#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 4.05 -0.25 1.45 2.47 -1.25 -4.84 119.74 121.38 1syr s LYS 11 Ca 0.00 2.18 -0.00 0.00 -1.56 0.00 0.00 55.97 56.59 1syr s LYS 11 Cb 0.00 -2.83 0.07 0.00 -1.46 0.00 0.00 37.83 33.61 1syr s LYS 11 CO 0.00 -0.43 0.01 -1.50 0.16 0.00 0.00 175.35 173.59 1syr s ILE 12 N -1.23 1.22 -0.13 5.43 2.07 -1.26 -0.53 121.20 126.76 1syr s ILE 12 Ca 0.55 -1.19 -0.22 0.00 -1.41 0.00 0.00 60.65 58.38 1syr s ILE 12 Cb -0.39 -1.66 -0.03 0.00 0.13 0.00 0.00 42.46 40.52 1syr s ILE 12 CO 0.50 -0.28 0.68 -0.69 -1.91 0.00 0.00 174.94 173.24 1syr s VAL 13 N 1.51 5.03 -1.96 4.00 1.01 0.42 -4.96 120.40 125.45 1syr s VAL 13 Ca -0.00 1.34 0.17 0.00 0.00 0.00 0.00 61.98 63.49 1syr s VAL 13 Cb -0.18 -4.00 0.25 0.00 0.00 0.00 0.00 36.38 32.44 1syr s VAL 13 CO -0.10 0.17 1.16 0.35 0.00 0.00 0.00 175.10 176.68 1syr n THR 14 N 4.24 0.31 -3.52 3.92 -2.24 -1.26 -4.54 114.28 111.18 1syr n THR 14 Ca -0.01 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 1syr n THR 14 Cb 0.50 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.31 -0.46 0.12 3.42 1.04 -1.26 -4.88 113.70 110.36 1syr s SER 15 Ca 0.25 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.52 1syr s SER 15 Cb 0.16 0.53 -0.07 0.00 0.10 0.00 0.00 66.02 66.74 1syr s SER 15 CO 0.23 -0.84 1.76 -0.61 0.98 0.00 0.00 173.24 174.76 1syr h GLN 16 N 2.40 0.17 -0.08 4.02 5.75 -1.94 -0.96 115.11 124.48 1syr h GLN 16 Ca -0.32 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.20 1syr h GLN 16 Cb 1.26 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.71 1syr h GLN 16 CO 0.41 0.11 -0.39 0.00 -2.65 0.00 0.00 178.83 176.32 1syr h ALA 17 N 1.09 -0.55 -0.67 3.38 0.00 -1.99 0.12 119.26 120.63 1syr h ALA 17 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1syr h ALA 17 Cb 0.01 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1syr h ALA 17 CO -0.05 -0.90 0.40 1.49 0.00 0.00 0.00 179.25 180.20 1syr h GLU 18 N -0.50 0.74 -0.11 0.00 4.81 -1.93 -0.41 114.58 117.18 1syr h GLU 18 Ca 0.07 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1syr h GLU 18 Cb 0.61 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1syr h GLU 18 CO -0.35 0.49 -0.07 0.35 -0.73 0.00 0.00 179.01 178.70 1syr h PHE 19 N 0.76 -0.16 -0.96 0.92 3.57 -0.62 -1.86 116.94 118.59 1syr h PHE 19 Ca 0.28 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1syr h PHE 19 Cb 0.09 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1syr h PHE 19 CO -0.06 -0.11 0.60 -0.44 -2.23 0.00 0.00 178.31 176.07 1syr h ASP 20 N -0.07 1.14 0.41 0.41 3.32 -0.10 -2.69 116.42 118.84 1syr h ASP 20 Ca 0.07 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1syr h ASP 20 Cb 0.17 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1syr h ASP 20 CO -0.15 0.86 -0.20 0.28 -1.72 0.00 0.00 179.24 178.32 1syr h SER 21 N 1.32 -0.46 -0.04 6.45 0.02 -0.83 -2.66 113.55 117.34 1syr h SER 21 Ca 0.35 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1syr h SER 21 Cb -0.08 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1syr h SER 21 CO -0.07 -0.21 -0.13 0.40 -1.14 0.00 0.00 176.83 175.68 1syr h ILE 22 N -0.71 0.66 -0.57 3.27 2.04 -1.30 0.24 117.51 121.14 1syr h ILE 22 Ca -0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.94 1syr h ILE 22 Cb 0.51 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1syr h ILE 22 CO 0.09 0.00 0.39 0.40 0.00 0.00 0.00 178.15 179.04 1syr h ILE 23 N -0.20 0.79 0.12 -0.67 5.03 -1.53 -2.73 117.51 118.32 1syr h ILE 23 Ca 0.06 -0.06 -0.36 0.00 -0.12 0.00 0.00 64.86 64.39 1syr h ILE 23 Cb 0.29 0.61 -0.02 0.00 -3.03 0.00 0.00 36.82 34.67 1syr h ILE 23 CO -0.16 0.03 -1.96 -1.20 -0.68 0.00 0.00 178.15 174.18 1syr n SER 24 N -4.43 2.02 0.00 1.72 7.64 -0.70 -3.41 113.62 116.47 1syr n SER 24 Ca 0.10 0.24 0.14 0.00 1.01 0.00 0.00 58.87 60.36 1syr n SER 24 Cb 0.52 -0.80 0.78 0.00 -1.01 0.00 0.00 64.21 63.70 1syr n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1syr n GLN 25 N -3.45 0.67 -4.03 1.43 6.02 0.76 -4.75 117.38 114.03 1syr n GLN 25 Ca -0.30 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.51 1syr n GLN 25 Cb 1.05 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.65 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 -2.26 0.84 0.24 1.08 0.01 -1.04 -5.05 114.94 108.75 1syr s ASN 26 Ca 0.35 -0.09 -0.05 0.00 -0.71 0.00 0.00 52.86 52.37 1syr s ASN 26 Cb 0.19 -0.37 0.25 0.00 0.41 0.00 0.00 41.25 41.74 1syr s ASN 26 CO 0.37 -0.09 1.75 1.05 -1.51 0.00 0.00 177.10 178.67 1syr h GLU 27 N 7.35 0.95 -4.51 -0.60 4.11 -1.86 -3.42 114.58 116.62 1syr h GLU 27 Ca -0.37 -0.23 -0.63 0.00 0.07 0.00 0.00 59.36 58.20 1syr h GLU 27 Cb 1.14 -0.12 -0.38 0.00 0.50 0.00 0.00 28.75 29.89 1syr h GLU 27 CO 0.44 0.88 -0.79 -0.51 0.07 0.00 0.00 179.01 179.11 1syr s LEU 28 N -9.36 2.91 -0.09 3.06 1.43 -1.26 -1.52 118.68 113.85 1syr s LEU 28 Ca -0.11 -1.29 0.02 0.00 -1.03 0.00 0.00 54.13 51.72 1syr s LEU 28 Cb 0.15 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1syr s LEU 28 CO 0.83 -0.23 -0.13 -0.69 0.23 0.00 0.00 176.35 176.35 1syr s VAL 29 N 1.29 1.29 -0.13 -1.59 1.01 -0.61 -1.63 120.40 120.03 1syr s VAL 29 Ca -0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1syr s VAL 29 Cb -0.19 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1syr s VAL 29 CO -0.06 0.40 0.10 -0.51 0.00 0.00 0.00 175.10 175.03 1syr s ILE 30 N 0.92 5.16 -0.08 2.22 2.07 -0.98 0.86 121.20 131.38 1syr s ILE 30 Ca -0.09 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1syr s ILE 30 Cb -0.15 -3.26 0.01 0.00 0.13 0.00 0.00 42.46 39.19 1syr s ILE 30 CO 0.00 0.57 -0.15 0.54 -1.91 0.00 0.00 174.94 173.99 1syr s VAL 31 N -0.63 1.38 -0.40 4.00 0.11 0.81 -1.76 120.40 123.91 1syr s VAL 31 Ca 0.12 -0.62 -0.15 0.00 -2.93 0.00 0.00 61.98 58.40 1syr s VAL 31 Cb -0.12 -1.24 0.02 0.00 -1.53 0.00 0.00 36.38 33.51 1syr s VAL 31 CO 0.02 0.41 0.33 -0.62 -3.33 0.00 0.00 175.10 171.91 1syr s ASP 32 N 0.60 6.13 -0.48 3.54 2.15 -0.29 -1.48 116.67 126.83 1syr s ASP 32 Ca -0.15 -0.78 -0.25 0.00 0.43 0.00 0.00 52.55 51.80 1syr s ASP 32 Cb -0.16 -2.17 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1syr s ASP 32 CO 0.05 -0.46 0.91 -0.36 -0.17 0.00 0.00 175.17 175.14 1syr s PHE 33 N 1.81 2.90 0.41 -5.34 0.40 0.21 -1.17 117.98 117.20 1syr s PHE 33 Ca 0.07 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.70 1syr s PHE 33 Cb -0.18 -3.96 -0.04 0.00 0.51 0.00 0.00 43.02 39.35 1syr s PHE 33 CO 0.11 -1.15 0.06 -0.59 0.70 0.00 0.00 175.22 174.35 1syr s PHE 34 N 3.75 1.96 -0.25 0.36 -0.71 0.03 -3.03 117.98 120.09 1syr s PHE 34 Ca 0.35 -1.02 -0.23 0.00 -1.04 0.00 0.00 56.93 54.98 1syr s PHE 34 Cb -0.11 -1.39 0.07 0.00 -1.21 0.00 0.00 43.02 40.38 1syr s PHE 34 CO 0.24 0.02 0.68 0.00 -1.34 0.00 0.00 175.22 174.82 1syr s ALA 35 N -3.09 -1.68 0.18 1.99 0.00 -1.26 -0.70 121.76 117.20 1syr s ALA 35 Ca 0.25 1.93 0.34 0.00 0.00 0.00 0.00 51.96 54.48 1syr s ALA 35 Cb 0.05 -1.12 1.68 0.00 0.00 0.00 0.00 23.12 23.73 1syr s ALA 35 CO 0.13 -0.32 2.04 0.93 0.00 0.00 0.00 175.76 178.53 1syr h GLU 36 N 5.14 0.00 -0.06 0.00 4.39 -2.00 -0.21 114.58 121.85 1syr h GLU 36 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 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 0.08 0.00 0.00 -2.67 -1.16 0.00 0.00 179.01 175.26 1syr n TRP 37 N -2.83 0.06 -3.85 4.33 4.27 -1.26 -4.78 117.44 113.40 1syr n TRP 37 Ca -0.01 -0.03 -0.36 0.00 -3.89 0.00 0.00 57.50 53.21 1syr n TRP 37 Cb 0.16 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.98 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 8.12 0.36 0.88 0.00 0.00 -1.86 -2.86 103.07 107.71 1syr h GLY 39 Ca -0.28 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 46.92 1syr h GLY 39 CO 0.58 0.18 0.58 -2.55 0.00 0.00 0.00 176.54 175.34 1syr h PRO 40 N 0.21 0.99 -0.42 4.80 0.11 -1.95 -1.71 132.00 134.04 1syr h PRO 40 Ca 0.07 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1syr h PRO 40 Cb 0.18 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 1syr h PRO 40 CO -0.01 0.65 0.17 0.00 -0.21 0.00 0.00 178.00 178.61 1syr h LYS 42 N 0.36 0.50 -0.23 0.00 1.57 -1.12 -2.81 116.57 114.84 1syr h LYS 42 Ca 0.19 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1syr h LYS 42 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1syr h LYS 42 CO -0.17 0.64 0.14 0.00 -0.57 0.00 0.00 179.45 179.50 1syr h ARG 43 N 0.46 0.28 -0.00 3.15 3.08 -1.01 -3.13 114.38 117.21 1syr h ARG 43 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1syr h ARG 43 Cb 0.54 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1syr h ARG 43 CO 0.03 0.19 -0.15 1.51 -1.07 0.00 0.00 179.97 180.48 1syr n ILE 44 N -4.95 0.00 -0.03 2.04 3.06 -0.96 -4.22 119.36 114.30 1syr n ILE 44 Ca -0.03 -0.01 -0.09 0.00 -2.50 0.00 0.00 62.75 60.13 1syr n ILE 44 Cb 0.03 -0.24 -0.02 0.00 0.54 0.00 0.00 39.64 39.95 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 3.11 -0.16 -0.52 1.51 0.00 -1.44 -1.77 119.26 119.98 1syr h ALA 45 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1syr h ALA 45 Cb 0.47 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1syr h ALA 45 CO 0.00 -0.68 0.35 -1.35 0.00 0.00 0.00 179.25 177.57 1syr h PRO 46 N -0.27 0.61 -0.24 0.00 0.11 -1.79 -0.09 132.00 130.33 1syr h PRO 46 Ca 0.12 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1syr h PRO 46 Cb 0.45 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1syr h PRO 46 CO -0.35 0.40 -0.22 0.35 -0.21 0.00 0.00 178.00 177.97 1syr h PHE 47 N 0.62 0.68 -0.29 0.65 3.57 -1.70 -1.70 116.94 118.77 1syr h PHE 47 Ca 0.21 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1syr h PHE 47 Cb 0.05 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1syr h PHE 47 CO -0.00 0.89 0.17 -0.92 -2.23 0.00 0.00 178.31 176.22 1syr h TYR 48 N 0.27 0.32 -0.95 0.41 3.20 -0.96 -0.47 116.97 118.78 1syr h TYR 48 Ca 0.04 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.02 1syr h TYR 48 Cb 0.77 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1syr h TYR 48 CO 0.08 0.19 0.59 1.49 -1.64 0.00 0.00 178.16 178.87 1syr h GLU 49 N 0.35 0.96 -0.35 1.82 4.81 -0.98 -2.12 114.58 119.08 1syr h GLU 49 Ca 0.11 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1syr h GLU 49 Cb -0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1syr h GLU 49 CO -0.05 0.64 -0.36 1.49 -0.73 0.00 0.00 179.01 180.00 1syr h GLU 50 N 0.99 0.85 -0.69 1.92 4.57 -0.72 -3.08 114.58 118.42 1syr h GLU 50 Ca 0.45 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1syr h GLU 50 Cb 0.36 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1syr h GLU 50 CO -0.23 1.10 0.34 0.00 -1.18 0.00 0.00 179.01 179.03 1syr h SER 52 N 0.96 0.06 0.49 0.00 4.64 -1.30 0.42 113.55 118.83 1syr h SER 52 Ca 0.24 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.37 1syr h SER 52 Cb 0.11 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1syr h SER 52 CO -0.03 0.02 -0.83 0.11 -0.87 0.00 0.00 176.83 175.24 1syr h LYS 53 N 0.06 0.25 0.00 4.77 1.57 -1.49 -3.39 116.57 118.34 1syr h LYS 53 Ca 0.39 -0.25 -0.38 0.00 -1.87 0.00 0.00 60.65 58.55 1syr h LYS 53 Cb 1.46 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.77 1syr h LYS 53 CO -0.03 0.94 -2.42 0.25 -0.57 0.00 0.00 179.45 177.62 1syr n THR 54 N -3.72 1.43 -2.19 -0.16 -2.24 -0.48 -4.60 114.28 102.33 1syr n THR 54 Ca -0.04 -0.61 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 1syr n THR 54 Cb 0.77 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 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 -3.14 3.59 0.23 4.78 4.02 0.02 -4.76 117.16 121.89 1syr n TYR 55 Ca -0.42 -2.93 0.12 0.00 -0.01 0.00 0.00 57.90 54.66 1syr n TYR 55 Cb 1.01 -2.30 0.41 0.00 -0.02 0.00 0.00 39.34 38.44 1syr n TYR 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1syr h THR 56 N 4.15 0.25 0.00 -0.72 1.03 -1.81 -2.88 112.91 112.93 1syr h THR 56 Ca 0.46 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1syr h THR 56 Cb 0.69 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1syr h THR 56 CO 1.67 0.12 0.01 0.29 -0.01 0.00 0.00 175.52 177.60 1syr n LYS 57 N -3.19 0.11 -4.51 0.00 5.02 -1.26 -4.62 118.16 109.71 1syr n LYS 57 Ca 0.02 0.61 -0.23 0.00 -2.02 0.00 0.00 58.31 56.68 1syr n LYS 57 Cb 0.45 -1.89 -0.16 0.00 -0.02 0.00 0.00 35.03 33.41 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 -3.44 1.42 -0.08 1.97 0.00 -1.09 -4.68 119.30 113.40 1syr s MET 58 Ca -0.02 -0.36 -0.27 0.00 0.00 0.00 0.00 55.69 55.04 1syr s MET 58 Cb 0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 34.83 33.63 1syr s MET 58 CO 0.16 0.05 0.89 0.14 0.00 0.00 0.00 175.02 176.25 1syr s VAL 59 N 0.55 4.89 -0.14 10.11 -7.23 -0.64 -4.94 120.40 122.99 1syr s VAL 59 Ca -0.11 1.81 -0.14 0.00 -1.81 0.00 0.00 61.98 61.73 1syr s VAL 59 Cb -0.14 -4.21 -0.05 0.00 0.56 0.00 0.00 36.38 32.55 1syr s VAL 59 CO 0.02 0.11 0.31 -0.36 -0.31 0.00 0.00 175.10 174.87 1syr s PHE 60 N 1.48 3.50 0.14 2.82 0.40 -1.26 -2.32 117.98 122.74 1syr s PHE 60 Ca 0.44 0.66 0.03 0.00 -0.60 0.00 0.00 56.93 57.46 1syr s PHE 60 Cb -0.18 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1syr s PHE 60 CO 0.19 0.31 -0.06 0.96 0.70 0.00 0.00 175.22 177.32 1syr s ILE 61 N 0.22 0.90 0.03 0.64 -4.36 -0.72 -3.74 121.20 114.17 1syr s ILE 61 Ca 0.18 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.64 1syr s ILE 61 Cb -0.13 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 1syr s ILE 61 CO 0.05 -0.73 -0.22 -0.54 0.24 0.00 0.00 174.94 173.75 1syr s LYS 62 N -3.82 1.54 -0.13 0.37 1.02 0.31 -1.14 119.74 117.89 1syr s LYS 62 Ca 0.17 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.26 1syr s LYS 62 Cb 0.04 -1.62 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1syr s LYS 62 CO -0.00 0.42 -0.19 0.08 -0.92 0.00 0.00 175.35 174.74 1syr s VAL 63 N -0.72 1.84 -0.25 3.17 1.01 -0.32 -0.43 120.40 124.70 1syr s VAL 63 Ca 0.08 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1syr s VAL 63 Cb -0.09 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1syr s VAL 63 CO 0.01 0.51 0.98 -0.62 0.00 0.00 0.00 175.10 175.98 1syr s ASP 64 N 0.94 6.98 0.46 3.32 -1.08 -1.26 -0.79 116.67 125.24 1syr s ASP 64 Ca -0.05 1.19 0.13 0.00 -0.52 0.00 0.00 52.55 53.30 1syr s ASP 64 Cb -0.15 -2.51 1.08 0.00 -1.46 0.00 0.00 42.92 39.88 1syr s ASP 64 CO -0.03 -0.67 2.06 -0.37 0.52 0.00 0.00 175.17 176.69 1syr h VAL 65 N 5.51 0.99 0.17 1.11 -1.51 -1.26 -1.87 116.25 119.39 1syr h VAL 65 Ca -0.21 -0.10 -0.31 0.00 -1.23 0.00 0.00 66.70 64.85 1syr h VAL 65 Cb 1.07 0.67 0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1syr h VAL 65 CO 0.96 0.05 -1.53 0.44 -1.23 0.00 0.00 177.57 176.26 1syr h ASP 66 N 0.29 0.56 -0.73 4.19 3.32 -1.92 -3.01 116.42 119.13 1syr h ASP 66 Ca 0.14 -0.91 0.15 0.00 0.02 0.00 0.00 57.03 56.43 1syr h ASP 66 Cb 0.21 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1syr h ASP 66 CO -0.03 1.69 0.49 -0.08 -1.72 0.00 0.00 179.24 179.60 1syr h GLU 67 N -0.06 0.37 -1.89 3.56 4.81 -1.77 -2.83 114.58 116.77 1syr h GLU 67 Ca -0.30 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.38 1syr h GLU 67 Cb 1.96 -0.08 -0.41 0.00 0.63 0.00 0.00 28.75 30.85 1syr h GLU 67 CO 0.15 0.24 -0.92 0.28 -0.73 0.00 0.00 179.01 178.03 1syr n VAL 68 N -4.47 1.60 -0.06 0.32 0.31 -0.77 -4.92 118.33 110.35 1syr n VAL 68 Ca 0.14 -4.80 0.17 0.00 -0.01 0.00 0.00 64.34 59.84 1syr n VAL 68 Cb 0.53 -0.71 0.59 0.00 -0.91 0.00 0.00 33.84 33.35 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 2.93 0.19 -1.00 4.52 4.64 -1.35 0.10 113.55 123.59 1syr h SER 69 Ca 0.11 0.01 0.17 0.00 -0.47 0.00 0.00 61.79 61.61 1syr h SER 69 Cb 0.82 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.78 1syr h SER 69 CO 0.67 0.11 0.62 -0.33 -0.87 0.00 0.00 176.83 177.03 1syr h GLU 70 N 0.21 0.81 0.05 4.77 3.07 -1.89 -0.93 114.58 120.67 1syr h GLU 70 Ca 0.29 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.90 1syr h GLU 70 Cb 0.84 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.58 1syr h GLU 70 CO -0.05 0.54 -0.80 0.28 -1.40 0.00 0.00 179.01 177.57 1syr h VAL 71 N 0.83 1.40 -0.01 3.13 2.07 -1.17 -3.16 116.25 119.35 1syr h VAL 71 Ca 0.55 -2.25 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 1syr h VAL 71 Cb 0.76 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1syr h VAL 71 CO -0.33 0.66 -0.38 0.71 0.02 0.00 0.00 177.57 178.25 1syr h THR 72 N -0.03 1.28 -0.24 2.57 1.35 -1.13 0.24 112.91 116.95 1syr h THR 72 Ca -0.11 -1.33 -0.16 0.00 -0.55 0.00 0.00 66.41 64.26 1syr h THR 72 Cb 1.52 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.65 1syr h THR 72 CO 0.16 0.38 -0.50 -0.33 -0.25 0.00 0.00 175.52 174.97 1syr h GLU 73 N 0.01 0.67 -0.01 4.72 4.39 -1.30 -2.03 114.58 121.04 1syr h GLU 73 Ca -0.00 -0.40 -0.23 0.00 0.34 0.00 0.00 59.36 59.07 1syr h GLU 73 Cb 0.69 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1syr h GLU 73 CO 0.05 1.02 -0.93 0.87 -1.16 0.00 0.00 179.01 178.86 1syr h LYS 74 N 0.53 0.43 0.00 2.33 1.57 -1.40 -3.12 116.57 116.91 1syr h LYS 74 Ca 0.02 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1syr h LYS 74 Cb 1.06 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1syr h LYS 74 CO 0.10 1.11 0.00 0.39 -0.57 0.00 0.00 179.45 180.48 1syr n GLU 75 N -3.76 0.21 -3.24 3.15 -0.58 0.81 -4.96 120.64 112.28 1syr n GLU 75 Ca -0.07 0.05 -0.06 0.00 -0.42 0.00 0.00 57.16 56.66 1syr n GLU 75 Cb 0.83 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 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 -1.38 -7.08 -4.43 1.62 5.15 -0.79 -4.97 115.26 103.39 1syr n ASN 76 Ca 0.10 -0.29 -0.42 0.00 -0.60 0.00 0.00 54.58 53.36 1syr n ASN 76 Cb 0.24 -4.43 -0.10 0.00 -0.53 0.00 0.00 39.78 34.96 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 -3.00 5.02 -0.02 -1.44 -1.09 -1.05 -4.99 121.20 114.63 1syr s ILE 77 Ca 0.00 -0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1syr s ILE 77 Cb -0.00 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1syr s ILE 77 CO 0.79 -0.30 -0.02 0.71 -1.23 0.00 0.00 174.94 174.88 1syr h THR 78 N 5.72 0.00 -2.37 2.92 1.35 -1.93 -3.49 112.91 115.11 1syr h THR 78 Ca -0.26 -0.14 -0.52 0.00 -0.55 0.00 0.00 66.41 64.94 1syr h THR 78 Cb 1.11 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.49 1syr h THR 78 CO 0.72 0.00 -0.51 -0.94 -0.25 0.00 0.00 175.52 174.54 1syr s SER 79 N -3.71 5.79 -0.10 5.36 1.04 -1.26 -5.11 113.70 115.70 1syr s SER 79 Ca -0.02 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1syr s SER 79 Cb 0.00 -1.57 -0.00 0.00 0.10 0.00 0.00 66.02 64.55 1syr s SER 79 CO 0.02 -0.01 -0.22 -0.32 0.98 0.00 0.00 173.24 173.70 1syr s MET 80 N -3.60 3.07 0.61 4.02 1.75 -1.26 -3.55 119.30 120.33 1syr s MET 80 Ca 0.33 -0.84 -0.06 0.00 -1.25 0.00 0.00 55.69 53.87 1syr s MET 80 Cb -0.09 -2.35 0.02 0.00 2.84 0.00 0.00 34.83 35.24 1syr s MET 80 CO 0.26 0.21 0.91 -1.25 -0.65 0.00 0.00 175.02 174.50 1syr s PRO 81 N 0.29 2.80 -0.05 4.11 0.04 -1.26 -4.75 135.00 136.18 1syr s PRO 81 Ca -0.16 -0.06 0.06 0.00 0.04 0.00 0.00 61.00 60.88 1syr s PRO 81 Cb -0.17 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1syr s PRO 81 CO 0.08 -0.78 -0.25 0.99 0.04 0.00 0.00 177.00 177.08 1syr s THR 82 N -3.02 2.02 -0.17 1.26 2.01 -1.17 -1.31 115.64 115.26 1syr s THR 82 Ca 0.55 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1syr s THR 82 Cb -0.11 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1syr s THR 82 CO 0.45 0.56 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.49 1syr s PHE 83 N -0.20 2.89 0.03 4.92 0.40 -0.54 -0.62 117.98 124.87 1syr s PHE 83 Ca -0.02 -0.77 0.07 0.00 -0.60 0.00 0.00 56.93 55.60 1syr s PHE 83 Cb -0.13 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1syr s PHE 83 CO 0.03 -0.36 -0.20 0.15 0.70 0.00 0.00 175.22 175.55 1syr s LYS 84 N 0.85 2.05 -0.06 0.44 -0.14 -0.55 -0.53 119.74 121.80 1syr s LYS 84 Ca -0.03 -0.98 0.02 0.00 -1.36 0.00 0.00 55.97 53.62 1syr s LYS 84 Cb -0.15 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1syr s LYS 84 CO 0.01 0.54 -0.11 0.14 -0.76 0.00 0.00 175.35 175.17 1syr s VAL 85 N -0.88 3.33 -0.10 3.17 -7.23 -0.64 -0.14 120.40 117.92 1syr s VAL 85 Ca 0.14 -0.62 0.04 0.00 -1.81 0.00 0.00 61.98 59.72 1syr s VAL 85 Cb -0.10 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1syr s VAL 85 CO 0.04 0.59 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.90 1syr s TYR 86 N -0.76 2.59 -0.26 2.82 1.51 0.25 -0.75 117.35 122.76 1syr s TYR 86 Ca 0.12 -0.87 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 1syr s TYR 86 Cb -0.11 -1.71 0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1syr s TYR 86 CO 0.01 -0.31 -0.11 0.21 -1.11 0.00 0.00 175.55 174.23 1syr s LYS 87 N 0.20 2.27 -1.50 -0.62 2.20 0.18 -1.58 119.74 120.89 1syr s LYS 87 Ca -0.13 -1.33 -0.06 0.00 -0.36 0.00 0.00 55.97 54.09 1syr s LYS 87 Cb -0.16 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 1syr s LYS 87 CO 0.07 -0.56 0.78 0.09 -0.36 0.00 0.00 175.35 175.37 1syr n ASN 88 N 4.44 -6.12 0.00 1.43 3.02 -0.58 -2.68 115.26 114.77 1syr n ASN 88 Ca -0.14 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1syr n ASN 88 Cb 0.42 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 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 0.72 3.56 7.41 0.00 -1.22 -5.00 105.19 109.00 1syr n GLY 89 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.70 4.69 -0.02 1.61 0.01 -1.09 -4.93 113.70 111.27 1syr s SER 90 Ca 0.00 -0.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.92 1syr s SER 90 Cb 0.00 -1.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.85 1syr s SER 90 CO 0.00 0.32 1.34 -0.55 0.41 0.00 0.00 173.24 174.76 1syr s SER 91 N -0.53 6.91 -0.06 2.44 0.15 -1.26 -0.64 113.70 120.70 1syr s SER 91 Ca 0.08 2.02 0.03 0.00 0.70 0.00 0.00 55.95 58.77 1syr s SER 91 Cb -0.12 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 1syr s SER 91 CO 0.02 -0.69 -0.02 1.33 1.20 0.00 0.00 173.24 175.08 1syr n VAL 92 N 4.69 0.38 -3.95 4.45 0.24 0.07 -4.94 118.33 119.27 1syr n VAL 92 Ca 0.13 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 1syr n VAL 92 Cb 0.44 -0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 31.92 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 -4.17 0.20 -0.14 -1.34 -1.08 -1.23 -5.02 116.67 103.88 1syr s ASP 93 Ca -0.06 -0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 51.38 1syr s ASP 93 Cb 0.02 0.20 0.07 0.00 -1.46 0.00 0.00 42.92 41.75 1syr s ASP 93 CO 0.19 -0.47 0.26 0.28 0.52 0.00 0.00 175.17 175.95 1syr s THR 94 N -2.43 -0.41 -0.18 1.71 -1.32 -1.26 -1.63 115.64 110.13 1syr s THR 94 Ca -0.07 0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 60.59 1syr s THR 94 Cb -0.02 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1syr s THR 94 CO -0.04 0.08 0.02 -0.22 -2.21 0.00 0.00 174.62 172.26 1syr s LEU 95 N 2.41 3.56 -0.16 9.08 2.96 0.31 -4.96 118.68 131.88 1syr s LEU 95 Ca 0.02 -0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.78 1syr s LEU 95 Cb -0.12 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1syr s LEU 95 CO -0.09 0.15 0.26 -0.76 -1.32 0.00 0.00 176.35 174.60 1syr s LEU 96 N 0.47 4.25 0.00 -0.68 1.43 -1.26 -1.47 118.68 121.42 1syr s LEU 96 Ca 0.01 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1syr s LEU 96 Cb -0.13 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1syr s LEU 96 CO 0.02 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1syr n GLY 97 N 3.34 0.27 3.13 -3.19 0.00 -0.42 -4.86 105.19 103.46 1syr n GLY 97 Ca -0.13 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 0.57 3.96 -3.48 4.61 0.00 -1.26 -4.73 120.51 120.18 1syr n ALA 98 Ca 0.00 -4.63 -0.32 0.00 0.00 0.00 0.00 53.44 48.49 1syr n ALA 98 Cb 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 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 -0.00 3.11 0.09 0.00 3.84 -1.26 -4.94 114.94 115.78 1syr s ASN 99 Ca 0.29 -0.58 -0.24 0.00 0.21 0.00 0.00 52.86 52.54 1syr s ASN 99 Cb -0.06 -1.43 -0.14 0.00 -0.55 0.00 0.00 41.25 39.07 1syr s ASN 99 CO -0.11 0.11 1.72 0.44 -2.79 0.00 0.00 177.10 176.48 1syr h ASP 100 N 7.07 -0.12 -0.51 -4.21 5.19 -1.98 -1.61 116.42 120.25 1syr h ASP 100 Ca -0.27 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.09 1syr h ASP 100 Cb 1.21 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1syr h ASP 100 CO 0.52 -0.07 0.11 0.28 -3.12 0.00 0.00 179.24 176.96 1syr h SER 101 N -0.10 0.84 -0.25 6.45 0.02 -1.98 0.13 113.55 118.65 1syr h SER 101 Ca 0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1syr h SER 101 Cb 0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1syr h SER 101 CO -0.01 0.83 0.15 0.00 -1.14 0.00 0.00 176.83 176.66 1syr h ALA 102 N 1.27 0.32 -0.57 3.77 0.00 -1.94 -1.10 119.26 121.02 1syr h ALA 102 Ca 0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1syr h ALA 102 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1syr h ALA 102 CO 0.00 -0.17 -0.03 1.25 0.00 0.00 0.00 179.25 180.30 1syr h LEU 103 N 0.31 0.99 -0.97 0.00 5.85 -0.93 -1.76 115.31 118.80 1syr h LEU 103 Ca 0.09 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1syr h LEU 103 Cb 0.03 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1syr h LEU 103 CO -0.02 1.06 0.59 0.50 -0.34 0.00 0.00 178.44 180.23 1syr h LYS 104 N 0.91 1.29 -0.48 1.25 3.64 -0.76 -0.82 116.57 121.61 1syr h LYS 104 Ca 0.16 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1syr h LYS 104 Cb 0.57 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1syr h LYS 104 CO 0.03 0.89 0.25 1.96 -2.27 0.00 0.00 179.45 180.32 1syr h GLN 105 N 1.32 0.49 -0.28 1.90 7.50 -0.63 -0.59 115.11 124.81 1syr h GLN 105 Ca 0.34 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.44 1syr h GLN 105 Cb -0.08 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.33 1syr h GLN 105 CO -0.07 0.32 0.07 1.25 -1.50 0.00 0.00 178.83 178.91 1syr h LEU 106 N 0.50 0.43 -0.22 1.46 5.85 -0.67 -2.04 115.31 120.61 1syr h LEU 106 Ca 0.20 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1syr h LEU 106 Cb 0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1syr h LEU 106 CO -0.13 0.54 0.07 0.40 -0.34 0.00 0.00 178.44 178.98 1syr h ILE 107 N 0.29 1.19 0.00 4.05 2.04 -1.02 -3.01 117.51 121.05 1syr h ILE 107 Ca 0.09 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1syr h ILE 107 Cb 0.28 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1syr h ILE 107 CO 0.00 0.19 -0.13 -0.33 0.00 0.00 0.00 178.15 177.88 1syr h GLU 108 N 0.19 0.00 -0.25 2.37 5.08 -1.07 0.50 114.58 121.40 1syr h GLU 108 Ca 0.07 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1syr h GLU 108 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1syr h GLU 108 CO -0.00 0.13 0.22 -0.22 -1.00 0.00 0.00 179.01 178.14 1syr h LYS 109 N 0.00 0.00 0.00 2.33 3.64 -1.23 -3.25 116.57 118.06 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 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1syr h LYS 109 CO 0.02 0.00 -0.99 0.66 -2.27 0.00 0.00 179.45 176.87 1syr n TYR 110 N -4.08 0.00 -0.63 1.91 4.01 -0.32 -5.12 117.16 112.93 1syr n TYR 110 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1syr n TYR 110 Cb 0.37 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40