#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r63 h ILE 2 N 0.00 0.00 -0.23 0.44 2.10 -1.88 -3.36 117.51 114.58 1r63 h ILE 2 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1r63 h ILE 2 Cb 0.00 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 35.72 1r63 h ILE 2 CO 0.00 0.00 0.15 0.77 -1.08 0.00 0.00 178.15 177.99 1r63 h SER 3 N -1.34 0.27 -0.90 2.19 4.64 -1.85 -1.81 113.55 114.75 1r63 h SER 3 Ca -0.13 -0.01 0.24 0.00 -0.47 0.00 0.00 61.79 61.42 1r63 h SER 3 Cb 1.03 -0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.90 1r63 h SER 3 CO 0.21 0.19 0.08 -1.28 -0.87 0.00 0.00 176.83 175.16 1r63 h SER 4 N 0.31 -0.32 0.04 4.97 0.87 -1.90 0.39 113.55 117.91 1r63 h SER 4 Ca 0.09 0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1r63 h SER 4 Cb -0.04 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1r63 h SER 4 CO -0.02 -0.26 -0.02 0.03 -0.53 0.00 0.00 176.83 176.03 1r63 h ARG 5 N 0.08 -0.05 -0.30 2.24 3.08 -1.50 -1.23 114.38 116.70 1r63 h ARG 5 Ca 0.54 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.66 1r63 h ARG 5 Cb 1.08 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.06 1r63 h ARG 5 CO -0.79 0.48 -0.32 0.28 -1.07 0.00 0.00 179.97 178.56 1r63 h VAL 6 N -0.61 0.26 0.36 2.04 2.07 -1.11 0.14 116.25 119.40 1r63 h VAL 6 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1r63 h VAL 6 Cb 0.55 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1r63 h VAL 6 CO 0.01 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 177.79 1r63 h LYS 7 N -0.29 -0.63 -0.49 1.57 1.63 -0.94 -0.78 116.57 116.63 1r63 h LYS 7 Ca 0.15 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.05 1r63 h LYS 7 Cb 0.53 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 1r63 h LYS 7 CO -0.47 -0.42 0.33 0.77 -3.45 0.00 0.00 179.45 176.21 1r63 h SER 8 N -0.65 0.37 -0.28 4.20 0.02 -1.01 0.75 113.55 116.94 1r63 h SER 8 Ca -0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1r63 h SER 8 Cb 0.55 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1r63 h SER 8 CO -0.01 0.24 0.00 0.11 -1.14 0.00 0.00 176.83 176.03 1r63 h LYS 9 N 0.42 0.50 -0.58 3.45 1.79 -0.55 0.31 116.57 121.91 1r63 h LYS 9 Ca 0.21 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1r63 h LYS 9 Cb 0.32 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1r63 h LYS 9 CO -0.05 0.65 0.26 -0.09 -1.08 0.00 0.00 179.45 179.14 1r63 h ARG 10 N 0.29 0.85 -0.06 3.15 2.43 0.62 0.07 114.38 121.72 1r63 h ARG 10 Ca 0.08 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1r63 h ARG 10 Cb 0.42 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1r63 h ARG 10 CO 0.01 0.70 -0.19 0.82 -1.51 0.00 0.00 179.97 179.81 1r63 h ILE 11 N 0.79 0.54 -0.32 1.20 1.08 -1.20 -0.02 117.51 119.57 1r63 h ILE 11 Ca 0.20 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.73 1r63 h ILE 11 Cb 0.15 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 1r63 h ILE 11 CO -0.02 0.00 -0.09 -0.61 -0.69 0.00 0.00 178.15 176.74 1r63 h GLN 12 N -0.27 -0.01 0.00 2.37 4.15 0.27 0.16 115.11 121.78 1r63 h GLN 12 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1r63 h GLN 12 Cb 0.38 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1r63 h GLN 12 CO -0.22 -0.01 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.58 1r63 h LEU 13 N -0.01 0.00 -1.07 -2.39 4.07 -0.66 -3.46 115.31 111.79 1r63 h LEU 13 Ca 0.16 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.00 1r63 h LEU 13 Cb 0.25 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.03 1r63 h LEU 13 CO -0.34 0.02 -0.20 0.61 -1.08 0.00 0.00 178.44 177.45 1r63 n GLY 14 N -1.36 0.49 3.59 0.83 0.00 0.57 -5.06 105.19 104.24 1r63 n GLY 14 Ca -0.03 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1r63 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r63 s LEU 15 N -2.87 3.20 0.95 0.99 1.43 -0.44 -5.02 118.68 116.92 1r63 s LEU 15 Ca 0.15 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1r63 s LEU 15 Cb -0.07 -1.70 0.16 0.00 0.03 0.00 0.00 46.19 44.62 1r63 s LEU 15 CO 0.21 0.36 1.13 0.20 0.23 0.00 0.00 176.35 178.48 1r63 s ASN 16 N -0.78 3.12 0.16 2.29 0.01 -1.26 -3.98 114.94 114.50 1r63 s ASN 16 Ca 0.12 0.95 -0.22 0.00 -0.71 0.00 0.00 52.86 53.00 1r63 s ASN 16 Cb -0.11 -1.50 0.05 0.00 0.41 0.00 0.00 41.25 40.10 1r63 s ASN 16 CO 0.02 -2.79 1.62 1.56 -1.51 0.00 0.00 177.10 176.00 1r63 h GLN 17 N -1.66 -0.22 0.87 -0.60 4.20 -1.98 0.18 115.11 115.91 1r63 h GLN 17 Ca -0.51 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 1r63 h GLN 17 Cb 1.33 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1r63 h GLN 17 CO 0.58 -0.14 -0.46 0.00 -0.67 0.00 0.00 178.83 178.14 1r63 h ALA 18 N 0.87 -1.25 -0.72 3.87 0.00 -1.93 0.30 119.26 120.39 1r63 h ALA 18 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1r63 h ALA 18 Cb 0.47 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1r63 h ALA 18 CO -0.43 -1.21 0.48 0.93 0.00 0.00 0.00 179.25 179.01 1r63 h GLU 19 N -1.23 0.87 0.83 0.00 3.07 -1.93 0.22 114.58 116.41 1r63 h GLU 19 Ca -0.12 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.65 1r63 h GLU 19 Cb 0.96 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1r63 h GLU 19 CO 0.17 0.57 -0.46 1.25 -1.40 0.00 0.00 179.01 179.14 1r63 h LEU 20 N 0.89 -1.14 -0.86 1.33 6.46 -0.79 -2.24 115.31 118.96 1r63 h LEU 20 Ca 0.29 0.05 0.22 0.00 -0.12 0.00 0.00 57.88 58.32 1r63 h LEU 20 Cb 0.03 0.32 -0.14 0.00 -0.73 0.00 0.00 40.66 40.14 1r63 h LEU 20 CO -0.08 -0.74 0.25 0.00 -0.62 0.00 0.00 178.44 177.25 1r63 h ALA 21 N -1.30 1.26 -0.21 1.25 0.00 0.56 0.12 119.26 120.94 1r63 h ALA 21 Ca -0.11 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1r63 h ALA 21 Cb 0.94 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1r63 h ALA 21 CO 0.15 -0.44 -0.50 1.96 0.00 0.00 0.00 179.25 180.42 1r63 h GLN 22 N 0.23 -0.49 -0.28 0.00 7.50 -0.53 0.29 115.11 121.84 1r63 h GLN 22 Ca 0.54 0.03 -0.12 0.00 0.50 0.00 0.00 58.65 59.60 1r63 h GLN 22 Cb 1.06 0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.69 1r63 h GLN 22 CO -0.63 -0.32 -0.31 1.57 -1.50 0.00 0.00 178.83 177.64 1r63 h LYS 23 N -0.50 0.59 -0.38 1.46 2.10 -0.24 -1.15 116.57 118.45 1r63 h LYS 23 Ca 0.06 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1r63 h LYS 23 Cb 0.65 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 1r63 h LYS 23 CO -0.47 0.83 0.25 0.28 -2.00 0.00 0.00 179.45 178.34 1r63 h VAL 24 N 0.51 1.10 -3.50 0.07 2.07 -0.60 -3.47 116.25 112.42 1r63 h VAL 24 Ca 0.06 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1r63 h VAL 24 Cb 0.78 0.54 0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1r63 h VAL 24 CO 0.06 0.09 -0.34 0.61 0.02 0.00 0.00 177.57 178.01 1r63 n GLY 25 N -1.48 0.16 1.16 2.17 0.00 0.84 -4.99 105.19 103.07 1r63 n GLY 25 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1r63 n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r63 n THR 26 N -3.20 0.00 -3.64 2.61 5.66 -0.18 -5.03 114.28 110.50 1r63 n THR 26 Ca -0.06 -0.79 -0.31 0.00 -3.05 0.00 0.00 64.05 59.85 1r63 n THR 26 Cb 0.55 0.21 -0.04 0.00 -1.55 0.00 0.00 70.33 69.50 1r63 n THR 26 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1r63 s THR 27 N -1.80 5.15 0.24 1.09 -4.23 -1.26 -4.12 115.64 110.70 1r63 s THR 27 Ca 0.03 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1r63 s THR 27 Cb 0.00 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.40 1r63 s THR 27 CO 0.02 -0.02 1.72 -0.61 -0.54 0.00 0.00 174.62 175.19 1r63 h GLN 28 N 2.61 0.39 -0.86 3.99 4.15 -1.88 -0.18 115.11 123.33 1r63 h GLN 28 Ca -0.46 -0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.09 1r63 h GLN 28 Cb 1.17 -0.09 -0.16 0.00 0.21 0.00 0.00 27.48 28.62 1r63 h GLN 28 CO 0.71 0.26 -0.30 0.37 -1.93 0.00 0.00 178.83 177.95 1r63 h GLN 29 N 0.41 -0.03 -0.66 1.69 -0.00 -1.96 0.32 115.11 114.87 1r63 h GLN 29 Ca 0.39 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 59.13 1r63 h GLN 29 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.04 1r63 h GLN 29 CO -0.40 -0.02 0.44 0.77 0.00 0.00 0.00 178.83 179.61 1r63 h SER 30 N -0.03 0.51 0.20 -0.69 0.02 -1.42 0.20 113.55 112.34 1r63 h SER 30 Ca 0.36 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 61.09 1r63 h SER 30 Cb 0.61 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.06 1r63 h SER 30 CO -0.89 0.32 -0.92 0.40 -1.14 0.00 0.00 176.83 174.59 1r63 h ILE 31 N 0.58 1.36 0.15 3.27 5.03 -0.46 -3.20 117.51 124.24 1r63 h ILE 31 Ca 0.30 -2.32 -0.01 0.00 -0.12 0.00 0.00 64.86 62.71 1r63 h ILE 31 Cb 0.40 2.33 0.00 0.00 -3.03 0.00 0.00 36.82 36.52 1r63 h ILE 31 CO -0.09 0.70 -0.07 -0.08 -0.68 0.00 0.00 178.15 177.93 1r63 h GLU 32 N 0.30 -0.19 -0.74 2.37 4.57 0.23 -0.51 114.58 120.62 1r63 h GLU 32 Ca -0.08 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.24 1r63 h GLU 32 Cb 1.56 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 30.14 1r63 h GLU 32 CO 0.17 0.03 0.49 -0.56 -1.18 0.00 0.00 179.01 177.96 1r63 h GLN 33 N -0.39 0.45 0.40 1.92 3.07 -1.08 0.51 115.11 120.00 1r63 h GLN 33 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 1r63 h GLN 33 Cb 0.31 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1r63 h GLN 33 CO 0.03 0.30 -0.19 1.25 0.09 0.00 0.00 178.83 180.31 1r63 h LEU 34 N 0.47 -0.45 -1.41 0.06 5.85 -1.27 -1.38 115.31 117.16 1r63 h LEU 34 Ca 0.36 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1r63 h LEU 34 Cb 0.73 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1r63 h LEU 34 CO -0.12 -0.18 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.65 1r63 h GLU 35 N -0.73 0.30 0.00 1.25 4.22 -0.70 -0.33 114.58 118.59 1r63 h GLU 35 Ca -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1r63 h GLU 35 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1r63 h GLU 35 CO 0.09 0.39 0.00 0.09 -2.18 0.00 0.00 179.01 177.40 1r63 n ASN 36 N -4.30 0.49 -0.72 1.04 3.02 0.13 -4.63 115.26 110.29 1r63 n ASN 36 Ca -0.00 0.65 -0.06 0.00 -0.03 0.00 0.00 54.58 55.14 1r63 n ASN 36 Cb 0.24 -0.74 -0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1r63 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r63 n GLY 37 N -0.43 0.12 0.07 7.41 0.00 -0.13 -4.96 105.19 107.27 1r63 n GLY 37 Ca 0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1r63 n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r63 h LYS 38 N -0.02 0.03 -6.28 1.61 1.63 -1.46 -3.46 116.57 108.63 1r63 h LYS 38 Ca -0.15 -0.03 -0.54 0.00 -0.85 0.00 0.00 60.65 59.08 1r63 h LYS 38 Cb 1.11 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.71 1r63 h LYS 38 CO 0.17 0.83 0.20 0.99 -3.45 0.00 0.00 179.45 178.19 1r63 s THR 39 N -2.99 4.81 -0.17 1.00 2.01 -1.26 -4.97 115.64 114.07 1r63 s THR 39 Ca -0.18 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.54 1r63 s THR 39 Cb -0.01 -4.15 -0.12 0.00 0.01 0.00 0.00 72.50 68.23 1r63 s THR 39 CO 0.69 0.30 -0.14 2.29 -0.69 0.00 0.00 174.62 177.07 1r63 n LYS 40 N 3.21 0.56 -3.56 4.92 2.85 -1.26 -4.71 118.16 120.16 1r63 n LYS 40 Ca -0.00 0.09 -0.28 0.00 -1.05 0.00 0.00 58.31 57.07 1r63 n LYS 40 Cb 0.50 -1.36 -0.11 0.00 -0.65 0.00 0.00 35.03 33.42 1r63 n LYS 40 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1r63 s ARG 41 N -2.35 1.38 0.84 -1.58 6.06 -1.26 -5.03 118.95 117.01 1r63 s ARG 41 Ca -0.23 -2.45 -0.12 0.00 -2.50 0.00 0.00 55.73 50.43 1r63 s ARG 41 Cb 0.06 -2.07 0.10 0.00 0.06 0.00 0.00 34.95 33.10 1r63 s ARG 41 CO 0.43 -1.34 1.17 -1.25 -2.50 0.00 0.00 175.30 171.81 1r63 s PRO 42 N -0.35 1.49 -0.02 5.12 0.04 -1.26 -4.97 135.00 135.05 1r63 s PRO 42 Ca 0.29 1.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.73 1r63 s PRO 42 Cb -0.01 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.60 1r63 s PRO 42 CO -0.17 -2.30 1.07 0.00 0.04 0.00 0.00 177.00 175.64 1r63 h ARG 43 N -1.24 -0.30 -0.99 4.56 3.08 -2.02 -3.32 114.38 114.16 1r63 h ARG 43 Ca -0.45 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1r63 h ARG 43 Cb 1.28 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1r63 h ARG 43 CO 0.45 0.07 0.00 1.97 -1.07 0.00 0.00 179.97 181.39 1r63 n PHE 44 N -5.03 0.00 -0.05 3.04 1.16 -1.26 -4.38 117.46 110.94 1r63 n PHE 44 Ca -0.09 -0.19 -0.08 0.00 -1.87 0.00 0.00 57.45 55.23 1r63 n PHE 44 Cb 0.26 -0.14 -0.01 0.00 -1.61 0.00 0.00 39.48 37.97 1r63 n PHE 44 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1r63 h LEU 45 N 0.67 -0.39 -0.09 5.98 6.46 -1.97 -0.02 115.31 125.95 1r63 h LEU 45 Ca 0.00 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1r63 h LEU 45 Cb 0.58 0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.68 1r63 h LEU 45 CO 0.00 -0.15 -0.24 -0.65 -0.62 0.00 0.00 178.44 176.78 1r63 h PRO 46 N -0.08 -0.31 -0.23 5.25 0.11 -1.92 0.77 132.00 135.58 1r63 h PRO 46 Ca 0.13 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1r63 h PRO 46 Cb 0.28 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1r63 h PRO 46 CO -0.30 -0.21 0.15 0.93 -0.21 0.00 0.00 178.00 178.36 1r63 h GLU 47 N -0.33 0.30 -0.57 1.05 3.07 -1.79 0.17 114.58 116.48 1r63 h GLU 47 Ca 0.09 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1r63 h GLU 47 Cb 0.46 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1r63 h GLU 47 CO -0.28 0.20 0.26 1.25 -1.40 0.00 0.00 179.01 179.04 1r63 h LEU 48 N 0.30 0.76 -0.83 1.33 6.46 -0.83 0.13 115.31 122.63 1r63 h LEU 48 Ca 0.08 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1r63 h LEU 48 Cb -0.03 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 39.64 1r63 h LEU 48 CO -0.02 0.69 0.52 0.00 -0.62 0.00 0.00 178.44 179.01 1r63 h ALA 49 N 1.10 1.13 -0.23 1.25 0.00 -0.42 0.35 119.26 122.43 1r63 h ALA 49 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r63 h ALA 49 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1r63 h ALA 49 CO -0.02 0.30 0.11 1.03 0.00 0.00 0.00 179.25 180.67 1r63 h SER 50 N 0.98 0.17 -0.64 0.00 0.87 0.20 0.58 113.55 115.72 1r63 h SER 50 Ca 0.35 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.83 1r63 h SER 50 Cb 0.10 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1r63 h SER 50 CO -0.15 0.13 0.06 0.00 -0.53 0.00 0.00 176.83 176.34 1r63 h ALA 51 N 1.11 0.86 0.00 6.23 0.00 0.07 -0.63 119.26 126.90 1r63 h ALA 51 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r63 h ALA 51 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1r63 h ALA 51 CO -0.06 0.66 0.00 -0.11 0.00 0.00 0.00 179.25 179.74 1r63 n LEU 52 N -4.21 0.70 -3.15 0.00 7.94 0.03 -4.97 117.00 113.34 1r63 n LEU 52 Ca 0.04 0.57 -0.15 0.00 -1.11 0.00 0.00 56.01 55.36 1r63 n LEU 52 Cb 0.32 -0.35 0.08 0.00 0.53 0.00 0.00 43.42 44.00 1r63 n LEU 52 CO 0.44 -0.16 0.08 0.61 -1.11 0.00 0.00 177.39 177.25 1r63 n GLY 53 N 1.31 -0.42 3.33 -3.96 0.00 0.19 -5.00 105.19 100.65 1r63 n GLY 53 Ca 0.06 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1r63 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r63 s VAL 54 N -3.33 0.81 0.46 1.61 -7.23 -0.28 -5.01 120.40 107.43 1r63 s VAL 54 Ca 0.09 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 1r63 s VAL 54 Cb -0.01 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 1r63 s VAL 54 CO 0.65 -0.15 1.30 -0.94 -0.31 0.00 0.00 175.10 175.65 1r63 s SER 55 N -3.32 5.94 0.09 4.85 1.04 -1.26 -4.30 113.70 116.73 1r63 s SER 55 Ca 0.33 2.63 -0.21 0.00 0.48 0.00 0.00 55.95 59.18 1r63 s SER 55 Cb 0.07 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1r63 s SER 55 CO 0.11 -1.10 1.66 0.58 0.98 0.00 0.00 173.24 175.47 1r63 h VAL 56 N 2.02 1.13 -0.26 5.02 2.07 -1.91 -2.86 116.25 121.46 1r63 h VAL 56 Ca -0.50 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1r63 h VAL 56 Cb 1.26 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1r63 h VAL 56 CO 0.60 0.12 -0.21 0.44 0.02 0.00 0.00 177.57 178.53 1r63 h ASP 57 N 0.11 -0.69 -0.19 0.57 5.19 -1.98 0.23 116.42 119.66 1r63 h ASP 57 Ca 0.05 0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1r63 h ASP 57 Cb 0.12 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 1r63 h ASP 57 CO -0.01 -0.25 0.00 -0.25 -3.12 0.00 0.00 179.24 175.62 1r63 h TRP 58 N -0.21 -0.00 -0.73 4.55 7.01 -1.84 -1.13 115.95 123.60 1r63 h TRP 58 Ca 0.14 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 1r63 h TRP 58 Cb 0.43 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 1r63 h TRP 58 CO -0.38 -0.02 0.32 -0.07 -2.79 0.00 0.00 178.44 175.49 1r63 h LEU 59 N 0.07 0.99 0.30 0.65 3.38 -1.13 0.11 115.31 119.68 1r63 h LEU 59 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1r63 h LEU 59 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1r63 h LEU 59 CO -0.15 0.88 -0.36 0.25 0.09 0.00 0.00 178.44 179.15 1r63 h LEU 60 N 1.04 -0.98 0.21 1.67 6.46 -0.12 -3.29 115.31 120.31 1r63 h LEU 60 Ca 0.25 0.09 -0.34 0.00 -0.12 0.00 0.00 57.88 57.76 1r63 h LEU 60 Cb 0.18 0.34 0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1r63 h LEU 60 CO -0.02 -0.48 -1.61 -1.13 -0.62 0.00 0.00 178.44 174.58 1r63 h ASN 61 N -0.70 0.70 0.00 1.25 -0.73 -1.19 -3.48 115.58 111.43 1r63 h ASN 61 Ca -0.01 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.23 1r63 h ASN 61 Cb 0.65 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1r63 h ASN 61 CO -0.10 1.75 0.00 0.61 -0.37 0.00 0.00 177.43 179.32 1r63 n GLY 62 N 1.80 0.54 0.00 1.57 0.00 0.37 -4.84 105.19 104.62 1r63 n GLY 62 Ca -0.21 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1r63 n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02