#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d55 s SER 2 N 0.00 -0.11 0.01 3.17 1.04 -1.26 -0.44 113.70 116.12 3d55 s SER 2 Ca 0.00 0.30 -0.21 0.00 0.48 0.00 0.00 55.95 56.52 3d55 s SER 2 Cb 0.00 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.35 3d55 s SER 2 CO 0.00 -0.15 0.48 0.27 0.98 0.00 0.00 173.24 174.82 3d55 s ILE 3 N 1.17 0.04 0.46 -1.02 -4.36 0.74 -4.99 121.20 113.23 3d55 s ILE 3 Ca -0.09 -0.31 -0.24 0.00 -0.26 0.00 0.00 60.65 59.75 3d55 s ILE 3 Cb -0.11 -0.90 -0.09 0.00 1.25 0.00 0.00 42.46 42.61 3d55 s ILE 3 CO -0.06 -0.17 1.15 -1.54 0.24 0.00 0.00 174.94 174.56 3d55 n SER 4 N 0.71 1.90 -0.27 4.36 3.41 -1.26 -1.65 113.62 120.81 3d55 n SER 4 Ca -0.19 1.02 0.26 0.00 -0.26 0.00 0.00 58.87 59.70 3d55 n SER 4 Cb 0.59 -1.45 0.61 0.00 -0.26 0.00 0.00 64.21 63.70 3d55 n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d55 h ALA 5 N 1.59 2.55 0.06 7.33 0.00 -1.01 0.10 119.26 129.88 3d55 h ALA 5 Ca -0.47 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3d55 h ALA 5 Cb 1.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3d55 h ALA 5 CO 0.57 -0.87 -0.03 0.77 0.00 0.00 0.00 179.25 179.69 3d55 h SER 6 N 0.23 -0.07 0.13 0.00 0.02 -1.88 0.83 113.55 112.81 3d55 h SER 6 Ca 0.52 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3d55 h SER 6 Cb 1.62 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 3d55 h SER 6 CO -0.14 0.22 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.24 3d55 h GLU 7 N -0.37 0.15 -0.13 3.45 4.39 -1.66 -3.20 114.58 117.20 3d55 h GLU 7 Ca -0.01 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.43 3d55 h GLU 7 Cb 0.32 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3d55 h GLU 7 CO 0.01 0.35 -0.79 0.00 -1.16 0.00 0.00 179.01 177.43 3d55 h ALA 8 N 1.66 0.34 -0.70 3.43 0.00 -0.54 -2.86 119.26 120.59 3d55 h ALA 8 Ca 0.03 -0.61 0.19 0.00 0.00 0.00 0.00 54.91 54.51 3d55 h ALA 8 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3d55 h ALA 8 CO 0.03 0.70 0.49 -0.09 0.00 0.00 0.00 179.25 180.38 3d55 h ARG 9 N 0.49 0.09 -0.01 0.00 2.43 -0.83 -1.45 114.38 115.10 3d55 h ARG 9 Ca -0.05 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 3d55 h ARG 9 Cb 1.41 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.95 3d55 h ARG 9 CO 0.16 0.06 -0.95 1.96 -1.51 0.00 0.00 179.97 179.69 3d55 h GLN 10 N 0.09 0.47 -0.60 0.20 1.08 -1.56 -3.39 115.11 111.40 3d55 h GLN 10 Ca 0.34 -0.50 -0.32 0.00 -1.45 0.00 0.00 58.65 56.72 3d55 h GLN 10 Cb 1.21 0.14 -0.19 0.00 -0.05 0.00 0.00 27.48 28.59 3d55 h GLN 10 CO -0.03 1.14 0.20 0.54 -0.95 0.00 0.00 178.83 179.73 3d55 n ARG 11 N -3.77 2.00 -0.01 1.46 1.74 -0.58 -4.74 116.66 112.77 3d55 n ARG 11 Ca -0.07 -3.14 -0.13 0.00 -0.77 0.00 0.00 57.85 53.74 3d55 n ARG 11 Cb 0.84 -1.96 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 3d55 n ARG 11 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3d55 h LEU 12 N 1.01 0.03 -0.19 0.55 5.85 -1.68 -1.63 115.31 119.26 3d55 h LEU 12 Ca 0.39 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3d55 h LEU 12 Cb 2.11 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 43.08 3d55 h LEU 12 CO 0.67 0.39 -0.39 -0.26 -0.34 0.00 0.00 178.44 178.51 3d55 h PHE 13 N -0.32 -1.18 0.00 1.25 0.04 -1.90 -0.40 116.94 114.43 3d55 h PHE 13 Ca 0.00 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3d55 h PHE 13 Cb 0.37 0.54 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 3d55 h PHE 13 CO 0.05 -0.37 -0.12 -1.00 -0.60 0.00 0.00 178.31 176.27 3d55 h PRO 14 N -0.35 0.00 -0.44 1.51 0.13 -1.91 -1.64 132.00 129.30 3d55 h PRO 14 Ca 0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 3d55 h PRO 14 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3d55 h PRO 14 CO -0.37 0.12 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.37 3d55 h LEU 15 N 0.00 0.83 -0.33 1.56 3.38 -1.03 0.22 115.31 119.94 3d55 h LEU 15 Ca -0.00 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3d55 h LEU 15 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3d55 h LEU 15 CO 0.02 0.98 -0.14 0.40 0.09 0.00 0.00 178.44 179.79 3d55 h ILE 16 N 0.66 1.29 -0.60 1.22 2.04 -0.75 -0.89 117.51 120.47 3d55 h ILE 16 Ca 0.11 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.83 3d55 h ILE 16 Cb 0.61 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 38.01 3d55 h ILE 16 CO 0.04 0.40 0.20 -0.08 0.00 0.00 0.00 178.15 178.71 3d55 h GLU 17 N 0.45 0.36 -0.08 2.37 4.81 -1.24 -2.70 114.58 118.55 3d55 h GLU 17 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3d55 h GLU 17 Cb 0.67 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3d55 h GLU 17 CO 0.04 0.23 -0.14 0.37 -0.73 0.00 0.00 179.01 178.79 3d55 h GLN 18 N 0.37 -0.18 -0.05 1.92 4.15 -0.34 -2.38 115.11 118.59 3d55 h GLN 18 Ca 0.30 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.63 3d55 h GLN 18 Cb 0.39 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3d55 h GLN 18 CO -0.33 -0.12 -0.45 -0.24 -1.93 0.00 0.00 178.83 175.76 3d55 h VAL 19 N -0.19 1.33 0.00 2.39 3.04 -1.15 -1.28 116.25 120.39 3d55 h VAL 19 Ca 0.07 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.17 3d55 h VAL 19 Cb 0.30 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 3d55 h VAL 19 CO -0.19 0.47 0.00 0.59 -1.01 0.00 0.00 177.57 177.42 3d55 n ASN 20 N -4.00 0.07 -0.10 3.17 3.02 -1.02 -1.80 115.26 114.61 3d55 n ASN 20 Ca -0.02 0.51 -0.14 0.00 -0.03 0.00 0.00 54.58 54.91 3d55 n ASN 20 Cb 0.49 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 3d55 n ASN 20 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3d55 n THR 21 N -1.57 1.48 1.01 3.41 -1.04 -0.73 -4.70 114.28 112.15 3d55 n THR 21 Ca 0.07 0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.21 3d55 n THR 21 Cb 0.34 -2.21 0.13 0.00 -1.82 0.00 0.00 70.33 66.77 3d55 n THR 21 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3d55 n ASP 22 N -4.37 0.72 -1.36 8.00 5.68 -0.56 -4.94 116.55 119.72 3d55 n ASP 22 Ca -0.23 -0.56 -0.16 0.00 -0.50 0.00 0.00 54.79 53.35 3d55 n ASP 22 Cb 0.59 0.50 -0.05 0.00 -1.14 0.00 0.00 41.12 41.02 3d55 n ASP 22 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3d55 n HIS 23 N -1.43 -0.21 -4.14 2.11 8.25 -0.75 -4.94 115.22 114.12 3d55 n HIS 23 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 3d55 n HIS 23 Cb 0.34 -2.86 -0.08 0.00 1.12 0.00 0.00 29.99 28.50 3d55 n HIS 23 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3d55 s GLN 24 N -3.73 3.30 0.53 -0.41 -1.52 -1.26 -4.97 119.66 111.59 3d55 s GLN 24 Ca 0.00 -0.30 -0.20 0.00 -1.95 0.00 0.00 55.36 52.91 3d55 s GLN 24 Cb 0.00 -3.00 -0.06 0.00 -0.22 0.00 0.00 33.01 29.73 3d55 s GLN 24 CO 0.00 0.67 1.13 -2.14 -0.25 0.00 0.00 175.29 174.70 3d55 s PRO 25 N -0.75 3.44 -0.21 2.91 0.02 -1.26 -4.51 135.00 134.63 3d55 s PRO 25 Ca 0.12 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 62.72 3d55 s PRO 25 Cb -0.12 -2.07 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 3d55 s PRO 25 CO 0.03 -0.78 -0.00 0.08 -0.33 0.00 0.00 177.00 175.99 3d55 s VAL 26 N -1.74 3.82 -0.34 3.83 1.01 0.34 -2.96 120.40 124.36 3d55 s VAL 26 Ca 0.71 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 3d55 s VAL 26 Cb -0.24 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3d55 s VAL 26 CO 0.28 0.41 1.14 -0.60 0.00 0.00 0.00 175.10 176.33 3d55 s ARG 27 N 1.25 3.97 -0.39 2.72 3.52 0.42 -0.90 118.95 129.55 3d55 s ARG 27 Ca 0.03 1.04 -0.13 0.00 -0.13 0.00 0.00 55.73 56.54 3d55 s ARG 27 Cb -0.15 -3.80 0.02 0.00 -1.56 0.00 0.00 34.95 29.46 3d55 s ARG 27 CO 0.01 -1.03 0.26 0.42 -0.81 0.00 0.00 175.30 174.14 3d55 s ILE 28 N 3.97 5.05 0.38 4.11 1.01 0.72 -0.19 121.20 136.25 3d55 s ILE 28 Ca 0.49 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 3d55 s ILE 28 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3d55 s ILE 28 CO 0.20 -0.23 0.59 0.42 0.00 0.00 0.00 174.94 175.92 3d55 s THR 29 N 1.65 4.93 -0.24 2.92 -4.23 -0.66 -0.41 115.64 119.59 3d55 s THR 29 Ca 0.04 -0.39 -0.30 0.00 -1.18 0.00 0.00 61.69 59.86 3d55 s THR 29 Cb -0.19 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.01 3d55 s THR 29 CO 0.09 -0.56 1.23 -0.55 -0.54 0.00 0.00 174.62 174.29 3d55 s SER 30 N -4.07 -0.15 0.17 3.99 0.15 -1.14 -0.38 113.70 112.27 3d55 s SER 30 Ca 0.42 0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.14 3d55 s SER 30 Cb -0.10 0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.38 3d55 s SER 30 CO 0.37 -0.14 1.61 0.03 1.20 0.00 0.00 173.24 176.31 3d55 h ARG 31 N 2.23 1.04 -0.97 5.44 -0.00 -2.03 -0.07 114.38 120.02 3d55 h ARG 31 Ca -0.12 -0.37 -0.13 0.00 -0.50 0.00 0.00 59.98 58.86 3d55 h ARG 31 Cb 1.18 -0.08 -0.08 0.00 0.00 0.00 0.00 29.97 30.99 3d55 h ARG 31 CO 0.25 1.06 0.17 0.00 0.00 0.00 0.00 179.97 181.45 3d55 n ALA 32 N -2.49 3.40 0.00 0.04 0.00 -1.26 -5.00 120.51 115.20 3d55 n ALA 32 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3d55 n ALA 32 Cb 0.38 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3d55 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d55 n GLY 33 N 0.01 2.08 3.77 0.00 0.00 -0.04 -5.08 105.19 105.94 3d55 n GLY 33 Ca 0.17 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 3d55 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d55 s ASP 34 N 0.00 5.39 0.09 1.61 1.01 -1.26 -2.86 116.67 120.65 3d55 s ASP 34 Ca 0.00 -0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.13 3d55 s ASP 34 Cb 0.00 -1.38 -0.04 0.00 1.01 0.00 0.00 42.92 42.51 3d55 s ASP 34 CO 0.00 0.10 -0.06 0.00 0.21 0.00 0.00 175.17 175.42 3d55 s ALA 35 N -1.66 0.89 -0.11 5.23 0.00 0.45 -5.01 121.76 121.55 3d55 s ALA 35 Ca 0.30 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3d55 s ALA 35 Cb -0.10 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3d55 s ALA 35 CO 0.22 -0.26 -0.23 0.08 0.00 0.00 0.00 175.76 175.57 3d55 s VAL 36 N -3.66 2.04 -0.18 0.00 1.01 -1.26 -0.20 120.40 118.14 3d55 s VAL 36 Ca 0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 3d55 s VAL 36 Cb 0.06 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3d55 s VAL 36 CO -0.06 0.55 0.13 -0.22 0.00 0.00 0.00 175.10 175.50 3d55 s LEU 37 N 0.51 4.23 0.08 3.92 2.96 -0.08 -4.94 118.68 125.36 3d55 s LEU 37 Ca -0.15 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3d55 s LEU 37 Cb -0.17 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 3d55 s LEU 37 CO 0.05 0.22 0.13 0.00 -1.32 0.00 0.00 176.35 175.44 3d55 s MET 38 N 0.10 0.79 0.19 1.98 0.23 -1.26 -0.50 119.30 120.83 3d55 s MET 38 Ca 0.09 -1.04 -0.33 0.00 -1.03 0.00 0.00 55.69 53.38 3d55 s MET 38 Cb -0.11 0.31 -0.15 0.00 -1.53 0.00 0.00 34.83 33.35 3d55 s MET 38 CO -0.01 -0.23 1.37 0.45 -2.03 0.00 0.00 175.02 174.57 3d55 n SER 39 N -0.02 2.30 0.00 -1.18 2.88 -1.26 -4.90 113.62 111.43 3d55 n SER 39 Ca -0.14 1.13 -0.07 0.00 -1.33 0.00 0.00 58.87 58.46 3d55 n SER 39 Cb 0.62 -1.34 -0.12 0.00 -0.75 0.00 0.00 64.21 62.62 3d55 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d55 h ALA 40 N 4.37 0.70 0.03 -1.46 0.00 -1.98 -2.00 119.26 118.92 3d55 h ALA 40 Ca -0.45 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.20 3d55 h ALA 40 Cb 1.30 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3d55 h ALA 40 CO 0.77 1.42 -0.08 -0.44 0.00 0.00 0.00 179.25 180.93 3d55 h ASP 41 N 0.00 -0.21 -0.30 0.00 3.45 -1.98 -0.97 116.42 116.41 3d55 h ASP 41 Ca -0.22 0.03 0.07 0.00 0.43 0.00 0.00 57.03 57.34 3d55 h ASP 41 Cb 1.90 0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 40.68 3d55 h ASP 41 CO 0.08 -0.11 -0.25 0.44 -1.57 0.00 0.00 179.24 177.83 3d55 h ASP 42 N -0.15 -0.81 -0.51 6.45 5.19 -1.95 0.16 116.42 124.80 3d55 h ASP 42 Ca 0.02 0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.60 3d55 h ASP 42 Cb 0.17 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 3d55 h ASP 42 CO -0.06 -0.28 0.32 0.22 -3.12 0.00 0.00 179.24 176.33 3d55 h TYR 43 N -0.23 0.60 -0.05 4.55 3.20 -1.33 0.11 116.97 123.83 3d55 h TYR 43 Ca 0.15 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 3d55 h TYR 43 Cb 0.47 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3d55 h TYR 43 CO -0.43 0.36 -0.66 -0.44 -1.64 0.00 0.00 178.16 175.35 3d55 h ASP 44 N 0.65 0.23 -0.18 -2.11 3.32 -1.05 -1.07 116.42 116.21 3d55 h ASP 44 Ca 0.20 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 3d55 h ASP 44 Cb -0.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3d55 h ASP 44 CO -0.07 0.83 -0.57 0.00 -1.72 0.00 0.00 179.24 177.71 3d55 h ALA 45 N 1.17 0.52 -0.07 3.45 0.00 -0.34 -0.77 119.26 123.21 3d55 h ALA 45 Ca -0.01 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3d55 h ALA 45 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3d55 h ALA 45 CO 0.10 0.69 0.01 2.35 0.00 0.00 0.00 179.25 182.40 3d55 h TRP 46 N 0.59 0.02 0.17 0.00 7.01 -0.20 -1.57 115.95 121.97 3d55 h TRP 46 Ca 0.01 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.02 3d55 h TRP 46 Cb 1.16 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 3d55 h TRP 46 CO 0.07 0.01 -0.23 1.96 -2.79 0.00 0.00 178.44 177.46 3d55 h GLN 47 N 0.05 -0.44 -0.69 2.65 4.20 -1.05 -2.30 115.11 117.53 3d55 h GLN 47 Ca 0.03 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.81 3d55 h GLN 47 Cb 0.02 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3d55 h GLN 47 CO -0.04 -0.29 0.46 0.93 -0.67 0.00 0.00 178.83 179.21 3d55 h GLU 48 N -0.45 0.80 -0.11 1.46 4.39 -1.11 0.50 114.58 120.05 3d55 h GLU 48 Ca 0.01 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 3d55 h GLU 48 Cb 0.45 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3d55 h GLU 48 CO -0.09 0.53 -0.62 0.00 -1.16 0.00 0.00 179.01 177.67 3d55 h THR 49 N 0.82 1.36 -0.31 1.13 1.03 -1.02 -2.63 112.91 113.29 3d55 h THR 49 Ca 0.28 -1.96 -0.15 0.00 -0.01 0.00 0.00 66.41 64.57 3d55 h THR 49 Cb 0.08 1.95 -0.01 0.00 -1.07 0.00 0.00 68.15 69.11 3d55 h THR 49 CO -0.08 0.59 -0.42 0.58 -0.01 0.00 0.00 175.52 176.18 3d55 h VAL 50 N 0.29 1.29 -0.96 0.00 2.07 -0.67 -0.69 116.25 117.57 3d55 h VAL 50 Ca -0.01 -1.60 0.28 0.00 0.82 0.00 0.00 66.70 66.19 3d55 h VAL 50 Cb 1.15 1.49 -0.14 0.00 -1.52 0.00 0.00 31.29 32.27 3d55 h VAL 50 CO 0.11 0.52 0.47 1.88 0.02 0.00 0.00 177.57 180.56 3d55 h TYR 51 N 0.63 0.77 0.00 1.57 -1.99 0.12 -1.47 116.97 116.59 3d55 h TYR 51 Ca 0.05 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3d55 h TYR 51 Cb 0.98 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.52 3d55 h TYR 51 CO 0.05 -0.13 0.00 -0.07 -0.00 0.00 0.00 178.16 178.01 3d55 h LEU 52 N 0.35 0.00 -5.74 3.88 3.38 -0.76 -3.38 115.31 113.04 3d55 h LEU 52 Ca 0.66 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.91 3d55 h LEU 52 Cb 1.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 3d55 h LEU 52 CO -0.59 0.00 2.97 0.18 0.09 0.00 0.00 178.44 181.09 3d55 n LEU 53 N -3.06 7.62 0.17 1.67 4.77 -0.55 -4.57 117.00 123.04 3d55 n LEU 53 Ca 0.02 -4.47 0.06 0.00 -0.03 0.00 0.00 56.01 51.59 3d55 n LEU 53 Cb 0.39 -1.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.09 3d55 n LEU 53 CO 0.30 1.64 0.61 0.03 -1.33 0.00 0.00 177.39 178.64 3d55 h ARG 54 N 5.38 0.00 -2.72 3.23 3.08 -1.80 -3.47 114.38 118.07 3d55 h ARG 54 Ca 0.65 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.78 3d55 h ARG 54 Cb 0.47 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 3d55 h ARG 54 CO 1.72 0.34 0.33 -1.54 -1.07 0.00 0.00 179.97 179.75 3d55 s SER 55 N -6.35 -0.34 0.47 7.04 1.04 -1.26 -5.04 113.70 109.26 3d55 s SER 55 Ca 0.04 -0.30 0.26 0.00 0.48 0.00 0.00 55.95 56.42 3d55 s SER 55 Cb 0.08 0.58 1.30 0.00 0.10 0.00 0.00 66.02 68.07 3d55 s SER 55 CO 0.71 -1.02 1.81 -0.65 0.98 0.00 0.00 173.24 175.06 3d55 h PRO 56 N 2.00 0.21 -0.52 4.02 0.11 -1.99 0.09 132.00 135.92 3d55 h PRO 56 Ca -0.25 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 3d55 h PRO 56 Cb 1.26 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3d55 h PRO 56 CO 0.29 0.14 0.15 1.49 -0.21 0.00 0.00 178.00 179.85 3d55 h GLU 57 N 0.21 0.78 -0.70 1.05 4.57 -1.99 0.68 114.58 119.19 3d55 h GLU 57 Ca 0.55 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.53 3d55 h GLU 57 Cb 1.73 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 30.16 3d55 h GLU 57 CO -0.15 0.69 0.21 -0.91 -1.18 0.00 0.00 179.01 177.66 3d55 h ASN 58 N 0.76 1.02 -0.69 1.04 4.21 -1.29 0.99 115.58 121.62 3d55 h ASN 58 Ca 0.17 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.45 3d55 h ASN 58 Cb 0.24 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 3d55 h ASN 58 CO -0.01 0.97 0.34 0.00 -1.29 0.00 0.00 177.43 177.44 3d55 h ALA 59 N 1.10 0.89 0.17 -0.83 0.00 -1.15 -0.29 119.26 119.13 3d55 h ALA 59 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d55 h ALA 59 Cb 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3d55 h ALA 59 CO -0.01 0.43 -0.08 -0.09 0.00 0.00 0.00 179.25 179.51 3d55 h ARG 60 N 0.95 -0.22 -0.98 0.00 2.43 -0.72 -2.03 114.38 113.83 3d55 h ARG 60 Ca 0.24 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.64 3d55 h ARG 60 Cb 0.09 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 3d55 h ARG 60 CO -0.03 -0.12 0.62 0.00 -1.51 0.00 0.00 179.97 178.93 3d55 h ARG 61 N -0.25 0.54 -0.28 0.20 2.47 -0.50 -1.79 114.38 114.77 3d55 h ARG 61 Ca -0.02 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 3d55 h ARG 61 Cb 0.20 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3d55 h ARG 61 CO 0.04 0.36 0.01 1.25 0.56 0.00 0.00 179.97 182.19 3d55 h LEU 62 N 0.55 0.47 -0.93 3.04 5.85 -0.75 -2.18 115.31 121.36 3d55 h LEU 62 Ca 0.55 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3d55 h LEU 62 Cb 1.14 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3d55 h LEU 62 CO -0.29 0.65 0.30 0.24 -0.34 0.00 0.00 178.44 179.00 3d55 h MET 63 N 0.27 1.07 0.53 1.25 2.86 -0.86 -1.66 114.93 118.39 3d55 h MET 63 Ca 0.08 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3d55 h MET 63 Cb 0.40 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.88 3d55 h MET 63 CO 0.01 0.86 -0.26 0.93 1.06 0.00 0.00 176.91 179.52 3d55 h GLU 64 N 1.05 -0.69 -1.12 1.72 5.08 -1.32 0.37 114.58 119.68 3d55 h GLU 64 Ca 0.25 0.05 0.34 0.00 -1.00 0.00 0.00 59.36 58.99 3d55 h GLU 64 Cb 0.18 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.47 3d55 h GLU 64 CO -0.02 -0.40 0.69 0.00 -1.00 0.00 0.00 179.01 178.28 3d55 h ALA 65 N -0.50 2.29 -0.23 3.43 0.00 -1.27 0.91 119.26 123.89 3d55 h ALA 65 Ca -0.07 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3d55 h ALA 65 Cb 0.61 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3d55 h ALA 65 CO 0.12 -0.84 -0.57 0.28 0.00 0.00 0.00 179.25 178.24 3d55 h VAL 66 N 0.27 1.30 0.00 0.00 2.07 -0.83 -2.77 116.25 116.29 3d55 h VAL 66 Ca 0.72 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3d55 h VAL 66 Cb 1.91 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3d55 h VAL 66 CO -0.45 0.57 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3d55 n ALA 67 N -2.55 1.94 0.19 1.67 0.00 0.28 -3.10 120.51 118.95 3d55 n ALA 67 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 3d55 n ALA 67 Cb 0.63 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 3d55 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d55 h ARG 68 N 0.00 -0.52 0.00 0.00 3.08 -0.29 -3.47 114.38 113.18 3d55 h ARG 68 Ca 0.00 0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.51 3d55 h ARG 68 Cb 0.45 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.50 3d55 h ARG 68 CO 0.00 -0.35 -0.45 -0.40 -1.07 0.00 0.00 179.97 177.70 3d55 n ASP 69 N -5.37 2.06 0.06 7.04 5.75 -1.26 -5.06 116.55 119.79 3d55 n ASP 69 Ca -0.09 -3.11 -0.08 0.00 -0.01 0.00 0.00 54.79 51.50 3d55 n ASP 69 Cb 0.27 0.74 0.06 0.00 -1.03 0.00 0.00 41.12 41.16 3d55 n ASP 69 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3d55 h LYS 70 N 0.00 0.33 -0.04 0.11 1.79 -1.91 -2.83 116.57 114.02 3d55 h LYS 70 Ca -0.35 -0.26 -0.09 0.00 -2.18 0.00 0.00 60.65 57.78 3d55 h LYS 70 Cb 1.19 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 3d55 h LYS 70 CO 0.56 0.89 -0.37 0.00 -1.08 0.00 0.00 179.45 179.45 3d55 h ALA 71 N 1.04 1.30 0.45 3.86 0.00 -1.97 -1.61 119.26 122.32 3d55 h ALA 71 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3d55 h ALA 71 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3d55 h ALA 71 CO 0.11 0.51 -0.22 0.78 0.00 0.00 0.00 179.25 180.43 3d55 h GLY 72 N 1.15 -0.63 -0.44 0.00 0.00 -1.72 -1.80 103.07 99.63 3d55 h GLY 72 Ca 0.01 0.23 0.13 0.00 0.00 0.00 0.00 47.33 47.70 3d55 h GLY 72 CO 0.05 -0.23 -0.24 0.45 0.00 0.00 0.00 176.54 176.57 3d55 h HIS 73 N -0.71 -0.61 0.28 5.60 -0.00 -1.33 -1.11 115.15 117.27 3d55 h HIS 73 Ca -0.06 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3d55 h HIS 73 Cb 0.52 0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 28.27 3d55 h HIS 73 CO -0.02 -0.34 -0.41 0.77 -0.00 0.00 0.00 177.93 177.93 3d55 h SER 74 N -0.06 -1.16 -0.98 2.45 0.02 -1.14 0.45 113.55 113.12 3d55 h SER 74 Ca 0.30 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.48 3d55 h SER 74 Cb 0.54 0.40 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 3d55 h SER 74 CO -0.72 -0.49 0.61 0.00 -1.14 0.00 0.00 176.83 175.09 3d55 h ALA 75 N -0.97 1.48 -0.03 3.77 0.00 -0.73 -1.56 119.26 121.23 3d55 h ALA 75 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3d55 h ALA 75 Cb 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3d55 h ALA 75 CO -0.12 0.20 -0.07 0.35 0.00 0.00 0.00 179.25 179.61 3d55 h PHE 76 N 0.96 0.13 -0.92 0.00 3.57 -1.17 -2.70 116.94 116.81 3d55 h PHE 76 Ca 0.49 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 62.05 3d55 h PHE 76 Cb 0.50 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 3d55 h PHE 76 CO -0.01 0.67 0.56 1.15 -2.23 0.00 0.00 178.31 178.44 3d55 h THR 77 N -0.44 0.92 -0.74 4.41 2.02 -0.45 -2.02 112.91 116.60 3d55 h THR 77 Ca -0.00 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 3d55 h THR 77 Cb 0.66 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3d55 h THR 77 CO 0.02 0.17 0.24 0.50 0.37 0.00 0.00 175.52 176.81 3d55 h LYS 78 N 0.91 1.15 -0.28 6.66 3.64 -1.29 -0.65 116.57 126.71 3d55 h LYS 78 Ca 0.45 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3d55 h LYS 78 Cb 0.42 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3d55 h LYS 78 CO -0.26 0.98 0.15 0.77 -2.27 0.00 0.00 179.45 178.82 3d55 h SER 79 N 1.10 0.24 -0.11 4.20 0.02 -1.38 0.11 113.55 117.72 3d55 h SER 79 Ca 0.24 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3d55 h SER 79 Cb 0.30 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3d55 h SER 79 CO -0.01 0.18 0.03 0.58 -1.14 0.00 0.00 176.83 176.47 3d55 h VAL 80 N 0.31 1.18 -0.76 2.27 2.07 -1.12 -1.74 116.25 118.46 3d55 h VAL 80 Ca 0.11 -0.57 0.12 0.00 0.82 0.00 0.00 66.70 67.18 3d55 h VAL 80 Cb 0.01 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3d55 h VAL 80 CO -0.06 0.17 0.37 0.44 0.02 0.00 0.00 177.57 178.50 3d55 h ASP 81 N -0.02 0.44 0.31 0.57 3.32 -1.13 0.45 116.42 120.36 3d55 h ASP 81 Ca 0.03 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3d55 h ASP 81 Cb 0.23 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3d55 h ASP 81 CO -0.00 0.22 -0.45 -0.33 -1.72 0.00 0.00 179.24 176.96 3d55 h GLU 82 N 0.58 -0.79 -0.63 3.56 4.39 -0.61 -2.47 114.58 118.61 3d55 h GLU 82 Ca 0.39 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.27 3d55 h GLU 82 Cb 0.50 0.18 -0.12 0.00 -0.10 0.00 0.00 28.75 29.21 3d55 h GLU 82 CO -0.32 -0.52 -0.25 -0.07 -1.16 0.00 0.00 179.01 176.68 3d55 h LEU 83 N -0.81 -0.89 -2.02 1.33 -0.00 -0.38 -1.77 115.31 110.76 3d55 h LEU 83 Ca -0.02 0.21 0.12 0.00 -0.00 0.00 0.00 57.88 58.20 3d55 h LEU 83 Cb 0.76 0.50 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 3d55 h LEU 83 CO -0.14 -0.27 0.33 0.08 -0.00 0.00 0.00 178.44 178.44 3d55 h ARG 84 N -0.09 0.00 0.00 1.13 0.11 0.08 -1.31 114.38 114.31 3d55 h ARG 84 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3d55 h ARG 84 Cb 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3d55 h ARG 84 CO -0.68 0.00 -0.02 0.39 0.10 0.00 0.00 179.97 179.76 3d55 n GLU 85 N -4.29 0.07 0.00 0.08 1.02 -0.67 -5.09 120.64 111.77 3d55 n GLU 85 Ca 0.07 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3d55 n GLU 85 Cb 0.52 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3d55 n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31