#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 0.86 -2.84 4.25 -0.00 -1.26 -4.93 119.36 115.44 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 -0.76 0.00 0.00 -0.00 0.00 0.00 39.64 38.88 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 -3.20 0.00 0.00 1.39 5.66 -1.26 -4.94 114.28 111.93 1ab3 n THR 3 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1ab3 n THR 3 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.42 1.09 5.02 -1.26 -2.58 118.16 120.01 1ab3 n LYS 4 Ca 0.00 0.19 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1ab3 n LYS 4 Cb 0.00 -0.76 0.20 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.45 2.84 -0.04 1.97 1.02 -1.26 -3.87 120.64 120.85 1ab3 n GLU 5 Ca 0.00 -1.56 0.11 0.00 -0.02 0.00 0.00 57.16 55.69 1ab3 n GLU 5 Cb 0.00 -1.82 0.49 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.35 1.49 0.00 3.49 -0.58 -1.06 -3.77 120.64 120.56 1ab3 n GLU 6 Ca 0.14 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 56.15 1ab3 n GLU 6 Cb 0.68 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 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 -0.07 0.62 0.14 3.49 -0.00 -1.24 -4.41 118.16 116.69 1ab3 n LYS 7 Ca 0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.34 1ab3 n LYS 7 Cb 0.26 -0.62 -0.08 0.00 -0.00 0.00 0.00 35.03 34.59 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 -0.29 0.00 -1.58 4.20 -1.71 -1.51 115.11 114.23 1ab3 h GLN 8 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ab3 h GLN 8 Cb 0.23 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ab3 h GLN 8 CO 0.00 -0.12 0.00 0.87 -0.67 0.00 0.00 178.83 178.91 1ab3 h LYS 9 N -0.40 0.00 0.07 1.46 1.57 -1.89 -1.30 116.57 116.08 1ab3 h LYS 9 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ab3 h LYS 9 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1ab3 h LYS 9 CO 0.05 0.00 -0.03 0.28 -0.57 0.00 0.00 179.45 179.18 1ab3 h VAL 10 N 0.00 0.82 -0.11 0.50 2.07 -1.57 -3.34 116.25 114.62 1ab3 h VAL 10 Ca 0.00 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1ab3 h VAL 10 Cb 0.17 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1ab3 h VAL 10 CO 0.00 0.26 -0.20 0.16 0.02 0.00 0.00 177.57 177.81 1ab3 h ILE 11 N -0.96 1.38 -1.12 4.57 -2.65 -1.25 -1.59 117.51 115.89 1ab3 h ILE 11 Ca -0.01 -1.46 0.39 0.00 1.03 0.00 0.00 64.86 64.81 1ab3 h ILE 11 Cb 0.49 2.07 -0.11 0.00 -2.05 0.00 0.00 36.82 37.22 1ab3 h ILE 11 CO 0.02 0.42 0.72 0.00 0.03 0.00 0.00 178.15 179.34 1ab3 n GLN 12 N -4.53 -0.03 -0.02 0.16 10.64 -0.51 0.29 117.38 123.39 1ab3 n GLN 12 Ca -0.07 1.00 -0.19 0.00 -1.83 0.00 0.00 57.00 55.91 1ab3 n GLN 12 Cb 0.41 -1.98 -0.14 0.00 -0.86 0.00 0.00 30.24 27.67 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1ab3 n GLU 13 N -4.28 0.73 -0.03 2.61 2.13 -1.17 -4.52 120.64 116.11 1ab3 n GLU 13 Ca 0.32 0.24 -0.01 0.00 0.66 0.00 0.00 57.16 58.38 1ab3 n GLU 13 Cb 1.27 -1.68 -0.00 0.00 0.27 0.00 0.00 31.44 31.29 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1ab3 h PHE 14 N 0.05 0.00 0.00 4.31 0.04 0.54 -3.42 116.94 118.46 1ab3 h PHE 14 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1ab3 h PHE 14 Cb 2.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.17 1ab3 h PHE 14 CO 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.77 1ab3 n ALA 15 N -2.67 0.00 -1.50 2.45 0.00 0.69 -4.74 120.51 114.73 1ab3 n ALA 15 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1ab3 n ALA 15 Cb 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 1ab3 n ALA 15 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ab3 n ARG 16 N -0.24 -0.75 -4.61 0.00 -4.01 -1.25 -4.84 116.66 100.96 1ab3 n ARG 16 Ca 0.00 0.79 -0.28 0.00 -1.04 0.00 0.00 57.85 57.32 1ab3 n ARG 16 Cb 0.00 -4.76 -0.11 0.00 -3.04 0.00 0.00 32.46 24.55 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 1ab3 s PHE 17 N -2.42 2.42 -2.00 2.89 0.08 -1.26 -5.00 117.98 112.70 1ab3 s PHE 17 Ca 0.00 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.34 1ab3 s PHE 17 Cb 0.00 -1.72 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1ab3 s PHE 17 CO 0.00 0.39 0.80 -0.35 -0.10 0.00 0.00 175.22 175.96 1ab3 n PRO 18 N -0.96 0.77 -0.89 0.24 -0.04 -1.26 -2.45 135.00 130.41 1ab3 n PRO 18 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ab3 n PRO 18 Cb 0.67 -1.02 -0.00 0.00 -0.04 0.00 0.00 33.50 33.11 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 0.28 0.74 1.19 0.55 0.00 -1.26 -5.06 105.19 101.63 1ab3 n GLY 19 Ca 0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1ab3 n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ab3 n ASP 20 N 0.16 -0.56 -1.05 1.61 5.75 -1.03 -4.48 116.55 116.95 1ab3 n ASP 20 Ca -0.02 -0.27 -0.03 0.00 -0.01 0.00 0.00 54.79 54.46 1ab3 n ASP 20 Cb 0.81 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 40.67 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1ab3 n THR 21 N 1.84 0.00 0.00 2.12 5.66 -1.26 -4.77 114.28 117.87 1ab3 n THR 21 Ca 0.18 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1ab3 n THR 21 Cb 0.08 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1ab3 n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab3 n GLY 22 N 0.13 0.71 3.01 1.09 0.00 -1.26 -5.00 105.19 103.87 1ab3 n GLY 22 Ca -0.15 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 4.34 0.00 1.61 7.64 -1.26 -4.71 113.62 121.24 1ab3 n SER 23 Ca 0.00 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1ab3 n SER 23 Cb 0.00 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 61.54 1ab3 n SER 23 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ab3 n THR 24 N 5.28 0.00 -0.29 0.44 -1.04 -1.26 -3.27 114.28 114.14 1ab3 n THR 24 Ca 0.49 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.70 1ab3 n THR 24 Cb 0.41 0.00 0.37 0.00 -1.82 0.00 0.00 70.33 69.29 1ab3 n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ab3 n GLU 25 N 0.00 -0.06 -0.01 -2.82 -0.58 -1.26 0.12 120.64 116.03 1ab3 n GLU 25 Ca 0.00 1.25 -0.10 0.00 -0.42 0.00 0.00 57.16 57.90 1ab3 n GLU 25 Cb 0.00 -2.10 -0.04 0.00 -0.57 0.00 0.00 31.44 28.73 1ab3 n GLU 25 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ab3 h VAL 26 N 0.00 0.83 -0.46 2.62 2.07 -1.85 -2.14 116.25 117.32 1ab3 h VAL 26 Ca 0.62 0.00 0.02 0.00 0.82 0.00 0.00 66.70 68.16 1ab3 h VAL 26 Cb 1.46 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1ab3 h VAL 26 CO -0.75 0.00 0.28 1.56 0.02 0.00 0.00 177.57 178.67 1ab3 h GLN 27 N -0.03 0.54 -1.22 1.57 4.20 0.61 0.47 115.11 121.25 1ab3 h GLN 27 Ca 0.06 -0.03 0.35 0.00 0.06 0.00 0.00 58.65 59.09 1ab3 h GLN 27 Cb 0.13 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 1ab3 h GLN 27 CO -0.14 0.36 0.83 0.28 -0.67 0.00 0.00 178.83 179.48 1ab3 h VAL 28 N 0.55 0.37 -0.21 -0.54 2.07 -0.65 1.07 116.25 118.92 1ab3 h VAL 28 Ca 0.18 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.57 1ab3 h VAL 28 Cb 0.00 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1ab3 h VAL 28 CO -0.08 0.03 -0.17 0.00 0.02 0.00 0.00 177.57 177.37 1ab3 h ALA 29 N 1.49 0.30 0.00 1.67 0.00 -0.49 -1.94 119.26 120.28 1ab3 h ALA 29 Ca 0.65 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ab3 h ALA 29 Cb 2.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ab3 h ALA 29 CO -0.18 0.20 0.00 1.47 0.00 0.00 0.00 179.25 180.74 1ab3 n LEU 30 N -4.47 0.00 0.08 0.00 -0.00 0.34 -1.90 117.00 111.04 1ab3 n LEU 30 Ca -0.05 0.49 -0.06 0.00 -0.00 0.00 0.00 56.01 56.39 1ab3 n LEU 30 Cb 0.38 -0.49 0.10 0.00 -0.00 0.00 0.00 43.42 43.41 1ab3 n LEU 30 CO 0.41 -0.27 0.45 0.17 -0.00 0.00 0.00 177.39 178.15 1ab3 h LEU 31 N 0.00 0.29 -0.06 1.47 8.10 0.28 -2.88 115.31 122.51 1ab3 h LEU 31 Ca 0.00 -0.18 -0.10 0.00 0.11 0.00 0.00 57.88 57.71 1ab3 h LEU 31 Cb 0.22 -0.09 0.01 0.00 -0.44 0.00 0.00 40.66 40.36 1ab3 h LEU 31 CO 0.00 0.85 -0.36 0.00 -4.11 0.00 0.00 178.44 174.82 1ab3 h THR 32 N 0.18 1.43 0.35 0.15 1.03 -1.37 -2.94 112.91 111.74 1ab3 h THR 32 Ca -0.01 -1.78 -0.00 0.00 -0.01 0.00 0.00 66.41 64.61 1ab3 h THR 32 Cb 1.16 2.37 -0.03 0.00 -1.07 0.00 0.00 68.15 70.57 1ab3 h THR 32 CO 0.10 0.51 -0.45 0.25 -0.01 0.00 0.00 175.52 175.92 1ab3 h LEU 33 N -0.14 -1.27 -2.11 0.00 5.85 -1.57 0.14 115.31 116.20 1ab3 h LEU 33 Ca -0.03 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1ab3 h LEU 33 Cb 1.02 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 1ab3 h LEU 33 CO 0.07 -0.58 0.31 -0.09 -0.34 0.00 0.00 178.44 177.82 1ab3 h ARG 34 N -0.84 0.00 0.21 1.25 9.65 -1.60 -1.10 114.38 121.95 1ab3 h ARG 34 Ca -0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1ab3 h ARG 34 Cb 0.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1ab3 h ARG 34 CO -0.12 0.00 -0.10 0.82 2.80 0.00 0.00 179.97 183.36 1ab3 h ILE 35 N 0.00 0.77 -0.94 1.20 5.03 -0.57 -1.98 117.51 121.02 1ab3 h ILE 35 Ca 0.06 -0.94 -0.01 0.00 -0.12 0.00 0.00 64.86 63.85 1ab3 h ILE 35 Cb 0.68 1.24 -0.05 0.00 -3.03 0.00 0.00 36.82 35.67 1ab3 h ILE 35 CO -0.00 0.18 0.57 0.78 -0.68 0.00 0.00 178.15 179.00 1ab3 h ASN 36 N -0.84 1.13 -0.16 1.72 2.35 -0.39 -0.89 115.58 118.51 1ab3 h ASN 36 Ca -0.03 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1ab3 h ASN 36 Cb 0.51 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ab3 h ASN 36 CO 0.05 0.87 0.00 0.54 -1.65 0.00 0.00 177.43 177.24 1ab3 n ARG 37 N -4.35 1.37 -0.06 0.81 1.74 -0.70 -3.59 116.66 111.88 1ab3 n ARG 37 Ca 0.11 -0.58 -0.22 0.00 -0.77 0.00 0.00 57.85 56.39 1ab3 n ARG 37 Cb 0.06 -1.12 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.03 2.31 0.32 0.55 7.94 -0.34 -3.98 117.00 123.77 1ab3 n LEU 38 Ca 0.05 0.28 0.21 0.00 -1.11 0.00 0.00 56.01 55.44 1ab3 n LEU 38 Cb 0.14 -1.03 1.07 0.00 0.53 0.00 0.00 43.42 44.13 1ab3 n LEU 38 CO 0.04 0.62 1.14 -1.28 -1.11 0.00 0.00 177.39 176.79 1ab3 h SER 39 N -0.43 0.00 -0.34 1.96 0.87 -1.60 -0.20 113.55 113.81 1ab3 h SER 39 Ca -0.43 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1ab3 h SER 39 Cb 1.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 1ab3 h SER 39 CO -0.08 0.01 0.03 -0.62 -0.53 0.00 0.00 176.83 175.64 1ab3 n GLU 40 N -3.20 3.08 0.00 2.24 4.71 -1.26 -3.97 120.64 122.25 1ab3 n GLU 40 Ca -0.02 -1.77 0.00 0.00 -0.01 0.00 0.00 57.16 55.35 1ab3 n GLU 40 Cb 0.12 -1.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 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 0.29 0.00 0.72 -0.32 -0.00 -0.09 -4.34 115.22 111.48 1ab3 n HIS 41 Ca 0.17 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.42 1ab3 n HIS 41 Cb 0.82 0.00 0.38 0.00 -0.12 0.00 0.00 29.99 31.07 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 -0.21 0.00 -0.60 0.27 4.32 -1.26 -1.72 117.00 117.80 1ab3 n LEU 42 Ca 0.00 0.25 0.02 0.00 -0.02 0.00 0.00 56.01 56.25 1ab3 n LEU 42 Cb 0.00 -0.25 0.07 0.00 -1.62 0.00 0.00 43.42 41.63 1ab3 n LEU 42 CO 0.00 -0.13 0.42 0.29 -1.22 0.00 0.00 177.39 176.75 1ab3 n LYS 43 N -1.25 1.60 0.00 3.23 4.76 -1.25 -4.03 118.16 121.22 1ab3 n LYS 43 Ca 0.07 -0.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 1ab3 n LYS 43 Cb 0.11 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 0.05 0.00 0.00 -0.18 0.31 -1.06 -5.00 118.33 112.46 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 -1.50 0.00 -1.09 3.52 8.25 -0.70 -4.77 115.22 118.94 1ab3 n HIS 45 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1ab3 n HIS 45 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.13 -1.40 0.00 -0.41 5.02 -1.26 -4.73 118.16 115.24 1ab3 n LYS 46 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1ab3 n LYS 46 Cb 0.00 -4.64 0.00 0.00 -0.02 0.00 0.00 35.03 30.37 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 -0.55 0.00 0.00 1.97 2.85 -1.26 -5.11 118.16 116.06 1ab3 n LYS 47 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1ab3 n LYS 47 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1ab3 n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ab3 n ASP 48 N 0.00 0.00 -1.04 -5.58 -0.08 -1.26 -5.14 116.55 103.45 1ab3 n ASP 48 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1ab3 n ASP 48 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1ab3 n HIS 49 N 0.00 -2.84 -2.22 -0.67 8.25 -1.26 -4.73 115.22 111.75 1ab3 n HIS 49 Ca 0.00 0.99 0.01 0.00 -0.26 0.00 0.00 57.72 58.46 1ab3 n HIS 49 Cb 0.00 -1.77 0.00 0.00 1.12 0.00 0.00 29.99 29.35 1ab3 n HIS 49 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ab3 n HIS 50 N -2.96 0.00 -1.30 4.41 -0.00 -1.26 -4.98 115.22 109.12 1ab3 n HIS 50 Ca 0.01 -0.26 -0.53 0.00 0.46 0.00 0.00 57.72 57.40 1ab3 n HIS 50 Cb 0.36 -0.03 -0.13 0.00 -0.12 0.00 0.00 29.99 30.07 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ab3 n SER 51 N 0.22 0.60 0.00 0.26 7.64 -1.26 -4.49 113.62 116.59 1ab3 n SER 51 Ca 0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1ab3 n SER 51 Cb 0.88 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1ab3 n SER 51 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ab3 n HIS 52 N 8.26 0.00 0.12 1.43 -0.00 -1.26 -4.99 115.22 118.77 1ab3 n HIS 52 Ca 0.57 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.16 1ab3 n HIS 52 Cb -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.89 1ab3 n HIS 52 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ab3 h ARG 53 N 0.00 -0.27 -1.24 1.57 2.43 -2.07 -3.39 114.38 111.40 1ab3 h ARG 53 Ca 0.00 0.02 -0.39 0.00 -0.81 0.00 0.00 59.98 58.80 1ab3 h ARG 53 Cb 0.00 0.06 -0.30 0.00 -0.42 0.00 0.00 29.97 29.31 1ab3 h ARG 53 CO 0.00 0.01 -0.91 0.41 -1.51 0.00 0.00 179.97 177.97 1ab3 n GLY 54 N -0.50 2.44 1.60 2.80 0.00 -1.26 -4.94 105.19 105.34 1ab3 n GLY 54 Ca -0.09 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1ab3 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab3 n LEU 55 N 0.35 4.88 -0.09 0.99 4.77 -1.26 -3.87 117.00 122.78 1ab3 n LEU 55 Ca 0.18 -2.55 -0.12 0.00 -0.03 0.00 0.00 56.01 53.49 1ab3 n LEU 55 Cb 0.67 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1ab3 n LEU 55 CO 0.14 0.79 -1.06 0.18 -1.33 0.00 0.00 177.39 176.12 1ab3 n LEU 56 N -0.22 2.90 -0.09 2.23 4.77 -1.26 -4.41 117.00 120.92 1ab3 n LEU 56 Ca 0.28 -0.08 0.26 0.00 -0.03 0.00 0.00 56.01 56.44 1ab3 n LEU 56 Cb 1.01 -0.60 0.72 0.00 -2.33 0.00 0.00 43.42 42.22 1ab3 n LEU 56 CO 0.29 0.77 1.23 -0.03 -1.33 0.00 0.00 177.39 178.32 1ab3 h MET 57 N -0.04 0.00 -0.50 3.23 4.05 -1.99 0.11 114.93 119.80 1ab3 h MET 57 Ca -0.39 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.08 1ab3 h MET 57 Cb 1.58 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.34 1ab3 h MET 57 CO -0.07 0.00 0.25 0.52 0.23 0.00 0.00 176.91 177.84 1ab3 h MET 58 N 0.00 0.47 0.00 0.39 2.86 -1.81 0.55 114.93 117.39 1ab3 h MET 58 Ca 0.35 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1ab3 h MET 58 Cb 1.53 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.09 1ab3 h MET 58 CO -0.00 0.31 -0.07 0.28 1.06 0.00 0.00 176.91 178.49 1ab3 h VAL 59 N 0.48 0.30 -0.15 -2.22 2.07 -1.03 -1.20 116.25 114.50 1ab3 h VAL 59 Ca 0.22 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ab3 h VAL 59 Cb 0.14 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ab3 h VAL 59 CO -0.16 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1ab3 n GLY 60 N -0.59 0.02 1.27 2.17 0.00 0.17 -3.52 105.19 104.72 1ab3 n GLY 60 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 3.17 0.00 1.61 1.13 -0.46 -3.95 117.38 118.87 1ab3 n GLN 61 Ca 0.05 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.32 1ab3 n GLN 61 Cb 0.18 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.62 1ab3 n GLN 61 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1ab3 n ARG 62 N 0.39 0.00 0.00 -1.09 1.85 -1.24 -4.57 116.66 111.99 1ab3 n ARG 62 Ca 0.16 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.06 1ab3 n ARG 62 Cb 0.77 -0.05 0.25 0.00 -1.05 0.00 0.00 32.46 32.38 1ab3 n ARG 62 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1ab3 n ARG 63 N -1.33 0.04 -0.96 2.89 3.00 -1.23 -3.31 116.66 115.76 1ab3 n ARG 63 Ca 0.00 0.28 -0.06 0.00 -0.00 0.00 0.00 57.85 58.07 1ab3 n ARG 63 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 1ab3 n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ab3 n ARG 64 N -1.45 0.00 0.00 -0.14 1.74 -1.25 -4.91 116.66 110.64 1ab3 n ARG 64 Ca 0.03 -0.92 0.10 0.00 -0.77 0.00 0.00 57.85 56.29 1ab3 n ARG 64 Cb 0.12 0.42 0.60 0.00 -1.02 0.00 0.00 32.46 32.58 1ab3 n ARG 64 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ab3 n LEU 65 N 0.02 0.00 0.29 0.55 0.00 -1.21 -3.16 117.00 113.49 1ab3 n LEU 65 Ca -0.23 0.05 0.14 0.00 0.00 0.00 0.00 56.01 55.97 1ab3 n LEU 65 Cb 0.69 -0.05 0.89 0.00 0.00 0.00 0.00 43.42 44.95 1ab3 n LEU 65 CO -0.12 -0.02 1.12 0.17 0.00 0.00 0.00 177.39 178.54 1ab3 h LEU 66 N 0.00 0.00 -0.48 -1.96 8.10 -1.91 -0.43 115.31 118.63 1ab3 h LEU 66 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ab3 h LEU 66 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1ab3 h LEU 66 CO 0.00 0.00 0.00 -1.14 -4.11 0.00 0.00 178.44 173.19 1ab3 n ARG 67 N -3.91 1.00 0.00 0.17 0.63 -1.19 -1.01 116.66 112.36 1ab3 n ARG 67 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1ab3 n ARG 67 Cb 0.09 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1ab3 n ARG 67 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ab3 n TYR 68 N -0.26 0.00 -0.02 -0.14 4.01 -0.17 -4.75 117.16 115.83 1ab3 n TYR 68 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1ab3 n TYR 68 Cb 0.12 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.07 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1ab3 h LEU 69 N 0.00 -0.07 -1.35 7.72 6.46 -1.76 -3.07 115.31 123.24 1ab3 h LEU 69 Ca 0.00 -0.53 0.30 0.00 -0.12 0.00 0.00 57.88 57.53 1ab3 h LEU 69 Cb 0.00 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 39.85 1ab3 h LEU 69 CO 0.00 0.64 0.69 -0.61 -0.62 0.00 0.00 178.44 178.55 1ab3 h GLN 70 N -0.93 0.33 -0.56 1.25 -0.00 -1.66 0.42 115.11 113.97 1ab3 h GLN 70 Ca -0.01 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 1ab3 h GLN 70 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 1ab3 h GLN 70 CO 0.01 0.22 0.07 0.00 0.00 0.00 0.00 178.83 179.14 1ab3 h ARG 71 N 0.34 0.93 -0.80 1.69 3.08 -1.10 -2.21 114.38 116.31 1ab3 h ARG 71 Ca 0.64 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 1ab3 h ARG 71 Cb 1.68 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1ab3 h ARG 71 CO -0.33 0.91 0.01 0.39 -1.07 0.00 0.00 179.97 179.87 1ab3 n GLU 72 N -4.33 2.89 0.00 0.04 1.02 0.14 -4.70 120.64 115.70 1ab3 n GLU 72 Ca 0.02 -1.54 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1ab3 n GLU 72 Cb 0.28 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.29 0.00 0.12 1.62 9.92 -0.52 -5.01 116.55 122.98 1ab3 n ASP 73 Ca 0.14 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.38 1ab3 n ASP 73 Cb 0.73 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.31 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 -0.06 -0.24 0.13 -1.78 -2.99 132.00 127.06 1ab3 h PRO 74 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.68 -0.47 1.49 -0.23 0.00 0.00 178.00 179.47 1ab3 h GLU 75 N 0.00 0.43 0.00 0.86 4.81 -1.95 -2.57 114.58 116.15 1ab3 h GLU 75 Ca -0.01 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1ab3 h GLU 75 Cb 1.29 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1ab3 h GLU 75 CO 0.09 1.02 0.04 0.00 -0.73 0.00 0.00 179.01 179.43 1ab3 h ARG 76 N -0.04 0.00 -1.50 1.92 2.47 -1.91 -1.47 114.38 113.84 1ab3 h ARG 76 Ca -0.04 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.50 1ab3 h ARG 76 Cb 1.14 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.38 1ab3 h ARG 76 CO 0.10 0.00 0.23 0.98 0.56 0.00 0.00 179.97 181.83 1ab3 n TYR 77 N -2.59 0.90 -2.01 3.04 9.36 -0.97 -3.66 117.16 121.23 1ab3 n TYR 77 Ca -0.02 -1.37 -0.06 0.00 3.32 0.00 0.00 57.90 59.77 1ab3 n TYR 77 Cb 0.09 -0.67 -0.06 0.00 -0.63 0.00 0.00 39.34 38.06 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 0.58 0.00 0.02 2.98 1.85 -0.55 -4.91 116.66 116.64 1ab3 n ARG 78 Ca 0.17 -0.90 0.00 0.00 -1.00 0.00 0.00 57.85 56.13 1ab3 n ARG 78 Cb 0.63 0.42 0.00 0.00 -1.05 0.00 0.00 32.46 32.46 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 0.01 3.00 1.43 2.89 0.00 -1.24 -4.75 120.51 121.86 1ab3 n ALA 79 Ca -0.23 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1ab3 n ALA 79 Cb 0.69 0.03 0.59 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.73 0.00 0.13 0.00 4.32 -1.26 -2.40 117.00 115.05 1ab3 n LEU 80 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 1ab3 n LEU 80 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1ab3 n LEU 80 CO 0.00 0.00 -0.23 0.16 -1.22 0.00 0.00 177.39 176.10 1ab3 h ILE 81 N 0.00 1.29 0.00 -0.08 -0.00 -1.86 -1.50 117.51 115.36 1ab3 h ILE 81 Ca 0.00 -2.77 -0.13 0.00 -0.00 0.00 0.00 64.86 61.96 1ab3 h ILE 81 Cb 0.00 2.98 -0.02 0.00 -0.00 0.00 0.00 36.82 39.78 1ab3 h ILE 81 CO 0.00 0.84 -0.97 -0.33 -0.00 0.00 0.00 178.15 177.69 1ab3 h GLU 82 N 0.12 0.00 0.06 0.16 5.08 -1.78 -0.81 114.58 117.41 1ab3 h GLU 82 Ca -0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1ab3 h GLU 82 Cb 2.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.37 1ab3 h GLU 82 CO 0.24 0.36 -0.43 0.87 -1.00 0.00 0.00 179.01 179.05 1ab3 h LYS 83 N 0.00 0.18 0.00 2.33 1.57 -1.54 -3.40 116.57 115.71 1ab3 h LYS 83 Ca -0.08 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1ab3 h LYS 83 Cb 1.45 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.85 1ab3 h LYS 83 CO 0.05 1.10 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.50 1ab3 h LEU 84 N -0.59 0.00 0.00 2.94 3.38 -1.41 -3.50 115.31 116.12 1ab3 h LEU 84 Ca -0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ab3 h LEU 84 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ab3 h LEU 84 CO 0.08 0.79 0.00 0.61 0.09 0.00 0.00 178.44 180.01 1ab3 n GLY 85 N 1.63 0.64 0.14 0.83 0.00 -0.44 -5.05 105.19 102.95 1ab3 n GLY 85 Ca -0.08 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1ab3 n GLY 85 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ab3 h ILE 86 N 0.00 0.84 -0.03 -0.61 -0.00 -1.48 -3.30 117.51 112.94 1ab3 h ILE 86 Ca 0.00 -2.42 0.01 0.00 -0.00 0.00 0.00 64.86 62.45 1ab3 h ILE 86 Cb 0.00 2.65 -0.00 0.00 -0.00 0.00 0.00 36.82 39.47 1ab3 h ILE 86 CO 0.00 0.83 0.18 0.03 -0.00 0.00 0.00 178.15 179.19 1ab3 h ARG 87 N -0.01 0.00 0.00 2.19 -0.00 -1.86 -3.39 114.38 111.31 1ab3 h ARG 87 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1ab3 h ARG 87 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.97 1ab3 h ARG 87 CO 0.11 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.49