#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 -3.04 4.25 -0.00 -1.26 -4.92 119.36 114.38 1ab3 n ILE 2 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.50 1ab3 n ILE 2 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 39.64 39.44 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 -3.33 0.00 0.13 1.39 5.66 -1.26 -4.92 114.28 111.94 1ab3 n THR 3 Ca -0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1ab3 n THR 3 Cb 0.63 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.39 1ab3 n THR 3 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1ab3 h LYS 4 N 0.00 -0.32 -0.71 1.09 1.57 -2.02 -3.11 116.57 113.08 1ab3 h LYS 4 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ab3 h LYS 4 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ab3 h LYS 4 CO 0.00 -0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.06 1ab3 n GLU 5 N -2.98 2.28 -0.02 3.15 1.02 -1.26 -3.63 120.64 119.21 1ab3 n GLU 5 Ca -0.04 -1.15 0.13 0.00 -0.02 0.00 0.00 57.16 56.08 1ab3 n GLU 5 Cb 0.13 -1.65 0.49 0.00 -0.02 0.00 0.00 31.44 30.38 1ab3 n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ab3 n GLU 6 N 0.26 1.69 0.00 3.49 -0.58 -1.18 -3.95 120.64 120.38 1ab3 n GLU 6 Ca 0.10 -1.01 0.00 0.00 -0.42 0.00 0.00 57.16 55.83 1ab3 n GLU 6 Cb 0.52 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1ab3 n GLU 6 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ab3 n LYS 7 N 0.23 0.00 -0.42 3.49 5.02 -1.24 -4.66 118.16 120.58 1ab3 n LYS 7 Ca 0.18 -0.21 0.39 0.00 -2.02 0.00 0.00 58.31 56.65 1ab3 n LYS 7 Cb 0.36 -0.36 0.74 0.00 -0.02 0.00 0.00 35.03 35.74 1ab3 n LYS 7 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1ab3 h GLN 8 N 0.00 0.04 0.00 1.97 3.07 -1.69 -3.33 115.11 115.17 1ab3 h GLN 8 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ab3 h GLN 8 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.35 1ab3 h GLN 8 CO 0.00 0.03 0.00 0.36 0.09 0.00 0.00 178.83 179.31 1ab3 n LYS 9 N -4.20 0.00 -0.06 0.06 2.85 -1.26 -4.99 118.16 110.56 1ab3 n LYS 9 Ca 0.31 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.50 1ab3 n LYS 9 Cb 1.42 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 35.74 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ab3 h VAL 10 N 0.00 0.73 -0.07 0.58 2.07 -1.83 -3.31 116.25 114.41 1ab3 h VAL 10 Ca 0.00 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 1ab3 h VAL 10 Cb 0.00 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1ab3 h VAL 10 CO 0.00 0.25 -0.31 0.16 0.02 0.00 0.00 177.57 177.69 1ab3 h ILE 11 N -1.00 1.43 -1.35 4.57 -2.65 -1.87 -1.40 117.51 115.24 1ab3 h ILE 11 Ca -0.02 -1.72 0.45 0.00 1.03 0.00 0.00 64.86 64.61 1ab3 h ILE 11 Cb 0.48 2.33 -0.12 0.00 -2.05 0.00 0.00 36.82 37.46 1ab3 h ILE 11 CO -0.01 0.49 0.89 0.00 0.03 0.00 0.00 178.15 179.55 1ab3 n GLN 12 N -4.44 -0.03 -0.01 0.16 1.13 -1.25 0.29 117.38 113.23 1ab3 n GLN 12 Ca -0.08 1.13 -0.19 0.00 -1.94 0.00 0.00 57.00 55.92 1ab3 n GLN 12 Cb 0.49 -2.28 -0.14 0.00 0.11 0.00 0.00 30.24 28.43 1ab3 n GLN 12 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ab3 n GLU 13 N -4.43 0.73 -0.01 -1.09 1.02 -1.16 -4.65 120.64 111.05 1ab3 n GLU 13 Ca 0.38 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.77 1ab3 n GLU 13 Cb 1.50 -1.71 -0.00 0.00 -0.02 0.00 0.00 31.44 31.21 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1ab3 h PHE 14 N 0.05 0.00 -2.77 -0.32 0.04 0.48 -3.45 116.94 110.98 1ab3 h PHE 14 Ca -0.41 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.82 1ab3 h PHE 14 Cb 2.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.18 1ab3 h PHE 14 CO 0.06 0.00 0.95 0.00 -0.60 0.00 0.00 178.31 178.71 1ab3 s ALA 15 N -2.94 3.63 -0.32 2.45 0.00 0.82 -4.86 121.76 120.54 1ab3 s ALA 15 Ca -0.03 1.01 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1ab3 s ALA 15 Cb 0.00 -3.66 0.47 0.00 0.00 0.00 0.00 23.12 19.93 1ab3 s ALA 15 CO 0.04 -1.08 1.63 2.89 0.00 0.00 0.00 175.76 179.23 1ab3 n ARG 16 N 5.80 1.92 -3.69 0.00 0.00 -1.26 -3.95 116.66 115.48 1ab3 n ARG 16 Ca 0.15 -2.08 -0.02 0.00 -0.00 0.00 0.00 57.85 55.90 1ab3 n ARG 16 Cb 0.42 -1.82 -0.01 0.00 -0.00 0.00 0.00 32.46 31.05 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 -2.27 -0.11 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.37 1ab3 s PHE 17 Ca 0.39 -0.11 0.20 0.00 0.12 0.00 0.00 56.93 57.54 1ab3 s PHE 17 Cb 0.33 0.60 1.22 0.00 -0.57 0.00 0.00 43.02 44.60 1ab3 s PHE 17 CO 0.08 -0.60 1.64 -0.35 -0.10 0.00 0.00 175.22 175.88 1ab3 n PRO 18 N -0.45 0.73 0.00 0.24 -0.04 -1.26 -2.69 135.00 131.53 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 0.61 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.44 0.13 1.15 0.55 0.00 -1.26 -4.72 105.19 101.48 1ab3 n GLY 19 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.05 3.27 0.06 1.61 9.92 -1.10 -3.64 116.55 126.63 1ab3 n ASP 20 Ca 0.00 -2.41 0.05 0.00 -0.53 0.00 0.00 54.79 51.91 1ab3 n ASP 20 Cb 0.13 -0.54 -0.05 0.00 -0.64 0.00 0.00 41.12 40.02 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ab3 n THR 21 N 0.39 0.90 1.16 -3.53 -2.24 -1.26 -3.66 114.28 106.03 1ab3 n THR 21 Ca 0.14 -0.62 0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1ab3 n THR 21 Cb 0.68 -0.54 0.24 0.00 -2.10 0.00 0.00 70.33 68.61 1ab3 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ab3 n GLY 22 N 1.30 -0.42 1.30 3.38 0.00 -1.24 -4.40 105.19 105.11 1ab3 n GLY 22 Ca -0.05 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1ab3 n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ab3 n SER 23 N -0.48 -2.22 0.03 1.61 3.41 -1.24 -4.80 113.62 109.93 1ab3 n SER 23 Ca 0.11 -0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.33 1ab3 n SER 23 Cb 0.39 -0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ab3 h THR 24 N -2.27 0.98 0.34 6.66 2.02 -1.91 -3.25 112.91 115.49 1ab3 h THR 24 Ca -0.11 -2.71 -0.02 0.00 0.77 0.00 0.00 66.41 64.34 1ab3 h THR 24 Cb 0.37 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1ab3 h THR 24 CO 0.07 0.75 -0.16 -0.33 0.37 0.00 0.00 175.52 176.21 1ab3 h GLU 25 N 0.04 -0.44 -0.94 6.66 5.08 -1.91 0.66 114.58 123.74 1ab3 h GLU 25 Ca -0.28 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1ab3 h GLU 25 Cb 2.00 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 31.27 1ab3 h GLU 25 CO 0.12 -0.23 0.57 0.28 -1.00 0.00 0.00 179.01 178.75 1ab3 h VAL 26 N -0.56 0.91 0.00 3.13 2.07 -1.81 0.19 116.25 120.17 1ab3 h VAL 26 Ca -0.05 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1ab3 h VAL 26 Cb 0.42 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1ab3 h VAL 26 CO 0.08 0.17 -0.31 1.56 0.02 0.00 0.00 177.57 179.08 1ab3 h GLN 27 N 0.91 0.00 -0.29 1.57 4.20 -1.52 -2.43 115.11 117.56 1ab3 h GLN 27 Ca 0.47 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.12 1ab3 h GLN 27 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1ab3 h GLN 27 CO -0.27 0.31 -0.06 0.28 -0.67 0.00 0.00 178.83 178.43 1ab3 h VAL 28 N 0.00 1.20 -0.17 -0.54 2.07 0.18 0.77 116.25 119.75 1ab3 h VAL 28 Ca -0.00 -0.84 -0.21 0.00 0.82 0.00 0.00 66.70 66.47 1ab3 h VAL 28 Cb 0.85 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1ab3 h VAL 28 CO 0.04 0.28 -0.72 0.00 0.02 0.00 0.00 177.57 177.19 1ab3 h ALA 29 N 1.52 0.32 0.00 1.67 0.00 -1.01 -2.57 119.26 119.18 1ab3 h ALA 29 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ab3 h ALA 29 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ab3 h ALA 29 CO 0.02 0.65 0.00 1.47 0.00 0.00 0.00 179.25 181.39 1ab3 n LEU 30 N -3.98 0.00 0.13 0.00 -0.00 -0.81 -2.65 117.00 109.69 1ab3 n LEU 30 Ca -0.07 0.37 -0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1ab3 n LEU 30 Cb 0.72 -0.37 0.06 0.00 -0.00 0.00 0.00 43.42 43.83 1ab3 n LEU 30 CO 0.52 -0.04 0.42 0.17 -0.00 0.00 0.00 177.39 178.46 1ab3 h LEU 31 N 0.00 0.00 0.04 1.47 8.10 0.95 -3.10 115.31 122.77 1ab3 h LEU 31 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 1ab3 h LEU 31 Cb 0.33 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1ab3 h LEU 31 CO 0.00 0.63 -0.46 0.00 -4.11 0.00 0.00 178.44 174.50 1ab3 h THR 32 N 0.00 1.54 0.28 0.15 1.03 -1.46 -3.18 112.91 111.27 1ab3 h THR 32 Ca -0.01 -2.19 0.00 0.00 -0.01 0.00 0.00 66.41 64.20 1ab3 h THR 32 Cb 1.37 2.92 -0.02 0.00 -1.07 0.00 0.00 68.15 71.35 1ab3 h THR 32 CO 0.08 0.61 -0.28 0.25 -0.01 0.00 0.00 175.52 176.17 1ab3 h LEU 33 N -0.43 -0.76 -1.69 0.00 5.85 -1.62 0.05 115.31 116.71 1ab3 h LEU 33 Ca -0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ab3 h LEU 33 Cb 1.26 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1ab3 h LEU 33 CO 0.09 -0.41 0.14 -0.09 -0.34 0.00 0.00 178.44 177.83 1ab3 h ARG 34 N -0.60 0.00 0.00 1.25 2.43 -1.67 -1.80 114.38 113.99 1ab3 h ARG 34 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1ab3 h ARG 34 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1ab3 h ARG 34 CO -0.06 0.00 -0.27 0.82 -1.51 0.00 0.00 179.97 178.95 1ab3 h ILE 35 N 0.00 0.92 -0.55 1.20 5.03 -0.99 -3.01 117.51 120.10 1ab3 h ILE 35 Ca 0.00 -1.77 0.02 0.00 -0.12 0.00 0.00 64.86 62.99 1ab3 h ILE 35 Cb 0.27 1.82 -0.03 0.00 -3.03 0.00 0.00 36.82 35.85 1ab3 h ILE 35 CO 0.00 0.31 0.34 0.78 -0.68 0.00 0.00 178.15 178.91 1ab3 h ASN 36 N -1.00 0.57 -0.13 1.72 2.35 -0.65 -0.86 115.58 117.59 1ab3 h ASN 36 Ca -0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ab3 h ASN 36 Cb 0.70 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1ab3 h ASN 36 CO -0.04 0.41 0.00 -1.14 -1.65 0.00 0.00 177.43 175.01 1ab3 n ARG 37 N -4.75 1.31 -0.02 0.81 0.63 -0.74 -3.34 116.66 110.56 1ab3 n ARG 37 Ca 0.04 -0.46 -0.14 0.00 -0.92 0.00 0.00 57.85 56.37 1ab3 n ARG 37 Cb 0.06 -1.12 -0.14 0.00 0.45 0.00 0.00 32.46 31.71 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1ab3 n LEU 38 N -0.12 1.59 -0.15 6.15 7.94 -0.33 -3.46 117.00 128.61 1ab3 n LEU 38 Ca 0.04 0.28 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 1ab3 n LEU 38 Cb 0.12 -0.35 -0.01 0.00 0.53 0.00 0.00 43.42 43.71 1ab3 n LEU 38 CO 0.03 0.60 0.65 -1.28 -1.11 0.00 0.00 177.39 176.28 1ab3 h SER 39 N 0.03 0.99 -0.34 1.96 0.87 -1.55 -2.61 113.55 112.90 1ab3 h SER 39 Ca -0.37 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 59.76 1ab3 h SER 39 Cb 2.03 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.71 1ab3 h SER 39 CO 0.07 1.18 0.02 -0.62 -0.53 0.00 0.00 176.83 176.95 1ab3 n GLU 40 N -4.13 3.11 0.00 2.24 1.02 -1.26 -4.04 120.64 117.59 1ab3 n GLU 40 Ca -0.01 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1ab3 n GLU 40 Cb 0.47 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ab3 n HIS 41 N 0.30 0.00 0.80 -0.32 8.25 -0.98 -4.23 115.22 119.04 1ab3 n HIS 41 Ca 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.70 1ab3 n HIS 41 Cb 0.81 -0.12 0.41 0.00 1.12 0.00 0.00 29.99 32.21 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ab3 n LEU 42 N -1.19 0.00 -0.85 2.41 4.77 -1.26 -1.70 117.00 119.18 1ab3 n LEU 42 Ca 0.00 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1ab3 n LEU 42 Cb 0.00 -0.20 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1ab3 n LEU 42 CO 0.00 -0.10 0.46 0.29 -1.33 0.00 0.00 177.39 176.71 1ab3 n LYS 43 N -1.20 2.09 0.00 3.23 4.76 -1.26 -4.08 118.16 121.71 1ab3 n LYS 43 Ca 0.09 -0.94 0.00 0.00 -2.87 0.00 0.00 58.31 54.58 1ab3 n LYS 43 Cb 0.10 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 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 0.19 0.00 -1.08 -0.18 0.31 -1.06 -5.03 118.33 111.48 1ab3 n VAL 44 Ca 0.08 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.06 1ab3 n VAL 44 Cb 0.49 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.48 1ab3 n VAL 44 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ab3 n HIS 45 N -1.50 -2.39 -0.97 3.52 8.25 -0.69 -4.77 115.22 116.68 1ab3 n HIS 45 Ca 0.00 0.24 -0.14 0.00 -0.26 0.00 0.00 57.72 57.56 1ab3 n HIS 45 Cb 0.00 -1.73 -0.05 0.00 1.12 0.00 0.00 29.99 29.33 1ab3 n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ab3 n LYS 46 N 0.19 1.80 -1.32 -0.41 5.02 -1.26 -4.67 118.16 117.52 1ab3 n LYS 46 Ca 0.06 -1.20 -0.12 0.00 -2.02 0.00 0.00 58.31 55.03 1ab3 n LYS 46 Cb 0.52 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.38 -1.65 0.13 1.97 5.02 -1.26 -4.85 118.16 118.90 1ab3 n LYS 47 Ca 0.31 0.88 -0.08 0.00 -2.02 0.00 0.00 58.31 57.40 1ab3 n LYS 47 Cb 0.65 -5.24 -0.04 0.00 -0.02 0.00 0.00 35.03 30.38 1ab3 n LYS 47 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ab3 h ASP 48 N 0.00 -0.59 -4.15 4.39 5.19 -1.98 -3.48 116.42 115.79 1ab3 h ASP 48 Ca -0.24 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.22 1ab3 h ASP 48 Cb 1.13 0.19 -0.08 0.00 0.18 0.00 0.00 39.33 40.76 1ab3 h ASP 48 CO 0.36 -0.29 -0.94 1.57 -3.12 0.00 0.00 179.24 176.82 1ab3 n HIS 49 N -3.64 -2.66 -2.15 4.55 -0.00 -1.26 -5.00 115.22 105.06 1ab3 n HIS 49 Ca -0.05 1.55 0.01 0.00 0.46 0.00 0.00 57.72 59.69 1ab3 n HIS 49 Cb 0.20 -2.94 0.01 0.00 -0.12 0.00 0.00 29.99 27.14 1ab3 n HIS 49 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1ab3 n HIS 50 N 1.00 0.00 -3.63 1.57 8.25 -1.26 -5.09 115.22 116.07 1ab3 n HIS 50 Ca -0.25 -0.16 -0.03 0.00 -0.26 0.00 0.00 57.72 57.02 1ab3 n HIS 50 Cb 0.38 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ab3 s SER 51 N -1.29 -0.07 0.00 0.41 1.04 -1.26 -5.07 113.70 107.46 1ab3 s SER 51 Ca 0.11 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1ab3 s SER 51 Cb 0.12 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ab3 s SER 51 CO -0.05 -0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.06 1ab3 n HIS 52 N 0.11 0.00 -0.07 5.02 1.44 -1.26 -4.95 115.22 115.51 1ab3 n HIS 52 Ca 0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.64 1ab3 n HIS 52 Cb 0.58 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.76 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 0.00 0.75 0.00 -1.40 2.47 -2.05 -3.27 114.38 110.88 1ab3 h ARG 53 Ca 0.00 -0.34 -0.06 0.00 -1.26 0.00 0.00 59.98 58.32 1ab3 h ARG 53 Cb 0.00 -0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.18 1ab3 h ARG 53 CO 0.00 0.95 -0.67 0.41 0.56 0.00 0.00 179.97 181.23 1ab3 n GLY 54 N -0.11 3.74 0.00 0.04 0.00 -1.26 -4.83 105.19 102.77 1ab3 n GLY 54 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.58 0.00 -0.49 0.99 0.00 -1.24 -4.01 117.00 111.68 1ab3 n LEU 55 Ca 0.14 0.00 0.43 0.00 0.00 0.00 0.00 56.01 56.58 1ab3 n LEU 55 Cb 0.84 0.00 0.70 0.00 0.00 0.00 0.00 43.42 44.96 1ab3 n LEU 55 CO -0.04 -0.38 1.39 -0.07 0.00 0.00 0.00 177.39 178.29 1ab3 h LEU 56 N 0.00 0.00 -0.55 -1.96 3.38 -1.93 -0.54 115.31 113.71 1ab3 h LEU 56 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1ab3 h LEU 56 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1ab3 h LEU 56 CO 0.00 0.00 -0.51 0.24 0.09 0.00 0.00 178.44 178.26 1ab3 h MET 57 N 0.00 -0.22 -0.75 1.13 2.86 -1.93 0.29 114.93 116.31 1ab3 h MET 57 Ca 0.74 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.39 1ab3 h MET 57 Cb 3.25 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 34.92 1ab3 h MET 57 CO -0.01 -0.15 0.46 0.00 1.06 0.00 0.00 176.91 178.27 1ab3 h MET 58 N -0.23 1.00 -1.12 1.72 -0.00 -1.22 -1.28 114.93 113.79 1ab3 h MET 58 Ca 0.09 -0.08 0.32 0.00 -0.00 0.00 0.00 59.70 60.03 1ab3 h MET 58 Cb 0.48 -0.22 -0.05 0.00 -0.00 0.00 0.00 31.60 31.81 1ab3 h MET 58 CO -0.64 0.69 0.80 0.28 -0.00 0.00 0.00 176.91 178.04 1ab3 h VAL 59 N 1.02 0.44 -1.31 -0.10 2.07 -0.46 0.40 116.25 118.31 1ab3 h VAL 59 Ca 0.27 -0.01 -0.59 0.00 0.82 0.00 0.00 66.70 67.19 1ab3 h VAL 59 Cb -0.06 0.41 -0.20 0.00 -1.52 0.00 0.00 31.29 29.92 1ab3 h VAL 59 CO -0.05 0.01 0.72 0.61 0.02 0.00 0.00 177.57 178.87 1ab3 n GLY 60 N -1.73 4.72 0.74 2.17 0.00 -0.48 -3.97 105.19 106.64 1ab3 n GLY 60 Ca 0.24 -2.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 0.61 0.00 -0.00 1.61 6.02 0.13 -4.89 117.38 120.86 1ab3 n GLN 61 Ca 0.51 -0.53 0.03 0.00 -0.01 0.00 0.00 57.00 57.00 1ab3 n GLN 61 Cb 0.45 0.19 -0.04 0.00 1.02 0.00 0.00 30.24 31.86 1ab3 n GLN 61 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ab3 n ARG 62 N 0.02 3.67 0.02 -1.09 0.63 -1.25 -3.41 116.66 115.24 1ab3 n ARG 62 Ca -0.11 -0.02 0.09 0.00 -0.92 0.00 0.00 57.85 56.89 1ab3 n ARG 62 Cb 0.61 -0.88 0.51 0.00 0.45 0.00 0.00 32.46 33.16 1ab3 n ARG 62 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ab3 h ARG 63 N 0.00 0.35 0.00 -0.14 2.43 -1.90 -3.28 114.38 111.84 1ab3 h ARG 63 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ab3 h ARG 63 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ab3 h ARG 63 CO 0.00 0.23 -0.26 0.54 -1.51 0.00 0.00 179.97 178.97 1ab3 n ARG 64 N -4.48 0.00 -2.24 0.20 5.12 -1.26 -4.89 116.66 109.11 1ab3 n ARG 64 Ca 0.05 -0.54 -0.00 0.00 -1.93 0.00 0.00 57.85 55.42 1ab3 n ARG 64 Cb 0.22 -0.28 0.04 0.00 -1.16 0.00 0.00 32.46 31.29 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ab3 n LEU 65 N 0.00 0.40 -0.22 0.55 4.32 -1.22 -4.78 117.00 116.06 1ab3 n LEU 65 Ca 0.00 -2.69 -0.04 0.00 -0.02 0.00 0.00 56.01 53.26 1ab3 n LEU 65 Cb 0.61 0.21 0.02 0.00 -1.62 0.00 0.00 43.42 42.64 1ab3 n LEU 65 CO 0.00 1.12 0.64 0.25 -1.22 0.00 0.00 177.39 178.18 1ab3 h LEU 66 N 1.51 -1.11 0.00 2.23 6.46 -1.63 -1.70 115.31 121.07 1ab3 h LEU 66 Ca -0.29 0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1ab3 h LEU 66 Cb 1.45 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 41.94 1ab3 h LEU 66 CO 0.01 -0.30 -1.98 -1.14 -0.62 0.00 0.00 178.44 174.42 1ab3 n ARG 67 N -5.44 0.66 -0.74 1.25 0.63 -1.26 -4.88 116.66 106.89 1ab3 n ARG 67 Ca 0.05 -0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1ab3 n ARG 67 Cb 0.36 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.34 0.00 0.06 -0.14 9.36 -0.64 -4.76 117.16 118.69 1ab3 n TYR 68 Ca -0.07 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.19 1ab3 n TYR 68 Cb 0.64 -0.83 -0.05 0.00 -0.63 0.00 0.00 39.34 38.46 1ab3 n TYR 68 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1ab3 n LEU 69 N 0.00 0.86 0.16 2.98 -0.00 -1.26 -3.76 117.00 115.98 1ab3 n LEU 69 Ca 0.00 0.36 0.15 0.00 -0.00 0.00 0.00 56.01 56.53 1ab3 n LEU 69 Cb 0.01 0.03 0.74 0.00 -0.00 0.00 0.00 43.42 44.20 1ab3 n LEU 69 CO 0.00 0.03 1.14 0.06 -0.00 0.00 0.00 177.39 178.61 1ab3 h GLN 70 N 0.00 0.00 -0.08 1.96 -0.00 -1.86 0.12 115.11 115.26 1ab3 h GLN 70 Ca -0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.39 1ab3 h GLN 70 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.85 1ab3 h GLN 70 CO 0.03 0.00 -0.62 0.07 -0.00 0.00 0.00 178.83 178.31 1ab3 h ARG 71 N 0.00 0.28 -0.65 0.06 -0.00 -1.89 -2.55 114.38 109.62 1ab3 h ARG 71 Ca 0.11 -0.19 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 1ab3 h ARG 71 Cb 0.48 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.49 1ab3 h ARG 71 CO -0.00 0.81 0.00 0.39 -0.00 0.00 0.00 179.97 181.17 1ab3 n GLU 72 N -3.87 3.07 0.00 0.08 1.02 0.36 -4.75 120.64 116.55 1ab3 n GLU 72 Ca -0.03 -1.94 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 1ab3 n GLU 72 Cb 0.63 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.57 0.00 0.13 1.62 9.92 -0.77 -5.00 116.55 123.02 1ab3 n ASP 73 Ca 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1ab3 n ASP 73 Cb 0.71 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 41.32 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1ab3 h PRO 74 N 0.00 0.00 -0.01 -0.24 0.13 -1.78 -2.94 132.00 127.15 1ab3 h PRO 74 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1ab3 h PRO 74 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1ab3 h PRO 74 CO 0.00 0.62 -0.31 1.49 -0.23 0.00 0.00 178.00 179.56 1ab3 h GLU 75 N 0.00 0.23 0.00 0.86 4.57 -1.95 -2.81 114.58 115.48 1ab3 h GLU 75 Ca -0.01 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1ab3 h GLU 75 Cb 1.24 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1ab3 h GLU 75 CO 0.08 0.94 0.04 0.00 -1.18 0.00 0.00 179.01 178.89 1ab3 h ARG 76 N -0.38 0.00 -1.90 1.92 3.08 -1.91 -2.49 114.38 112.69 1ab3 h ARG 76 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1ab3 h ARG 76 Cb 1.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1ab3 h ARG 76 CO 0.06 0.00 0.03 0.98 -1.07 0.00 0.00 179.97 179.97 1ab3 n TYR 77 N -2.51 0.42 -2.13 3.04 9.36 -1.06 -3.69 117.16 120.59 1ab3 n TYR 77 Ca -0.02 -1.37 0.01 0.00 3.32 0.00 0.00 57.90 59.84 1ab3 n TYR 77 Cb 0.08 -0.88 0.00 0.00 -0.63 0.00 0.00 39.34 37.91 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 1.43 0.00 0.08 2.98 1.85 -0.94 -4.82 116.66 117.25 1ab3 n ARG 78 Ca 0.18 -1.16 0.00 0.00 -1.00 0.00 0.00 57.85 55.88 1ab3 n ARG 78 Cb 0.61 -0.26 0.00 0.00 -1.05 0.00 0.00 32.46 31.75 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 0.13 3.00 0.97 2.89 0.00 -1.24 -4.75 120.51 121.50 1ab3 n ALA 79 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1ab3 n ALA 79 Cb 0.80 0.09 0.49 0.00 0.00 0.00 0.00 19.45 20.82 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 -3.20 0.00 0.08 0.00 4.32 -1.26 -1.94 117.00 115.00 1ab3 n LEU 80 Ca 0.00 0.16 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 1ab3 n LEU 80 Cb 0.05 -0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 41.66 1ab3 n LEU 80 CO 0.00 -0.07 0.22 0.16 -1.22 0.00 0.00 177.39 176.48 1ab3 h ILE 81 N 0.00 1.48 -0.01 -0.08 -0.00 -1.87 -2.93 117.51 114.10 1ab3 h ILE 81 Ca 0.00 -2.63 0.00 0.00 -0.00 0.00 0.00 64.86 62.23 1ab3 h ILE 81 Cb 0.09 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 39.40 1ab3 h ILE 81 CO 0.00 0.77 -0.17 -0.62 -0.00 0.00 0.00 178.15 178.13 1ab3 n GLU 82 N -3.66 1.14 -0.81 0.16 -0.58 -0.82 -3.86 120.64 112.22 1ab3 n GLU 82 Ca -0.04 -0.68 0.04 0.00 -0.42 0.00 0.00 57.16 56.06 1ab3 n GLU 82 Cb 0.83 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 30.38 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ab3 n LYS 83 N -0.34 1.45 0.09 3.49 5.02 -1.13 -4.88 118.16 121.86 1ab3 n LYS 83 Ca 0.14 -3.16 0.00 0.00 -2.02 0.00 0.00 58.31 53.27 1ab3 n LYS 83 Cb 0.36 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.87 -0.72 0.00 -0.35 4.77 -1.12 -4.98 117.00 113.73 1ab3 n LEU 84 Ca 0.18 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1ab3 n LEU 84 Cb 0.77 0.83 0.00 0.00 -2.33 0.00 0.00 43.42 42.69 1ab3 n LEU 84 CO -0.02 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 1ab3 n GLY 85 N 0.59 -0.04 0.00 -0.72 0.00 -1.26 -5.09 105.19 98.67 1ab3 n GLY 85 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.25 -5.03 119.36 112.60 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 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 38.52 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 -0.45 0.00 0.00 9.51 1.74 -1.26 -5.09 116.66 121.10 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