#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v48 s ILE 3 N 0.00 5.21 -0.17 0.52 -4.36 -1.26 -5.07 121.20 116.07 2v48 s ILE 3 Ca 0.00 0.69 -0.20 0.00 -0.26 0.00 0.00 60.65 60.88 2v48 s ILE 3 Cb 0.00 -3.67 -0.03 0.00 1.25 0.00 0.00 42.46 40.01 2v48 s ILE 3 CO 0.00 0.47 0.56 0.42 0.24 0.00 0.00 174.94 176.63 2v48 s THR 4 N -0.23 5.09 0.30 8.37 -4.23 -1.26 -4.95 115.64 118.73 2v48 s THR 4 Ca 0.21 1.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.84 2v48 s THR 4 Cb -0.15 -3.89 0.29 0.00 1.34 0.00 0.00 72.50 70.10 2v48 s THR 4 CO 0.08 0.19 1.70 0.11 -0.54 0.00 0.00 174.62 176.17 2v48 h LYS 5 N 7.26 0.43 0.15 3.99 1.57 -1.97 1.47 116.57 129.47 2v48 h LYS 5 Ca -0.35 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2v48 h LYS 5 Cb 1.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2v48 h LYS 5 CO 0.76 0.29 -0.07 0.93 -0.57 0.00 0.00 179.45 180.78 2v48 h GLU 6 N 0.45 -0.19 -0.26 3.15 3.07 -1.98 0.49 114.58 119.30 2v48 h GLU 6 Ca 0.58 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.46 2v48 h GLU 6 Cb 1.10 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 2v48 h GLU 6 CO -0.51 -0.07 0.16 1.49 -1.40 0.00 0.00 179.01 178.67 2v48 h GLU 7 N -0.26 0.31 -0.33 2.33 4.81 -1.16 0.27 114.58 120.56 2v48 h GLU 7 Ca -0.02 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2v48 h GLU 7 Cb 0.20 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2v48 h GLU 7 CO 0.03 0.21 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.25 2v48 h LYS 8 N 0.32 0.04 0.15 1.92 3.64 0.24 -1.06 116.57 121.82 2v48 h LYS 8 Ca 0.10 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2v48 h LYS 8 Cb -0.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2v48 h LYS 8 CO -0.05 0.03 -0.07 1.96 -2.27 0.00 0.00 179.45 179.05 2v48 h GLN 9 N 0.04 -0.19 -0.91 1.90 1.08 0.33 -0.34 115.11 117.01 2v48 h GLN 9 Ca 0.16 0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.60 2v48 h GLN 9 Cb 0.24 0.04 -0.17 0.00 -0.05 0.00 0.00 27.48 27.54 2v48 h GLN 9 CO -0.31 0.07 -0.07 1.17 -0.95 0.00 0.00 178.83 178.74 2v48 n LYS 10 N -5.06 -0.08 0.28 1.46 3.00 0.93 0.11 118.16 118.80 2v48 n LYS 10 Ca -0.09 1.38 -0.11 0.00 -0.00 0.00 0.00 58.31 59.50 2v48 n LYS 10 Cb 0.19 -2.15 -0.05 0.00 0.00 0.00 0.00 35.03 33.02 2v48 n LYS 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2v48 h VAL 11 N 0.00 0.00 -0.62 3.15 2.07 -0.80 -3.19 116.25 116.87 2v48 h VAL 11 Ca 0.51 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 68.04 2v48 h VAL 11 Cb 0.96 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 2v48 h VAL 11 CO -0.89 0.00 -0.38 0.40 0.02 0.00 0.00 177.57 176.73 2v48 h ILE 12 N -0.81 0.13 0.00 4.57 2.04 0.11 0.46 117.51 124.00 2v48 h ILE 12 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2v48 h ILE 12 Cb 0.55 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2v48 h ILE 12 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2v48 n GLN 13 N -5.43 0.32 0.00 2.37 6.02 0.30 -0.99 117.38 119.97 2v48 n GLN 13 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2v48 n GLN 13 Cb 0.36 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2v48 n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2v48 n GLU 14 N 0.42 3.55 -0.07 -1.09 4.07 0.16 -4.90 120.64 122.79 2v48 n GLU 14 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 2v48 n GLU 14 Cb 0.09 -0.34 -0.06 0.00 -0.06 0.00 0.00 31.44 31.08 2v48 n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2v48 n PHE 15 N -0.57 0.00 -0.66 4.31 3.01 -0.16 -5.07 117.46 118.32 2v48 n PHE 15 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 2v48 n PHE 15 Cb 0.00 -0.50 0.02 0.00 -0.01 0.00 0.00 39.48 38.99 2v48 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2v48 n ALA 16 N -3.16 -3.93 0.52 4.37 0.00 -1.20 -4.70 120.51 112.42 2v48 n ALA 16 Ca -0.25 -0.88 0.10 0.00 0.00 0.00 0.00 53.44 52.42 2v48 n ALA 16 Cb 0.73 -0.55 0.14 0.00 0.00 0.00 0.00 19.45 19.77 2v48 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2v48 n ARG 17 N 1.65 2.10 -3.64 0.00 5.12 -1.26 -4.97 116.66 115.66 2v48 n ARG 17 Ca -0.01 -1.94 -0.03 0.00 -1.93 0.00 0.00 57.85 53.94 2v48 n ARG 17 Cb 0.49 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 2v48 n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2v48 s PHE 18 N -1.51 -0.06 0.06 -1.55 -0.12 -1.26 -5.12 117.98 108.43 2v48 s PHE 18 Ca 0.29 0.12 -0.37 0.00 -0.05 0.00 0.00 56.93 56.92 2v48 s PHE 18 Cb 0.18 0.49 -0.18 0.00 -0.63 0.00 0.00 43.02 42.88 2v48 s PHE 18 CO 0.27 -0.04 1.05 -2.30 -0.05 0.00 0.00 175.22 174.15 2v48 n PRO 19 N 1.00 0.35 0.00 1.99 -0.02 -1.26 -3.77 135.00 133.29 2v48 n PRO 19 Ca -0.05 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2v48 n PRO 19 Cb 0.58 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 2v48 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2v48 n GLY 20 N 1.81 0.83 3.39 -1.23 0.00 -1.26 -5.02 105.19 103.71 2v48 n GLY 20 Ca 0.19 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2v48 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2v48 n ASP 21 N 0.00 -4.88 -0.14 1.61 4.64 -1.25 -4.78 116.55 111.76 2v48 n ASP 21 Ca 0.00 -0.31 0.06 0.00 -1.38 0.00 0.00 54.79 53.16 2v48 n ASP 21 Cb 0.00 -1.46 0.30 0.00 -1.04 0.00 0.00 41.12 38.92 2v48 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2v48 n THR 22 N -0.63 0.08 0.00 5.18 -2.24 -1.26 -4.76 114.28 110.65 2v48 n THR 22 Ca -0.13 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2v48 n THR 22 Cb 0.63 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2v48 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2v48 n GLY 23 N 0.77 3.12 0.39 3.38 0.00 -1.26 -4.94 105.19 106.64 2v48 n GLY 23 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2v48 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2v48 n SER 24 N 0.00 -2.39 0.07 1.61 2.88 -1.26 -3.86 113.62 110.67 2v48 n SER 24 Ca 0.00 0.40 -0.06 0.00 -1.33 0.00 0.00 58.87 57.88 2v48 n SER 24 Cb 0.00 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 2v48 n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2v48 h THR 25 N 0.19 0.00 0.00 2.46 2.02 -2.01 -0.78 112.91 114.79 2v48 h THR 25 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2v48 h THR 25 Cb 0.14 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2v48 h THR 25 CO 0.00 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.27 2v48 n GLU 26 N -3.35 0.00 -0.25 6.66 -0.58 -1.26 -0.03 120.64 121.84 2v48 n GLU 26 Ca -0.03 0.19 0.03 0.00 -0.42 0.00 0.00 57.16 56.93 2v48 n GLU 26 Cb 0.14 -0.44 0.12 0.00 -0.57 0.00 0.00 31.44 30.69 2v48 n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2v48 h VAL 27 N 0.00 0.33 0.00 2.62 2.07 -1.73 0.27 116.25 119.80 2v48 h VAL 27 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2v48 h VAL 27 Cb 0.00 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2v48 h VAL 27 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2v48 n GLN 28 N -5.39 0.00 0.00 1.57 6.02 -0.30 0.60 117.38 119.88 2v48 n GLN 28 Ca 0.11 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2v48 n GLN 28 Cb 0.42 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2v48 n GLN 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2v48 n VAL 29 N -2.03 0.00 -0.12 5.09 0.31 0.96 -0.18 118.33 122.37 2v48 n VAL 29 Ca 0.00 1.45 -0.03 0.00 -0.01 0.00 0.00 64.34 65.75 2v48 n VAL 29 Cb 0.00 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 30.96 2v48 n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2v48 n ALA 30 N -2.88 -0.18 -0.04 3.52 0.00 0.90 0.31 120.51 122.13 2v48 n ALA 30 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 2v48 n ALA 30 Cb 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 2v48 n ALA 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2v48 h LEU 31 N 0.00 -0.84 -1.31 0.00 5.85 0.12 0.67 115.31 119.80 2v48 h LEU 31 Ca 0.05 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.04 2v48 h LEU 31 Cb 0.12 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2v48 h LEU 31 CO -0.27 -0.20 0.84 -0.07 -0.34 0.00 0.00 178.44 178.39 2v48 h LEU 32 N -0.22 0.00 0.09 2.25 3.38 0.13 1.29 115.31 122.23 2v48 h LEU 32 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2v48 h LEU 32 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2v48 h LEU 32 CO -0.24 0.00 -0.04 0.74 0.09 0.00 0.00 178.44 178.98 2v48 h THR 33 N 0.00 0.93 0.00 0.22 2.02 0.49 -2.97 112.91 113.60 2v48 h THR 33 Ca 0.27 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2v48 h THR 33 Cb 1.94 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 2v48 h THR 33 CO -0.00 0.28 0.00 -0.11 0.37 0.00 0.00 175.52 176.05 2v48 n LEU 34 N -4.82 0.00 0.09 2.58 7.94 0.40 0.41 117.00 123.60 2v48 n LEU 34 Ca -0.07 0.50 0.12 0.00 -1.11 0.00 0.00 56.01 55.45 2v48 n LEU 34 Cb 0.27 -0.50 0.23 0.00 0.53 0.00 0.00 43.42 43.95 2v48 n LEU 34 CO 0.23 -0.38 0.53 0.03 -1.11 0.00 0.00 177.39 176.68 2v48 h ARG 35 N 0.00 0.00 0.00 1.96 3.08 -0.06 -3.40 114.38 115.96 2v48 h ARG 35 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2v48 h ARG 35 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2v48 h ARG 35 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 178.01 2v48 n ILE 36 N -2.30 0.00 -0.07 2.04 5.41 0.17 -4.20 119.36 120.41 2v48 n ILE 36 Ca 0.04 0.48 -0.00 0.00 1.00 0.00 0.00 62.75 64.27 2v48 n ILE 36 Cb 0.46 -1.46 0.01 0.00 -0.71 0.00 0.00 39.64 37.93 2v48 n ILE 36 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2v48 n ASN 37 N -2.13 -0.11 0.00 4.38 5.03 -1.14 0.94 115.26 122.23 2v48 n ASN 37 Ca 0.00 0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2v48 n ASN 37 Cb 0.00 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 2v48 n ASN 37 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2v48 n ARG 38 N -4.28 0.00 -0.34 3.52 5.12 -1.26 0.29 116.66 119.71 2v48 n ARG 38 Ca 0.02 0.57 0.25 0.00 -1.93 0.00 0.00 57.85 56.76 2v48 n ARG 38 Cb 0.08 -1.32 0.49 0.00 -1.16 0.00 0.00 32.46 30.55 2v48 n ARG 38 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2v48 h LEU 39 N 0.00 0.49 0.69 0.55 7.12 0.41 0.41 115.31 124.97 2v48 h LEU 39 Ca 0.00 0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 2v48 h LEU 39 Cb 0.00 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.25 2v48 h LEU 39 CO 0.00 -0.11 -0.42 -1.28 -0.13 0.00 0.00 178.44 176.50 2v48 h SER 40 N 0.32 -1.07 -0.20 1.25 0.87 0.35 -0.42 113.55 114.66 2v48 h SER 40 Ca 0.73 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 61.32 2v48 h SER 40 Cb 1.73 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 2v48 h SER 40 CO -0.55 -0.66 0.06 -0.08 -0.53 0.00 0.00 176.83 175.07 2v48 h GLU 41 N -1.05 0.39 0.07 2.24 4.57 0.22 -1.91 114.58 119.13 2v48 h GLU 41 Ca -0.09 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2v48 h GLU 41 Cb 0.84 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2v48 h GLU 41 CO 0.09 0.38 -0.07 1.25 -1.18 0.00 0.00 179.01 179.47 2v48 h HIS 42 N 0.39 -0.21 -0.11 0.92 -0.00 0.32 -1.94 115.15 114.52 2v48 h HIS 42 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 2v48 h HIS 42 Cb 0.17 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2v48 h HIS 42 CO 0.00 -0.10 0.23 -0.07 -0.00 0.00 0.00 177.93 177.99 2v48 h LEU 43 N -0.15 0.00 0.00 0.26 3.38 -1.01 0.78 115.31 118.57 2v48 h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2v48 h LEU 43 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2v48 h LEU 43 CO -0.01 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.69 2v48 n LYS 44 N -3.37 0.34 -0.00 1.13 4.81 -0.73 -1.12 118.16 119.23 2v48 n LYS 44 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2v48 n LYS 44 Cb 0.32 -1.48 -0.00 0.00 0.02 0.00 0.00 35.03 33.88 2v48 n LYS 44 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2v48 n VAL 45 N -0.98 0.03 -3.56 3.15 0.31 0.27 -4.86 118.33 112.68 2v48 n VAL 45 Ca 0.08 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.08 2v48 n VAL 45 Cb 0.04 -0.68 -0.07 0.00 -0.91 0.00 0.00 33.84 32.21 2v48 n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2v48 n HIS 46 N -2.34 3.59 -0.17 3.52 8.25 -0.27 -4.82 115.22 122.98 2v48 n HIS 46 Ca -0.01 -4.00 -0.00 0.00 -0.26 0.00 0.00 57.72 53.45 2v48 n HIS 46 Cb 0.51 -0.85 0.25 0.00 1.12 0.00 0.00 29.99 31.02 2v48 n HIS 46 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2v48 h LYS 47 N 5.21 0.89 -0.00 -0.41 -0.00 -1.79 -2.08 116.57 118.39 2v48 h LYS 47 Ca 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.74 2v48 h LYS 47 Cb 0.72 -0.18 -0.00 0.00 -0.00 0.00 0.00 32.23 32.77 2v48 h LYS 47 CO 0.88 0.65 0.00 0.87 -0.00 0.00 0.00 179.45 181.85 2v48 h LYS 48 N 0.90 0.00 -5.01 0.07 1.79 -1.88 -3.33 116.57 109.12 2v48 h LYS 48 Ca 0.23 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.99 2v48 h LYS 48 Cb 0.01 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.50 2v48 h LYS 48 CO -0.04 0.00 1.23 0.34 -1.08 0.00 0.00 179.45 179.90 2v48 s ASP 49 N -6.00 6.86 0.06 0.86 2.15 -0.78 -4.84 116.67 114.97 2v48 s ASP 49 Ca -0.05 -2.52 -0.18 0.00 0.43 0.00 0.00 52.55 50.24 2v48 s ASP 49 Cb 0.15 -2.42 -0.14 0.00 -0.30 0.00 0.00 42.92 40.20 2v48 s ASP 49 CO 0.53 -0.94 1.31 0.45 -0.17 0.00 0.00 175.17 176.35 2v48 h HIS 50 N 7.95 0.68 -0.37 -5.34 3.86 -1.83 -3.36 115.15 116.75 2v48 h HIS 50 Ca 0.26 -0.25 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2v48 h HIS 50 Cb 0.94 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 29.22 2v48 h HIS 50 CO 1.16 0.98 -0.35 0.45 0.86 0.00 0.00 177.93 181.04 2v48 h HIS 51 N 0.18 -1.08 -0.98 2.45 3.86 -1.95 0.22 115.15 117.85 2v48 h HIS 51 Ca 0.00 0.06 0.28 0.00 -1.16 0.00 0.00 60.37 59.56 2v48 h HIS 51 Cb 0.95 0.52 -0.18 0.00 1.06 0.00 0.00 27.41 29.76 2v48 h HIS 51 CO 0.10 -0.27 0.09 0.77 0.86 0.00 0.00 177.93 179.47 2v48 h SER 52 N -0.16 -0.38 -0.41 2.45 0.02 -2.00 1.00 113.55 114.07 2v48 h SER 52 Ca 0.06 0.27 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2v48 h SER 52 Cb 0.32 0.45 -0.08 0.00 0.14 0.00 0.00 62.40 63.23 2v48 h SER 52 CO -0.43 -0.35 -0.52 -0.74 -1.14 0.00 0.00 176.83 173.64 2v48 h HIS 53 N 0.02 -1.58 -1.10 3.45 6.17 -0.71 1.23 115.15 122.63 2v48 h HIS 53 Ca 0.62 0.08 0.30 0.00 0.71 0.00 0.00 60.37 62.08 2v48 h HIS 53 Cb 1.32 0.74 -0.10 0.00 2.52 0.00 0.00 27.41 31.90 2v48 h HIS 53 CO -0.44 -0.48 0.72 -0.09 0.71 0.00 0.00 177.93 178.35 2v48 h ARG 54 N -0.38 0.29 -0.06 5.26 2.43 0.15 1.69 114.38 123.75 2v48 h ARG 54 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2v48 h ARG 54 Cb 0.60 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2v48 h ARG 54 CO -0.59 0.19 0.02 0.78 -1.51 0.00 0.00 179.97 178.86 2v48 h GLY 55 N 0.30 0.10 0.24 2.80 0.00 0.18 -2.59 103.07 104.10 2v48 h GLY 55 Ca 0.63 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2v48 h GLY 55 CO -0.30 0.06 -0.32 -2.00 0.00 0.00 0.00 176.54 173.98 2v48 h LEU 56 N -0.12 -0.97 -0.95 3.11 6.46 0.65 0.17 115.31 123.66 2v48 h LEU 56 Ca 0.02 0.13 0.12 0.00 -0.12 0.00 0.00 57.88 58.04 2v48 h LEU 56 Cb 0.23 0.40 -0.14 0.00 -0.73 0.00 0.00 40.66 40.42 2v48 h LEU 56 CO -0.00 -0.37 -0.44 0.18 -0.62 0.00 0.00 178.44 177.19 2v48 n LEU 57 N -5.41 -0.77 -0.01 2.25 4.77 0.76 0.15 117.00 118.74 2v48 n LEU 57 Ca -0.04 1.67 -0.09 0.00 -0.03 0.00 0.00 56.01 57.51 2v48 n LEU 57 Cb 0.32 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2v48 n LEU 57 CO 0.18 -1.44 0.70 0.24 -1.33 0.00 0.00 177.39 175.73 2v48 h MET 58 N 0.00 -0.28 -1.00 3.23 2.86 -0.85 0.34 114.93 119.22 2v48 h MET 58 Ca 0.26 0.02 0.24 0.00 -2.06 0.00 0.00 59.70 58.16 2v48 h MET 58 Cb 0.50 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.14 2v48 h MET 58 CO -0.92 -0.19 0.64 0.52 1.06 0.00 0.00 176.91 178.02 2v48 h MET 59 N -0.29 0.43 0.19 1.72 2.86 0.33 0.75 114.93 120.92 2v48 h MET 59 Ca 0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2v48 h MET 59 Cb 0.45 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2v48 h MET 59 CO -0.32 0.29 -0.09 0.28 1.06 0.00 0.00 176.91 178.13 2v48 h VAL 60 N 0.45 0.00 -1.62 -2.22 2.07 0.22 -2.12 116.25 113.03 2v48 h VAL 60 Ca 0.56 -0.25 0.50 0.00 0.82 0.00 0.00 66.70 68.33 2v48 h VAL 60 Cb 1.34 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 2v48 h VAL 60 CO -0.28 0.00 1.12 0.61 0.02 0.00 0.00 177.57 179.05 2v48 n GLY 61 N 0.56 -0.87 0.18 2.17 0.00 0.97 0.20 105.19 108.39 2v48 n GLY 61 Ca -0.03 0.68 -0.08 0.00 0.00 0.00 0.00 46.02 46.59 2v48 n GLY 61 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2v48 h GLN 62 N 0.00 -0.36 -0.99 1.61 5.75 -0.88 -2.65 115.11 117.58 2v48 h GLN 62 Ca 0.86 0.02 0.31 0.00 -0.15 0.00 0.00 58.65 59.70 2v48 h GLN 62 Cb 3.18 0.08 -0.18 0.00 1.07 0.00 0.00 27.48 31.63 2v48 h GLN 62 CO -0.20 -0.13 0.17 -0.09 -2.65 0.00 0.00 178.83 175.93 2v48 h ARG 63 N -1.05 0.01 0.00 1.69 2.43 0.29 -1.84 114.38 115.92 2v48 h ARG 63 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2v48 h ARG 63 Cb 0.39 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2v48 h ARG 63 CO 0.06 0.01 0.00 -2.13 -1.51 0.00 0.00 179.97 176.40 2v48 n ARG 64 N -5.42 0.00 0.00 0.20 0.63 -0.06 -2.83 116.66 109.19 2v48 n ARG 64 Ca 0.27 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2v48 n ARG 64 Cb 0.91 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.65 2v48 n ARG 64 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2v48 n ARG 65 N -1.04 0.00 0.43 -0.14 3.00 -0.70 0.34 116.66 118.55 2v48 n ARG 65 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.67 2v48 n ARG 65 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 2v48 n ARG 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2v48 h LEU 66 N 0.00 -0.93 -0.83 0.55 4.07 -1.56 -2.39 115.31 114.22 2v48 h LEU 66 Ca 0.00 0.03 0.15 0.00 0.08 0.00 0.00 57.88 58.15 2v48 h LEU 66 Cb 0.00 0.24 -0.15 0.00 1.08 0.00 0.00 40.66 41.83 2v48 h LEU 66 CO 0.00 -0.66 -0.25 0.18 -1.08 0.00 0.00 178.44 176.63 2v48 n LEU 67 N -4.98 -0.38 0.08 1.67 4.77 0.15 0.16 117.00 118.46 2v48 n LEU 67 Ca -0.14 1.44 -0.12 0.00 -0.03 0.00 0.00 56.01 57.17 2v48 n LEU 67 Cb 0.43 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2v48 n LEU 67 CO 0.33 -1.35 0.77 -0.09 -1.33 0.00 0.00 177.39 175.72 2v48 h ARG 68 N 0.00 -0.25 -0.99 3.23 2.43 -1.48 0.75 114.38 118.07 2v48 h ARG 68 Ca 0.36 0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.80 2v48 h ARG 68 Cb 0.57 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 2v48 h ARG 68 CO -0.85 -0.17 0.66 -0.92 -1.51 0.00 0.00 179.97 177.19 2v48 h TYR 69 N -0.26 0.43 0.00 2.20 3.20 0.20 1.39 116.97 124.13 2v48 h TYR 69 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2v48 h TYR 69 Cb 0.29 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2v48 h TYR 69 CO -0.17 0.07 -0.03 1.25 -1.64 0.00 0.00 178.16 177.65 2v48 h LEU 70 N 0.29 0.02 -0.54 2.82 5.85 0.34 0.49 115.31 124.58 2v48 h LEU 70 Ca 0.52 -0.81 0.05 0.00 0.84 0.00 0.00 57.88 58.48 2v48 h LEU 70 Cb 1.51 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 2v48 h LEU 70 CO -0.17 0.83 0.27 -0.61 -0.34 0.00 0.00 178.44 178.42 2v48 h GLN 71 N -0.79 0.50 0.05 1.25 4.15 0.20 0.30 115.11 120.77 2v48 h GLN 71 Ca -0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2v48 h GLN 71 Cb 0.84 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 2v48 h GLN 71 CO 0.01 0.33 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.11 2v48 h ARG 72 N 0.51 -0.08 0.00 1.69 2.43 0.17 -3.03 114.38 116.08 2v48 h ARG 72 Ca 0.24 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2v48 h ARG 72 Cb 0.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2v48 h ARG 72 CO -0.18 -0.05 0.00 0.39 -1.51 0.00 0.00 179.97 178.62 2v48 n GLU 73 N -5.13 0.00 -3.97 0.20 -0.58 0.16 -4.63 120.64 106.69 2v48 n GLU 73 Ca -0.07 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.36 2v48 n GLU 73 Cb 0.06 -0.67 -0.14 0.00 -0.57 0.00 0.00 31.44 30.12 2v48 n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2v48 s ASP 74 N -2.00 4.45 0.58 1.62 2.15 0.93 -4.95 116.67 119.45 2v48 s ASP 74 Ca 0.00 -2.76 0.28 0.00 0.43 0.00 0.00 52.55 50.50 2v48 s ASP 74 Cb 0.00 -1.64 1.65 0.00 -0.30 0.00 0.00 42.92 42.64 2v48 s ASP 74 CO 0.00 -0.28 2.12 1.55 -0.17 0.00 0.00 175.17 178.39 2v48 h PRO 75 N 6.83 0.00 0.36 4.34 0.13 -1.56 -2.86 132.00 139.25 2v48 h PRO 75 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2v48 h PRO 75 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2v48 h PRO 75 CO 0.64 0.00 -0.30 1.49 -0.23 0.00 0.00 178.00 179.60 2v48 h GLU 76 N 0.00 -0.62 0.00 0.86 4.57 -1.89 0.12 114.58 117.61 2v48 h GLU 76 Ca 0.08 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2v48 h GLU 76 Cb 0.42 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2v48 h GLU 76 CO -0.00 -0.42 0.00 0.07 -1.18 0.00 0.00 179.01 177.48 2v48 h ARG 77 N -0.65 0.00 0.27 1.92 0.11 -1.92 -2.82 114.38 111.29 2v48 h ARG 77 Ca -0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2v48 h ARG 77 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2v48 h ARG 77 CO -0.01 0.00 -0.13 -0.92 0.10 0.00 0.00 179.97 179.02 2v48 h TYR 78 N 0.00 -0.33 -0.24 4.08 3.20 -1.26 0.28 116.97 122.69 2v48 h TYR 78 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2v48 h TYR 78 Cb 0.45 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2v48 h TYR 78 CO 0.00 0.03 0.70 0.00 -1.64 0.00 0.00 178.16 177.25 2v48 h ARG 79 N -0.90 0.00 0.00 1.82 3.08 -0.52 -2.04 114.38 115.81 2v48 h ARG 79 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2v48 h ARG 79 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2v48 h ARG 79 CO 0.06 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 2v48 n ALA 80 N -1.90 0.00 -0.03 0.04 0.00 -0.90 -3.89 120.51 113.83 2v48 n ALA 80 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2v48 n ALA 80 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.24 2v48 n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2v48 n LEU 81 N -0.87 -0.08 -0.30 0.00 7.94 0.92 0.13 117.00 124.73 2v48 n LEU 81 Ca 0.00 0.51 0.12 0.00 -1.11 0.00 0.00 56.01 55.53 2v48 n LEU 81 Cb 0.00 -0.21 0.27 0.00 0.53 0.00 0.00 43.42 44.01 2v48 n LEU 81 CO 0.00 -0.30 0.89 -0.29 -1.11 0.00 0.00 177.39 176.58 2v48 h ILE 82 N 0.00 0.25 -0.02 1.96 -0.00 -1.64 0.89 117.51 118.95 2v48 h ILE 82 Ca 0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 64.86 64.82 2v48 h ILE 82 Cb 0.03 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 36.95 2v48 h ILE 82 CO -0.07 0.03 0.01 1.21 -0.00 0.00 0.00 178.15 179.33 2v48 n GLU 83 N -5.31 1.06 -0.01 2.19 2.13 0.34 -1.40 120.64 119.64 2v48 n GLU 83 Ca 0.20 -0.08 -0.02 0.00 0.66 0.00 0.00 57.16 57.92 2v48 n GLU 83 Cb 0.67 -1.20 -0.01 0.00 0.27 0.00 0.00 31.44 31.17 2v48 n GLU 83 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2v48 n LYS 84 N 0.31 0.05 -0.02 5.31 5.02 0.31 -4.57 118.16 124.57 2v48 n LYS 84 Ca 0.01 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 2v48 n LYS 84 Cb 0.44 -0.87 0.57 0.00 -0.02 0.00 0.00 35.03 35.16 2v48 n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2v48 n LEU 85 N -2.78 1.10 -3.31 -0.35 4.77 -1.02 -4.96 117.00 110.46 2v48 n LEU 85 Ca -0.04 -0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 55.29 2v48 n LEU 85 Cb 0.54 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2v48 n LEU 85 CO 0.02 0.20 -0.12 0.61 -1.33 0.00 0.00 177.39 176.77 2v48 n GLY 86 N 1.09 -0.59 3.57 -0.72 0.00 -0.49 -4.99 105.19 103.06 2v48 n GLY 86 Ca 0.19 1.07 -0.27 0.00 0.00 0.00 0.00 46.02 47.01 2v48 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2v48 s ILE 87 N -2.14 2.03 0.26 -0.61 1.01 -1.11 -5.06 121.20 115.57 2v48 s ILE 87 Ca 0.26 -2.08 0.00 0.00 0.00 0.00 0.00 60.65 58.83 2v48 s ILE 87 Cb -0.04 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2v48 s ILE 87 CO 0.84 -0.09 0.00 0.54 0.00 0.00 0.00 174.94 176.23 2v48 n ARG 88 N -0.87 -2.63 0.00 2.79 1.74 -1.26 -4.92 116.66 111.51 2v48 n ARG 88 Ca -0.05 1.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.97 2v48 n ARG 88 Cb 0.66 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2v48 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52