#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab3 s ILE 2 N 0.00 0.03 0.00 0.52 1.01 -1.26 -4.96 121.20 116.54 1ab3 s ILE 2 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1ab3 s ILE 2 Cb 0.00 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1ab3 s ILE 2 CO 0.00 -0.14 0.00 1.07 0.00 0.00 0.00 174.94 175.87 1ab3 n THR 3 N 0.76 0.00 0.00 2.92 5.66 -1.26 -4.94 114.28 117.42 1ab3 n THR 3 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ab3 n THR 3 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.34 1.09 5.02 -1.26 -3.08 118.16 119.59 1ab3 n LYS 4 Ca 0.00 0.32 0.03 0.00 -2.02 0.00 0.00 58.31 56.65 1ab3 n LYS 4 Cb 0.00 -1.27 0.17 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.40 2.49 -0.02 1.97 1.02 -1.26 -3.69 120.64 119.75 1ab3 n GLU 5 Ca 0.00 -1.30 0.13 0.00 -0.02 0.00 0.00 57.16 55.97 1ab3 n GLU 5 Cb 0.00 -1.73 0.49 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.29 1.66 0.00 3.49 -0.58 -1.18 -3.79 120.64 120.54 1ab3 n GLU 6 Ca 0.12 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1ab3 n GLU 6 Cb 0.59 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.19 -0.11 -0.21 3.49 4.76 -1.24 -4.56 118.16 120.47 1ab3 n LYS 7 Ca 0.18 -0.07 0.25 0.00 -2.87 0.00 0.00 58.31 55.81 1ab3 n LYS 7 Cb 0.34 -0.56 0.64 0.00 -1.84 0.00 0.00 35.03 33.62 1ab3 n LYS 7 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1ab3 h GLN 8 N 0.00 0.15 0.00 1.97 1.08 -1.72 -3.37 115.11 113.22 1ab3 h GLN 8 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1ab3 h GLN 8 Cb 0.42 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1ab3 h GLN 8 CO 0.00 0.10 0.00 0.36 -0.95 0.00 0.00 178.83 178.34 1ab3 n LYS 9 N -4.37 0.00 -0.00 1.46 2.85 -1.26 -5.01 118.16 111.82 1ab3 n LYS 9 Ca 0.19 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1ab3 n LYS 9 Cb 0.89 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 35.27 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 0.00 -0.10 0.58 2.07 -1.80 -3.34 116.25 113.66 1ab3 h VAL 10 Ca 0.00 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 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 -0.25 0.16 0.02 0.00 0.00 177.57 177.50 1ab3 h ILE 11 N -0.09 1.40 -1.00 4.57 -2.65 -1.88 -1.30 117.51 116.55 1ab3 h ILE 11 Ca 0.00 -1.57 0.37 0.00 1.03 0.00 0.00 64.86 64.69 1ab3 h ILE 11 Cb 0.00 2.16 -0.12 0.00 -2.05 0.00 0.00 36.82 36.81 1ab3 h ILE 11 CO 0.00 0.45 0.62 0.00 0.03 0.00 0.00 178.15 179.25 1ab3 n GLN 12 N -4.48 -0.04 -0.03 0.16 6.02 -1.26 0.27 117.38 118.03 1ab3 n GLN 12 Ca -0.07 1.03 -0.17 0.00 -0.01 0.00 0.00 57.00 57.78 1ab3 n GLN 12 Cb 0.45 -1.98 -0.14 0.00 1.02 0.00 0.00 30.24 29.59 1ab3 n GLN 12 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ab3 n GLU 13 N -4.46 0.71 -0.05 -1.09 1.02 -1.17 -4.54 120.64 111.06 1ab3 n GLU 13 Ca 0.32 0.24 -0.03 0.00 -0.02 0.00 0.00 57.16 57.67 1ab3 n GLU 13 Cb 1.18 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 30.90 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 0.04 0.00 0.00 -0.32 0.04 0.51 -3.43 116.94 113.79 1ab3 h PHE 14 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1ab3 h PHE 14 Cb 2.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.18 1ab3 h PHE 14 CO 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 1ab3 n ALA 15 N -3.14 0.00 -1.73 2.45 0.00 0.67 -4.65 120.51 114.11 1ab3 n ALA 15 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1ab3 n ALA 15 Cb 0.15 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 1ab3 n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ab3 n ARG 16 N -0.28 -1.06 -4.50 0.00 1.74 -1.25 -4.83 116.66 106.47 1ab3 n ARG 16 Ca 0.00 0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 57.68 1ab3 n ARG 16 Cb 0.00 -5.08 -0.07 0.00 -1.02 0.00 0.00 32.46 26.28 1ab3 n ARG 16 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ab3 s PHE 17 N -2.60 2.12 -2.00 -1.55 0.40 -1.26 -5.00 117.98 108.09 1ab3 s PHE 17 Ca 0.00 -0.81 0.06 0.00 -0.60 0.00 0.00 56.93 55.58 1ab3 s PHE 17 Cb 0.00 -1.75 0.33 0.00 0.51 0.00 0.00 43.02 42.11 1ab3 s PHE 17 CO 0.00 0.18 1.06 -0.35 0.70 0.00 0.00 175.22 176.81 1ab3 n PRO 18 N -1.25 0.83 -0.92 0.24 -0.04 -1.26 -2.76 135.00 129.84 1ab3 n PRO 18 Ca -0.10 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1ab3 n PRO 18 Cb 0.66 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.75 1.29 0.55 0.00 -1.26 -5.06 105.19 101.86 1ab3 n GLY 19 Ca 0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.55 0.00 1.61 5.68 -1.11 -4.23 116.55 118.10 1ab3 n ASP 20 Ca -0.04 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1ab3 n ASP 20 Cb 0.80 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1ab3 n THR 21 N 2.02 0.00 -2.59 2.12 5.66 -1.26 -4.78 114.28 115.46 1ab3 n THR 21 Ca 0.24 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.22 1ab3 n THR 21 Cb 0.06 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.86 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 -0.06 -0.29 3.54 1.09 0.00 -1.26 -4.79 105.19 103.42 1ab3 n GLY 22 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1ab3 n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ab3 n SER 23 N -0.46 0.13 -0.33 1.61 2.88 -1.26 -4.59 113.62 111.60 1ab3 n SER 23 Ca -0.12 0.89 0.23 0.00 -1.33 0.00 0.00 58.87 58.54 1ab3 n SER 23 Cb 0.63 -1.26 0.46 0.00 -0.75 0.00 0.00 64.21 63.29 1ab3 n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ab3 h THR 24 N 0.87 0.28 0.17 2.46 2.02 -1.98 0.28 112.91 117.00 1ab3 h THR 24 Ca -0.44 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1ab3 h THR 24 Cb 1.37 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ab3 h THR 24 CO 0.52 0.05 -0.08 -0.33 0.37 0.00 0.00 175.52 176.05 1ab3 h GLU 25 N 0.29 -0.22 -1.01 6.66 5.08 -1.93 -1.65 114.58 121.80 1ab3 h GLU 25 Ca 0.72 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 59.32 1ab3 h GLU 25 Cb 1.66 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.84 1ab3 h GLU 25 CO -0.63 -0.06 0.61 0.28 -1.00 0.00 0.00 179.01 178.21 1ab3 h VAL 26 N -0.34 0.61 -0.17 3.13 2.07 -0.73 0.86 116.25 121.68 1ab3 h VAL 26 Ca -0.02 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1ab3 h VAL 26 Cb 0.26 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1ab3 h VAL 26 CO 0.04 0.12 -0.03 1.56 0.02 0.00 0.00 177.57 179.27 1ab3 h GLN 27 N 0.64 0.32 -1.19 1.57 4.20 -0.91 -1.98 115.11 117.74 1ab3 h GLN 27 Ca 0.61 -0.12 0.34 0.00 0.06 0.00 0.00 58.65 59.54 1ab3 h GLN 27 Cb 1.12 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.81 1ab3 h GLN 27 CO -0.41 0.58 0.83 0.28 -0.67 0.00 0.00 178.83 179.44 1ab3 h VAL 28 N 0.03 0.40 -0.19 -0.54 2.07 0.10 1.08 116.25 119.20 1ab3 h VAL 28 Ca 0.04 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1ab3 h VAL 28 Cb 0.46 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ab3 h VAL 28 CO 0.01 0.02 -0.11 0.00 0.02 0.00 0.00 177.57 177.52 1ab3 h ALA 29 N 1.47 0.27 0.00 1.67 0.00 -0.74 -1.83 119.26 120.09 1ab3 h ALA 29 Ca 0.61 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ab3 h ALA 29 Cb 2.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1ab3 h ALA 29 CO -0.12 0.11 0.00 1.47 0.00 0.00 0.00 179.25 180.71 1ab3 n LEU 30 N -4.56 0.43 0.12 0.00 -0.00 0.35 -1.30 117.00 112.03 1ab3 n LEU 30 Ca -0.05 0.64 -0.02 0.00 -0.00 0.00 0.00 56.01 56.58 1ab3 n LEU 30 Cb 0.33 -0.62 0.18 0.00 -0.00 0.00 0.00 43.42 43.31 1ab3 n LEU 30 CO 0.39 -0.60 0.54 0.17 -0.00 0.00 0.00 177.39 177.88 1ab3 h LEU 31 N 0.00 0.14 -0.11 1.47 8.10 0.15 -2.81 115.31 122.24 1ab3 h LEU 31 Ca 0.00 -0.07 -0.11 0.00 0.11 0.00 0.00 57.88 57.80 1ab3 h LEU 31 Cb 0.20 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1ab3 h LEU 31 CO 0.00 0.66 -0.37 0.00 -4.11 0.00 0.00 178.44 174.62 1ab3 h THR 32 N 0.09 1.38 0.27 0.15 1.03 -1.16 -2.98 112.91 111.69 1ab3 h THR 32 Ca -0.00 -1.69 -0.00 0.00 -0.01 0.00 0.00 66.41 64.70 1ab3 h THR 32 Cb 1.01 2.14 -0.01 0.00 -1.07 0.00 0.00 68.15 70.22 1ab3 h THR 32 CO 0.08 0.50 -0.23 0.25 -0.01 0.00 0.00 175.52 176.11 1ab3 h LEU 33 N 0.04 -0.61 -0.85 0.00 5.85 -1.54 -0.04 115.31 118.15 1ab3 h LEU 33 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ab3 h LEU 33 Cb 1.00 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ab3 h LEU 33 CO 0.08 -0.35 0.00 -1.14 -0.34 0.00 0.00 178.44 176.69 1ab3 n ARG 34 N -5.36 0.09 -0.09 1.25 3.00 -1.07 -2.08 116.66 112.40 1ab3 n ARG 34 Ca -0.09 0.57 -0.18 0.00 -0.00 0.00 0.00 57.85 58.15 1ab3 n ARG 34 Cb 0.27 -1.78 -0.12 0.00 0.00 0.00 0.00 32.46 30.83 1ab3 n ARG 34 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1ab3 h ILE 35 N 0.00 1.31 -0.39 5.15 5.03 -0.88 -3.12 117.51 124.61 1ab3 h ILE 35 Ca 0.00 -2.26 0.02 0.00 -0.12 0.00 0.00 64.86 62.51 1ab3 h ILE 35 Cb 0.01 2.74 -0.03 0.00 -3.03 0.00 0.00 36.82 36.52 1ab3 h ILE 35 CO 0.00 0.45 0.21 0.78 -0.68 0.00 0.00 178.15 178.91 1ab3 h ASN 36 N -0.99 0.33 -0.04 1.72 2.35 -0.72 -0.79 115.58 117.44 1ab3 h ASN 36 Ca -0.19 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1ab3 h ASN 36 Cb 1.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1ab3 h ASN 36 CO -0.12 0.24 0.00 0.54 -1.65 0.00 0.00 177.43 176.45 1ab3 n ARG 37 N -4.89 1.11 -0.02 0.81 1.74 -1.00 -3.33 116.66 111.08 1ab3 n ARG 37 Ca 0.01 -0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 56.73 1ab3 n ARG 37 Cb 0.07 -1.14 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.46 2.35 0.21 0.55 -0.00 -0.31 -4.11 117.00 115.23 1ab3 n LEU 38 Ca 0.06 0.19 0.12 0.00 -0.00 0.00 0.00 56.01 56.39 1ab3 n LEU 38 Cb 0.06 -0.86 0.20 0.00 -0.00 0.00 0.00 43.42 42.82 1ab3 n LEU 38 CO 0.05 0.79 0.82 -1.28 -0.00 0.00 0.00 177.39 177.77 1ab3 h SER 39 N 0.05 0.00 -0.29 1.96 0.87 -1.52 -3.13 113.55 111.48 1ab3 h SER 39 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1ab3 h SER 39 Cb 2.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1ab3 h SER 39 CO 0.06 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.74 1ab3 n GLU 40 N -3.03 2.72 0.00 2.24 4.71 -1.24 -3.72 120.64 122.32 1ab3 n GLU 40 Ca 0.04 -1.49 0.00 0.00 -0.01 0.00 0.00 57.16 55.70 1ab3 n GLU 40 Cb 0.52 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1ab3 n GLU 40 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1ab3 n HIS 41 N 0.34 0.00 0.75 -0.32 8.25 -1.18 -4.43 115.22 118.63 1ab3 n HIS 41 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.66 1ab3 n HIS 41 Cb 0.64 0.00 0.38 0.00 1.12 0.00 0.00 29.99 32.14 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 -0.82 0.00 -0.57 2.41 4.32 -1.26 -1.89 117.00 119.19 1ab3 n LEU 42 Ca 0.00 0.20 0.01 0.00 -0.02 0.00 0.00 56.01 56.20 1ab3 n LEU 42 Cb 0.00 -0.20 0.06 0.00 -1.62 0.00 0.00 43.42 41.67 1ab3 n LEU 42 CO 0.00 -0.11 0.42 0.29 -1.22 0.00 0.00 177.39 176.77 1ab3 n LYS 43 N -1.20 1.54 0.00 3.23 5.02 -1.24 -4.01 118.16 121.50 1ab3 n LYS 43 Ca 0.08 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1ab3 n LYS 43 Cb 0.09 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.03 0.00 -0.34 -0.18 0.31 -1.07 -5.02 118.33 112.05 1ab3 n VAL 44 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 1ab3 n VAL 44 Cb 0.31 -0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.51 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 -1.56 -2.86 0.00 3.52 8.25 -0.79 -4.98 115.22 116.80 1ab3 n HIS 45 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1ab3 n HIS 45 Cb 0.00 -1.45 0.00 0.00 1.12 0.00 0.00 29.99 29.66 1ab3 n HIS 45 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ab3 n LYS 46 N -5.03 0.00 0.00 -0.41 2.85 -1.26 -4.91 118.16 109.40 1ab3 n LYS 46 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1ab3 n LYS 46 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 1ab3 n LYS 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1ab3 n LYS 47 N 0.00 0.00 0.00 -1.58 2.85 -1.26 -5.05 118.16 113.12 1ab3 n LYS 47 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ab3 n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 -4.54 -5.58 2.03 -1.26 -5.07 116.55 102.13 1ab3 n ASP 48 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1ab3 n ASP 48 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1ab3 n ASP 48 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ab3 n HIS 49 N 0.00 0.86 -1.60 -0.67 -0.00 -1.26 -4.54 115.22 108.01 1ab3 n HIS 49 Ca 0.00 -0.01 0.06 0.00 0.46 0.00 0.00 57.72 58.23 1ab3 n HIS 49 Cb 0.00 -2.07 0.11 0.00 -0.12 0.00 0.00 29.99 27.91 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 15.26 0.00 -3.10 1.57 8.25 -1.26 -4.94 115.22 131.00 1ab3 n HIS 50 Ca 0.52 -0.80 0.05 0.00 -0.26 0.00 0.00 57.72 57.23 1ab3 n HIS 50 Cb 0.35 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ab3 s SER 51 N -2.39 -0.50 0.00 0.41 0.01 -1.26 -5.03 113.70 104.94 1ab3 s SER 51 Ca 0.26 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1ab3 s SER 51 Cb 0.25 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1ab3 s SER 51 CO -0.03 -0.09 0.00 1.57 0.41 0.00 0.00 173.24 175.11 1ab3 n HIS 52 N 4.93 0.00 0.12 2.43 -0.00 -1.26 -4.98 115.22 116.47 1ab3 n HIS 52 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.86 1ab3 n HIS 52 Cb 0.58 0.00 0.51 0.00 -0.00 0.00 0.00 29.99 31.08 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 0.29 0.00 1.57 9.65 -2.01 -3.39 114.38 120.49 1ab3 h ARG 53 Ca 0.00 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1ab3 h ARG 53 Cb 0.00 -0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 28.43 1ab3 h ARG 53 CO 0.00 0.21 0.23 0.41 2.80 0.00 0.00 179.97 183.62 1ab3 n GLY 54 N -1.45 -1.34 1.58 2.80 0.00 -1.26 -5.00 105.19 100.53 1ab3 n GLY 54 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.13 4.79 -0.10 0.99 4.77 -1.26 -3.88 117.00 122.19 1ab3 n LEU 55 Ca -0.23 -2.51 -0.13 0.00 -0.03 0.00 0.00 56.01 53.11 1ab3 n LEU 55 Cb 0.67 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1ab3 n LEU 55 CO -0.12 0.77 -1.13 0.18 -1.33 0.00 0.00 177.39 175.75 1ab3 n LEU 56 N -0.27 2.96 -0.05 2.23 4.77 -1.26 -4.37 117.00 121.00 1ab3 n LEU 56 Ca 0.28 -0.10 0.24 0.00 -0.03 0.00 0.00 56.01 56.40 1ab3 n LEU 56 Cb 1.05 -0.67 0.72 0.00 -2.33 0.00 0.00 43.42 42.19 1ab3 n LEU 56 CO 0.29 0.83 1.22 -0.03 -1.33 0.00 0.00 177.39 178.36 1ab3 h MET 57 N 0.00 0.00 0.17 3.23 4.05 -1.92 -0.36 114.93 120.09 1ab3 h MET 57 Ca -0.43 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.98 1ab3 h MET 57 Cb 1.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.48 1ab3 h MET 57 CO -0.07 0.00 -0.08 1.98 0.23 0.00 0.00 176.91 178.97 1ab3 h MET 58 N 0.00 -0.21 0.00 0.39 4.05 -1.82 -1.54 114.93 115.80 1ab3 h MET 58 Ca 0.32 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.74 1ab3 h MET 58 Cb 1.38 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.23 1ab3 h MET 58 CO -0.00 -0.10 -0.05 0.28 0.23 0.00 0.00 176.91 177.27 1ab3 h VAL 59 N -0.27 0.67 -1.31 -5.77 2.07 -1.31 -2.03 116.25 108.30 1ab3 h VAL 59 Ca -0.02 -0.18 -0.67 0.00 0.82 0.00 0.00 66.70 66.64 1ab3 h VAL 59 Cb 0.21 1.11 -0.33 0.00 -1.52 0.00 0.00 31.29 30.77 1ab3 h VAL 59 CO 0.04 0.05 0.43 0.61 0.02 0.00 0.00 177.57 178.71 1ab3 n GLY 60 N -1.18 5.89 0.54 2.17 0.00 -0.64 -4.35 105.19 107.61 1ab3 n GLY 60 Ca -0.03 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.72 0.00 -0.01 1.61 6.02 -0.76 -4.83 117.38 118.69 1ab3 n GLN 61 Ca 0.54 -0.77 0.01 0.00 -0.01 0.00 0.00 57.00 56.77 1ab3 n GLN 61 Cb 0.59 -0.34 -0.03 0.00 1.02 0.00 0.00 30.24 31.48 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 1.09 0.25 -1.09 0.63 -1.26 -4.00 116.66 112.30 1ab3 n ARG 62 Ca -0.00 -0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.03 1ab3 n ARG 62 Cb 0.66 -1.09 0.62 0.00 0.45 0.00 0.00 32.46 33.10 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 -0.06 -0.14 3.08 -1.88 -2.85 114.38 112.52 1ab3 h ARG 63 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ab3 h ARG 63 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ab3 h ARG 63 CO 0.00 0.15 0.00 0.54 -1.07 0.00 0.00 179.97 179.59 1ab3 n ARG 64 N -3.43 1.85 0.31 0.04 5.12 -1.26 -4.61 116.66 114.69 1ab3 n ARG 64 Ca -0.01 -1.34 0.20 0.00 -1.93 0.00 0.00 57.85 54.77 1ab3 n ARG 64 Cb 0.33 -1.07 1.07 0.00 -1.16 0.00 0.00 32.46 31.63 1ab3 n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1ab3 h LEU 65 N 0.55 0.00 -1.19 0.55 3.38 -1.63 -0.96 115.31 116.01 1ab3 h LEU 65 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ab3 h LEU 65 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ab3 h LEU 65 CO 0.00 0.00 0.23 0.17 0.09 0.00 0.00 178.44 178.93 1ab3 h LEU 66 N 0.00 0.73 -1.47 1.67 8.10 -1.81 -1.57 115.31 120.96 1ab3 h LEU 66 Ca 0.00 -0.08 0.05 0.00 0.11 0.00 0.00 57.88 57.95 1ab3 h LEU 66 Cb 0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.12 1ab3 h LEU 66 CO 0.00 0.65 0.58 0.08 -4.11 0.00 0.00 178.44 175.64 1ab3 h ARG 67 N 0.80 0.00 0.02 0.17 -0.00 -1.53 0.79 114.38 114.63 1ab3 h ARG 67 Ca 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.17 1ab3 h ARG 67 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.11 1ab3 h ARG 67 CO -0.02 0.00 -0.01 -0.92 -0.00 0.00 0.00 179.97 179.02 1ab3 h TYR 68 N 0.00 -0.02 0.01 4.08 3.20 -1.47 -3.32 116.97 119.45 1ab3 h TYR 68 Ca 0.08 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 1ab3 h TYR 68 Cb 1.24 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 1ab3 h TYR 68 CO 0.00 -0.01 -0.87 1.25 -1.64 0.00 0.00 178.16 176.88 1ab3 h LEU 69 N -0.47 0.03 -1.59 2.82 5.85 -1.50 -3.28 115.31 117.18 1ab3 h LEU 69 Ca -0.00 -0.70 0.07 0.00 0.84 0.00 0.00 57.88 58.08 1ab3 h LEU 69 Cb 0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ab3 h LEU 69 CO 0.00 1.35 0.56 -0.61 -0.34 0.00 0.00 178.44 179.40 1ab3 h GLN 70 N -0.94 0.00 0.15 1.25 -0.00 0.42 0.30 115.11 116.30 1ab3 h GLN 70 Ca -0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.11 1ab3 h GLN 70 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.73 1ab3 h GLN 70 CO -0.12 0.00 -1.50 0.00 0.00 0.00 0.00 178.83 177.21 1ab3 h ARG 71 N 0.00 0.32 -0.69 1.69 3.08 -1.61 -3.27 114.38 113.90 1ab3 h ARG 71 Ca 0.11 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1ab3 h ARG 71 Cb 1.22 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1ab3 h ARG 71 CO -0.00 1.21 0.00 0.39 -1.07 0.00 0.00 179.97 180.50 1ab3 n GLU 72 N -3.53 2.09 0.00 0.04 1.02 0.10 -4.73 120.64 115.63 1ab3 n GLU 72 Ca -0.16 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 1ab3 n GLU 72 Cb 1.05 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 0.21 0.00 0.14 1.62 8.00 -0.97 -4.98 116.55 120.56 1ab3 n ASP 73 Ca 0.09 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.60 1ab3 n ASP 73 Cb 0.46 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.83 -2.49 132.00 127.56 1ab3 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ab3 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ab3 h PRO 74 CO 0.00 0.59 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 1ab3 n GLU 75 N -3.51 0.16 0.09 0.86 1.02 -1.26 -2.20 120.64 115.80 1ab3 n GLU 75 Ca -0.00 0.24 0.06 0.00 -0.02 0.00 0.00 57.16 57.44 1ab3 n GLU 75 Cb 0.67 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 1ab3 n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ab3 h ARG 76 N 0.00 0.00 -1.85 3.49 3.08 -1.79 -3.34 114.38 113.97 1ab3 h ARG 76 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1ab3 h ARG 76 Cb 0.51 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1ab3 h ARG 76 CO 0.00 0.16 0.10 0.98 -1.07 0.00 0.00 179.97 180.15 1ab3 n TYR 77 N -2.85 0.67 -1.99 3.04 9.36 -0.93 -3.56 117.16 120.89 1ab3 n TYR 77 Ca -0.03 -1.51 0.00 0.00 3.32 0.00 0.00 57.90 59.68 1ab3 n TYR 77 Cb 0.68 -0.96 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 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 1.26 0.00 0.10 2.98 -4.01 -1.25 -4.88 116.66 110.85 1ab3 n ARG 78 Ca 0.23 -0.43 0.00 0.00 -1.04 0.00 0.00 57.85 56.62 1ab3 n ARG 78 Cb 0.61 -0.22 0.00 0.00 -3.04 0.00 0.00 32.46 29.81 1ab3 n ARG 78 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ab3 n ALA 79 N 0.00 3.00 0.54 2.89 0.00 -1.23 -4.75 120.51 120.95 1ab3 n ALA 79 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ab3 n ALA 79 Cb 0.58 0.07 0.29 0.00 0.00 0.00 0.00 19.45 20.39 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 -3.32 0.00 0.07 0.00 4.32 -1.26 -1.47 117.00 115.34 1ab3 n LEU 80 Ca 0.00 0.30 -0.09 0.00 -0.02 0.00 0.00 56.01 56.19 1ab3 n LEU 80 Cb 0.00 -0.30 0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1ab3 n LEU 80 CO 0.00 -0.18 0.32 0.16 -1.22 0.00 0.00 177.39 176.47 1ab3 h ILE 81 N 0.00 1.41 -0.01 -0.08 -0.00 -1.87 -2.71 117.51 114.25 1ab3 h ILE 81 Ca 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 64.86 62.59 1ab3 h ILE 81 Cb 0.12 2.22 0.00 0.00 -0.00 0.00 0.00 36.82 39.16 1ab3 h ILE 81 CO 0.00 0.67 -0.12 -0.62 -0.00 0.00 0.00 178.15 178.08 1ab3 n GLU 82 N -3.79 1.28 -0.73 0.16 -0.58 -0.54 -3.86 120.64 112.58 1ab3 n GLU 82 Ca -0.04 -0.75 0.06 0.00 -0.42 0.00 0.00 57.16 56.00 1ab3 n GLU 82 Cb 0.74 -1.48 0.16 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.20 1.20 0.10 3.49 5.02 -1.09 -4.89 118.16 121.79 1ab3 n LYS 83 Ca 0.16 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 1ab3 n LYS 83 Cb 0.35 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.79 -0.58 0.00 -0.35 4.77 -1.04 -4.98 117.00 114.03 1ab3 n LEU 84 Ca 0.16 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1ab3 n LEU 84 Cb 0.78 0.69 0.00 0.00 -2.33 0.00 0.00 43.42 42.56 1ab3 n LEU 84 CO -0.03 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 1ab3 n GLY 85 N 0.93 -0.04 0.00 -0.72 0.00 -1.26 -4.87 105.19 99.24 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 -4.93 119.36 112.69 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 -0.35 0.00 0.00 9.51 1.74 -1.26 -4.88 116.66 121.42 1ab3 n ARG 87 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1ab3 n ARG 87 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52