#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 -0.58 0.30 7.83 0.15 -1.26 -1.49 113.70 118.66 3d55 s SER 2 Ca 0.00 0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.93 3d55 s SER 2 Cb 0.00 1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 65.89 3d55 s SER 2 CO 0.00 -0.30 0.29 0.27 1.20 0.00 0.00 173.24 174.70 3d55 s ILE 3 N 2.69 0.00 0.33 6.45 -4.36 0.20 -5.00 121.20 121.52 3d55 s ILE 3 Ca 0.14 -1.90 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 3d55 s ILE 3 Cb -0.13 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 3d55 s ILE 3 CO -0.23 0.00 0.58 -0.94 0.24 0.00 0.00 174.94 174.59 3d55 s SER 4 N -3.28 6.37 0.19 4.36 1.04 -1.26 0.23 113.70 121.36 3d55 s SER 4 Ca 0.38 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.33 3d55 s SER 4 Cb 0.03 -2.12 0.21 0.00 0.10 0.00 0.00 66.02 64.24 3d55 s SER 4 CO 0.22 -0.28 1.68 0.00 0.98 0.00 0.00 173.24 175.84 3d55 h ALA 5 N 1.19 0.49 -0.24 5.32 0.00 -0.63 1.74 119.26 127.13 3d55 h ALA 5 Ca -0.48 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3d55 h ALA 5 Cb 1.20 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3d55 h ALA 5 CO 0.64 -0.39 0.09 0.66 0.00 0.00 0.00 179.25 180.25 3d55 h SER 6 N 0.11 0.34 -0.98 0.00 4.64 -1.96 1.20 113.55 116.90 3d55 h SER 6 Ca 0.27 -0.18 0.09 0.00 -0.47 0.00 0.00 61.79 61.50 3d55 h SER 6 Cb 0.41 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.34 3d55 h SER 6 CO -0.45 0.43 0.63 -0.08 -0.87 0.00 0.00 176.83 176.49 3d55 h GLU 7 N 0.23 1.02 -0.02 4.77 4.81 -1.73 -1.78 114.58 121.88 3d55 h GLU 7 Ca 0.08 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 3d55 h GLU 7 Cb 0.20 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3d55 h GLU 7 CO -0.00 0.67 -0.78 0.00 -0.73 0.00 0.00 179.01 178.17 3d55 h ALA 8 N 1.51 0.66 0.02 2.92 0.00 0.33 -2.19 119.26 122.50 3d55 h ALA 8 Ca 0.45 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3d55 h ALA 8 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3d55 h ALA 8 CO -0.21 0.87 -0.01 -0.09 0.00 0.00 0.00 179.25 179.81 3d55 h ARG 9 N 0.10 -0.03 -0.01 0.00 2.43 0.22 -1.74 114.38 115.35 3d55 h ARG 9 Ca -0.03 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 3d55 h ARG 9 Cb 1.36 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3d55 h ARG 9 CO 0.12 0.13 -0.82 0.37 -1.51 0.00 0.00 179.97 178.25 3d55 h GLN 10 N -0.19 0.21 -0.14 0.20 4.15 -1.32 -2.89 115.11 115.13 3d55 h GLN 10 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3d55 h GLN 10 Cb 0.18 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3d55 h GLN 10 CO 0.01 0.92 0.00 0.54 -1.93 0.00 0.00 178.83 178.37 3d55 n ARG 11 N -3.70 1.37 -0.32 1.69 5.12 -0.83 -4.60 116.66 115.39 3d55 n ARG 11 Ca -0.03 -0.58 0.07 0.00 -1.93 0.00 0.00 57.85 55.38 3d55 n ARG 11 Cb 0.77 -1.18 0.22 0.00 -1.16 0.00 0.00 32.46 31.11 3d55 n ARG 11 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3d55 h LEU 12 N 0.99 0.69 -0.39 0.55 5.85 -1.09 -2.75 115.31 119.16 3d55 h LEU 12 Ca 0.00 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3d55 h LEU 12 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3d55 h LEU 12 CO 0.00 0.33 -0.05 -0.26 -0.34 0.00 0.00 178.44 178.13 3d55 h PHE 13 N 0.77 0.79 -0.12 1.25 0.04 -1.87 -2.57 116.94 115.23 3d55 h PHE 13 Ca 0.47 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.99 3d55 h PHE 13 Cb 0.57 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3d55 h PHE 13 CO -0.05 0.83 -0.33 -1.00 -0.60 0.00 0.00 178.31 177.15 3d55 h PRO 14 N 0.53 0.24 -0.68 1.51 0.13 -1.90 -2.62 132.00 129.21 3d55 h PRO 14 Ca 0.10 -0.10 0.07 0.00 -0.87 0.00 0.00 66.00 65.21 3d55 h PRO 14 Cb 0.54 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.60 3d55 h PRO 14 CO 0.03 0.55 0.37 -0.07 -0.23 0.00 0.00 178.00 178.64 3d55 h LEU 15 N 0.21 0.52 -1.05 1.56 3.38 -1.40 0.48 115.31 119.00 3d55 h LEU 15 Ca 0.03 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3d55 h LEU 15 Cb 0.69 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3d55 h LEU 15 CO 0.05 0.32 -0.19 0.40 0.09 0.00 0.00 178.44 179.11 3d55 h ILE 16 N 0.65 1.24 -0.22 1.22 2.04 -1.13 -0.32 117.51 121.00 3d55 h ILE 16 Ca 0.32 -1.12 -0.19 0.00 1.00 0.00 0.00 64.86 64.86 3d55 h ILE 16 Cb 0.25 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3d55 h ILE 16 CO -0.21 0.36 -0.62 -0.08 0.00 0.00 0.00 178.15 177.60 3d55 h GLU 17 N 0.40 0.76 -0.46 2.37 4.81 -1.03 -2.96 114.58 118.47 3d55 h GLU 17 Ca 0.07 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3d55 h GLU 17 Cb 0.57 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3d55 h GLU 17 CO 0.04 1.15 0.29 0.37 -0.73 0.00 0.00 179.01 180.13 3d55 h GLN 18 N 0.57 0.58 -0.60 1.92 4.15 0.80 -1.96 115.11 120.57 3d55 h GLN 18 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3d55 h GLN 18 Cb 1.21 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 3d55 h GLN 18 CO 0.13 0.38 0.29 -0.24 -1.93 0.00 0.00 178.83 177.47 3d55 h VAL 19 N 0.60 1.21 0.00 2.39 3.04 -1.15 0.52 116.25 122.86 3d55 h VAL 19 Ca 0.17 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 3d55 h VAL 19 Cb -0.05 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 3d55 h VAL 19 CO -0.05 0.24 0.00 0.59 -1.01 0.00 0.00 177.57 177.34 3d55 n ASN 20 N -4.53 0.00 -0.02 3.17 3.02 -1.09 -1.83 115.26 113.99 3d55 n ASN 20 Ca 0.04 0.07 -0.06 0.00 -0.03 0.00 0.00 54.58 54.59 3d55 n ASN 20 Cb 0.12 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.27 1.01 1.37 3.41 -1.04 -0.30 -4.73 114.28 112.73 3d55 n THR 21 Ca 0.07 0.14 0.13 0.00 -2.04 0.00 0.00 64.05 62.35 3d55 n THR 21 Cb 0.10 -1.76 0.45 0.00 -1.82 0.00 0.00 70.33 67.30 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 -3.67 1.25 -2.30 8.00 3.85 0.02 -4.96 116.55 118.74 3d55 n ASP 22 Ca -0.11 -1.18 -0.12 0.00 -0.71 0.00 0.00 54.79 52.68 3d55 n ASP 22 Cb 0.36 0.07 -0.01 0.00 -1.35 0.00 0.00 41.12 40.19 3d55 n ASP 22 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3d55 n HIS 23 N -0.25 -1.30 -4.58 2.11 8.25 -0.76 -4.95 115.22 113.74 3d55 n HIS 23 Ca 0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.28 3d55 n HIS 23 Cb 0.35 -2.65 -0.11 0.00 1.12 0.00 0.00 29.99 28.70 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 -4.76 2.76 0.71 -0.41 -0.21 -1.26 -4.98 119.66 111.50 3d55 s GLN 24 Ca 0.00 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 54.72 3d55 s GLN 24 Cb 0.00 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 31.42 3d55 s GLN 24 CO 0.00 0.66 1.09 -1.25 -2.12 0.00 0.00 175.29 173.67 3d55 s PRO 25 N -0.89 2.86 -0.23 2.91 0.04 -1.26 -4.67 135.00 133.77 3d55 s PRO 25 Ca 0.13 0.54 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 3d55 s PRO 25 Cb -0.11 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3d55 s PRO 25 CO 0.02 -1.05 -0.08 0.08 0.04 0.00 0.00 177.00 176.01 3d55 s VAL 26 N -3.30 2.85 -0.26 -0.36 1.01 0.11 -3.23 120.40 117.23 3d55 s VAL 26 Ca 0.58 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 3d55 s VAL 26 Cb -0.12 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3d55 s VAL 26 CO 0.52 0.32 1.05 -0.13 0.00 0.00 0.00 175.10 176.87 3d55 s ARG 27 N 1.36 4.20 -0.23 2.72 1.81 -0.55 0.08 118.95 128.35 3d55 s ARG 27 Ca 0.03 1.28 -0.05 0.00 -1.72 0.00 0.00 55.73 55.26 3d55 s ARG 27 Cb -0.15 -3.67 -0.02 0.00 -0.45 0.00 0.00 34.95 30.66 3d55 s ARG 27 CO -0.06 -0.71 0.00 0.42 -0.68 0.00 0.00 175.30 174.27 3d55 s ILE 28 N 3.34 3.80 0.29 1.52 1.01 0.55 -0.63 121.20 131.08 3d55 s ILE 28 Ca 0.45 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 3d55 s ILE 28 Cb -0.14 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.49 3d55 s ILE 28 CO 0.09 0.40 0.81 -0.89 0.00 0.00 0.00 174.94 175.35 3d55 s THR 29 N 1.42 4.46 -0.15 2.92 2.01 0.14 -0.89 115.64 125.54 3d55 s THR 29 Ca 0.05 1.43 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 3d55 s THR 29 Cb -0.15 -3.85 0.13 0.00 0.01 0.00 0.00 72.50 68.65 3d55 s THR 29 CO 0.00 0.09 1.04 -0.94 -0.69 0.00 0.00 174.62 174.12 3d55 s SER 30 N -1.77 -0.31 0.00 3.53 1.04 -1.23 0.14 113.70 115.10 3d55 s SER 30 Ca 0.48 0.26 0.19 0.00 0.48 0.00 0.00 55.95 57.36 3d55 s SER 30 Cb -0.16 0.27 1.04 0.00 0.10 0.00 0.00 66.02 67.27 3d55 s SER 30 CO 0.21 -0.34 1.53 -2.11 0.98 0.00 0.00 173.24 173.51 3d55 n ARG 31 N 0.47 0.46 -0.31 4.02 0.00 -1.26 -2.46 116.66 117.59 3d55 n ARG 31 Ca -0.08 0.05 0.11 0.00 -0.00 0.00 0.00 57.85 57.92 3d55 n ARG 31 Cb 0.59 -1.50 0.27 0.00 -0.00 0.00 0.00 32.46 31.82 3d55 n ARG 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d55 n ALA 32 N -1.11 2.35 0.00 2.89 0.00 -1.26 -5.03 120.51 118.34 3d55 n ALA 32 Ca 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3d55 n ALA 32 Cb 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.42 3.25 3.89 0.00 0.00 -1.03 -5.08 105.19 107.63 3d55 n GLY 33 Ca 0.21 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 6.46 0.03 1.61 1.01 -1.26 -3.56 116.67 120.97 3d55 s ASP 34 Ca 0.00 0.93 -0.00 0.00 0.71 0.00 0.00 52.55 54.18 3d55 s ASP 34 Cb 0.00 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 3d55 s ASP 34 CO 0.00 -0.33 -0.03 0.00 0.21 0.00 0.00 175.17 175.02 3d55 s ALA 35 N -2.28 0.31 -0.09 5.23 0.00 -0.07 -4.99 121.76 119.87 3d55 s ALA 35 Ca 0.48 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3d55 s ALA 35 Cb -0.10 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3d55 s ALA 35 CO 0.32 -0.26 -0.08 0.08 0.00 0.00 0.00 175.76 175.82 3d55 s VAL 36 N -2.62 3.56 -0.24 0.00 1.01 -1.26 -0.33 120.40 120.52 3d55 s VAL 36 Ca -0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3d55 s VAL 36 Cb -0.02 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3d55 s VAL 36 CO -0.05 0.57 0.02 -0.22 0.00 0.00 0.00 175.10 175.42 3d55 s LEU 37 N -0.43 3.25 0.28 3.92 2.96 0.11 -4.91 118.68 123.87 3d55 s LEU 37 Ca 0.06 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3d55 s LEU 37 Cb -0.12 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 3d55 s LEU 37 CO 0.02 -0.04 0.08 0.00 -1.32 0.00 0.00 176.35 175.09 3d55 s MET 38 N 1.55 1.51 0.53 1.98 0.23 -1.26 0.07 119.30 123.90 3d55 s MET 38 Ca 0.06 -1.82 -0.18 0.00 -1.03 0.00 0.00 55.69 52.71 3d55 s MET 38 Cb -0.15 -0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 32.56 3d55 s MET 38 CO 0.01 -0.24 1.04 -1.54 -2.03 0.00 0.00 175.02 172.25 3d55 s SER 39 N -3.38 6.19 0.20 -1.18 1.04 -1.26 -4.89 113.70 110.42 3d55 s SER 39 Ca 0.37 1.83 -0.04 0.00 0.48 0.00 0.00 55.95 58.59 3d55 s SER 39 Cb 0.08 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.80 3d55 s SER 39 CO 0.14 -0.89 1.55 0.00 0.98 0.00 0.00 173.24 175.03 3d55 h ALA 40 N 1.07 0.77 -0.89 5.32 0.00 -1.98 -1.67 119.26 121.88 3d55 h ALA 40 Ca -0.48 -0.45 0.11 0.00 0.00 0.00 0.00 54.91 54.08 3d55 h ALA 40 Cb 1.21 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3d55 h ALA 40 CO 0.59 0.66 0.52 0.38 0.00 0.00 0.00 179.25 181.40 3d55 h ASP 41 N 0.54 0.75 -0.04 0.00 3.04 -1.98 -1.29 116.42 117.44 3d55 h ASP 41 Ca 0.04 0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.88 3d55 h ASP 41 Cb 0.94 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 39.13 3d55 h ASP 41 CO 0.09 0.41 -0.01 0.44 -2.04 0.00 0.00 179.24 178.13 3d55 h ASP 42 N 0.85 0.07 -0.16 4.15 3.45 -1.88 0.17 116.42 123.07 3d55 h ASP 42 Ca 0.44 -0.35 0.04 0.00 0.43 0.00 0.00 57.03 57.59 3d55 h ASP 42 Cb 0.42 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 39.13 3d55 h ASP 42 CO -0.26 0.41 -0.13 0.22 -1.57 0.00 0.00 179.24 177.91 3d55 h TYR 43 N -0.26 -0.31 -0.21 4.55 3.20 -1.11 -1.23 116.97 121.60 3d55 h TYR 43 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3d55 h TYR 43 Cb 0.37 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3d55 h TYR 43 CO 0.05 -0.19 0.13 -0.44 -1.64 0.00 0.00 178.16 176.07 3d55 h ASP 44 N -0.13 0.24 -0.77 -2.11 3.45 -1.20 -1.05 116.42 114.84 3d55 h ASP 44 Ca 0.10 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 3d55 h ASP 44 Cb 0.28 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.95 3d55 h ASP 44 CO -0.24 0.21 0.45 0.00 -1.57 0.00 0.00 179.24 178.08 3d55 h ALA 45 N 1.05 1.32 0.47 3.45 0.00 -0.52 -1.26 119.26 123.78 3d55 h ALA 45 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3d55 h ALA 45 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3d55 h ALA 45 CO -0.01 0.57 -0.23 2.35 0.00 0.00 0.00 179.25 181.93 3d55 h TRP 46 N 1.08 -0.59 -0.90 0.00 2.91 -1.03 -1.00 115.95 116.42 3d55 h TRP 46 Ca 0.28 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.35 3d55 h TRP 46 Cb -0.01 0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 3d55 h TRP 46 CO 0.01 -0.30 0.59 0.37 -1.03 0.00 0.00 178.44 178.07 3d55 h GLN 47 N -0.78 1.00 -0.50 2.65 4.15 -1.20 -1.13 115.11 119.29 3d55 h GLN 47 Ca -0.07 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.18 3d55 h GLN 47 Cb 0.56 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 3d55 h GLN 47 CO 0.11 0.66 -0.15 0.93 -1.93 0.00 0.00 178.83 178.45 3d55 h GLU 48 N 1.03 0.97 -0.52 1.69 5.08 -1.12 -1.34 114.58 120.37 3d55 h GLU 48 Ca 0.39 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3d55 h GLU 48 Cb 0.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3d55 h GLU 48 CO -0.14 1.04 0.06 1.15 -1.00 0.00 0.00 179.01 180.12 3d55 h THR 49 N 0.85 1.26 -0.51 1.13 2.02 -0.58 -1.13 112.91 115.94 3d55 h THR 49 Ca 0.13 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 3d55 h THR 49 Cb 0.71 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3d55 h THR 49 CO 0.05 0.35 0.28 0.58 0.37 0.00 0.00 175.52 177.16 3d55 h VAL 50 N 0.75 1.18 -0.90 3.16 2.07 -1.03 0.38 116.25 121.86 3d55 h VAL 50 Ca 0.15 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3d55 h VAL 50 Cb 0.44 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3d55 h VAL 50 CO 0.02 0.19 0.60 0.22 0.02 0.00 0.00 177.57 178.61 3d55 h TYR 51 N 0.68 1.13 -0.13 1.57 3.20 -1.03 -2.79 116.97 119.60 3d55 h TYR 51 Ca 0.18 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 3d55 h TYR 51 Cb 0.05 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 3d55 h TYR 51 CO -0.02 0.71 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.68 3d55 h LEU 52 N 1.21 0.34 -0.16 2.82 3.38 -0.64 -2.68 115.31 119.58 3d55 h LEU 52 Ca 0.33 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3d55 h LEU 52 Cb -0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3d55 h LEU 52 CO -0.07 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.40 3d55 n LEU 53 N -3.98 0.07 -0.26 1.67 4.77 0.07 -2.52 117.00 116.82 3d55 n LEU 53 Ca -0.02 0.53 0.20 0.00 -0.03 0.00 0.00 56.01 56.69 3d55 n LEU 53 Cb 0.53 -0.54 0.51 0.00 -2.33 0.00 0.00 43.42 41.59 3d55 n LEU 53 CO 0.43 -0.54 1.22 0.03 -1.33 0.00 0.00 177.39 177.21 3d55 h ARG 54 N 0.00 0.40 -5.52 3.23 3.08 -1.49 -3.40 114.38 110.68 3d55 h ARG 54 Ca 0.00 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 59.37 3d55 h ARG 54 Cb 0.01 -0.09 -0.24 0.00 0.08 0.00 0.00 29.97 29.73 3d55 h ARG 54 CO 0.00 0.26 -0.73 -1.12 -1.07 0.00 0.00 179.97 177.32 3d55 s SER 55 N -5.58 4.33 0.41 7.04 0.01 -1.05 -4.97 113.70 113.89 3d55 s SER 55 Ca -0.08 -0.22 0.21 0.00 1.31 0.00 0.00 55.95 57.18 3d55 s SER 55 Cb 0.23 -1.53 0.82 0.00 0.21 0.00 0.00 66.02 65.75 3d55 s SER 55 CO 0.79 0.21 1.79 -0.65 0.41 0.00 0.00 173.24 175.78 3d55 h PRO 56 N 6.38 0.00 -0.30 12.44 0.11 -1.87 -2.80 132.00 145.97 3d55 h PRO 56 Ca -0.32 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.68 3d55 h PRO 56 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3d55 h PRO 56 CO 0.57 0.29 -0.25 1.05 -0.21 0.00 0.00 178.00 179.45 3d55 h GLU 57 N 0.00 0.59 -0.83 1.05 4.11 -1.94 -2.73 114.58 114.84 3d55 h GLU 57 Ca -0.00 -0.23 0.15 0.00 0.07 0.00 0.00 59.36 59.34 3d55 h GLU 57 Cb 0.80 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 3d55 h GLU 57 CO 0.04 0.79 0.41 -0.91 0.07 0.00 0.00 179.01 179.40 3d55 h ASN 58 N 0.52 0.48 -0.64 3.06 -0.26 -1.78 0.29 115.58 117.24 3d55 h ASN 58 Ca 0.07 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3d55 h ASN 58 Cb 0.70 0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.96 3d55 h ASN 58 CO 0.05 0.20 0.39 0.00 -1.06 0.00 0.00 177.43 177.01 3d55 h ALA 59 N 1.55 0.81 -0.59 -0.83 0.00 -1.52 1.03 119.26 119.72 3d55 h ALA 59 Ca 0.45 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3d55 h ALA 59 Cb 0.65 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3d55 h ALA 59 CO -0.37 0.28 0.10 -0.09 0.00 0.00 0.00 179.25 179.18 3d55 h ARG 60 N 0.87 0.94 -0.36 0.00 2.43 -1.08 0.39 114.38 117.57 3d55 h ARG 60 Ca 0.23 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 3d55 h ARG 60 Cb -0.04 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3d55 h ARG 60 CO -0.04 0.86 -0.43 0.00 -1.51 0.00 0.00 179.97 178.85 3d55 h ARG 61 N 0.89 0.91 0.22 0.20 3.08 -0.25 0.26 114.38 119.69 3d55 h ARG 61 Ca 0.18 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3d55 h ARG 61 Cb 0.38 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3d55 h ARG 61 CO 0.01 1.15 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.80 3d55 h LEU 62 N 0.73 -0.51 -0.09 3.04 -0.00 0.20 -3.02 115.31 115.67 3d55 h LEU 62 Ca 0.05 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 58.01 3d55 h LEU 62 Cb 1.02 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 41.81 3d55 h LEU 62 CO 0.10 -0.29 -0.18 -0.03 -0.00 0.00 0.00 178.44 178.04 3d55 h MET 63 N -0.43 -0.23 -0.31 1.13 4.05 -0.07 -2.62 114.93 116.44 3d55 h MET 63 Ca -0.01 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 3d55 h MET 63 Cb 0.40 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 3d55 h MET 63 CO -0.03 -0.15 0.21 0.93 0.23 0.00 0.00 176.91 178.10 3d55 h GLU 64 N -0.24 0.30 0.09 0.39 5.08 -0.50 -3.02 114.58 116.68 3d55 h GLU 64 Ca 0.08 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3d55 h GLU 64 Cb 0.36 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.56 3d55 h GLU 64 CO -0.23 0.20 -0.62 0.00 -1.00 0.00 0.00 179.01 177.36 3d55 h ALA 65 N 1.82 -0.05 -0.86 3.43 0.00 -1.34 -3.05 119.26 119.21 3d55 h ALA 65 Ca 0.13 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.46 3d55 h ALA 65 Cb 0.13 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3d55 h ALA 65 CO -0.03 0.29 0.56 0.28 0.00 0.00 0.00 179.25 180.36 3d55 h VAL 66 N -0.46 1.08 0.00 0.00 2.07 -1.46 -1.22 116.25 116.26 3d55 h VAL 66 Ca -0.10 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3d55 h VAL 66 Cb 1.46 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3d55 h VAL 66 CO 0.12 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3d55 n ALA 67 N -2.41 2.31 1.15 1.67 0.00 -1.15 -5.15 120.51 116.94 3d55 n ALA 67 Ca 0.13 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3d55 n ALA 67 Cb 0.18 -1.31 0.54 0.00 0.00 0.00 0.00 19.45 18.87 3d55 n ALA 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04