.08 0.23 0.02 -0.76 -1.32 0.00 0.00 176.35 174.44 1syr s LEU 96 N -0.08 3.62 0.00 -0.68 1.43 -1.26 -1.13 118.68 120.58 1syr s LEU 96 Ca -0.04 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1syr s LEU 96 Cb -0.14 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1syr s LEU 96 CO 0.04 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1syr n GLY 97 N 2.76 0.81 2.80 -3.19 0.00 -0.37 -4.87 105.19 103.13 1syr n GLY 97 Ca -0.18 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 1.31 4.44 -3.11 4.61 0.00 -1.26 -4.63 120.51 121.87 1syr n ALA 98 Ca 0.00 -4.75 -0.32 0.00 0.00 0.00 0.00 53.44 48.37 1syr n ALA 98 Cb 0.00 -1.63 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.69 3.61 0.08 0.00 3.84 -1.26 -4.93 114.94 114.58 1syr s ASN 99 Ca 0.34 -0.42 -0.32 0.00 0.21 0.00 0.00 52.86 52.67 1syr s ASN 99 Cb 0.06 -1.48 -0.17 0.00 -0.55 0.00 0.00 41.25 39.11 1syr s ASN 99 CO 0.01 0.17 1.63 0.44 -2.79 0.00 0.00 177.10 176.56 1syr h ASP 100 N 6.65 -0.76 -0.30 -4.21 5.19 -1.99 -0.95 116.42 120.05 1syr h ASP 100 Ca -0.24 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1syr h ASP 100 Cb 1.22 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 1syr h ASP 100 CO 0.52 -0.49 0.10 0.77 -3.12 0.00 0.00 179.24 177.01 1syr h SER 101 N -0.79 0.49 -0.25 6.45 4.64 -1.99 0.06 113.55 122.18 1syr h SER 101 Ca -0.06 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1syr h SER 101 Cb 0.63 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1syr h SER 101 CO 0.08 0.50 0.04 0.00 -0.87 0.00 0.00 176.83 176.57 1syr h ALA 102 N 1.58 0.33 -0.29 5.18 0.00 -1.94 -1.51 119.26 122.60 1syr h ALA 102 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1syr h ALA 102 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1syr h ALA 102 CO -0.00 0.01 -0.20 1.25 0.00 0.00 0.00 179.25 180.30 1syr h LEU 103 N 0.21 0.54 -0.44 0.00 5.85 -0.65 -1.97 115.31 118.85 1syr h LEU 103 Ca 0.07 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1syr h LEU 103 Cb 0.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1syr h LEU 103 CO 0.00 0.75 0.26 0.50 -0.34 0.00 0.00 178.44 179.61 1syr h LYS 104 N 0.49 0.60 -0.78 1.25 3.64 -0.88 -2.18 116.57 118.71 1syr h LYS 104 Ca 0.08 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1syr h LYS 104 Cb 0.62 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1syr h LYS 104 CO 0.04 0.46 0.30 1.96 -2.27 0.00 0.00 179.45 179.95 1syr h GLN 105 N 0.58 1.17 -0.08 1.90 4.20 -0.86 -1.26 115.11 120.77 1syr h GLN 105 Ca 0.16 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1syr h GLN 105 Cb 0.02 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1syr h GLN 105 CO -0.03 0.96 0.04 1.25 -0.67 0.00 0.00 178.83 180.38 1syr h LEU 106 N 1.14 0.10 -0.33 1.46 5.85 -1.26 -2.47 115.31 119.80 1syr h LEU 106 Ca 0.26 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1syr h LEU 106 Cb 0.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1syr h LEU 106 CO -0.02 0.16 0.16 0.40 -0.34 0.00 0.00 178.44 178.80 1syr h ILE 107 N 0.03 1.16 -0.17 4.05 2.04 -1.08 -2.59 117.51 120.95 1syr h ILE 107 Ca 0.03 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1syr h ILE 107 Cb 0.08 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1syr h ILE 107 CO -0.00 0.16 -0.01 -0.33 0.00 0.00 0.00 178.15 177.97 1syr h GLU 108 N 0.39 0.24 -0.29 2.37 5.08 -1.26 -0.54 114.58 120.58 1syr h GLU 108 Ca 0.11 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1syr h GLU 108 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1syr h GLU 108 CO -0.01 0.28 0.43 -0.22 -1.00 0.00 0.00 179.01 178.48 1syr h LYS 109 N 0.24 0.00 0.00 2.33 3.64 -1.02 -2.89 116.57 118.88 1syr h LYS 109 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1syr h LYS 109 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1syr h LYS 109 CO 0.00 0.00 -0.11 0.66 -2.27 0.00 0.00 179.45 177.74 1syr n TYR 110 N -3.45 0.00 -1.18 1.91 4.01 -0.43 -5.12 117.16 112.89 1syr n TYR 110 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1syr n TYR 110 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40