#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 -2.69 0.52 -5.35 -1.26 -5.02 119.36 105.56 1ab3 n ILE 2 Ca 0.00 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1ab3 n ILE 2 Cb 0.00 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.02 1ab3 n ILE 2 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1ab3 n THR 3 N -5.15 0.00 0.00 7.28 5.66 -1.26 -4.94 114.28 115.87 1ab3 n THR 3 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1ab3 n THR 3 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1ab3 n THR 3 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ab3 n LYS 4 N 0.00 0.00 -0.41 1.09 5.02 -1.26 -2.37 118.16 120.23 1ab3 n LYS 4 Ca 0.00 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 1ab3 n LYS 4 Cb 0.00 -0.55 0.20 0.00 -0.02 0.00 0.00 35.03 34.66 1ab3 n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ab3 n GLU 5 N -0.09 2.79 -0.06 1.97 1.02 -1.26 -3.28 120.64 121.73 1ab3 n GLU 5 Ca 0.00 -1.56 0.08 0.00 -0.02 0.00 0.00 57.16 55.66 1ab3 n GLU 5 Cb 0.00 -1.78 0.35 0.00 -0.02 0.00 0.00 31.44 29.99 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 0.37 1.43 0.00 3.49 1.02 -1.00 -4.25 120.64 121.70 1ab3 n GLU 6 Ca 0.14 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1ab3 n GLU 6 Cb 0.66 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1ab3 n GLU 6 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1ab3 n LYS 7 N -0.09 0.00 0.31 3.49 -0.00 -1.24 -4.30 118.16 116.33 1ab3 n LYS 7 Ca 0.13 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.60 1ab3 n LYS 7 Cb 0.20 -0.04 0.81 0.00 -0.00 0.00 0.00 35.03 36.00 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 0.00 0.00 -1.58 4.20 -1.73 -1.13 115.11 114.87 1ab3 h GLN 8 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ab3 h GLN 8 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ab3 h GLN 8 CO 0.00 0.00 -0.02 1.63 -0.67 0.00 0.00 178.83 179.77 1ab3 n LYS 9 N -2.98 5.44 0.24 1.46 5.02 -1.26 -4.40 118.16 121.68 1ab3 n LYS 9 Ca -0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 1ab3 n LYS 9 Cb 0.40 -0.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ab3 h VAL 10 N 0.00 0.00 -0.09 -0.18 2.07 -1.45 -3.07 116.25 113.53 1ab3 h VAL 10 Ca 0.00 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1ab3 h VAL 10 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ab3 h VAL 10 CO 0.00 0.00 -0.28 0.16 0.02 0.00 0.00 177.57 177.47 1ab3 h ILE 11 N -1.04 1.41 -1.40 4.57 -2.65 -1.84 -1.41 117.51 115.14 1ab3 h ILE 11 Ca -0.07 -1.64 0.46 0.00 1.03 0.00 0.00 64.86 64.64 1ab3 h ILE 11 Cb 0.50 2.23 -0.11 0.00 -2.05 0.00 0.00 36.82 37.39 1ab3 h ILE 11 CO 0.11 0.47 0.94 1.67 0.03 0.00 0.00 178.15 181.37 1ab3 n GLN 12 N -4.45 -0.02 -0.01 0.16 7.27 -1.25 0.29 117.38 119.36 1ab3 n GLN 12 Ca -0.08 1.10 -0.20 0.00 0.07 0.00 0.00 57.00 57.89 1ab3 n GLN 12 Cb 0.47 -2.26 -0.14 0.00 2.41 0.00 0.00 30.24 30.73 1ab3 n GLN 12 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1ab3 n GLU 13 N -4.32 0.74 -0.01 3.69 1.02 -1.14 -4.65 120.64 115.97 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 1.54 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.06 0.00 -2.41 -0.32 0.04 0.50 -3.45 116.94 111.37 1ab3 h PHE 14 Ca -0.42 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.81 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 0.07 0.00 1.21 0.00 -0.60 0.00 0.00 178.31 178.99 1ab3 s ALA 15 N -2.95 3.56 -0.32 2.45 0.00 0.83 -4.83 121.76 120.50 1ab3 s ALA 15 Ca -0.02 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1ab3 s ALA 15 Cb 0.00 -3.83 0.43 0.00 0.00 0.00 0.00 23.12 19.72 1ab3 s ALA 15 CO 0.03 -1.58 1.66 2.89 0.00 0.00 0.00 175.76 178.76 1ab3 n ARG 16 N 7.50 1.87 -3.69 0.00 0.00 -1.26 -4.13 116.66 116.95 1ab3 n ARG 16 Ca 0.20 -2.04 -0.02 0.00 -0.00 0.00 0.00 57.85 55.98 1ab3 n ARG 16 Cb 0.42 -1.80 -0.01 0.00 -0.00 0.00 0.00 32.46 31.06 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 -2.26 -0.11 -2.00 2.89 0.08 -1.26 -4.94 117.98 110.39 1ab3 s PHE 17 Ca 0.39 -0.11 0.17 0.00 0.12 0.00 0.00 56.93 57.50 1ab3 s PHE 17 Cb 0.32 0.60 1.02 0.00 -0.57 0.00 0.00 43.02 44.39 1ab3 s PHE 17 CO 0.06 -0.61 1.48 -0.35 -0.10 0.00 0.00 175.22 175.71 1ab3 n PRO 18 N -0.46 0.73 0.00 0.24 -0.04 -1.26 -2.61 135.00 131.60 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 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.40 0.17 1.11 0.55 0.00 -1.26 -4.70 105.19 101.47 1ab3 n GLY 19 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1ab3 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ab3 n ASP 20 N -0.14 3.17 0.08 1.61 2.03 -1.07 -3.63 116.55 118.59 1ab3 n ASP 20 Ca 0.00 -2.37 0.07 0.00 0.52 0.00 0.00 54.79 53.00 1ab3 n ASP 20 Cb 0.09 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ab3 h THR 21 N 2.15 0.23 -0.30 5.18 1.03 -1.84 -3.30 112.91 116.06 1ab3 h THR 21 Ca 0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 66.41 64.96 1ab3 h THR 21 Cb 1.10 1.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.95 1ab3 h THR 21 CO 0.20 0.13 0.00 0.61 -0.01 0.00 0.00 175.52 176.45 1ab3 n GLY 22 N 1.27 1.65 0.00 2.99 0.00 -1.24 -4.64 105.19 105.21 1ab3 n GLY 22 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.89 0.00 -0.11 1.61 3.41 -1.24 -4.86 113.62 113.32 1ab3 n SER 23 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1ab3 n SER 23 Cb 0.45 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 1ab3 n SER 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ab3 n THR 24 N -0.82 1.41 0.08 6.66 -1.04 -1.26 -4.03 114.28 115.29 1ab3 n THR 24 Ca 0.00 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.05 61.09 1ab3 n THR 24 Cb 0.00 -0.67 -0.08 0.00 -1.82 0.00 0.00 70.33 67.75 1ab3 n THR 24 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ab3 h GLU 25 N 0.00 -0.23 -0.90 -2.82 4.39 -1.92 -1.34 114.58 111.76 1ab3 h GLU 25 Ca -0.56 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.31 1ab3 h GLU 25 Cb 2.17 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.80 1ab3 h GLU 25 CO 0.00 0.13 0.58 0.28 -1.16 0.00 0.00 179.01 178.84 1ab3 h VAL 26 N -0.63 0.81 -0.34 3.13 2.07 -1.82 0.13 116.25 119.61 1ab3 h VAL 26 Ca -0.02 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1ab3 h VAL 26 Cb 0.46 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ab3 h VAL 26 CO 0.04 0.12 -0.25 1.56 0.02 0.00 0.00 177.57 179.06 1ab3 h GLN 27 N 0.67 0.77 -1.08 1.57 4.20 -1.66 -2.30 115.11 117.28 1ab3 h GLN 27 Ca 0.46 -0.37 0.29 0.00 0.06 0.00 0.00 58.65 59.09 1ab3 h GLN 27 Cb 0.77 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1ab3 h GLN 27 CO -0.21 1.00 0.73 0.28 -0.67 0.00 0.00 178.83 179.96 1ab3 h VAL 28 N 0.55 0.48 -0.28 -0.54 2.07 0.21 0.93 116.25 119.67 1ab3 h VAL 28 Ca 0.07 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1ab3 h VAL 28 Cb 0.81 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1ab3 h VAL 28 CO 0.07 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.52 1ab3 h ALA 29 N 1.53 0.40 0.00 1.67 0.00 -1.09 -1.70 119.26 120.07 1ab3 h ALA 29 Ca 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ab3 h ALA 29 Cb 1.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1ab3 h ALA 29 CO -0.15 0.31 0.00 1.47 0.00 0.00 0.00 179.25 180.88 1ab3 n LEU 30 N -4.40 0.35 0.09 0.00 -0.00 0.29 -1.74 117.00 111.59 1ab3 n LEU 30 Ca -0.04 0.60 -0.04 0.00 -0.00 0.00 0.00 56.01 56.53 1ab3 n LEU 30 Cb 0.39 -0.56 0.16 0.00 -0.00 0.00 0.00 43.42 43.40 1ab3 n LEU 30 CO 0.42 -0.47 0.54 0.17 -0.00 0.00 0.00 177.39 178.05 1ab3 h LEU 31 N 0.00 0.27 -0.13 1.47 8.10 0.34 -2.98 115.31 122.38 1ab3 h LEU 31 Ca 0.00 -0.14 -0.11 0.00 0.11 0.00 0.00 57.88 57.74 1ab3 h LEU 31 Cb 0.26 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1ab3 h LEU 31 CO 0.00 0.75 -0.34 0.00 -4.11 0.00 0.00 178.44 174.73 1ab3 h THR 32 N 0.19 1.37 0.45 0.15 1.03 -1.31 -3.12 112.91 111.67 1ab3 h THR 32 Ca 0.00 -1.63 -0.01 0.00 -0.01 0.00 0.00 66.41 64.76 1ab3 h THR 32 Cb 1.00 2.07 -0.02 0.00 -1.07 0.00 0.00 68.15 70.12 1ab3 h THR 32 CO 0.08 0.49 -0.50 0.25 -0.01 0.00 0.00 175.52 175.83 1ab3 h LEU 33 N 0.07 -1.39 -1.60 0.00 5.85 -1.56 0.85 115.31 117.53 1ab3 h LEU 33 Ca -0.01 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1ab3 h LEU 33 Cb 0.96 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1ab3 h LEU 33 CO 0.07 -0.64 0.54 0.03 -0.34 0.00 0.00 178.44 178.10 1ab3 h ARG 34 N -0.96 0.00 0.07 1.25 -0.00 -1.62 0.20 114.38 113.32 1ab3 h ARG 34 Ca -0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.31 1ab3 h ARG 34 Cb 0.84 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.83 1ab3 h ARG 34 CO -0.09 0.00 -0.49 0.82 0.00 0.00 0.00 179.97 180.21 1ab3 h ILE 35 N 0.00 1.58 -0.59 2.04 5.03 -0.81 -3.17 117.51 121.60 1ab3 h ILE 35 Ca 0.08 -2.35 -0.02 0.00 -0.12 0.00 0.00 64.86 62.45 1ab3 h ILE 35 Cb 1.15 3.12 -0.03 0.00 -3.03 0.00 0.00 36.82 38.04 1ab3 h ILE 35 CO -0.00 0.65 0.27 0.78 -0.68 0.00 0.00 178.15 179.17 1ab3 h ASN 36 N -0.53 0.75 -0.14 1.72 -0.26 0.54 -1.02 115.58 116.65 1ab3 h ASN 36 Ca -0.08 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1ab3 h ASN 36 Cb 1.34 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 38.41 1ab3 h ASN 36 CO 0.09 0.65 0.00 0.54 -1.06 0.00 0.00 177.43 177.65 1ab3 n ARG 37 N -4.35 1.33 -0.03 0.81 1.74 -0.78 -3.30 116.66 112.07 1ab3 n ARG 37 Ca 0.05 -0.49 -0.10 0.00 -0.77 0.00 0.00 57.85 56.54 1ab3 n ARG 37 Cb 0.14 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 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 -0.09 0.91 0.02 0.55 0.00 -0.39 -3.82 117.00 114.19 1ab3 n LEU 38 Ca 0.05 0.34 -0.08 0.00 0.00 0.00 0.00 56.01 56.31 1ab3 n LEU 38 Cb 0.12 0.11 -0.13 0.00 0.00 0.00 0.00 43.42 43.52 1ab3 n LEU 38 CO 0.03 0.44 -0.19 -1.28 0.00 0.00 0.00 177.39 176.40 1ab3 h SER 39 N 0.01 0.01 -0.30 1.96 0.87 -1.62 -3.28 113.55 111.20 1ab3 h SER 39 Ca -0.34 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1ab3 h SER 39 Cb 2.05 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 1ab3 h SER 39 CO 0.07 1.01 0.00 -0.62 -0.53 0.00 0.00 176.83 176.77 1ab3 n GLU 40 N -3.21 3.02 0.00 2.24 4.71 -1.25 -3.80 120.64 122.36 1ab3 n GLU 40 Ca -0.09 -1.64 0.00 0.00 -0.01 0.00 0.00 57.16 55.42 1ab3 n GLU 40 Cb 1.00 -1.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 1ab3 n GLU 40 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1ab3 n HIS 41 N 0.33 0.00 0.94 -0.32 -0.00 -1.24 -4.38 115.22 110.56 1ab3 n HIS 41 Ca 0.14 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.41 1ab3 n HIS 41 Cb 0.74 -0.08 0.48 0.00 -0.12 0.00 0.00 29.99 31.01 1ab3 n HIS 41 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1ab3 n LEU 42 N -1.42 0.00 -0.61 0.27 4.32 -1.26 -1.68 117.00 116.62 1ab3 n LEU 42 Ca 0.00 0.20 0.02 0.00 -0.02 0.00 0.00 56.01 56.21 1ab3 n LEU 42 Cb 0.00 -0.20 0.08 0.00 -1.62 0.00 0.00 43.42 41.67 1ab3 n LEU 42 CO 0.00 -0.08 0.43 0.29 -1.22 0.00 0.00 177.39 176.81 1ab3 n LYS 43 N -1.20 1.63 0.00 3.23 5.02 -1.25 -3.99 118.16 121.60 1ab3 n LYS 43 Ca 0.10 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1ab3 n LYS 43 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1ab3 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ab3 n VAL 44 N 0.06 0.00 0.00 -0.18 0.31 -1.11 -5.00 118.33 112.41 1ab3 n VAL 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ab3 n VAL 44 Cb 0.33 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 -1.55 0.00 -2.15 3.52 8.25 -0.68 -4.81 115.22 117.81 1ab3 n HIS 45 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1ab3 n HIS 45 Cb 0.00 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 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 -0.86 -1.70 0.00 -0.41 5.02 -1.26 -4.62 118.16 114.34 1ab3 n LYS 46 Ca 0.00 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1ab3 n LYS 46 Cb 0.00 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.49 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ab3 n LYS 47 N -2.74 0.00 0.00 1.97 2.85 -1.26 -5.11 118.16 113.87 1ab3 n LYS 47 Ca -0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 1ab3 n LYS 47 Cb 0.65 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.03 1ab3 n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ab3 n ASP 48 N 0.00 0.00 0.00 -5.58 8.00 -1.26 -5.17 116.55 112.54 1ab3 n ASP 48 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ab3 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1ab3 n HIS 49 N 0.00 0.00 -2.02 1.24 -0.00 -1.26 -4.91 115.22 108.26 1ab3 n HIS 49 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ab3 n HIS 49 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 0.00 0.00 1.40 1.57 8.25 -1.26 -4.86 115.22 120.32 1ab3 n HIS 50 Ca 0.00 -0.06 0.03 0.00 -0.26 0.00 0.00 57.72 57.44 1ab3 n HIS 50 Cb 0.00 0.13 0.09 0.00 1.12 0.00 0.00 29.99 31.33 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ab3 n SER 51 N 0.02 1.02 0.00 0.41 3.41 -1.26 -3.83 113.62 113.39 1ab3 n SER 51 Ca -0.01 -1.99 0.10 0.00 -0.26 0.00 0.00 58.87 56.70 1ab3 n SER 51 Cb 0.62 -0.13 0.56 0.00 -0.26 0.00 0.00 64.21 65.01 1ab3 n SER 51 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ab3 n HIS 52 N 0.05 0.00 0.00 7.33 -0.00 -1.26 -3.99 115.22 117.36 1ab3 n HIS 52 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1ab3 n HIS 52 Cb 0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1ab3 n ARG 53 N -1.10 0.00 -2.49 1.57 3.00 -1.25 -3.44 116.66 112.94 1ab3 n ARG 53 Ca 0.13 0.64 -0.27 0.00 -0.01 0.00 0.00 57.85 58.34 1ab3 n ARG 53 Cb 0.10 -1.22 -0.00 0.00 0.00 0.00 0.00 32.46 31.34 1ab3 n ARG 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ab3 n GLY 54 N -0.95 6.00 1.66 -0.13 0.00 -1.26 -4.81 105.19 105.70 1ab3 n GLY 54 Ca 0.00 -2.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.12 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 -0.47 5.14 -0.08 0.99 7.94 -1.22 -3.92 117.00 125.37 1ab3 n LEU 55 Ca 0.39 -2.68 -0.12 0.00 -1.11 0.00 0.00 56.01 52.49 1ab3 n LEU 55 Cb 0.65 -0.73 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 1ab3 n LEU 55 CO 0.33 0.85 -1.05 0.18 -1.11 0.00 0.00 177.39 176.59 1ab3 n LEU 56 N -0.22 2.91 -0.23 -1.96 4.77 -1.26 -4.45 117.00 116.56 1ab3 n LEU 56 Ca 0.30 -0.08 0.25 0.00 -0.03 0.00 0.00 56.01 56.45 1ab3 n LEU 56 Cb 1.00 -0.59 0.63 0.00 -2.33 0.00 0.00 43.42 42.13 1ab3 n LEU 56 CO 0.32 0.77 1.25 -0.03 -1.33 0.00 0.00 177.39 178.36 1ab3 h MET 57 N -0.03 0.18 -0.05 3.23 4.05 -1.96 0.37 114.93 120.73 1ab3 h MET 57 Ca -0.38 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.03 1ab3 h MET 57 Cb 1.58 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.33 1ab3 h MET 57 CO -0.07 0.12 0.01 0.52 0.23 0.00 0.00 176.91 177.72 1ab3 h MET 58 N 0.18 0.02 -0.47 0.39 2.86 -1.82 0.93 114.93 117.03 1ab3 h MET 58 Ca 0.47 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.03 1ab3 h MET 58 Cb 1.54 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.18 1ab3 h MET 58 CO -0.10 0.02 -0.02 0.28 1.06 0.00 0.00 176.91 178.15 1ab3 h VAL 59 N 0.02 1.24 -0.05 -2.22 2.07 -1.20 -1.36 116.25 114.77 1ab3 h VAL 59 Ca 0.02 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ab3 h VAL 59 Cb 0.02 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1ab3 h VAL 59 CO -0.03 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1ab3 n GLY 60 N -0.61 -0.74 1.53 2.17 0.00 -0.72 -3.43 105.19 103.39 1ab3 n GLY 60 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.45 3.11 0.00 1.61 6.02 0.27 -4.25 117.38 123.69 1ab3 n GLN 61 Ca 0.08 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.01 1ab3 n GLN 61 Cb 0.08 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.39 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 0.14 0.00 0.28 -1.09 0.63 -1.23 -4.63 116.66 110.77 1ab3 n ARG 62 Ca 0.24 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.31 1ab3 n ARG 62 Cb 0.99 -0.08 0.75 0.00 0.45 0.00 0.00 32.46 34.57 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 -0.08 -0.14 2.47 -1.73 -2.81 114.38 112.09 1ab3 h ARG 63 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1ab3 h ARG 63 Cb 0.00 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 28.11 1ab3 h ARG 63 CO 0.00 0.00 -0.50 0.54 0.56 0.00 0.00 179.97 180.57 1ab3 n ARG 64 N -2.66 0.95 0.19 0.04 1.74 -1.26 -4.91 116.66 110.74 1ab3 n ARG 64 Ca -0.02 -1.65 0.13 0.00 -0.77 0.00 0.00 57.85 55.54 1ab3 n ARG 64 Cb 0.28 0.04 0.67 0.00 -1.02 0.00 0.00 32.46 32.43 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ab3 h LEU 65 N 1.04 0.00 -1.49 0.55 6.46 -1.76 -1.48 115.31 118.63 1ab3 h LEU 65 Ca -0.40 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 1ab3 h LEU 65 Cb 1.38 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 1ab3 h LEU 65 CO -0.12 0.00 -0.03 0.17 -0.62 0.00 0.00 178.44 177.84 1ab3 h LEU 66 N 0.00 0.27 -1.73 2.25 -0.00 -1.91 -1.58 115.31 112.60 1ab3 h LEU 66 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1ab3 h LEU 66 Cb 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1ab3 h LEU 66 CO 0.00 0.35 0.30 0.03 -0.00 0.00 0.00 178.44 179.12 1ab3 h ARG 67 N 0.29 0.00 0.00 0.17 3.08 -1.63 0.45 114.38 116.74 1ab3 h ARG 67 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ab3 h ARG 67 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ab3 h ARG 67 CO 0.01 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.57 1ab3 n TYR 68 N -2.67 0.00 0.28 3.04 4.02 -0.61 -4.27 117.16 116.96 1ab3 n TYR 68 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 1ab3 n TYR 68 Cb 0.34 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.61 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1ab3 h LEU 69 N 0.00 -0.62 -1.66 7.72 5.85 -1.60 -0.92 115.31 124.09 1ab3 h LEU 69 Ca 0.00 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.88 1ab3 h LEU 69 Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1ab3 h LEU 69 CO 0.00 -0.41 0.65 -0.61 -0.34 0.00 0.00 178.44 177.73 1ab3 h GLN 70 N -0.79 0.00 0.02 1.25 -0.00 -1.51 0.34 115.11 114.42 1ab3 h GLN 70 Ca -0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.32 1ab3 h GLN 70 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.06 1ab3 h GLN 70 CO 0.12 0.00 -1.01 0.00 0.00 0.00 0.00 178.83 177.95 1ab3 h ARG 71 N 0.00 0.65 -0.67 1.69 2.47 0.54 -3.14 114.38 115.91 1ab3 h ARG 71 Ca 0.23 -0.72 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1ab3 h ARG 71 Cb 1.53 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 30.06 1ab3 h ARG 71 CO -0.00 1.30 0.00 0.39 0.56 0.00 0.00 179.97 182.22 1ab3 n GLU 72 N -3.91 2.13 0.00 0.04 1.02 0.11 -4.73 120.64 115.30 1ab3 n GLU 72 Ca -0.11 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 1ab3 n GLU 72 Cb 0.87 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.23 0.00 0.17 1.62 8.00 -0.89 -4.99 116.55 120.70 1ab3 n ASP 73 Ca 0.09 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.64 1ab3 n ASP 73 Cb 0.47 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.03 -0.24 0.13 -1.83 -3.05 132.00 127.04 1ab3 h PRO 74 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 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 0.40 -1.04 0.93 -0.23 0.00 0.00 178.00 178.06 1ab3 h GLU 75 N 0.00 0.52 0.00 0.86 5.08 -1.95 -2.79 114.58 116.30 1ab3 h GLU 75 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1ab3 h GLU 75 Cb 1.09 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ab3 h GLU 75 CO 0.05 1.22 0.00 0.00 -1.00 0.00 0.00 179.01 179.29 1ab3 h ARG 76 N 0.28 0.00 -1.12 2.33 3.08 -1.88 -2.00 114.38 115.07 1ab3 h ARG 76 Ca -0.12 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.70 1ab3 h ARG 76 Cb 1.70 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.62 1ab3 h ARG 76 CO 0.19 0.00 0.30 0.98 -1.07 0.00 0.00 179.97 180.37 1ab3 n TYR 77 N -2.34 1.32 -1.63 3.04 9.36 -1.05 -3.61 117.16 122.25 1ab3 n TYR 77 Ca 0.00 -1.23 0.00 0.00 3.32 0.00 0.00 57.90 59.99 1ab3 n TYR 77 Cb 0.13 -0.62 0.00 0.00 -0.63 0.00 0.00 39.34 38.22 1ab3 n TYR 77 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ab3 n ARG 78 N -0.06 0.00 0.12 2.98 5.12 -0.75 -4.83 116.66 119.24 1ab3 n ARG 78 Ca 0.26 -0.64 0.00 0.00 -1.93 0.00 0.00 57.85 55.54 1ab3 n ARG 78 Cb 0.91 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ab3 n ALA 79 N 0.00 3.00 0.31 7.54 0.00 -1.24 -4.76 120.51 125.36 1ab3 n ALA 79 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ab3 n ALA 79 Cb 0.59 0.05 0.18 0.00 0.00 0.00 0.00 19.45 20.27 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 -3.45 0.00 0.07 0.00 4.77 -1.26 -1.00 117.00 116.12 1ab3 n LEU 80 Ca 0.00 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1ab3 n LEU 80 Cb 0.01 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1ab3 n LEU 80 CO 0.00 -0.32 0.30 0.16 -1.33 0.00 0.00 177.39 176.20 1ab3 h ILE 81 N 0.00 1.42 -0.01 -0.08 -0.00 -1.86 -2.84 117.51 114.15 1ab3 h ILE 81 Ca 0.00 -2.33 0.00 0.00 -0.00 0.00 0.00 64.86 62.53 1ab3 h ILE 81 Cb 0.12 2.27 0.00 0.00 -0.00 0.00 0.00 36.82 39.21 1ab3 h ILE 81 CO 0.00 0.69 -0.17 1.21 -0.00 0.00 0.00 178.15 179.88 1ab3 n GLU 82 N -3.77 1.14 -0.58 0.16 2.13 -0.17 -3.82 120.64 115.73 1ab3 n GLU 82 Ca -0.04 -0.67 0.06 0.00 0.66 0.00 0.00 57.16 57.16 1ab3 n GLU 82 Cb 0.75 -1.49 0.20 0.00 0.27 0.00 0.00 31.44 31.17 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ab3 n LYS 83 N -0.34 1.50 0.04 5.31 5.02 -1.04 -4.87 118.16 123.78 1ab3 n LYS 83 Ca 0.14 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 1ab3 n LYS 83 Cb 0.35 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.09 -0.34 0.00 -0.35 4.77 -1.09 -4.97 117.00 113.93 1ab3 n LEU 84 Ca 0.18 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1ab3 n LEU 84 Cb 0.70 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1ab3 n LEU 84 CO -0.04 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1ab3 n GLY 85 N 0.60 -0.07 0.00 -0.72 0.00 -1.26 -4.96 105.19 98.79 1ab3 n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.00 119.36 112.64 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 -0.44 0.00 -0.38 9.51 1.74 -1.26 -4.94 116.66 120.89 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