#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 n ILE 2 N 0.00 0.00 -2.91 0.52 -0.00 -1.26 -4.97 119.36 110.73 1ab3 n ILE 2 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1ab3 n ILE 2 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.46 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1ab3 n THR 3 N -2.85 0.00 0.00 1.39 5.66 -1.26 -4.95 114.28 112.27 1ab3 n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ab3 n THR 3 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1ab3 n THR 3 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ab3 n LYS 4 N 0.00 0.00 -0.38 1.09 3.00 -1.26 -2.54 118.16 118.07 1ab3 n LYS 4 Ca 0.00 0.20 0.04 0.00 -0.00 0.00 0.00 58.31 58.55 1ab3 n LYS 4 Cb 0.00 -0.78 0.18 0.00 0.00 0.00 0.00 35.03 34.43 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ab3 n GLU 5 N -0.49 2.66 -0.08 1.64 -0.58 -1.26 -3.82 120.64 118.72 1ab3 n GLU 5 Ca 0.00 -1.44 0.09 0.00 -0.42 0.00 0.00 57.16 55.39 1ab3 n GLU 5 Cb 0.00 -1.76 0.37 0.00 -0.57 0.00 0.00 31.44 29.47 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ab3 n GLU 6 N 0.33 1.58 0.00 3.49 -0.58 -1.05 -4.02 120.64 120.39 1ab3 n GLU 6 Ca 0.13 -0.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 1ab3 n GLU 6 Cb 0.63 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ab3 n LYS 7 N 0.12 0.00 -0.25 3.49 -0.00 -1.24 -4.40 118.16 115.89 1ab3 n LYS 7 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.47 1ab3 n LYS 7 Cb 0.27 -0.48 0.14 0.00 -0.00 0.00 0.00 35.03 34.96 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ab3 h GLN 8 N 0.00 0.58 0.00 -1.58 1.08 -1.72 0.11 115.11 113.59 1ab3 h GLN 8 Ca 0.00 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1ab3 h GLN 8 Cb 0.00 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1ab3 h GLN 8 CO 0.00 0.39 -0.36 1.57 -0.95 0.00 0.00 178.83 179.47 1ab3 h LYS 9 N 0.60 0.00 0.46 1.46 2.10 -1.89 -0.87 116.57 118.43 1ab3 h LYS 9 Ca 0.36 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.98 1ab3 h LYS 9 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1ab3 h LYS 9 CO -0.28 0.36 -0.22 0.28 -2.00 0.00 0.00 179.45 177.60 1ab3 h VAL 10 N 0.00 0.46 -0.12 0.07 2.07 -1.09 -3.00 116.25 114.64 1ab3 h VAL 10 Ca -0.00 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1ab3 h VAL 10 Cb 0.96 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ab3 h VAL 10 CO 0.05 0.06 -0.26 0.16 0.02 0.00 0.00 177.57 177.60 1ab3 h ILE 11 N -0.90 1.38 -1.20 4.57 -2.65 -1.38 -1.14 117.51 116.19 1ab3 h ILE 11 Ca -0.06 -1.55 0.43 0.00 1.03 0.00 0.00 64.86 64.71 1ab3 h ILE 11 Cb 0.58 2.08 -0.13 0.00 -2.05 0.00 0.00 36.82 37.30 1ab3 h ILE 11 CO 0.10 0.45 0.76 0.00 0.03 0.00 0.00 178.15 179.49 1ab3 n GLN 12 N -4.45 -0.04 -0.01 0.16 6.02 -0.33 0.28 117.38 119.00 1ab3 n GLN 12 Ca -0.07 1.17 -0.16 0.00 -0.01 0.00 0.00 57.00 57.93 1ab3 n GLN 12 Cb 0.45 -2.27 -0.14 0.00 1.02 0.00 0.00 30.24 29.30 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ab3 n GLU 13 N -4.64 0.70 -0.01 -1.09 0.00 -1.13 -4.65 120.64 109.83 1ab3 n GLU 13 Ca 0.37 0.26 -0.01 0.00 0.00 0.00 0.00 57.16 57.78 1ab3 n GLU 13 Cb 1.40 -1.73 -0.00 0.00 0.00 0.00 0.00 31.44 31.10 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1ab3 h PHE 14 N 0.04 0.00 -2.52 4.31 0.04 0.50 -3.45 116.94 115.86 1ab3 h PHE 14 Ca -0.38 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.86 1ab3 h PHE 14 Cb 2.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.19 1ab3 h PHE 14 CO 0.04 0.00 1.13 0.00 -0.60 0.00 0.00 178.31 178.89 1ab3 s ALA 15 N -2.96 3.63 -0.31 2.45 0.00 0.79 -4.84 121.76 120.53 1ab3 s ALA 15 Ca -0.02 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.17 1ab3 s ALA 15 Cb 0.00 -3.78 0.44 0.00 0.00 0.00 0.00 23.12 19.78 1ab3 s ALA 15 CO 0.03 -1.40 1.63 2.89 0.00 0.00 0.00 175.76 178.92 1ab3 n ARG 16 N 6.86 1.85 -3.66 0.00 0.00 -1.26 -4.18 116.66 116.26 1ab3 n ARG 16 Ca 0.18 -2.01 -0.00 0.00 -0.00 0.00 0.00 57.85 56.02 1ab3 n ARG 16 Cb 0.41 -1.79 -0.01 0.00 -0.00 0.00 0.00 32.46 31.07 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ab3 s PHE 17 N -2.21 -0.08 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.47 1ab3 s PHE 17 Ca 0.38 -0.08 0.18 0.00 0.12 0.00 0.00 56.93 57.53 1ab3 s PHE 17 Cb 0.32 0.57 1.08 0.00 -0.57 0.00 0.00 43.02 44.43 1ab3 s PHE 17 CO 0.07 -0.44 1.52 -0.35 -0.10 0.00 0.00 175.22 175.91 1ab3 n PRO 18 N -0.46 0.70 0.00 0.24 -0.04 -1.26 -2.46 135.00 131.71 1ab3 n PRO 18 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ab3 n PRO 18 Cb 0.62 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1ab3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab3 n GLY 19 N 0.36 0.09 1.19 0.55 0.00 -1.26 -4.68 105.19 101.44 1ab3 n GLY 19 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ab3 n ASP 20 N -0.20 3.37 0.08 1.61 9.92 -1.03 -3.68 116.55 126.63 1ab3 n ASP 20 Ca 0.00 -2.44 0.07 0.00 -0.53 0.00 0.00 54.79 51.89 1ab3 n ASP 20 Cb 0.07 -0.56 -0.02 0.00 -0.64 0.00 0.00 41.12 39.97 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1ab3 h THR 21 N 2.15 0.19 0.00 -3.53 1.35 -1.84 -3.31 112.91 107.92 1ab3 h THR 21 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1ab3 h THR 21 Cb 1.21 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1ab3 h THR 21 CO 0.23 0.11 -0.96 0.61 -0.25 0.00 0.00 175.52 175.27 1ab3 n GLY 22 N 1.25 -1.03 3.12 5.82 0.00 -1.24 -4.52 105.19 108.60 1ab3 n GLY 22 Ca -0.03 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1ab3 n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ab3 n SER 23 N -1.52 -2.99 0.15 1.61 7.64 -1.25 -4.73 113.62 112.53 1ab3 n SER 23 Ca 0.04 -0.01 0.06 0.00 1.01 0.00 0.00 58.87 59.97 1ab3 n SER 23 Cb 0.34 -0.73 0.06 0.00 -1.01 0.00 0.00 64.21 62.87 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1ab3 h THR 24 N -1.43 0.48 0.01 0.44 2.02 -1.93 -3.04 112.91 109.46 1ab3 h THR 24 Ca -0.45 -1.71 -0.18 0.00 0.77 0.00 0.00 66.41 64.85 1ab3 h THR 24 Cb 1.37 2.18 0.01 0.00 -1.74 0.00 0.00 68.15 69.98 1ab3 h THR 24 CO 0.28 0.27 -0.69 -0.33 0.37 0.00 0.00 175.52 175.43 1ab3 h GLU 25 N 0.00 0.46 -0.26 6.66 5.08 -1.94 -1.36 114.58 123.22 1ab3 h GLU 25 Ca -0.02 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 57.76 1ab3 h GLU 25 Cb 1.25 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1ab3 h GLU 25 CO 0.04 1.15 -0.18 0.28 -1.00 0.00 0.00 179.01 179.30 1ab3 h VAL 26 N -0.02 1.24 0.10 3.13 2.07 -1.82 -2.58 116.25 118.37 1ab3 h VAL 26 Ca -0.09 -1.11 -0.29 0.00 0.82 0.00 0.00 66.70 66.03 1ab3 h VAL 26 Cb 1.40 1.25 0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1ab3 h VAL 26 CO 0.14 0.36 -1.21 0.06 0.02 0.00 0.00 177.57 176.93 1ab3 h GLN 27 N 0.42 0.65 -0.83 1.57 -0.00 -1.56 -2.97 115.11 112.38 1ab3 h GLN 27 Ca 0.07 -0.83 0.20 0.00 -0.00 0.00 0.00 58.65 58.09 1ab3 h GLN 27 Cb 0.56 0.27 -0.05 0.00 -0.00 0.00 0.00 27.48 28.25 1ab3 h GLN 27 CO 0.04 1.38 0.56 0.28 -0.00 0.00 0.00 178.83 181.09 1ab3 h VAL 28 N 0.30 0.69 -0.36 1.86 2.07 -1.04 0.54 116.25 120.30 1ab3 h VAL 28 Ca -0.18 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1ab3 h VAL 28 Cb 1.88 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1ab3 h VAL 28 CO 0.23 0.05 -0.15 0.00 0.02 0.00 0.00 177.57 177.73 1ab3 h ALA 29 N 1.62 0.51 0.00 1.67 0.00 -1.32 -1.63 119.26 120.11 1ab3 h ALA 29 Ca 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ab3 h ALA 29 Cb 1.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ab3 h ALA 29 CO -0.12 0.41 0.00 1.47 0.00 0.00 0.00 179.25 181.02 1ab3 n LEU 30 N -4.33 0.40 0.14 0.00 -0.00 0.15 -1.96 117.00 111.40 1ab3 n LEU 30 Ca -0.02 0.59 -0.00 0.00 -0.00 0.00 0.00 56.01 56.58 1ab3 n LEU 30 Cb 0.39 -0.53 0.27 0.00 -0.00 0.00 0.00 43.42 43.54 1ab3 n LEU 30 CO 0.43 -0.41 0.65 0.17 -0.00 0.00 0.00 177.39 178.23 1ab3 h LEU 31 N 0.00 0.11 0.07 1.47 8.10 0.47 -2.07 115.31 123.46 1ab3 h LEU 31 Ca 0.00 -0.05 -0.28 0.00 0.11 0.00 0.00 57.88 57.66 1ab3 h LEU 31 Cb 0.34 -0.03 0.02 0.00 -0.44 0.00 0.00 40.66 40.55 1ab3 h LEU 31 CO 0.00 0.53 -1.21 0.00 -4.11 0.00 0.00 178.44 173.65 1ab3 h THR 32 N 0.09 1.37 0.23 0.15 1.03 -1.37 -3.11 112.91 111.30 1ab3 h THR 32 Ca 0.01 -2.67 -0.01 0.00 -0.01 0.00 0.00 66.41 63.72 1ab3 h THR 32 Cb 0.80 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 70.64 1ab3 h THR 32 CO 0.06 0.80 -0.11 0.25 -0.01 0.00 0.00 175.52 176.51 1ab3 h LEU 33 N 0.19 -0.26 -1.26 0.00 6.46 -1.48 -1.45 115.31 117.51 1ab3 h LEU 33 Ca -0.16 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1ab3 h LEU 33 Cb 1.89 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.89 1ab3 h LEU 33 CO 0.22 -0.06 0.00 0.54 -0.62 0.00 0.00 178.44 178.52 1ab3 n ARG 34 N -5.16 0.12 -0.07 1.25 1.74 -0.80 -1.73 116.66 112.01 1ab3 n ARG 34 Ca -0.09 0.62 -0.11 0.00 -0.77 0.00 0.00 57.85 57.50 1ab3 n ARG 34 Cb 0.19 -1.91 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 1ab3 n ARG 34 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ab3 h ILE 35 N 0.00 0.87 -0.77 0.55 5.03 -1.22 -3.17 117.51 118.79 1ab3 h ILE 35 Ca 0.00 -1.76 -0.01 0.00 -0.12 0.00 0.00 64.86 62.97 1ab3 h ILE 35 Cb 0.01 1.75 -0.04 0.00 -3.03 0.00 0.00 36.82 35.51 1ab3 h ILE 35 CO 0.00 0.29 0.42 0.78 -0.68 0.00 0.00 178.15 178.97 1ab3 h ASN 36 N -1.00 0.95 -0.10 1.72 2.35 -0.87 -0.97 115.58 117.67 1ab3 h ASN 36 Ca -0.08 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ab3 h ASN 36 Cb 0.73 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1ab3 h ASN 36 CO -0.05 0.77 0.00 0.54 -1.65 0.00 0.00 177.43 177.04 1ab3 n ARG 37 N -4.35 1.25 -0.03 0.81 1.74 -0.71 -3.25 116.66 112.12 1ab3 n ARG 37 Ca 0.08 -0.38 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 1ab3 n ARG 37 Cb 0.10 -1.11 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab3 n LEU 38 N -0.21 1.10 0.03 0.55 -0.00 -0.37 -4.04 117.00 114.06 1ab3 n LEU 38 Ca 0.05 0.32 0.12 0.00 -0.00 0.00 0.00 56.01 56.50 1ab3 n LEU 38 Cb 0.10 -0.02 0.18 0.00 -0.00 0.00 0.00 43.42 43.68 1ab3 n LEU 38 CO 0.03 0.49 0.34 -0.24 -0.00 0.00 0.00 177.39 178.01 1ab3 n SER 39 N -3.08 0.60 -1.50 1.96 2.88 -1.20 -3.77 113.62 109.50 1ab3 n SER 39 Ca -0.22 -0.09 0.02 0.00 -1.33 0.00 0.00 58.87 57.25 1ab3 n SER 39 Cb 1.06 0.30 0.26 0.00 -0.75 0.00 0.00 64.21 65.08 1ab3 n SER 39 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ab3 n GLU 40 N -1.82 3.45 -0.00 -1.46 1.02 -1.24 -4.10 120.64 116.49 1ab3 n GLU 40 Ca 0.04 -2.13 -0.22 0.00 -0.02 0.00 0.00 57.16 54.83 1ab3 n GLU 40 Cb 0.39 -2.00 -0.14 0.00 -0.02 0.00 0.00 31.44 29.68 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ab3 h HIS 41 N 2.47 0.43 0.00 -0.32 2.76 -1.74 -3.32 115.15 115.44 1ab3 h HIS 41 Ca 0.05 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1ab3 h HIS 41 Cb 1.61 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.55 1ab3 h HIS 41 CO 0.79 1.68 0.00 1.28 -1.30 0.00 0.00 177.93 180.38 1ab3 n LEU 42 N -3.75 0.00 -0.70 0.26 4.77 -1.26 -1.74 117.00 114.58 1ab3 n LEU 42 Ca -0.29 0.25 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1ab3 n LEU 42 Cb 0.96 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.89 1ab3 n LEU 42 CO 0.40 -0.13 0.43 0.29 -1.33 0.00 0.00 177.39 177.05 1ab3 n LYS 43 N -1.25 1.78 0.00 3.23 4.76 -1.25 -4.03 118.16 121.40 1ab3 n LYS 43 Ca 0.07 -0.70 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1ab3 n LYS 43 Cb 0.11 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ab3 n VAL 44 N 0.11 0.00 -0.02 -0.18 0.31 -1.06 -4.97 118.33 112.52 1ab3 n VAL 44 Ca 0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 1ab3 n VAL 44 Cb 0.39 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.27 1ab3 n VAL 44 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1ab3 h HIS 45 N 0.00 -0.82 -6.07 3.52 3.86 -1.48 -3.45 115.15 110.71 1ab3 h HIS 45 Ca 0.00 0.03 -0.42 0.00 -1.16 0.00 0.00 60.37 58.82 1ab3 h HIS 45 Cb 0.00 0.37 0.05 0.00 1.06 0.00 0.00 27.41 28.90 1ab3 h HIS 45 CO 0.00 -0.26 -0.80 1.63 0.86 0.00 0.00 177.93 179.35 1ab3 n LYS 46 N -4.00 -5.34 -1.01 2.45 5.02 -1.26 -4.84 118.16 109.17 1ab3 n LYS 46 Ca -0.03 0.65 -0.06 0.00 -2.02 0.00 0.00 58.31 56.85 1ab3 n LYS 46 Cb 0.18 -5.34 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 1ab3 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ab3 n LYS 47 N -4.37 0.05 0.00 1.97 5.02 -1.26 -4.99 118.16 114.58 1ab3 n LYS 47 Ca -0.22 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 1ab3 n LYS 47 Cb 0.65 0.50 0.00 0.00 -0.02 0.00 0.00 35.03 36.15 1ab3 n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ab3 n ASP 48 N -0.05 0.00 -3.46 4.39 2.03 -1.26 -5.16 116.55 113.03 1ab3 n ASP 48 Ca -0.25 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.87 1ab3 n ASP 48 Cb 0.66 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.24 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ab3 n HIS 49 N 0.00 -2.75 -1.61 -0.67 8.25 -1.26 -2.77 115.22 114.41 1ab3 n HIS 49 Ca 0.00 -0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 57.11 1ab3 n HIS 49 Cb 0.00 -1.36 -0.05 0.00 1.12 0.00 0.00 29.99 29.69 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ab3 n HIS 50 N -4.71 -0.47 -1.82 4.41 -0.00 -1.26 -4.84 115.22 106.53 1ab3 n HIS 50 Ca 0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.38 1ab3 n HIS 50 Cb 0.37 -2.83 -0.03 0.00 -0.00 0.00 0.00 29.99 27.50 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ab3 s SER 51 N -2.22 6.54 -0.00 0.41 0.15 -1.12 -4.69 113.70 112.77 1ab3 s SER 51 Ca 0.00 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1ab3 s SER 51 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1ab3 s SER 51 CO 0.00 -0.99 0.18 0.00 1.20 0.00 0.00 173.24 173.63 1ab3 n HIS 52 N 7.14 -0.02 0.29 3.44 1.44 -1.26 -4.97 115.22 121.29 1ab3 n HIS 52 Ca 0.18 -0.08 0.15 0.00 -2.01 0.00 0.00 57.72 55.97 1ab3 n HIS 52 Cb 0.42 0.31 0.87 0.00 0.12 0.00 0.00 29.99 31.70 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ab3 h ARG 53 N 0.01 0.00 0.00 -1.40 3.08 -2.00 -3.38 114.38 110.68 1ab3 h ARG 53 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1ab3 h ARG 53 Cb 0.66 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.59 1ab3 h ARG 53 CO -0.04 0.06 0.08 0.41 -1.07 0.00 0.00 179.97 179.40 1ab3 n GLY 54 N -0.90 -1.85 1.49 0.04 0.00 -1.26 -5.00 105.19 97.71 1ab3 n GLY 54 Ca -0.02 1.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.96 1ab3 n GLY 54 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ab3 n LEU 55 N 0.98 4.42 0.00 0.99 7.94 -1.26 -4.62 117.00 125.45 1ab3 n LEU 55 Ca -0.04 -2.30 0.00 0.00 -1.11 0.00 0.00 56.01 52.57 1ab3 n LEU 55 Cb 0.74 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1ab3 n LEU 55 CO -0.14 0.67 0.00 0.18 -1.11 0.00 0.00 177.39 176.99 1ab3 n LEU 56 N -0.12 0.00 0.00 -1.96 4.77 -1.26 -4.85 117.00 113.58 1ab3 n LEU 56 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ab3 n LEU 56 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1ab3 n LEU 56 CO 0.26 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 177.12 1ab3 n MET 57 N 0.00 0.00 0.20 3.23 1.56 -1.26 -1.69 117.12 119.16 1ab3 n MET 57 Ca 0.00 0.00 0.17 0.00 -0.27 0.00 0.00 57.70 57.60 1ab3 n MET 57 Cb 0.00 0.00 0.72 0.00 2.15 0.00 0.00 33.22 36.09 1ab3 n MET 57 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ab3 h MET 58 N 0.00 0.00 -0.51 2.12 -0.00 -1.94 0.48 114.93 115.09 1ab3 h MET 58 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 1ab3 h MET 58 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 1ab3 h MET 58 CO 0.00 0.00 0.21 0.28 -0.00 0.00 0.00 176.91 177.40 1ab3 h VAL 59 N 0.00 1.21 -0.09 -0.10 2.07 -1.65 -1.26 116.25 116.43 1ab3 h VAL 59 Ca 0.11 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ab3 h VAL 59 Cb 1.04 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ab3 h VAL 59 CO -0.00 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1ab3 n GLY 60 N -0.82 -0.55 1.24 2.17 0.00 0.15 -3.59 105.19 103.79 1ab3 n GLY 60 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1ab3 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ab3 n GLN 61 N -0.25 3.08 -0.01 1.61 1.13 -0.48 -3.64 117.38 118.84 1ab3 n GLN 61 Ca 0.05 -1.73 0.08 0.00 -1.94 0.00 0.00 57.00 53.46 1ab3 n GLN 61 Cb 0.09 -1.88 -0.11 0.00 0.11 0.00 0.00 30.24 28.45 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ab3 n ARG 62 N 0.37 0.90 0.18 -1.09 0.63 -1.24 -4.32 116.66 112.10 1ab3 n ARG 62 Ca 0.15 -0.10 0.03 0.00 -0.92 0.00 0.00 57.85 57.01 1ab3 n ARG 62 Cb 0.75 -1.33 0.33 0.00 0.45 0.00 0.00 32.46 32.65 1ab3 n ARG 62 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ab3 h ARG 63 N 0.00 0.00 -0.56 -0.14 3.08 -1.85 -2.92 114.38 111.98 1ab3 h ARG 63 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1ab3 h ARG 63 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1ab3 h ARG 63 CO 0.00 0.42 -0.05 0.00 -1.07 0.00 0.00 179.97 179.27 1ab3 h ARG 64 N 0.00 1.02 0.00 0.04 2.47 -1.81 -2.43 114.38 113.67 1ab3 h ARG 64 Ca -0.00 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1ab3 h ARG 64 Cb 0.84 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1ab3 h ARG 64 CO 0.05 1.03 0.00 -0.11 0.56 0.00 0.00 179.97 181.51 1ab3 n LEU 65 N -4.16 0.00 0.32 3.04 0.00 -1.10 0.46 117.00 115.56 1ab3 n LEU 65 Ca 0.02 0.61 0.18 0.00 0.00 0.00 0.00 56.01 56.82 1ab3 n LEU 65 Cb 0.37 -0.11 0.95 0.00 0.00 0.00 0.00 43.42 44.63 1ab3 n LEU 65 CO 0.45 -0.11 1.12 0.25 0.00 0.00 0.00 177.39 179.10 1ab3 h LEU 66 N 0.00 0.00 -2.42 -1.96 6.46 -1.71 0.13 115.31 115.81 1ab3 h LEU 66 Ca 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1ab3 h LEU 66 Cb 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 1ab3 h LEU 66 CO 0.00 0.00 0.11 -1.14 -0.62 0.00 0.00 178.44 176.79 1ab3 n ARG 67 N -2.90 2.27 0.00 1.25 0.63 0.17 -3.55 116.66 114.54 1ab3 n ARG 67 Ca -0.02 -1.37 0.00 0.00 -0.92 0.00 0.00 57.85 55.54 1ab3 n ARG 67 Cb 0.24 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1ab3 n TYR 68 N 0.08 -0.94 0.43 -0.14 4.19 0.42 -4.82 117.16 116.38 1ab3 n TYR 68 Ca 0.18 0.00 -0.18 0.00 3.31 0.00 0.00 57.90 61.20 1ab3 n TYR 68 Cb 0.81 0.32 -0.09 0.00 0.49 0.00 0.00 39.34 40.87 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1ab3 h LEU 69 N 0.00 -0.92 -1.93 2.98 7.12 -1.68 -0.84 115.31 120.03 1ab3 h LEU 69 Ca 0.00 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.13 1ab3 h LEU 69 Cb 0.00 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 1ab3 h LEU 69 CO 0.00 -0.62 0.45 -0.61 -0.13 0.00 0.00 178.44 177.52 1ab3 h GLN 70 N -1.16 0.00 -0.01 1.25 -0.00 -1.69 0.21 115.11 113.71 1ab3 h GLN 70 Ca -0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.27 1ab3 h GLN 70 Cb 0.85 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.35 1ab3 h GLN 70 CO 0.18 0.00 -1.02 0.00 0.00 0.00 0.00 178.83 177.99 1ab3 h ARG 71 N 0.00 0.72 -0.72 1.69 2.47 -1.31 -3.09 114.38 114.13 1ab3 h ARG 71 Ca 0.15 -0.75 0.00 0.00 -1.26 0.00 0.00 59.98 58.12 1ab3 h ARG 71 Cb 1.05 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1ab3 h ARG 71 CO -0.00 1.33 0.00 0.39 0.56 0.00 0.00 179.97 182.25 1ab3 n GLU 72 N -3.86 2.59 0.00 0.04 1.02 0.66 -4.73 120.64 116.36 1ab3 n GLU 72 Ca -0.11 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1ab3 n GLU 72 Cb 0.87 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ab3 n ASP 73 N 0.32 0.00 0.14 1.62 8.00 -0.82 -4.99 116.55 120.83 1ab3 n ASP 73 Ca 0.12 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.64 1ab3 n ASP 73 Cb 0.61 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.86 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ab3 h PRO 74 N 0.00 0.00 0.00 -0.24 0.13 -1.82 -3.05 132.00 127.02 1ab3 h PRO 74 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1ab3 h PRO 74 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1ab3 h PRO 74 CO 0.00 0.56 -0.83 0.93 -0.23 0.00 0.00 178.00 178.44 1ab3 h GLU 75 N 0.00 0.56 0.00 0.86 4.39 -1.95 -2.76 114.58 115.68 1ab3 h GLU 75 Ca -0.01 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.09 1ab3 h GLU 75 Cb 1.20 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1ab3 h GLU 75 CO 0.07 1.22 0.00 0.00 -1.16 0.00 0.00 179.01 179.14 1ab3 h ARG 76 N 0.14 0.00 -1.48 2.33 3.08 -1.89 -1.98 114.38 114.57 1ab3 h ARG 76 Ca -0.10 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 1ab3 h ARG 76 Cb 1.51 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.48 1ab3 h ARG 76 CO 0.16 0.00 0.23 0.98 -1.07 0.00 0.00 179.97 180.27 1ab3 n TYR 77 N -2.47 0.89 -2.37 3.04 9.36 -1.04 -3.76 117.16 120.81 1ab3 n TYR 77 Ca -0.02 -1.34 0.01 0.00 3.32 0.00 0.00 57.90 59.87 1ab3 n TYR 77 Cb 0.04 -0.66 -0.00 0.00 -0.63 0.00 0.00 39.34 38.09 1ab3 n TYR 77 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1ab3 n ARG 78 N 0.57 0.04 0.10 2.98 1.85 -0.75 -4.83 116.66 116.62 1ab3 n ARG 78 Ca 0.17 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.28 1ab3 n ARG 78 Cb 0.64 0.11 0.00 0.00 -1.05 0.00 0.00 32.46 32.16 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ab3 n ALA 79 N 0.33 3.00 1.51 2.89 0.00 -1.25 -4.76 120.51 122.23 1ab3 n ALA 79 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1ab3 n ALA 79 Cb 1.02 0.08 0.63 0.00 0.00 0.00 0.00 19.45 21.17 1ab3 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ab3 n LEU 80 N -3.40 0.00 0.09 0.00 4.32 -1.26 -2.67 117.00 114.09 1ab3 n LEU 80 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 1ab3 n LEU 80 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1ab3 n LEU 80 CO 0.00 0.00 -0.01 0.16 -1.22 0.00 0.00 177.39 176.32 1ab3 h ILE 81 N 0.00 1.39 0.00 -0.08 -0.00 -1.88 -2.95 117.51 113.99 1ab3 h ILE 81 Ca 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 64.86 62.18 1ab3 h ILE 81 Cb 0.00 2.73 0.00 0.00 -0.00 0.00 0.00 36.82 39.55 1ab3 h ILE 81 CO 0.00 0.80 -0.53 -0.62 -0.00 0.00 0.00 178.15 177.80 1ab3 n GLU 82 N -3.69 0.10 -0.65 0.16 1.02 -1.09 -3.53 120.64 112.96 1ab3 n GLU 82 Ca -0.10 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.14 1ab3 n GLU 82 Cb 0.97 -1.56 0.32 0.00 -0.02 0.00 0.00 31.44 31.15 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ab3 n LYS 83 N -1.70 3.70 0.00 3.49 5.02 -1.17 -4.81 118.16 122.69 1ab3 n LYS 83 Ca 0.05 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1ab3 n LYS 83 Cb 0.37 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 1ab3 n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ab3 n LEU 84 N -0.08 0.00 0.00 -0.35 4.77 -1.12 -4.99 117.00 115.23 1ab3 n LEU 84 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ab3 n LEU 84 Cb 1.03 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1ab3 n LEU 84 CO 0.23 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1ab3 n GLY 85 N 0.65 -1.13 0.00 -0.72 0.00 -1.23 -5.04 105.19 97.72 1ab3 n GLY 85 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ab3 n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab3 n ILE 86 N 0.00 0.00 0.00 -0.61 0.13 -1.23 -5.10 119.36 112.55 1ab3 n ILE 86 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1ab3 n ILE 86 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1ab3 n ILE 86 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ab3 n ARG 87 N 0.00 0.00 0.00 9.51 1.74 -1.26 -5.15 116.66 121.50 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52