#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 0.00 0.52 5.41 -1.26 -5.06 119.36 118.97 1ab3 n ILE 2 Ca 0.00 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1ab3 n ILE 2 Cb 0.00 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.04 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 0.00 0.00 0.24 1.39 5.66 -1.26 -4.92 114.28 115.38 1ab3 n THR 3 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 1ab3 n THR 3 Cb 0.00 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.34 1ab3 n THR 3 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ab3 h LYS 4 N 0.00 0.00 -0.44 1.09 3.64 -2.02 -1.03 116.57 117.80 1ab3 h LYS 4 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ab3 h LYS 4 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ab3 h LYS 4 CO 0.00 0.13 0.00 0.39 -2.27 0.00 0.00 179.45 177.70 1ab3 n GLU 5 N -4.33 1.87 0.00 1.90 1.02 -1.26 -3.48 120.64 116.36 1ab3 n GLU 5 Ca -0.03 -1.03 0.14 0.00 -0.02 0.00 0.00 57.16 56.22 1ab3 n GLU 5 Cb 0.20 -1.38 0.46 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.28 1.59 0.00 3.49 -0.58 -0.39 -3.96 120.64 121.06 1ab3 n GLU 6 Ca 0.09 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 1ab3 n GLU 6 Cb 0.34 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 0.15 0.00 -0.24 3.49 5.02 -1.23 -4.58 118.16 120.78 1ab3 n LYS 7 Ca 0.17 -0.11 0.32 0.00 -2.02 0.00 0.00 58.31 56.67 1ab3 n LYS 7 Cb 0.38 -0.49 0.71 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.00 0.00 1.97 3.07 -1.69 -3.35 115.11 115.12 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 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1ab3 h GLN 8 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.83 180.09 1ab3 n LYS 9 N -3.95 0.00 0.00 0.06 4.81 -1.26 -5.01 118.16 112.81 1ab3 n LYS 9 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1ab3 n LYS 9 Cb 1.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.23 1ab3 n LYS 9 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ab3 n VAL 10 N 0.00 0.00 -0.03 3.15 0.31 -1.26 -4.44 118.33 116.07 1ab3 n VAL 10 Ca 0.00 0.22 -0.20 0.00 -0.01 0.00 0.00 64.34 64.35 1ab3 n VAL 10 Cb 0.00 -0.94 -0.13 0.00 -0.91 0.00 0.00 33.84 31.86 1ab3 n VAL 10 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1ab3 h ILE 11 N 0.00 1.20 -1.58 2.52 -2.65 -1.87 -2.64 117.51 112.49 1ab3 h ILE 11 Ca 0.00 -2.35 0.49 0.00 1.03 0.00 0.00 64.86 64.03 1ab3 h ILE 11 Cb 0.00 2.78 -0.10 0.00 -2.05 0.00 0.00 36.82 37.45 1ab3 h ILE 11 CO 0.00 0.60 1.09 0.00 0.03 0.00 0.00 178.15 179.86 1ab3 n GLN 12 N -4.19 -0.02 -0.01 0.16 -0.00 -1.25 0.28 117.38 112.36 1ab3 n GLN 12 Ca -0.23 1.08 -0.21 0.00 -0.00 0.00 0.00 57.00 57.64 1ab3 n GLN 12 Cb 0.76 -2.31 -0.14 0.00 -0.00 0.00 0.00 30.24 28.55 1ab3 n GLN 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1ab3 n GLU 13 N -4.15 0.75 -0.02 2.61 0.00 -1.24 -4.66 120.64 113.93 1ab3 n GLU 13 Ca 0.40 0.25 -0.01 0.00 0.00 0.00 0.00 57.16 57.80 1ab3 n GLU 13 Cb 1.68 -1.70 -0.00 0.00 0.00 0.00 0.00 31.44 31.42 1ab3 n GLU 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1ab3 h PHE 14 N 0.07 0.00 -2.57 4.31 0.04 0.42 -3.45 116.94 115.76 1ab3 h PHE 14 Ca -0.44 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 59.79 1ab3 h PHE 14 Cb 2.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.17 1ab3 h PHE 14 CO 0.07 0.00 1.13 0.00 -0.60 0.00 0.00 178.31 178.91 1ab3 s ALA 15 N -2.93 3.54 -0.31 2.45 0.00 0.82 -4.84 121.76 120.47 1ab3 s ALA 15 Ca -0.03 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1ab3 s ALA 15 Cb 0.00 -3.79 0.47 0.00 0.00 0.00 0.00 23.12 19.80 1ab3 s ALA 15 CO 0.05 -1.54 1.64 2.89 0.00 0.00 0.00 175.76 178.79 1ab3 n ARG 16 N 7.32 1.88 -3.77 0.00 0.00 -1.26 -3.95 116.66 116.88 1ab3 n ARG 16 Ca 0.18 -2.09 -0.05 0.00 -0.00 0.00 0.00 57.85 55.89 1ab3 n ARG 16 Cb 0.43 -1.82 -0.02 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 -2.29 -0.18 -2.00 2.89 0.08 -1.26 -4.93 117.98 110.28 1ab3 s PHE 17 Ca 0.40 -0.17 0.21 0.00 0.12 0.00 0.00 56.93 57.49 1ab3 s PHE 17 Cb 0.33 0.66 1.26 0.00 -0.57 0.00 0.00 43.02 44.71 1ab3 s PHE 17 CO 0.08 -0.98 1.66 -0.35 -0.10 0.00 0.00 175.22 175.52 1ab3 n PRO 18 N -0.45 0.70 0.00 0.24 -0.04 -1.26 -2.85 135.00 131.34 1ab3 n PRO 18 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ab3 n PRO 18 Cb 0.60 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.25 1.24 0.55 0.00 -1.26 -4.80 105.19 100.06 1ab3 n GLY 19 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 3.51 0.04 1.61 9.92 -1.13 -3.58 116.55 126.91 1ab3 n ASP 20 Ca 0.00 -2.49 0.11 0.00 -0.53 0.00 0.00 54.79 51.88 1ab3 n ASP 20 Cb 0.39 -0.59 -0.10 0.00 -0.64 0.00 0.00 41.12 40.18 1ab3 n ASP 20 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ab3 n THR 21 N 0.34 0.25 1.02 -3.53 5.66 -1.26 -3.89 114.28 112.88 1ab3 n THR 21 Ca 0.15 -0.52 0.12 0.00 -3.05 0.00 0.00 64.05 60.75 1ab3 n THR 21 Cb 0.75 -0.14 0.23 0.00 -1.55 0.00 0.00 70.33 69.62 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 1.23 -1.16 3.14 1.09 0.00 -1.24 -4.27 105.19 103.98 1ab3 n GLY 22 Ca -0.02 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.41 -2.82 0.11 1.61 2.88 -1.25 -4.77 113.62 107.97 1ab3 n SER 23 Ca 0.06 -0.31 -0.02 0.00 -1.33 0.00 0.00 58.87 57.27 1ab3 n SER 23 Cb 0.34 -0.85 -0.01 0.00 -0.75 0.00 0.00 64.21 62.93 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 -2.46 1.30 0.53 2.46 2.02 -1.92 -3.07 112.91 111.75 1ab3 h THR 24 Ca -0.38 -2.72 -0.03 0.00 0.77 0.00 0.00 66.41 64.05 1ab3 h THR 24 Cb 1.08 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1ab3 h THR 24 CO 0.26 0.72 -0.25 -0.33 0.37 0.00 0.00 175.52 176.28 1ab3 h GLU 25 N 0.00 -0.68 -0.84 6.66 5.08 -1.93 -1.76 114.58 121.11 1ab3 h GLU 25 Ca -0.01 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.62 1ab3 h GLU 25 Cb 1.51 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.87 1ab3 h GLU 25 CO 0.09 -0.45 0.58 0.28 -1.00 0.00 0.00 179.01 178.52 1ab3 h VAL 26 N -1.19 0.64 -0.01 3.13 2.07 -1.81 -0.58 116.25 118.49 1ab3 h VAL 26 Ca -0.07 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ab3 h VAL 26 Cb 0.55 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1ab3 h VAL 26 CO 0.12 0.03 -0.01 1.56 0.02 0.00 0.00 177.57 179.29 1ab3 h GLN 27 N 0.17 0.03 -1.16 1.57 1.08 -1.45 -2.38 115.11 112.96 1ab3 h GLN 27 Ca 0.41 -0.02 0.33 0.00 -1.45 0.00 0.00 58.65 57.93 1ab3 h GLN 27 Cb 1.37 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.73 1ab3 h GLN 27 CO -0.07 0.52 0.80 0.28 -0.95 0.00 0.00 178.83 179.40 1ab3 h VAL 28 N -0.45 0.41 -0.22 -0.54 2.07 -0.18 1.10 116.25 118.44 1ab3 h VAL 28 Ca 0.00 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1ab3 h VAL 28 Cb 0.51 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ab3 h VAL 28 CO 0.00 0.03 -0.15 0.00 0.02 0.00 0.00 177.57 177.47 1ab3 h ALA 29 N 1.49 0.31 0.00 1.67 0.00 -1.08 -1.71 119.26 119.94 1ab3 h ALA 29 Ca 0.61 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ab3 h ALA 29 Cb 2.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1ab3 h ALA 29 CO -0.15 0.20 0.00 1.47 0.00 0.00 0.00 179.25 180.77 1ab3 n LEU 30 N -4.48 0.28 0.11 0.00 -0.00 0.35 -1.38 117.00 111.89 1ab3 n LEU 30 Ca -0.05 0.59 -0.03 0.00 -0.00 0.00 0.00 56.01 56.52 1ab3 n LEU 30 Cb 0.37 -0.57 0.16 0.00 -0.00 0.00 0.00 43.42 43.38 1ab3 n LEU 30 CO 0.41 -0.49 0.51 0.17 -0.00 0.00 0.00 177.39 177.99 1ab3 h LEU 31 N 0.00 0.14 -0.08 1.47 8.10 0.37 -2.70 115.31 122.60 1ab3 h LEU 31 Ca 0.00 -0.08 -0.07 0.00 0.11 0.00 0.00 57.88 57.85 1ab3 h LEU 31 Cb 0.21 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1ab3 h LEU 31 CO 0.00 0.69 -0.21 0.00 -4.11 0.00 0.00 178.44 174.81 1ab3 h THR 32 N 0.09 1.41 0.42 0.15 1.03 -1.19 -2.92 112.91 111.90 1ab3 h THR 32 Ca -0.00 -1.55 -0.01 0.00 -0.01 0.00 0.00 66.41 64.84 1ab3 h THR 32 Cb 1.06 2.21 -0.02 0.00 -1.07 0.00 0.00 68.15 70.34 1ab3 h THR 32 CO 0.08 0.44 -0.35 -0.07 -0.01 0.00 0.00 175.52 175.61 1ab3 h LEU 33 N -0.19 -0.93 -1.85 0.00 3.38 -1.55 0.40 115.31 114.57 1ab3 h LEU 33 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ab3 h LEU 33 Cb 0.82 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ab3 h LEU 33 CO 0.05 -0.51 0.25 0.03 0.09 0.00 0.00 178.44 178.34 1ab3 h ARG 34 N -0.77 0.00 0.10 1.13 3.08 -1.56 -1.39 114.38 114.96 1ab3 h ARG 34 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ab3 h ARG 34 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1ab3 h ARG 34 CO -0.02 0.00 -0.05 0.82 -1.07 0.00 0.00 179.97 179.65 1ab3 h ILE 35 N 0.00 0.81 -0.84 2.04 5.03 -0.73 -2.59 117.51 121.23 1ab3 h ILE 35 Ca 0.00 -1.35 -0.00 0.00 -0.12 0.00 0.00 64.86 63.39 1ab3 h ILE 35 Cb 0.49 1.45 -0.04 0.00 -3.03 0.00 0.00 36.82 35.69 1ab3 h ILE 35 CO 0.00 0.24 0.52 0.78 -0.68 0.00 0.00 178.15 179.02 1ab3 h ASN 36 N -0.94 1.00 -0.14 1.72 2.35 -0.68 -0.95 115.58 117.93 1ab3 h ASN 36 Ca -0.01 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ab3 h ASN 36 Cb 0.50 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1ab3 h ASN 36 CO 0.02 0.76 0.00 0.54 -1.65 0.00 0.00 177.43 177.10 1ab3 n ARG 37 N -4.45 1.32 -0.02 0.81 1.74 -0.71 -3.38 116.66 111.97 1ab3 n ARG 37 Ca 0.09 -0.50 -0.17 0.00 -0.77 0.00 0.00 57.85 56.50 1ab3 n ARG 37 Cb 0.05 -1.11 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 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 2.09 0.14 0.55 7.94 -0.37 -3.88 117.00 123.38 1ab3 n LEU 38 Ca 0.05 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1ab3 n LEU 38 Cb 0.12 -0.69 0.13 0.00 0.53 0.00 0.00 43.42 43.50 1ab3 n LEU 38 CO 0.03 0.72 0.47 -1.28 -1.11 0.00 0.00 177.39 176.23 1ab3 h SER 39 N 0.04 0.00 -0.33 1.96 0.87 -1.56 -2.97 113.55 111.57 1ab3 h SER 39 Ca -0.40 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1ab3 h SER 39 Cb 2.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 1ab3 h SER 39 CO 0.07 0.60 0.01 -0.62 -0.53 0.00 0.00 176.83 176.37 1ab3 n GLU 40 N -3.50 3.09 0.00 2.24 1.02 -1.25 -4.32 120.64 117.93 1ab3 n GLU 40 Ca 0.00 -1.73 -0.00 0.00 -0.02 0.00 0.00 57.16 55.41 1ab3 n GLU 40 Cb 0.68 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 2.13 -0.01 0.00 -0.32 2.76 -1.63 -3.30 115.15 114.79 1ab3 h HIS 41 Ca 0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ab3 h HIS 41 Cb 1.35 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1ab3 h HIS 41 CO 0.62 -0.00 0.00 1.28 -1.30 0.00 0.00 177.93 178.52 1ab3 n LEU 42 N -2.05 0.00 -0.84 0.26 4.32 -1.26 -1.73 117.00 115.70 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 0.12 0.00 -1.62 0.00 0.00 43.42 41.72 1ab3 n LEU 42 CO 0.00 -0.10 0.46 0.29 -1.22 0.00 0.00 177.39 176.82 1ab3 n LYS 43 N -1.20 2.07 0.00 3.23 4.76 -1.24 -4.06 118.16 121.72 1ab3 n LYS 43 Ca 0.09 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.60 1ab3 n LYS 43 Cb 0.10 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 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 0.18 0.00 -0.31 -0.18 0.31 -1.06 -5.05 118.33 112.22 1ab3 n VAL 44 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.30 1ab3 n VAL 44 Cb 0.48 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.52 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 -1.47 -2.09 0.00 3.52 8.25 -0.70 -4.98 115.22 117.75 1ab3 n HIS 45 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1ab3 n HIS 45 Cb 0.00 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.24 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 -1.46 0.00 0.00 -0.41 2.85 -1.26 -4.97 118.16 112.91 1ab3 n LYS 46 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1ab3 n LYS 46 Cb 0.21 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 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 -5.09 118.16 113.08 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 -3.01 -5.58 2.03 -1.26 -5.16 116.55 103.58 1ab3 n ASP 48 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ab3 n ASP 48 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 -1.43 -1.62 -0.67 8.25 -1.26 -3.92 115.22 114.57 1ab3 n HIS 49 Ca 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1ab3 n HIS 49 Cb 0.00 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.74 -0.17 0.00 4.41 -0.00 -1.26 -4.97 115.22 110.49 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 0.01 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.36 1ab3 n HIS 50 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ab3 n SER 51 N -0.38 -1.14 -1.85 0.41 3.41 -1.25 -3.85 113.62 108.97 1ab3 n SER 51 Ca -0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.26 1ab3 n SER 51 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1ab3 n SER 51 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ab3 n HIS 52 N -2.32 -0.36 -1.54 7.33 8.25 -1.26 -4.79 115.22 120.54 1ab3 n HIS 52 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1ab3 n HIS 52 Cb 0.00 -3.61 -0.12 0.00 1.12 0.00 0.00 29.99 27.39 1ab3 n HIS 52 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ab3 n ARG 53 N -2.61 0.42 -1.91 -0.41 1.74 -1.25 -1.76 116.66 110.88 1ab3 n ARG 53 Ca -0.22 -0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 56.35 1ab3 n ARG 53 Cb 0.68 -2.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 1ab3 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ab3 n GLY 54 N 6.28 0.27 1.65 -0.13 0.00 -1.26 -4.76 105.19 107.24 1ab3 n GLY 54 Ca 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.30 5.10 -0.09 0.99 4.32 -0.72 -3.91 117.00 120.39 1ab3 n LEU 55 Ca -0.13 -2.66 -0.12 0.00 -0.02 0.00 0.00 56.01 53.08 1ab3 n LEU 55 Cb 0.50 -0.73 -0.08 0.00 -1.62 0.00 0.00 43.42 41.49 1ab3 n LEU 55 CO 0.17 0.84 -1.07 0.18 -1.22 0.00 0.00 177.39 176.29 1ab3 n LEU 56 N -0.21 2.95 -0.44 2.23 4.77 -1.26 -4.45 117.00 120.60 1ab3 n LEU 56 Ca 0.30 -0.09 0.38 0.00 -0.03 0.00 0.00 56.01 56.57 1ab3 n LEU 56 Cb 1.00 -0.60 0.71 0.00 -2.33 0.00 0.00 43.42 42.20 1ab3 n LEU 56 CO 0.31 0.78 1.33 -0.03 -1.33 0.00 0.00 177.39 178.46 1ab3 h MET 57 N -0.01 0.08 0.07 3.23 4.05 -1.98 0.32 114.93 120.68 1ab3 h MET 57 Ca -0.39 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1ab3 h MET 57 Cb 1.59 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.38 1ab3 h MET 57 CO -0.06 0.05 -0.04 0.52 0.23 0.00 0.00 176.91 177.61 1ab3 h MET 58 N 0.08 -0.09 -0.13 0.39 2.86 -1.84 0.28 114.93 116.47 1ab3 h MET 58 Ca 0.71 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.35 1ab3 h MET 58 Cb 2.56 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 34.23 1ab3 h MET 58 CO -0.13 -0.06 0.08 0.28 1.06 0.00 0.00 176.91 178.13 1ab3 h VAL 59 N -0.10 1.08 0.00 -2.22 2.07 -0.64 -0.63 116.25 115.81 1ab3 h VAL 59 Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ab3 h VAL 59 Cb 0.08 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ab3 h VAL 59 CO 0.01 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1ab3 n GLY 60 N -0.95 -0.78 1.32 2.17 0.00 -0.93 -2.30 105.19 103.72 1ab3 n GLY 60 Ca -0.05 -0.07 0.02 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 -1.30 2.96 0.00 1.61 6.02 0.96 -4.11 117.38 123.52 1ab3 n GLN 61 Ca 0.07 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.34 1ab3 n GLN 61 Cb 0.12 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.49 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 0.25 0.00 0.12 -1.09 0.63 -0.97 -4.55 116.66 111.04 1ab3 n ARG 62 Ca 0.17 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.19 1ab3 n ARG 62 Cb 0.82 -0.20 0.44 0.00 0.45 0.00 0.00 32.46 33.97 1ab3 n ARG 62 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ab3 n ARG 63 N -1.33 0.11 -1.74 -0.14 0.00 -1.01 -2.89 116.66 109.67 1ab3 n ARG 63 Ca 0.00 0.58 -0.03 0.00 -0.00 0.00 0.00 57.85 58.40 1ab3 n ARG 63 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 32.46 30.63 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 -2.07 0.56 0.26 -0.14 1.74 -1.26 -4.92 116.66 110.83 1ab3 n ARG 64 Ca -0.01 -1.49 0.11 0.00 -0.77 0.00 0.00 57.85 55.69 1ab3 n ARG 64 Cb 0.05 0.17 0.73 0.00 -1.02 0.00 0.00 32.46 32.40 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 0.72 0.00 -1.41 0.55 6.46 -1.77 -0.24 115.31 119.62 1ab3 h LEU 65 Ca -0.43 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.28 1ab3 h LEU 65 Cb 1.45 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 1ab3 h LEU 65 CO -0.15 0.00 -0.14 0.17 -0.62 0.00 0.00 178.44 177.71 1ab3 h LEU 66 N 0.00 0.21 -1.35 2.25 8.10 -1.91 -1.54 115.31 121.07 1ab3 h LEU 66 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1ab3 h LEU 66 Cb 0.05 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1ab3 h LEU 66 CO -0.00 0.37 0.09 0.03 -4.11 0.00 0.00 178.44 174.82 1ab3 h ARG 67 N 0.21 0.00 0.00 0.17 2.47 -1.41 0.35 114.38 116.17 1ab3 h ARG 67 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1ab3 h ARG 67 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1ab3 h ARG 67 CO 0.02 0.00 0.00 0.98 0.56 0.00 0.00 179.97 181.53 1ab3 n TYR 68 N -2.24 0.00 0.25 3.04 9.36 -0.62 -4.47 117.16 122.47 1ab3 n TYR 68 Ca -0.01 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.11 1ab3 n TYR 68 Cb 0.12 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.78 1ab3 n TYR 68 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1ab3 h LEU 69 N 0.00 -0.55 -1.95 2.98 5.85 -1.55 -0.98 115.31 119.11 1ab3 h LEU 69 Ca 0.00 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.03 1ab3 h LEU 69 Cb 0.00 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1ab3 h LEU 69 CO 0.00 -0.35 0.78 -0.61 -0.34 0.00 0.00 178.44 177.92 1ab3 h GLN 70 N -0.73 0.00 -0.13 1.25 -0.00 -1.60 0.34 115.11 114.24 1ab3 h GLN 70 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.36 1ab3 h GLN 70 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.98 1ab3 h GLN 70 CO 0.11 0.00 -0.80 0.00 0.00 0.00 0.00 178.83 178.14 1ab3 h ARG 71 N 0.00 0.74 -0.74 1.69 2.47 0.04 -3.01 114.38 115.56 1ab3 h ARG 71 Ca 0.48 -0.62 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1ab3 h ARG 71 Cb 2.03 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.48 1ab3 h ARG 71 CO -0.01 1.23 0.00 0.39 0.56 0.00 0.00 179.97 182.14 1ab3 n GLU 72 N -3.91 2.71 0.00 0.04 1.02 0.11 -4.75 120.64 115.86 1ab3 n GLU 72 Ca -0.07 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 1ab3 n GLU 72 Cb 0.76 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.33 0.00 0.16 1.62 9.92 -0.73 -4.99 116.55 122.85 1ab3 n ASP 73 Ca 0.13 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.43 1ab3 n ASP 73 Cb 0.65 0.00 0.19 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 -0.01 -0.24 0.13 -1.82 -3.12 132.00 126.94 1ab3 h PRO 74 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1ab3 h PRO 74 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1ab3 h PRO 74 CO 0.00 0.46 -0.76 1.05 -0.23 0.00 0.00 178.00 178.52 1ab3 h GLU 75 N 0.00 0.52 0.00 0.86 4.11 -1.95 -2.76 114.58 115.36 1ab3 h GLU 75 Ca -0.00 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1ab3 h GLU 75 Cb 1.14 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ab3 h GLU 75 CO 0.06 1.18 0.00 0.00 0.07 0.00 0.00 179.01 180.32 1ab3 h ARG 76 N 0.09 0.00 -1.40 1.06 2.47 -1.89 -1.66 114.38 113.05 1ab3 h ARG 76 Ca -0.09 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.40 1ab3 h ARG 76 Cb 1.44 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.66 1ab3 h ARG 76 CO 0.15 0.00 0.29 0.98 0.56 0.00 0.00 179.97 181.95 1ab3 n TYR 77 N -2.49 1.16 -2.07 3.04 9.36 -1.04 -3.71 117.16 121.40 1ab3 n TYR 77 Ca -0.02 -1.47 -0.04 0.00 3.32 0.00 0.00 57.90 59.70 1ab3 n TYR 77 Cb 0.05 -0.72 -0.04 0.00 -0.63 0.00 0.00 39.34 38.00 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 0.36 0.00 0.03 2.98 1.85 -0.62 -4.88 116.66 116.38 1ab3 n ARG 78 Ca 0.23 -0.93 0.00 0.00 -1.00 0.00 0.00 57.85 56.14 1ab3 n ARG 78 Cb 0.69 0.27 0.00 0.00 -1.05 0.00 0.00 32.46 32.37 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 0.07 3.00 1.12 2.89 0.00 -1.24 -4.74 120.51 121.61 1ab3 n ALA 79 Ca -0.16 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1ab3 n ALA 79 Cb 0.72 0.04 0.55 0.00 0.00 0.00 0.00 19.45 20.76 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 -2.84 0.00 0.08 0.00 4.32 -1.26 -2.11 117.00 115.19 1ab3 n LEU 80 Ca 0.00 0.08 -0.07 0.00 -0.02 0.00 0.00 56.01 56.01 1ab3 n LEU 80 Cb 0.00 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 41.79 1ab3 n LEU 80 CO 0.00 -0.03 0.42 0.16 -1.22 0.00 0.00 177.39 176.71 1ab3 h ILE 81 N 0.00 1.40 -0.01 -0.08 -0.00 -1.86 -2.59 117.51 114.36 1ab3 h ILE 81 Ca 0.00 -2.11 0.00 0.00 -0.00 0.00 0.00 64.86 62.75 1ab3 h ILE 81 Cb 0.05 2.09 0.00 0.00 -0.00 0.00 0.00 36.82 38.97 1ab3 h ILE 81 CO 0.00 0.63 -0.04 -1.84 -0.00 0.00 0.00 178.15 176.90 1ab3 n GLU 82 N -3.83 1.59 -1.07 0.16 0.28 -0.90 -3.90 120.64 112.97 1ab3 n GLU 82 Ca -0.03 -0.96 0.03 0.00 -0.16 0.00 0.00 57.16 56.05 1ab3 n GLU 82 Cb 0.67 -1.48 0.13 0.00 1.43 0.00 0.00 31.44 32.18 1ab3 n GLU 82 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ab3 n LYS 83 N 0.13 1.15 0.15 3.44 5.02 -1.01 -4.89 118.16 122.15 1ab3 n LYS 83 Ca 0.18 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 1ab3 n LYS 83 Cb 0.37 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.51 -1.19 0.00 -0.35 4.77 -1.01 -4.98 117.00 113.72 1ab3 n LEU 84 Ca 0.15 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1ab3 n LEU 84 Cb 0.87 1.28 0.00 0.00 -2.33 0.00 0.00 43.42 43.24 1ab3 n LEU 84 CO -0.01 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 1ab3 n GLY 85 N 0.67 0.00 0.00 -0.72 0.00 -1.26 -4.94 105.19 98.93 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 -5.02 119.36 112.61 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 -0.41 0.00 0.00 9.51 1.74 -1.26 -5.05 116.66 121.18 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