#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 0.51 -0.42 0.52 -5.35 -1.26 -4.95 119.36 108.41 1ab3 n ILE 2 Ca 0.00 -0.09 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 1ab3 n ILE 2 Cb 0.00 -1.94 0.09 0.00 -1.74 0.00 0.00 39.64 36.05 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 4.93 0.00 0.48 7.28 5.66 -1.26 -4.81 114.28 126.56 1ab3 n THR 3 Ca 0.21 -0.09 -0.19 0.00 -3.05 0.00 0.00 64.05 60.92 1ab3 n THR 3 Cb 0.32 -0.75 -0.09 0.00 -1.55 0.00 0.00 70.33 68.26 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 -1.19 -0.68 1.09 1.57 -2.03 -2.74 116.57 112.59 1ab3 h LYS 4 Ca -0.14 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ab3 h LYS 4 Cb 0.44 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ab3 h LYS 4 CO 0.09 -0.79 0.00 0.39 -0.57 0.00 0.00 179.45 178.57 1ab3 n GLU 5 N -5.60 2.22 -0.10 3.15 -0.58 -1.26 -3.63 120.64 114.85 1ab3 n GLU 5 Ca -0.15 -1.11 0.10 0.00 -0.42 0.00 0.00 57.16 55.57 1ab3 n GLU 5 Cb 0.49 -1.62 0.35 0.00 -0.57 0.00 0.00 31.44 30.08 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 0.25 1.77 0.00 3.49 -0.58 -1.03 -4.19 120.64 120.36 1ab3 n GLU 6 Ca 0.10 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.67 1ab3 n GLU 6 Cb 0.50 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 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 0.40 0.00 -0.33 3.49 -0.00 -1.24 -4.69 118.16 115.79 1ab3 n LYS 7 Ca 0.16 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.54 1ab3 n LYS 7 Cb 0.34 -0.49 0.23 0.00 -0.00 0.00 0.00 35.03 35.11 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 0.81 0.00 -1.58 4.20 -1.73 0.45 115.11 117.26 1ab3 h GLN 8 Ca 0.00 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1ab3 h GLN 8 Cb 0.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1ab3 h GLN 8 CO 0.00 0.54 -0.69 0.87 -0.67 0.00 0.00 178.83 178.88 1ab3 h LYS 9 N 0.84 0.00 0.54 1.46 1.79 -1.89 -0.96 116.57 118.34 1ab3 h LYS 9 Ca 0.48 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.92 1ab3 h LYS 9 Cb 0.56 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1ab3 h LYS 9 CO -0.30 0.69 -0.26 0.28 -1.08 0.00 0.00 179.45 178.78 1ab3 h VAL 10 N 0.00 0.33 -0.23 0.50 2.07 -1.23 -3.06 116.25 114.63 1ab3 h VAL 10 Ca -0.01 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1ab3 h VAL 10 Cb 1.29 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1ab3 h VAL 10 CO 0.09 0.05 -0.15 0.16 0.02 0.00 0.00 177.57 177.74 1ab3 h ILE 11 N -1.00 1.31 -1.23 4.57 -2.65 -1.40 -1.28 117.51 115.83 1ab3 h ILE 11 Ca -0.07 -1.26 0.43 0.00 1.03 0.00 0.00 64.86 64.99 1ab3 h ILE 11 Cb 0.63 1.64 -0.13 0.00 -2.05 0.00 0.00 36.82 36.91 1ab3 h ILE 11 CO 0.12 0.39 0.78 0.00 0.03 0.00 0.00 178.15 179.47 1ab3 n GLN 12 N -4.47 -0.03 -0.01 0.16 1.13 -0.37 0.28 117.38 114.06 1ab3 n GLN 12 Ca -0.05 1.16 -0.16 0.00 -1.94 0.00 0.00 57.00 56.01 1ab3 n GLN 12 Cb 0.37 -2.26 -0.14 0.00 0.11 0.00 0.00 30.24 28.32 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1ab3 n GLU 13 N -4.58 0.71 -0.01 -1.09 2.13 -1.09 -4.65 120.64 112.07 1ab3 n GLU 13 Ca 0.37 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.44 1ab3 n GLU 13 Cb 1.41 -1.72 -0.00 0.00 0.27 0.00 0.00 31.44 31.40 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 0.04 0.00 -2.93 4.31 0.04 0.49 -3.46 116.94 115.43 1ab3 h PHE 14 Ca -0.39 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.85 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 0.05 0.00 0.80 0.00 -0.60 0.00 0.00 178.31 178.55 1ab3 s ALA 15 N -2.97 3.60 -0.38 2.45 0.00 0.79 -4.88 121.76 120.37 1ab3 s ALA 15 Ca -0.01 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.04 1ab3 s ALA 15 Cb 0.00 -3.58 0.60 0.00 0.00 0.00 0.00 23.12 20.14 1ab3 s ALA 15 CO 0.02 -0.78 1.75 2.89 0.00 0.00 0.00 175.76 179.64 1ab3 n ARG 16 N 4.65 2.48 -3.70 0.00 0.00 -1.26 -3.96 116.66 114.87 1ab3 n ARG 16 Ca 0.13 -2.61 -0.03 0.00 -0.00 0.00 0.00 57.85 55.34 1ab3 n ARG 16 Cb 0.43 -2.04 -0.01 0.00 -0.00 0.00 0.00 32.46 30.83 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 -2.78 -0.13 -2.00 2.89 0.08 -1.26 -4.94 117.98 109.85 1ab3 s PHE 17 Ca 0.49 -0.11 0.20 0.00 0.12 0.00 0.00 56.93 57.62 1ab3 s PHE 17 Cb 0.40 0.61 1.21 0.00 -0.57 0.00 0.00 43.02 44.67 1ab3 s PHE 17 CO 0.10 -0.67 1.61 -0.35 -0.10 0.00 0.00 175.22 175.82 1ab3 n PRO 18 N -0.45 0.70 0.00 0.24 -0.04 -1.26 -2.64 135.00 131.55 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 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.39 0.11 1.22 0.55 0.00 -1.26 -4.71 105.19 101.48 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 1.34 0.00 0.00 0.00 173.32 174.66 1ab3 n ASP 20 N -0.08 3.46 0.06 1.61 -0.08 -1.08 -3.67 116.55 116.77 1ab3 n ASP 20 Ca 0.00 -2.47 0.06 0.00 -1.51 0.00 0.00 54.79 50.86 1ab3 n ASP 20 Cb 0.11 -0.58 -0.05 0.00 2.34 0.00 0.00 41.12 42.94 1ab3 n ASP 20 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ab3 n THR 21 N 0.35 0.87 1.15 5.18 -2.24 -1.26 -3.68 114.28 114.65 1ab3 n THR 21 Ca 0.15 -0.62 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1ab3 n THR 21 Cb 0.74 -0.51 0.26 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.65 3.64 3.38 0.00 -1.24 -4.28 105.19 107.34 1ab3 n GLY 22 Ca -0.05 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.76 1.70 0.03 1.61 2.88 -1.24 -4.71 113.62 113.13 1ab3 n SER 23 Ca 0.10 1.07 0.22 0.00 -1.33 0.00 0.00 58.87 58.93 1ab3 n SER 23 Cb 0.36 -1.40 0.67 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.77 0.25 0.04 2.46 2.02 -1.93 -1.71 112.91 115.81 1ab3 h THR 24 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1ab3 h THR 24 Cb 1.32 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1ab3 h THR 24 CO 0.58 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 176.12 1ab3 h GLU 25 N 0.00 -0.05 -0.75 6.66 3.07 -1.93 -1.86 114.58 119.72 1ab3 h GLU 25 Ca 0.26 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.34 1ab3 h GLU 25 Cb 1.53 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.43 1ab3 h GLU 25 CO -0.00 -0.04 0.76 0.28 -1.40 0.00 0.00 179.01 178.61 1ab3 h VAL 26 N -0.09 0.26 0.16 3.13 2.07 -1.66 0.30 116.25 120.42 1ab3 h VAL 26 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ab3 h VAL 26 Cb 0.04 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1ab3 h VAL 26 CO 0.01 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.08 1ab3 h GLN 27 N 0.00 -0.21 -1.18 1.57 1.08 -1.27 -1.95 115.11 113.16 1ab3 h GLN 27 Ca 0.36 0.01 0.34 0.00 -1.45 0.00 0.00 58.65 57.91 1ab3 h GLN 27 Cb 1.86 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 29.28 1ab3 h GLN 27 CO -0.00 0.23 0.83 0.28 -0.95 0.00 0.00 178.83 179.21 1ab3 h VAL 28 N -0.83 0.41 -0.19 -0.54 2.07 -0.07 1.12 116.25 118.21 1ab3 h VAL 28 Ca -0.02 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1ab3 h VAL 28 Cb 0.53 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1ab3 h VAL 28 CO 0.04 0.02 -0.21 0.00 0.02 0.00 0.00 177.57 177.43 1ab3 h ALA 29 N 1.46 0.28 0.00 1.67 0.00 -1.24 -2.02 119.26 119.41 1ab3 h ALA 29 Ca 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ab3 h ALA 29 Cb 2.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1ab3 h ALA 29 CO -0.10 0.22 0.00 1.47 0.00 0.00 0.00 179.25 180.85 1ab3 n LEU 30 N -4.44 0.26 0.15 0.00 -0.00 0.35 -1.39 117.00 111.93 1ab3 n LEU 30 Ca -0.05 0.58 -0.00 0.00 -0.00 0.00 0.00 56.01 56.53 1ab3 n LEU 30 Cb 0.41 -0.56 0.20 0.00 -0.00 0.00 0.00 43.42 43.48 1ab3 n LEU 30 CO 0.41 -0.46 0.54 0.17 -0.00 0.00 0.00 177.39 178.05 1ab3 h LEU 31 N 0.00 0.00 0.07 1.47 8.10 0.18 -2.74 115.31 122.39 1ab3 h LEU 31 Ca 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1ab3 h LEU 31 Cb 0.22 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.45 1ab3 h LEU 31 CO 0.00 0.57 -0.64 0.00 -4.11 0.00 0.00 178.44 174.26 1ab3 h THR 32 N 0.00 1.50 0.58 0.15 1.03 -1.22 -3.16 112.91 111.80 1ab3 h THR 32 Ca -0.01 -2.31 -0.02 0.00 -0.01 0.00 0.00 66.41 64.06 1ab3 h THR 32 Cb 1.02 2.97 -0.01 0.00 -1.07 0.00 0.00 68.15 71.06 1ab3 h THR 32 CO 0.07 0.66 -0.42 0.25 -0.01 0.00 0.00 175.52 176.07 1ab3 h LEU 33 N -0.33 -1.08 -1.69 0.00 5.85 -1.52 0.06 115.31 116.61 1ab3 h LEU 33 Ca -0.10 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ab3 h LEU 33 Cb 1.43 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1ab3 h LEU 33 CO 0.12 -0.62 0.24 -0.09 -0.34 0.00 0.00 178.44 177.75 1ab3 h ARG 34 N -0.96 0.00 0.03 1.25 2.43 -1.63 -1.64 114.38 113.86 1ab3 h ARG 34 Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ab3 h ARG 34 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ab3 h ARG 34 CO 0.03 0.00 -0.01 0.82 -1.51 0.00 0.00 179.97 179.29 1ab3 h ILE 35 N 0.00 0.66 -0.84 1.20 2.04 -0.98 -2.92 117.51 116.68 1ab3 h ILE 35 Ca 0.00 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.43 1ab3 h ILE 35 Cb 0.48 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1ab3 h ILE 35 CO 0.00 0.22 0.55 0.78 0.00 0.00 0.00 178.15 179.70 1ab3 h ASN 36 N -0.99 0.97 -0.12 1.72 2.35 -0.45 -0.97 115.58 118.08 1ab3 h ASN 36 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1ab3 h ASN 36 Cb 0.39 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1ab3 h ASN 36 CO 0.01 0.71 0.00 0.54 -1.65 0.00 0.00 177.43 177.03 1ab3 n ARG 37 N -4.49 1.29 -0.01 0.81 5.12 -0.70 -3.41 116.66 115.27 1ab3 n ARG 37 Ca 0.09 -0.44 -0.19 0.00 -1.93 0.00 0.00 57.85 55.38 1ab3 n ARG 37 Cb 0.02 -1.10 -0.14 0.00 -1.16 0.00 0.00 32.46 30.08 1ab3 n ARG 37 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ab3 n LEU 38 N -0.14 2.36 0.15 0.55 -0.00 -0.37 -3.89 117.00 115.66 1ab3 n LEU 38 Ca 0.04 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1ab3 n LEU 38 Cb 0.11 -0.88 0.22 0.00 -0.00 0.00 0.00 43.42 42.87 1ab3 n LEU 38 CO 0.03 0.79 0.55 -1.28 -0.00 0.00 0.00 177.39 177.47 1ab3 h SER 39 N 0.05 0.00 -0.37 1.96 0.87 -1.57 -2.77 113.55 111.73 1ab3 h SER 39 Ca -0.42 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.10 1ab3 h SER 39 Cb 2.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.96 1ab3 h SER 39 CO 0.07 0.55 0.05 -0.62 -0.53 0.00 0.00 176.83 176.35 1ab3 n GLU 40 N -3.76 3.07 0.15 2.24 1.02 -1.25 -4.31 120.64 117.79 1ab3 n GLU 40 Ca -0.01 -1.82 -0.10 0.00 -0.02 0.00 0.00 57.16 55.21 1ab3 n GLU 40 Cb 0.58 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 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 2.09 -0.41 0.00 -0.32 2.76 -1.60 -3.07 115.15 114.60 1ab3 h HIS 41 Ca 0.05 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1ab3 h HIS 41 Cb 1.47 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.56 1ab3 h HIS 41 CO 0.68 -0.12 0.00 1.28 -1.30 0.00 0.00 177.93 178.47 1ab3 n LEU 42 N -5.08 0.00 -0.75 0.26 4.77 -1.26 -1.75 117.00 113.20 1ab3 n LEU 42 Ca -0.08 0.27 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 1ab3 n LEU 42 Cb 0.24 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1ab3 n LEU 42 CO 0.21 -0.14 0.44 0.29 -1.33 0.00 0.00 177.39 176.86 1ab3 n LYS 43 N -1.27 1.87 0.00 3.23 4.76 -1.16 -4.03 118.16 121.56 1ab3 n LYS 43 Ca 0.07 -0.77 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1ab3 n LYS 43 Cb 0.11 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 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 0.14 0.00 0.00 -0.18 0.31 -1.03 -5.01 118.33 112.56 1ab3 n VAL 44 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1ab3 n VAL 44 Cb 0.42 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.53 0.00 -2.07 3.52 8.25 -0.72 -4.95 115.22 117.72 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 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.53 -2.70 -1.99 -0.41 5.02 -1.26 -4.79 118.16 111.50 1ab3 n LYS 46 Ca 0.00 2.23 -0.02 0.00 -2.02 0.00 0.00 58.31 58.50 1ab3 n LYS 46 Cb 0.00 -3.27 0.01 0.00 -0.02 0.00 0.00 35.03 31.75 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 0.99 -0.53 -2.71 1.97 5.02 -1.26 -5.04 118.16 116.60 1ab3 n LYS 47 Ca -0.21 0.53 -0.05 0.00 -2.02 0.00 0.00 58.31 56.56 1ab3 n LYS 47 Cb 0.32 -2.78 0.05 0.00 -0.02 0.00 0.00 35.03 32.60 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 -1.62 -2.22 -3.60 4.39 2.03 -1.26 -5.15 116.55 109.11 1ab3 n ASP 48 Ca -0.01 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.98 1ab3 n ASP 48 Cb 0.52 1.26 0.00 0.00 -0.72 0.00 0.00 41.12 42.18 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 2.00 -0.92 -1.35 -0.67 8.25 -1.26 -4.31 115.22 116.95 1ab3 n HIS 49 Ca 0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 1ab3 n HIS 49 Cb 0.65 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.05 -0.05 -0.31 4.41 -0.00 -1.26 -5.01 115.22 111.96 1ab3 n HIS 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1ab3 n HIS 50 Cb 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 1ab3 n HIS 50 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ab3 n SER 51 N 0.62 -0.30 -1.93 0.41 7.64 -1.26 -4.27 113.62 114.53 1ab3 n SER 51 Ca -0.09 -0.31 -0.20 0.00 1.01 0.00 0.00 58.87 59.29 1ab3 n SER 51 Cb 0.31 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.25 -0.54 -0.95 1.43 -0.00 -1.26 -4.84 115.22 107.82 1ab3 n HIS 52 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1ab3 n HIS 52 Cb 0.00 -3.59 -0.05 0.00 -0.00 0.00 0.00 29.99 26.35 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 -2.69 1.78 0.00 1.57 5.12 -1.26 -4.31 116.66 116.87 1ab3 n ARG 53 Ca -0.22 -1.18 0.00 0.00 -1.93 0.00 0.00 57.85 54.52 1ab3 n ARG 53 Cb 0.66 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1ab3 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ab3 n GLY 54 N 1.33 0.98 0.00 -0.13 0.00 -1.26 -5.13 105.19 100.98 1ab3 n GLY 54 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.00 0.00 0.99 7.94 -1.26 -4.85 117.00 119.82 1ab3 n LEU 55 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ab3 n LEU 55 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ab3 n LEU 55 CO 0.00 -0.36 0.04 0.18 -1.11 0.00 0.00 177.39 176.14 1ab3 n LEU 56 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -4.43 117.00 114.12 1ab3 n LEU 56 Ca 0.00 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1ab3 n LEU 56 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ab3 n LEU 56 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.29 1ab3 n MET 57 N -0.15 0.00 0.28 3.23 2.81 -1.26 -2.45 117.12 119.58 1ab3 n MET 57 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 1ab3 n MET 57 Cb 0.00 0.00 0.66 0.00 -0.71 0.00 0.00 33.22 33.17 1ab3 n MET 57 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ab3 h MET 58 N 0.00 0.00 -0.51 0.03 -0.00 -1.93 -0.37 114.93 112.15 1ab3 h MET 58 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 59.70 59.79 1ab3 h MET 58 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.53 1ab3 h MET 58 CO 0.00 0.00 0.10 -0.24 -0.00 0.00 0.00 176.91 176.77 1ab3 h VAL 59 N 0.00 0.71 -0.68 -0.10 3.04 -1.79 -1.55 116.25 115.88 1ab3 h VAL 59 Ca 0.04 -0.08 -0.47 0.00 -1.01 0.00 0.00 66.70 65.18 1ab3 h VAL 59 Cb 1.03 0.45 -0.12 0.00 -2.01 0.00 0.00 31.29 30.64 1ab3 h VAL 59 CO -0.00 0.04 0.88 0.61 -1.01 0.00 0.00 177.57 178.09 1ab3 n GLY 60 N -1.29 4.11 0.68 3.17 0.00 -0.15 -3.75 105.19 107.97 1ab3 n GLY 60 Ca 0.06 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 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 1.75 0.00 0.00 1.61 6.02 -0.58 -4.89 117.38 121.29 1ab3 n GLN 61 Ca 0.53 -0.48 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 1ab3 n GLN 61 Cb 0.57 0.06 -0.13 0.00 1.02 0.00 0.00 30.24 31.76 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 0.03 0.45 0.25 -1.09 0.63 -1.25 -3.65 116.66 112.02 1ab3 n ARG 62 Ca -0.07 -0.12 -0.10 0.00 -0.92 0.00 0.00 57.85 56.64 1ab3 n ARG 62 Cb 0.61 -1.53 -0.05 0.00 0.45 0.00 0.00 32.46 31.94 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 -0.66 -0.07 -0.14 -0.00 -1.87 -3.15 114.38 108.49 1ab3 h ARG 63 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1ab3 h ARG 63 Cb 0.84 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.96 1ab3 h ARG 63 CO 0.00 -0.44 0.00 0.54 0.00 0.00 0.00 179.97 180.07 1ab3 n ARG 64 N -5.22 1.19 0.31 0.04 3.00 -1.26 -3.82 116.66 110.90 1ab3 n ARG 64 Ca -0.08 -0.30 0.17 0.00 -0.01 0.00 0.00 57.85 57.63 1ab3 n ARG 64 Cb 0.27 -1.17 1.00 0.00 0.00 0.00 0.00 32.46 32.56 1ab3 n ARG 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ab3 h LEU 65 N 0.52 0.00 -1.49 0.55 5.85 -1.61 -0.86 115.31 118.27 1ab3 h LEU 65 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ab3 h LEU 65 Cb 0.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1ab3 h LEU 65 CO 0.00 0.00 0.13 0.17 -0.34 0.00 0.00 178.44 178.40 1ab3 h LEU 66 N 0.00 0.42 -1.39 2.25 8.10 -1.78 -1.63 115.31 121.28 1ab3 h LEU 66 Ca 0.00 -0.04 0.06 0.00 0.11 0.00 0.00 57.88 58.02 1ab3 h LEU 66 Cb 0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.11 1ab3 h LEU 66 CO -0.00 0.39 0.63 -0.09 -4.11 0.00 0.00 178.44 175.26 1ab3 h ARG 67 N 0.47 0.00 0.00 0.17 1.12 -1.46 -0.25 114.38 114.43 1ab3 h ARG 67 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.99 1ab3 h ARG 67 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1ab3 h ARG 67 CO -0.01 0.00 0.00 0.66 -3.11 0.00 0.00 179.97 177.51 1ab3 n TYR 68 N -3.01 0.00 0.27 2.20 4.02 -0.61 -4.08 117.16 115.95 1ab3 n TYR 68 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.82 1ab3 n TYR 68 Cb 0.73 -0.07 -0.05 0.00 -0.02 0.00 0.00 39.34 39.92 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 -0.60 -1.50 7.72 5.85 -1.56 -2.42 115.31 122.80 1ab3 h LEU 69 Ca 0.00 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.96 1ab3 h LEU 69 Cb 0.00 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1ab3 h LEU 69 CO 0.00 -0.37 0.86 -0.61 -0.34 0.00 0.00 178.44 177.98 1ab3 h GLN 70 N -0.82 0.00 -0.08 1.25 -0.00 -1.23 0.37 115.11 114.60 1ab3 h GLN 70 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.43 1ab3 h GLN 70 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.03 1ab3 h GLN 70 CO 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 178.83 178.43 1ab3 h ARG 71 N 0.00 0.50 -0.57 1.69 2.47 -0.90 -3.06 114.38 114.50 1ab3 h ARG 71 Ca 0.36 -0.42 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1ab3 h ARG 71 Cb 2.07 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.48 1ab3 h ARG 71 CO -0.00 1.06 0.00 0.39 0.56 0.00 0.00 179.97 181.97 1ab3 n GLU 72 N -4.23 1.72 0.00 0.04 1.02 0.13 -4.65 120.64 114.67 1ab3 n GLU 72 Ca -0.08 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1ab3 n GLU 72 Cb 0.61 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1ab3 n GLU 72 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ab3 n ASP 73 N 0.10 0.00 0.10 1.62 5.68 -0.95 -5.00 116.55 118.10 1ab3 n ASP 73 Ca 0.07 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.31 1ab3 n ASP 73 Cb 0.33 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.36 1ab3 n ASP 73 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1ab3 h PRO 74 N 0.00 0.05 0.00 0.11 0.13 -1.80 -2.77 132.00 127.72 1ab3 h PRO 74 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1ab3 h PRO 74 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1ab3 h PRO 74 CO 0.00 0.81 -0.08 1.05 -0.23 0.00 0.00 178.00 179.54 1ab3 h GLU 75 N 0.03 0.00 0.00 0.86 4.11 -1.96 -2.51 114.58 115.11 1ab3 h GLU 75 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ab3 h GLU 75 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1ab3 h GLU 75 CO 0.11 0.08 -0.08 0.00 0.07 0.00 0.00 179.01 179.19 1ab3 h ARG 76 N 0.00 0.00 -1.87 1.06 3.08 -1.86 -3.29 114.38 111.50 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 0.86 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.83 1ab3 h ARG 76 CO 0.01 0.00 0.07 0.98 -1.07 0.00 0.00 179.97 179.97 1ab3 n TYR 77 N -2.90 0.63 -1.30 3.04 9.36 -0.94 -3.53 117.16 121.51 1ab3 n TYR 77 Ca 0.04 -1.50 0.00 0.00 3.32 0.00 0.00 57.90 59.76 1ab3 n TYR 77 Cb 0.51 -0.99 0.00 0.00 -0.63 0.00 0.00 39.34 38.23 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 1.34 0.00 0.05 2.98 -4.01 -1.24 -4.84 116.66 110.94 1ab3 n ARG 78 Ca 0.24 -0.43 0.00 0.00 -1.04 0.00 0.00 57.85 56.63 1ab3 n ARG 78 Cb 0.62 -0.39 0.00 0.00 -3.04 0.00 0.00 32.46 29.65 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 0.31 2.89 0.00 -1.23 -4.70 120.51 120.78 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 0.51 0.15 0.19 0.00 0.00 0.00 0.00 19.45 20.31 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 -3.02 0.00 0.08 0.00 4.32 -1.26 -0.79 117.00 116.33 1ab3 n LEU 80 Ca 0.00 0.50 -0.10 0.00 -0.02 0.00 0.00 56.01 56.38 1ab3 n LEU 80 Cb 0.11 -0.50 -0.10 0.00 -1.62 0.00 0.00 43.42 41.32 1ab3 n LEU 80 CO 0.00 -0.35 0.11 0.16 -1.22 0.00 0.00 177.39 176.09 1ab3 h ILE 81 N 0.00 1.58 -0.01 -0.08 -0.00 -1.86 -2.94 117.51 114.20 1ab3 h ILE 81 Ca 0.00 -3.08 0.00 0.00 -0.00 0.00 0.00 64.86 61.78 1ab3 h ILE 81 Cb 0.15 2.78 0.00 0.00 -0.00 0.00 0.00 36.82 39.75 1ab3 h ILE 81 CO 0.00 0.89 -0.24 -0.62 -0.00 0.00 0.00 178.15 178.18 1ab3 n GLU 82 N -3.50 0.96 -1.01 0.16 1.02 0.03 -3.88 120.64 114.42 1ab3 n GLU 82 Ca -0.04 -0.59 0.02 0.00 -0.02 0.00 0.00 57.16 56.53 1ab3 n GLU 82 Cb 0.93 -1.49 0.15 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.51 1.57 0.14 3.49 5.02 -0.79 -4.88 118.16 122.21 1ab3 n LYS 83 Ca 0.13 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 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 -0.76 -1.17 0.00 -0.35 4.77 -1.12 -4.91 117.00 113.46 1ab3 n LEU 84 Ca 0.19 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1ab3 n LEU 84 Cb 0.81 1.25 0.00 0.00 -2.33 0.00 0.00 43.42 43.15 1ab3 n LEU 84 CO 0.02 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1ab3 n GLY 85 N 0.62 -0.00 0.00 -0.72 0.00 -1.26 -4.96 105.19 98.88 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 -4.80 119.36 112.83 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 -0.27 0.00 0.00 -0.84 0.00 0.00 39.64 38.53 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 -0.29 0.00 0.00 9.51 5.12 -1.26 -4.77 116.66 124.97 1ab3 n ARG 87 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ab3 n ARG 87 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1ab3 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11