#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b27 s LYS 3 N 0.00 0.13 -0.18 -1.58 2.20 -1.26 -4.66 119.74 114.40 1b27 s LYS 3 Ca 0.00 0.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.58 1b27 s LYS 3 Cb 0.00 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 1b27 s LYS 3 CO 0.00 -0.04 0.07 0.00 -0.36 0.00 0.00 175.35 175.02 1b27 s ALA 4 N -0.94 3.45 -0.30 3.13 0.00 -0.56 -5.01 121.76 121.53 1b27 s ALA 4 Ca 0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1b27 s ALA 4 Cb -0.01 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1b27 s ALA 4 CO -0.07 0.21 0.04 0.08 0.00 0.00 0.00 175.76 176.02 1b27 s VAL 5 N 0.26 3.50 -0.47 0.00 1.01 -1.26 -0.87 120.40 122.56 1b27 s VAL 5 Ca 0.04 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 1b27 s VAL 5 Cb -0.12 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1b27 s VAL 5 CO 0.00 -0.01 0.51 -0.63 0.00 0.00 0.00 175.10 174.97 1b27 s ILE 6 N 1.39 5.03 -0.70 2.22 -1.09 -0.14 -5.00 121.20 122.91 1b27 s ILE 6 Ca -0.01 -0.59 -0.26 0.00 -2.23 0.00 0.00 60.65 57.56 1b27 s ILE 6 Cb -0.18 -4.18 0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1b27 s ILE 6 CO 0.00 -0.63 1.19 0.21 -1.23 0.00 0.00 174.94 174.48 1b27 s ASN 7 N 2.41 6.20 0.46 3.58 3.84 -1.26 -1.51 114.94 128.66 1b27 s ASN 7 Ca 0.11 -0.49 0.20 0.00 0.21 0.00 0.00 52.86 52.90 1b27 s ASN 7 Cb -0.20 -2.53 1.13 0.00 -0.55 0.00 0.00 41.25 39.10 1b27 s ASN 7 CO 0.11 -1.69 1.97 1.23 -2.79 0.00 0.00 177.10 175.93 1b27 h GLY 8 N 12.48 0.00 1.29 1.21 0.00 -0.54 -2.61 103.07 114.90 1b27 h GLY 8 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1b27 h GLY 8 CO 1.24 0.00 0.36 -2.09 0.00 0.00 0.00 176.54 176.05 1b27 h GLU 9 N 0.00 0.93 -0.01 4.80 4.81 -1.69 -3.22 114.58 120.20 1b27 h GLU 9 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1b27 h GLU 9 Cb 0.44 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1b27 h GLU 9 CO 0.03 0.69 -0.38 1.04 -0.73 0.00 0.00 179.01 179.65 1b27 n GLN 10 N -4.37 1.00 -1.99 1.92 1.13 -1.00 -4.93 117.38 109.14 1b27 n GLN 10 Ca 0.07 -0.73 -0.42 0.00 -1.94 0.00 0.00 57.00 53.98 1b27 n GLN 10 Cb 0.10 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 1b27 n GLN 10 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b27 s ILE 11 N -2.50 3.54 -0.03 5.09 1.09 -1.12 -4.89 121.20 122.38 1b27 s ILE 11 Ca 0.21 0.66 -0.19 0.00 -1.10 0.00 0.00 60.65 60.23 1b27 s ILE 11 Cb 0.19 -3.43 -0.33 0.00 -1.06 0.00 0.00 42.46 37.83 1b27 s ILE 11 CO 0.55 -0.06 0.90 0.03 -0.10 0.00 0.00 174.94 176.27 1b27 h ARG 12 N 9.59 0.38 -3.41 2.79 3.08 -1.91 -3.49 114.38 121.40 1b27 h ARG 12 Ca -0.40 -0.65 -0.06 0.00 0.07 0.00 0.00 59.98 58.94 1b27 h ARG 12 Cb 1.18 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.42 1b27 h ARG 12 CO 0.95 1.31 0.06 -1.54 -1.07 0.00 0.00 179.97 179.68 1b27 s SER 13 N -7.19 0.09 0.22 7.04 1.04 -1.26 -5.00 113.70 108.64 1b27 s SER 13 Ca -0.13 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.21 1b27 s SER 13 Cb 0.02 0.71 0.19 0.00 0.10 0.00 0.00 66.02 67.04 1b27 s SER 13 CO 0.87 -1.37 1.80 -0.29 0.98 0.00 0.00 173.24 175.22 1b27 h ILE 14 N 2.10 1.26 -0.86 -1.02 6.09 -1.97 -1.20 117.51 121.91 1b27 h ILE 14 Ca -0.27 -0.79 -0.02 0.00 -1.37 0.00 0.00 64.86 62.41 1b27 h ILE 14 Cb 1.25 0.27 -0.04 0.00 0.47 0.00 0.00 36.82 38.77 1b27 h ILE 14 CO 0.35 0.33 0.45 0.28 -3.07 0.00 0.00 178.15 176.48 1b27 h SER 15 N 1.17 1.09 -0.23 2.19 0.02 -1.96 -1.29 113.55 114.54 1b27 h SER 15 Ca 0.27 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1b27 h SER 15 Cb 0.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1b27 h SER 15 CO -0.03 0.89 -0.11 -0.78 -1.14 0.00 0.00 176.83 175.67 1b27 h ASP 16 N 1.21 0.60 0.18 3.07 3.58 -1.87 -1.60 116.42 121.59 1b27 h ASP 16 Ca 0.30 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1b27 h ASP 16 Cb 0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1b27 h ASP 16 CO -0.04 0.74 -0.12 0.25 -2.88 0.00 0.00 179.24 177.19 1b27 h LEU 17 N 0.56 -0.30 -0.90 2.28 6.46 -0.15 -1.49 115.31 121.77 1b27 h LEU 17 Ca 0.10 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1b27 h LEU 17 Cb 0.52 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.49 1b27 h LEU 17 CO 0.03 -0.19 0.57 0.45 -0.62 0.00 0.00 178.44 178.68 1b27 h HIS 18 N -0.30 1.06 -0.55 1.25 3.86 -1.09 0.48 115.15 119.87 1b27 h HIS 18 Ca -0.01 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1b27 h HIS 18 Cb 0.25 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1b27 h HIS 18 CO -0.09 0.57 0.32 1.96 0.86 0.00 0.00 177.93 181.55 1b27 h GLN 19 N 1.07 0.61 -0.56 2.45 7.50 -1.10 0.47 115.11 125.56 1b27 h GLN 19 Ca 0.38 -0.04 -0.06 0.00 0.50 0.00 0.00 58.65 59.43 1b27 h GLN 19 Cb 0.10 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.47 1b27 h GLN 19 CO -0.15 0.40 0.10 1.15 -1.50 0.00 0.00 178.83 178.83 1b27 h THR 20 N 0.63 1.25 -0.60 -0.54 2.02 -0.48 -1.56 112.91 113.63 1b27 h THR 20 Ca 0.23 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 1b27 h THR 20 Cb 0.06 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1b27 h THR 20 CO -0.12 0.35 0.00 -0.07 0.37 0.00 0.00 175.52 176.05 1b27 h LEU 21 N 0.81 1.03 0.14 2.58 3.38 -0.06 0.39 115.31 123.58 1b27 h LEU 21 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1b27 h LEU 21 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1b27 h LEU 21 CO 0.01 1.08 -0.23 0.50 0.09 0.00 0.00 178.44 179.88 1b27 h LYS 22 N 0.96 -0.43 -0.31 1.13 3.64 0.14 0.45 116.57 122.15 1b27 h LYS 22 Ca 0.17 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1b27 h LYS 22 Cb 0.55 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1b27 h LYS 22 CO 0.03 -0.29 -0.27 0.87 -2.27 0.00 0.00 179.45 177.52 1b27 h LYS 23 N -0.45 0.73 -0.89 1.90 1.79 -0.99 -2.04 116.57 116.62 1b27 h LYS 23 Ca 0.02 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1b27 h LYS 23 Cb 0.46 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1b27 h LYS 23 CO -0.12 0.99 0.50 0.93 -1.08 0.00 0.00 179.45 180.67 1b27 h GLU 24 N 0.48 1.24 -0.50 3.15 4.39 -0.13 -3.22 114.58 120.00 1b27 h GLU 24 Ca 0.05 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1b27 h GLU 24 Cb 0.84 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1b27 h GLU 24 CO 0.07 0.90 0.00 1.28 -1.16 0.00 0.00 179.01 180.10 1b27 n LEU 25 N -4.35 3.48 -3.66 1.33 4.77 0.14 -4.80 117.00 113.91 1b27 n LEU 25 Ca 0.09 -1.75 -0.22 0.00 -0.03 0.00 0.00 56.01 54.10 1b27 n LEU 25 Cb 0.09 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1b27 n LEU 25 CO 0.39 0.82 -0.05 0.00 -1.33 0.00 0.00 177.39 177.21 1b27 n ALA 26 N 1.34 -2.09 -1.44 -1.18 0.00 -0.83 -4.83 120.51 111.48 1b27 n ALA 26 Ca 0.19 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1b27 n ALA 26 Cb 0.56 -2.37 0.12 0.00 0.00 0.00 0.00 19.45 17.77 1b27 n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b27 s LEU 27 N -6.56 2.25 0.82 0.00 1.43 -0.83 -4.94 118.68 110.85 1b27 s LEU 27 Ca 0.07 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 1b27 s LEU 27 Cb -0.02 -3.67 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1b27 s LEU 27 CO 0.81 -2.40 1.14 -2.16 0.23 0.00 0.00 176.35 173.97 1b27 s PRO 28 N -5.13 1.68 0.39 1.29 0.04 -1.26 -4.89 135.00 127.13 1b27 s PRO 28 Ca 0.63 1.49 0.18 0.00 0.04 0.00 0.00 61.00 63.34 1b27 s PRO 28 Cb -0.16 -1.81 0.80 0.00 0.04 0.00 0.00 34.50 33.38 1b27 s PRO 28 CO 0.55 -2.13 1.81 1.05 0.04 0.00 0.00 177.00 178.32 1b27 h GLU 29 N -1.23 0.00 -0.02 4.56 -0.00 -1.99 -0.27 114.58 115.63 1b27 h GLU 29 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1b27 h GLU 29 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 1b27 h GLU 29 CO 0.46 0.35 0.00 2.48 -0.00 0.00 0.00 179.01 182.30 1b27 n TYR 30 N -3.74 0.02 -1.49 2.06 0.18 -1.26 -4.95 117.16 107.98 1b27 n TYR 30 Ca -0.01 -0.01 -0.58 0.00 1.88 0.00 0.00 57.90 59.18 1b27 n TYR 30 Cb 0.44 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.31 1b27 n TYR 30 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1b27 n TYR 31 N -0.62 1.49 0.95 -3.48 9.36 -0.11 -4.83 117.16 119.91 1b27 n TYR 31 Ca 0.19 0.97 0.10 0.00 3.32 0.00 0.00 57.90 62.48 1b27 n TYR 31 Cb 0.15 -1.92 0.50 0.00 -0.63 0.00 0.00 39.34 37.44 1b27 n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1b27 n GLY 32 N 3.59 -0.89 3.67 2.98 0.00 -1.26 -4.94 105.19 108.34 1b27 n GLY 32 Ca 0.28 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1b27 n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b27 n GLU 33 N -1.25 -1.18 -3.63 1.61 1.02 -1.26 -4.94 120.64 111.00 1b27 n GLU 33 Ca 0.10 0.55 -0.04 0.00 -0.02 0.00 0.00 57.16 57.75 1b27 n GLU 33 Cb 0.14 -3.94 -0.01 0.00 -0.02 0.00 0.00 31.44 27.61 1b27 n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b27 s ASN 34 N -3.37 -0.21 0.40 1.62 2.20 -1.26 -4.99 114.94 109.32 1b27 s ASN 34 Ca 0.39 -0.17 0.12 0.00 -0.94 0.00 0.00 52.86 52.25 1b27 s ASN 34 Cb -0.14 0.36 0.83 0.00 -2.00 0.00 0.00 41.25 40.29 1b27 s ASN 34 CO 0.86 -0.62 1.91 -0.07 -2.94 0.00 0.00 177.10 176.24 1b27 h LEU 35 N 2.00 0.09 -0.18 3.54 3.38 -1.99 -1.06 115.31 121.09 1b27 h LEU 35 Ca -0.23 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 1b27 h LEU 35 Cb 1.22 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1b27 h LEU 35 CO 0.27 0.32 -0.77 0.44 0.09 0.00 0.00 178.44 178.79 1b27 h ASP 36 N 0.09 0.93 -0.13 -0.43 3.32 -1.98 -1.24 116.42 116.99 1b27 h ASP 36 Ca 0.02 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.47 1b27 h ASP 36 Cb 0.44 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1b27 h ASP 36 CO 0.03 1.40 0.05 0.00 -1.72 0.00 0.00 179.24 179.00 1b27 h ALA 37 N 0.58 0.14 -0.10 3.45 0.00 -1.88 -0.02 119.26 121.44 1b27 h ALA 37 Ca -0.05 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1b27 h ALA 37 Cb 1.39 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1b27 h ALA 37 CO 0.16 -0.40 -0.15 1.25 0.00 0.00 0.00 179.25 180.11 1b27 h LEU 38 N 0.12 -0.46 -0.30 0.00 5.85 -1.20 0.16 115.31 119.48 1b27 h LEU 38 Ca 0.05 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1b27 h LEU 38 Cb 0.02 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1b27 h LEU 38 CO -0.05 -0.20 0.15 -0.25 -0.34 0.00 0.00 178.44 177.75 1b27 h TRP 39 N -0.20 0.28 -0.13 1.25 2.91 -1.03 0.31 115.95 119.35 1b27 h TRP 39 Ca 0.08 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.14 1b27 h TRP 39 Cb 0.32 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1b27 h TRP 39 CO -0.25 0.16 -0.06 0.22 -1.03 0.00 0.00 178.44 177.47 1b27 h ASP 40 N 0.32 -0.21 -0.96 2.65 3.58 -0.70 -1.14 116.42 119.96 1b27 h ASP 40 Ca 0.12 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.65 1b27 h ASP 40 Cb 0.03 0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 1b27 h ASP 40 CO -0.08 -0.09 0.63 0.00 -2.88 0.00 0.00 179.24 176.83 1b27 h ALA 41 N 1.06 1.36 0.00 -0.78 0.00 0.12 0.38 119.26 121.40 1b27 h ALA 41 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1b27 h ALA 41 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1b27 h ALA 41 CO -0.16 0.56 -0.29 -0.07 0.00 0.00 0.00 179.25 179.29 1b27 h LEU 42 N 1.24 0.00 -0.14 0.00 3.38 0.23 -1.94 115.31 118.09 1b27 h LEU 42 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1b27 h LEU 42 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1b27 h LEU 42 CO -0.11 0.29 -0.71 0.35 0.09 0.00 0.00 178.44 178.35 1b27 n THR 43 N -3.30 0.00 -2.51 0.22 -2.24 -0.49 -4.76 114.28 101.21 1b27 n THR 43 Ca 0.01 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 1b27 n THR 43 Cb 0.54 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1b27 n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b27 n GLY 44 N 1.36 1.36 2.10 3.38 0.00 0.13 -4.99 105.19 108.52 1b27 n GLY 44 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1b27 n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b27 n TRP 45 N -0.45 -3.16 -1.96 1.61 -0.00 -1.02 -4.89 117.44 107.58 1b27 n TRP 45 Ca -0.09 0.72 -0.36 0.00 -0.00 0.00 0.00 57.50 57.77 1b27 n TRP 45 Cb 0.88 1.96 0.04 0.00 -0.00 0.00 0.00 31.31 34.19 1b27 n TRP 45 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1b27 s VAL 46 N -2.00 2.51 0.62 5.87 -7.23 -0.76 -5.00 120.40 114.40 1b27 s VAL 46 Ca 0.00 0.32 -0.16 0.00 -1.81 0.00 0.00 61.98 60.33 1b27 s VAL 46 Cb 0.00 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1b27 s VAL 46 CO 0.00 -0.07 1.09 -0.70 -0.31 0.00 0.00 175.10 175.11 1b27 s GLU 47 N -3.33 3.10 0.05 4.82 2.12 -1.26 -4.99 118.70 119.21 1b27 s GLU 47 Ca 0.78 1.32 0.04 0.00 0.36 0.00 0.00 54.97 57.48 1b27 s GLU 47 Cb -0.32 -1.99 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 1b27 s GLU 47 CO 0.34 -1.00 -0.11 0.71 -0.54 0.00 0.00 175.26 174.66 1b27 s TYR 48 N -2.34 0.98 0.53 5.30 2.02 -1.26 -4.22 117.35 118.37 1b27 s TYR 48 Ca 0.66 -0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.73 1b27 s TYR 48 Cb -0.19 -0.57 -0.06 0.00 -0.40 0.00 0.00 41.96 40.74 1b27 s TYR 48 CO 0.38 -0.00 1.06 -1.25 -1.57 0.00 0.00 175.55 174.17 1b27 s PRO 49 N -1.51 3.55 -0.21 -1.71 0.04 -1.26 -5.09 135.00 128.81 1b27 s PRO 49 Ca -0.04 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1b27 s PRO 49 Cb -0.09 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1b27 s PRO 49 CO 0.01 -0.64 -0.05 -1.17 0.04 0.00 0.00 177.00 175.19 1b27 s LEU 50 N -3.88 2.89 -0.30 -3.56 2.96 -0.30 -5.03 118.68 111.47 1b27 s LEU 50 Ca 0.67 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 1b27 s LEU 50 Cb -0.18 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1b27 s LEU 50 CO 0.27 0.01 0.08 -0.69 -1.32 0.00 0.00 176.35 174.69 1b27 s VAL 51 N 1.30 3.90 -0.23 1.68 1.01 -1.26 -0.44 120.40 126.36 1b27 s VAL 51 Ca 0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1b27 s VAL 51 Cb -0.14 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1b27 s VAL 51 CO -0.02 0.06 -0.05 -0.22 0.00 0.00 0.00 175.10 174.87 1b27 s LEU 52 N 1.48 2.97 -0.29 3.92 2.96 0.12 -1.50 118.68 128.34 1b27 s LEU 52 Ca 0.02 -0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1b27 s LEU 52 Cb -0.17 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1b27 s LEU 52 CO 0.02 -0.05 0.13 -0.70 -1.32 0.00 0.00 176.35 174.43 1b27 s GLU 53 N 1.45 3.47 -1.03 1.98 2.12 -0.05 -0.33 118.70 126.30 1b27 s GLU 53 Ca 0.05 -0.62 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 1b27 s GLU 53 Cb -0.15 -3.50 0.23 0.00 0.26 0.00 0.00 34.13 30.98 1b27 s GLU 53 CO -0.04 -0.33 1.06 -0.46 -0.54 0.00 0.00 175.26 174.95 1b27 s TRP 54 N 1.62 3.91 -0.21 5.30 -0.11 0.01 -0.97 118.94 128.49 1b27 s TRP 54 Ca 0.05 -2.29 -0.29 0.00 1.22 0.00 0.00 56.10 54.79 1b27 s TRP 54 Cb -0.16 -3.94 0.01 0.00 -1.50 0.00 0.00 33.47 27.87 1b27 s TRP 54 CO 0.06 -1.07 1.01 0.50 -4.62 0.00 0.00 176.95 172.83 1b27 s ARG 55 N -0.08 4.28 -0.59 5.86 3.52 -0.57 -3.13 118.95 128.23 1b27 s ARG 55 Ca 0.29 1.32 -0.17 0.00 -0.13 0.00 0.00 55.73 57.04 1b27 s ARG 55 Cb -0.08 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1b27 s ARG 55 CO -0.07 -0.57 0.57 1.04 -0.81 0.00 0.00 175.30 175.46 1b27 n GLN 56 N 6.08 -1.57 0.00 5.12 6.02 -1.26 0.06 117.38 131.83 1b27 n GLN 56 Ca 0.11 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 58.06 1b27 n GLN 56 Cb 0.47 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.82 1b27 n GLN 56 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1b27 n PHE 57 N -1.38 0.00 -0.08 1.08 0.99 -1.26 -3.25 117.46 113.55 1b27 n PHE 57 Ca -0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.11 1b27 n PHE 57 Cb 0.63 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 39.01 1b27 n PHE 57 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1b27 h GLY 67 N 0.00 -1.04 0.96 1.37 0.00 -2.05 -3.63 103.07 98.68 1b27 h GLY 67 Ca 0.00 0.70 -0.15 0.00 0.00 0.00 0.00 47.33 47.88 1b27 h GLY 67 CO 0.00 -0.15 -0.47 0.00 0.00 0.00 0.00 176.54 175.92 1b27 h ALA 68 N -0.15 0.30 -0.88 3.60 0.00 -2.01 -3.18 119.26 116.94 1b27 h ALA 68 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1b27 h ALA 68 Cb 0.63 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1b27 h ALA 68 CO -0.53 0.45 0.56 1.49 0.00 0.00 0.00 179.25 181.23 1b27 h GLU 69 N 0.31 1.17 -0.62 0.00 4.57 -2.05 -0.56 114.58 117.41 1b27 h GLU 69 Ca -0.01 -0.08 0.12 0.00 -1.18 0.00 0.00 59.36 58.21 1b27 h GLU 69 Cb 1.09 -0.26 -0.12 0.00 -0.16 0.00 0.00 28.75 29.30 1b27 h GLU 69 CO 0.10 0.79 -0.18 0.77 -1.18 0.00 0.00 179.01 179.32 1b27 h SER 70 N 1.19 -0.65 -0.20 1.04 0.02 -1.99 0.40 113.55 113.37 1b27 h SER 70 Ca 0.32 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.44 1b27 h SER 70 Cb -0.10 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1b27 h SER 70 CO -0.07 -0.22 0.03 0.58 -1.14 0.00 0.00 176.83 176.02 1b27 h VAL 71 N -0.02 1.22 -0.29 2.27 2.07 -1.42 -2.36 116.25 117.71 1b27 h VAL 71 Ca 0.29 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1b27 h VAL 71 Cb 0.47 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1b27 h VAL 71 CO -0.65 0.23 0.14 0.25 0.02 0.00 0.00 177.57 177.56 1b27 h LEU 72 N 0.13 0.21 -2.02 2.57 5.85 -0.44 -0.58 115.31 121.02 1b27 h LEU 72 Ca 0.06 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1b27 h LEU 72 Cb 0.32 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1b27 h LEU 72 CO 0.00 0.16 0.13 -0.61 -0.34 0.00 0.00 178.44 177.78 1b27 h GLN 73 N 0.30 0.00 -0.53 1.25 5.75 -0.12 -1.41 115.11 120.35 1b27 h GLN 73 Ca 0.12 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 1b27 h GLN 73 Cb 0.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1b27 h GLN 73 CO -0.09 0.00 -0.14 0.28 -2.65 0.00 0.00 178.83 176.24 1b27 h VAL 74 N 0.00 1.27 -0.59 2.39 2.07 -0.56 -1.22 116.25 119.61 1b27 h VAL 74 Ca 0.08 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1b27 h VAL 74 Cb 0.34 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1b27 h VAL 74 CO -0.00 0.45 0.11 -0.26 0.02 0.00 0.00 177.57 177.89 1b27 h PHE 75 N 0.90 1.03 -0.64 1.57 -1.00 -1.07 -0.64 116.94 117.09 1b27 h PHE 75 Ca 0.13 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1b27 h PHE 75 Cb 0.70 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 1b27 h PHE 75 CO 0.05 0.89 0.20 0.00 -1.61 0.00 0.00 178.31 177.84 1b27 h ARG 76 N 0.88 1.00 -0.83 1.51 3.08 -1.11 -1.02 114.38 117.89 1b27 h ARG 76 Ca 0.18 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1b27 h ARG 76 Cb 0.40 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1b27 h ARG 76 CO 0.01 0.87 0.38 0.93 -1.07 0.00 0.00 179.97 181.09 1b27 h GLU 77 N 0.92 1.21 -0.37 0.04 4.39 -1.00 0.23 114.58 120.00 1b27 h GLU 77 Ca 0.21 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1b27 h GLU 77 Cb 0.29 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1b27 h GLU 77 CO -0.01 0.94 0.22 0.00 -1.16 0.00 0.00 179.01 179.01 1b27 h ALA 78 N 1.21 0.47 -0.64 3.43 0.00 -0.79 0.33 119.26 123.28 1b27 h ALA 78 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1b27 h ALA 78 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1b27 h ALA 78 CO -0.03 -0.03 0.33 -0.22 0.00 0.00 0.00 179.25 179.30 1b27 h LYS 79 N 0.48 0.89 0.00 0.00 3.64 -0.55 -1.01 116.57 120.02 1b27 h LYS 79 Ca 0.13 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1b27 h LYS 79 Cb 0.00 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1b27 h LYS 79 CO -0.02 0.66 -0.05 0.00 -2.27 0.00 0.00 179.45 177.77 1b27 h ALA 80 N 1.48 0.98 0.00 5.00 0.00 0.03 -2.17 119.26 124.57 1b27 h ALA 80 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1b27 h ALA 80 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1b27 h ALA 80 CO -0.03 0.06 0.00 1.49 0.00 0.00 0.00 179.25 180.77 1b27 h GLU 81 N 0.00 0.00 0.00 0.00 4.57 0.93 -3.46 114.58 116.62 1b27 h GLU 81 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1b27 h GLU 81 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1b27 h GLU 81 CO 0.01 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 1b27 n GLY 82 N 0.33 1.72 3.77 1.92 0.00 -0.82 -5.07 105.19 107.04 1b27 n GLY 82 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1b27 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b27 s ALA 83 N -1.69 3.23 -1.30 4.61 0.00 -0.76 -4.86 121.76 121.00 1b27 s ALA 83 Ca 0.00 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 1b27 s ALA 83 Cb 0.00 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.67 1b27 s ALA 83 CO 0.00 -1.04 1.74 -3.47 0.00 0.00 0.00 175.76 172.99 1b27 n ASP 84 N -0.09 4.89 -4.28 0.00 2.03 -1.26 -4.35 116.55 113.48 1b27 n ASP 84 Ca 0.05 -2.93 -0.34 0.00 0.52 0.00 0.00 54.79 52.09 1b27 n ASP 84 Cb 0.43 -1.70 -0.15 0.00 -0.72 0.00 0.00 41.12 38.98 1b27 n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1b27 s ILE 85 N 3.46 2.84 -0.22 5.18 1.01 -1.26 -1.15 121.20 131.07 1b27 s ILE 85 Ca 0.51 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1b27 s ILE 85 Cb 0.04 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1b27 s ILE 85 CO 0.04 0.50 0.07 -0.89 0.00 0.00 0.00 174.94 174.66 1b27 s THR 86 N 0.93 4.54 -0.17 2.92 2.01 0.41 -4.92 115.64 121.36 1b27 s THR 86 Ca -0.03 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 1b27 s THR 86 Cb -0.15 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1b27 s THR 86 CO -0.01 0.39 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.59 1b27 s ILE 87 N 1.02 3.20 -0.27 1.82 1.01 -1.26 0.15 121.20 126.87 1b27 s ILE 87 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1b27 s ILE 87 Cb -0.14 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 1b27 s ILE 87 CO 0.03 0.48 0.10 -0.63 0.00 0.00 0.00 174.94 174.92 1b27 s ILE 88 N 0.83 4.35 -0.80 2.92 1.01 0.55 -4.98 121.20 125.07 1b27 s ILE 88 Ca -0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 1b27 s ILE 88 Cb -0.15 -3.12 0.17 0.00 0.01 0.00 0.00 42.46 39.38 1b27 s ILE 88 CO 0.01 0.22 0.83 -0.76 0.00 0.00 0.00 174.94 175.24 1b27 s LEU 89 N 1.60 6.08 0.00 2.97 1.43 -1.26 -0.81 118.68 128.68 1b27 s LEU 89 Ca 0.05 -2.27 0.08 0.00 -1.03 0.00 0.00 54.13 50.96 1b27 s LEU 89 Cb -0.16 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.85 1b27 s LEU 89 CO 0.04 -0.80 0.75 -1.54 0.23 0.00 0.00 176.35 175.04