#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 1.27 -0.66 -1.33 6.09 -1.94 -2.23 117.51 118.72 1r63 h ILE 2 Ca 0.00 -1.48 0.06 0.00 -1.37 0.00 0.00 64.86 62.07 1r63 h ILE 2 Cb 0.00 1.29 -0.08 0.00 0.47 0.00 0.00 36.82 38.51 1r63 h ILE 2 CO 0.00 0.50 -0.39 -0.24 -3.07 0.00 0.00 178.15 174.95 1r63 n SER 3 N -4.10 -0.70 -0.36 2.19 2.88 -1.26 -1.20 113.62 111.07 1r63 n SER 3 Ca -0.01 1.25 0.03 0.00 -1.33 0.00 0.00 58.87 58.81 1r63 n SER 3 Cb 0.51 -0.19 0.19 0.00 -0.75 0.00 0.00 64.21 63.96 1r63 n SER 3 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1r63 h SER 4 N 0.00 1.01 0.35 -3.46 0.87 -1.67 0.42 113.55 111.08 1r63 h SER 4 Ca 0.10 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1r63 h SER 4 Cb 0.27 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1r63 h SER 4 CO -0.62 0.64 -0.17 0.03 -0.53 0.00 0.00 176.83 176.19 1r63 h ARG 5 N 1.15 -0.46 0.41 2.24 3.08 -1.02 0.14 114.38 119.92 1r63 h ARG 5 Ca 0.43 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.50 1r63 h ARG 5 Cb 0.19 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1r63 h ARG 5 CO -0.17 -0.29 -0.40 0.28 -1.07 0.00 0.00 179.97 178.31 1r63 h VAL 6 N -0.50 0.18 -0.60 2.04 2.07 -0.44 0.66 116.25 119.67 1r63 h VAL 6 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1r63 h VAL 6 Cb 0.38 0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 30.23 1r63 h VAL 6 CO 0.08 0.00 -0.53 0.50 0.02 0.00 0.00 177.57 177.64 1r63 h LYS 7 N -0.83 -0.25 -0.43 1.57 1.63 -0.95 0.11 116.57 117.42 1r63 h LYS 7 Ca -0.04 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1r63 h LYS 7 Cb 0.74 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.38 1r63 h LYS 7 CO -0.06 -0.17 0.15 0.77 -3.45 0.00 0.00 179.45 176.69 1r63 h SER 8 N -0.26 0.15 -0.38 4.20 0.02 -0.35 -2.33 113.55 114.60 1r63 h SER 8 Ca 0.13 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1r63 h SER 8 Cb 0.55 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1r63 h SER 8 CO -0.71 0.12 0.08 0.50 -1.14 0.00 0.00 176.83 175.68 1r63 h LYS 9 N 0.31 0.61 -0.86 3.45 1.63 -0.20 -2.05 116.57 119.47 1r63 h LYS 9 Ca 0.20 -0.16 0.14 0.00 -0.85 0.00 0.00 60.65 59.99 1r63 h LYS 9 Cb 0.20 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.66 1r63 h LYS 9 CO -0.21 0.66 0.46 -0.09 -3.45 0.00 0.00 179.45 176.81 1r63 h ARG 10 N 0.46 0.64 -0.16 1.90 2.43 -0.25 0.30 114.38 119.71 1r63 h ARG 10 Ca 0.12 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1r63 h ARG 10 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1r63 h ARG 10 CO 0.00 0.42 -0.59 0.82 -1.51 0.00 0.00 179.97 179.12 1r63 h ILE 11 N 0.66 1.33 -0.33 1.20 5.03 -1.32 0.10 117.51 124.18 1r63 h ILE 11 Ca 0.47 -1.87 0.03 0.00 -0.12 0.00 0.00 64.86 63.36 1r63 h ILE 11 Cb 0.64 1.85 -0.03 0.00 -3.03 0.00 0.00 36.82 36.25 1r63 h ILE 11 CO -0.35 0.57 0.15 0.06 -0.68 0.00 0.00 178.15 177.90 1r63 h GLN 12 N 0.38 0.31 -0.57 2.37 -0.00 0.23 -1.08 115.11 116.75 1r63 h GLN 12 Ca -0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.68 1r63 h GLN 12 Cb 1.13 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.48 28.50 1r63 h GLN 12 CO 0.11 0.20 0.30 -0.07 -0.00 0.00 0.00 178.83 179.37 1r63 h LEU 13 N 0.32 0.43 0.00 0.06 -0.00 -0.77 -3.46 115.31 111.88 1r63 h LEU 13 Ca 0.14 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1r63 h LEU 13 Cb 0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1r63 h LEU 13 CO -0.11 0.29 0.00 0.61 -0.00 0.00 0.00 178.44 179.23 1r63 n GLY 14 N -1.26 0.71 3.50 0.83 0.00 0.34 -5.05 105.19 104.25 1r63 n GLY 14 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.52 1.02 0.99 1.43 -1.17 -4.98 118.68 119.49 1r63 s LEU 15 Ca 0.00 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1r63 s LEU 15 Cb 0.00 -1.92 0.20 0.00 0.03 0.00 0.00 46.19 44.49 1r63 s LEU 15 CO 0.00 0.03 1.15 0.54 0.23 0.00 0.00 176.35 178.30 1r63 s ASN 16 N 1.23 2.55 0.41 2.29 2.20 -1.26 -4.40 114.94 117.95 1r63 s ASN 16 Ca 0.05 0.78 0.15 0.00 -0.94 0.00 0.00 52.86 52.90 1r63 s ASN 16 Cb -0.14 -1.19 1.01 0.00 -2.00 0.00 0.00 41.25 38.93 1r63 s ASN 16 CO 0.03 -3.13 1.89 -0.61 -2.94 0.00 0.00 177.10 172.34 1r63 h GLN 17 N -1.90 0.46 0.61 3.55 4.15 -1.97 0.21 115.11 120.21 1r63 h GLN 17 Ca -0.49 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 58.88 1r63 h GLN 17 Cb 1.31 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.90 1r63 h GLN 17 CO 0.49 0.30 -0.29 0.00 -1.93 0.00 0.00 178.83 177.40 1r63 h ALA 18 N 1.62 -0.82 0.05 3.38 0.00 -1.92 0.13 119.26 121.71 1r63 h ALA 18 Ca 0.42 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1r63 h ALA 18 Cb 0.93 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1r63 h ALA 18 CO -0.16 -0.90 -0.32 0.93 0.00 0.00 0.00 179.25 178.81 1r63 h GLU 19 N -0.94 -0.48 -0.11 0.00 4.39 -1.50 -0.51 114.58 115.42 1r63 h GLU 19 Ca -0.08 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.69 1r63 h GLU 19 Cb 0.67 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.37 1r63 h GLU 19 CO 0.14 -0.32 -0.30 1.25 -1.16 0.00 0.00 179.01 178.62 1r63 h LEU 20 N -0.50 -0.92 -0.71 1.33 7.12 -0.68 0.11 115.31 121.06 1r63 h LEU 20 Ca 0.05 0.14 0.15 0.00 0.13 0.00 0.00 57.88 58.34 1r63 h LEU 20 Cb 0.56 0.39 -0.11 0.00 -0.53 0.00 0.00 40.66 40.98 1r63 h LEU 20 CO -0.23 -0.34 0.16 0.00 -0.13 0.00 0.00 178.44 177.90 1r63 h ALA 21 N 0.46 0.89 -0.66 1.25 0.00 -0.48 -0.20 119.26 120.53 1r63 h ALA 21 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1r63 h ALA 21 Cb 0.52 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1r63 h ALA 21 CO -0.33 -0.33 0.42 0.37 0.00 0.00 0.00 179.25 179.38 1r63 h GLN 22 N 0.26 0.87 -0.65 0.00 5.75 0.62 0.46 115.11 122.42 1r63 h GLN 22 Ca 0.39 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1r63 h GLN 22 Cb 0.66 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1r63 h GLN 22 CO -0.50 0.60 0.20 0.87 -2.65 0.00 0.00 178.83 177.35 1r63 h LYS 23 N 0.89 1.02 0.00 1.69 6.56 0.10 -0.82 116.57 126.01 1r63 h LYS 23 Ca 0.24 -0.22 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 1r63 h LYS 23 Cb -0.07 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.44 1r63 h LYS 23 CO -0.05 0.89 -0.19 0.28 -2.06 0.00 0.00 179.45 178.32 1r63 h VAL 24 N 0.95 0.77 -2.20 0.50 2.07 -0.62 -3.45 116.25 114.27 1r63 h VAL 24 Ca 0.21 -0.77 -0.26 0.00 0.82 0.00 0.00 66.70 66.70 1r63 h VAL 24 Cb 0.30 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1r63 h VAL 24 CO -0.01 0.19 -0.35 0.61 0.02 0.00 0.00 177.57 178.03 1r63 n GLY 25 N -0.57 -0.15 0.00 2.17 0.00 0.14 -4.91 105.19 101.87 1r63 n GLY 25 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.02 0.00 -4.16 2.61 5.66 -0.05 -4.99 114.28 109.33 1r63 n THR 26 Ca -0.13 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.56 1r63 n THR 26 Cb 0.61 -0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 68.84 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 0.30 4.10 0.24 1.09 -4.23 -1.26 -4.06 115.64 111.83 1r63 s THR 27 Ca 0.00 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 1r63 s THR 27 Cb 0.00 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.21 1r63 s THR 27 CO 0.00 0.18 1.55 -0.61 -0.54 0.00 0.00 174.62 175.20 1r63 h GLN 28 N 3.63 -0.00 -0.70 3.99 -0.00 -1.88 0.13 115.11 120.28 1r63 h GLN 28 Ca -0.48 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.19 1r63 h GLN 28 Cb 1.17 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.61 1r63 h GLN 28 CO 0.60 -0.00 0.46 0.37 0.00 0.00 0.00 178.83 180.25 1r63 h GLN 29 N -0.00 0.89 -0.79 1.69 -0.00 -1.95 0.60 115.11 115.55 1r63 h GLN 29 Ca 0.38 -0.05 0.02 0.00 -0.00 0.00 0.00 58.65 59.00 1r63 h GLN 29 Cb 0.63 -0.20 -0.04 0.00 0.00 0.00 0.00 27.48 27.86 1r63 h GLN 29 CO -1.00 0.59 0.51 0.77 0.00 0.00 0.00 178.83 179.70 1r63 h SER 30 N 0.92 0.86 -0.23 -0.69 0.02 -1.19 -1.40 113.55 111.84 1r63 h SER 30 Ca 0.27 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1r63 h SER 30 Cb -0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1r63 h SER 30 CO -0.07 0.61 0.13 0.40 -1.14 0.00 0.00 176.83 176.75 1r63 h ILE 31 N 1.01 1.11 -0.44 3.27 1.08 -0.14 -3.24 117.51 120.16 1r63 h ILE 31 Ca 0.31 -0.29 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 1r63 h ILE 31 Cb -0.04 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 34.52 1r63 h ILE 31 CO -0.09 0.11 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.38 1r63 h GLU 32 N 0.27 0.09 -0.19 2.37 4.81 0.11 0.16 114.58 122.20 1r63 h GLU 32 Ca 0.08 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1r63 h GLU 32 Cb 0.06 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1r63 h GLU 32 CO -0.01 0.06 0.15 -0.56 -0.73 0.00 0.00 179.01 177.91 1r63 h GLN 33 N 0.09 0.00 0.04 1.92 3.07 -1.38 0.14 115.11 118.99 1r63 h GLN 33 Ca 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.86 1r63 h GLN 33 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 1r63 h GLN 33 CO -0.38 0.00 -0.51 1.25 0.09 0.00 0.00 178.83 179.29 1r63 h LEU 34 N 0.00 0.12 -1.98 0.06 5.85 -0.84 -3.30 115.31 115.22 1r63 h LEU 34 Ca 0.09 -0.89 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1r63 h LEU 34 Cb 0.39 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1r63 h LEU 34 CO -0.00 1.22 -0.03 -0.08 -0.34 0.00 0.00 178.44 179.21 1r63 h GLU 35 N -0.82 0.00 0.00 1.25 4.81 -0.53 0.25 114.58 119.54 1r63 h GLU 35 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1r63 h GLU 35 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1r63 h GLU 35 CO -0.00 0.03 0.00 0.09 -0.73 0.00 0.00 179.01 178.39 1r63 n ASN 36 N -4.45 0.25 0.00 1.04 3.02 0.45 -4.43 115.26 111.14 1r63 n ASN 36 Ca -0.03 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1r63 n ASN 36 Cb 0.11 -0.63 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 -0.60 0.22 0.13 7.41 0.00 0.88 -4.81 105.19 108.43 1r63 n GLY 37 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1r63 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r63 n LYS 38 N -0.75 0.57 -2.21 1.61 5.02 -1.24 -4.85 118.16 116.31 1r63 n LYS 38 Ca 0.00 -0.27 -0.28 0.00 -2.02 0.00 0.00 58.31 55.74 1r63 n LYS 38 Cb 0.27 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1r63 n LYS 38 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1r63 s THR 39 N -2.61 3.87 0.00 -0.18 2.01 -1.24 -5.06 115.64 112.43 1r63 s THR 39 Ca 0.23 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1r63 s THR 39 Cb 0.19 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1r63 s THR 39 CO 0.53 -0.64 0.00 0.29 -0.69 0.00 0.00 174.62 174.11 1r63 n LYS 40 N -2.70 0.00 -3.67 4.92 4.76 -1.26 -5.00 118.16 115.21 1r63 n LYS 40 Ca 0.05 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.10 1r63 n LYS 40 Cb 0.57 -0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.64 1r63 n LYS 40 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1r63 s ARG 41 N 0.00 2.65 0.54 1.97 3.52 -1.26 -5.10 118.95 121.26 1r63 s ARG 41 Ca 0.00 -1.25 -0.18 0.00 -0.13 0.00 0.00 55.73 54.16 1r63 s ARG 41 Cb 0.00 -3.62 -0.06 0.00 -1.56 0.00 0.00 34.95 29.71 1r63 s ARG 41 CO 0.00 -0.77 1.06 -1.25 -0.81 0.00 0.00 175.30 173.53 1r63 s PRO 42 N 1.44 3.55 0.00 5.12 0.04 -1.26 -4.92 135.00 138.98 1r63 s PRO 42 Ca 0.01 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 1r63 s PRO 42 Cb -0.20 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.14 1r63 s PRO 42 CO 0.03 -0.63 2.39 -2.13 0.04 0.00 0.00 177.00 176.70 1r63 n ARG 43 N -1.44 1.24 -0.97 4.56 0.63 -1.26 -2.94 116.66 116.49 1r63 n ARG 43 Ca 0.09 -0.52 -0.03 0.00 -0.92 0.00 0.00 57.85 56.48 1r63 n ARG 43 Cb 0.52 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.76 1r63 n ARG 43 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1r63 n PHE 44 N 2.35 -0.17 0.45 -0.14 -1.74 -1.26 -5.01 117.46 111.94 1r63 n PHE 44 Ca 0.22 -0.34 -0.20 0.00 -0.56 0.00 0.00 57.45 56.58 1r63 n PHE 44 Cb 0.58 0.48 -0.10 0.00 1.52 0.00 0.00 39.48 41.97 1r63 n PHE 44 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1r63 h LEU 45 N 0.08 -1.21 -1.42 5.98 6.46 -1.93 0.11 115.31 123.37 1r63 h LEU 45 Ca -0.26 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1r63 h LEU 45 Cb 0.97 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 1r63 h LEU 45 CO -0.13 -0.76 0.39 1.55 -0.62 0.00 0.00 178.44 178.87 1r63 h PRO 46 N -1.23 0.78 -0.29 5.25 0.13 -1.95 -0.68 132.00 134.02 1r63 h PRO 46 Ca -0.11 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1r63 h PRO 46 Cb 0.97 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1r63 h PRO 46 CO 0.13 0.52 0.08 0.93 -0.23 0.00 0.00 178.00 179.42 1r63 h GLU 47 N 0.80 0.45 -0.28 0.86 5.08 -1.89 0.29 114.58 119.89 1r63 h GLU 47 Ca 0.22 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1r63 h GLU 47 Cb -0.09 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1r63 h GLU 47 CO -0.05 0.53 0.00 1.25 -1.00 0.00 0.00 179.01 179.75 1r63 h LEU 48 N 0.30 -0.10 -0.94 1.33 5.85 -0.42 -0.26 115.31 121.06 1r63 h LEU 48 Ca 0.09 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.02 1r63 h LEU 48 Cb 0.28 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1r63 h LEU 48 CO -0.00 -0.02 0.55 0.00 -0.34 0.00 0.00 178.44 178.63 1r63 h ALA 49 N 1.24 1.46 0.66 1.25 0.00 -0.33 0.74 119.26 124.29 1r63 h ALA 49 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1r63 h ALA 49 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1r63 h ALA 49 CO -0.22 0.01 -0.32 1.03 0.00 0.00 0.00 179.25 179.75 1r63 h SER 50 N 0.77 -0.75 -0.22 0.00 0.87 0.39 0.18 113.55 114.79 1r63 h SER 50 Ca 0.51 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 61.13 1r63 h SER 50 Cb 0.68 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 1r63 h SER 50 CO -0.34 -0.37 -0.02 0.00 -0.53 0.00 0.00 176.83 175.58 1r63 h ALA 51 N -1.22 0.18 0.00 6.23 0.00 -0.68 -0.74 119.26 123.02 1r63 h ALA 51 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r63 h ALA 51 Cb 0.69 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1r63 h ALA 51 CO 0.15 -0.44 0.00 -0.11 0.00 0.00 0.00 179.25 178.84 1r63 n LEU 52 N -5.17 0.62 -2.25 0.00 7.94 0.22 -4.96 117.00 113.41 1r63 n LEU 52 Ca -0.02 0.58 -0.07 0.00 -1.11 0.00 0.00 56.01 55.40 1r63 n LEU 52 Cb 0.12 -0.42 0.03 0.00 0.53 0.00 0.00 43.42 43.69 1r63 n LEU 52 CO 0.25 -0.26 0.02 0.61 -1.11 0.00 0.00 177.39 176.90 1r63 n GLY 53 N 0.94 0.00 3.30 -3.96 0.00 0.40 -4.96 105.19 100.91 1r63 n GLY 53 Ca 0.05 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.17 0.00 0.48 1.61 -7.23 0.15 -5.03 120.40 107.21 1r63 s VAL 54 Ca 0.17 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.34 1r63 s VAL 54 Cb -0.02 -2.44 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 1r63 s VAL 54 CO 0.33 0.00 0.92 -0.94 -0.31 0.00 0.00 175.10 175.10 1r63 s SER 55 N -3.14 6.57 0.16 4.85 1.04 -1.26 -4.40 113.70 117.53 1r63 s SER 55 Ca 0.35 1.42 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 1r63 s SER 55 Cb 0.05 -2.45 0.08 0.00 0.10 0.00 0.00 66.02 63.80 1r63 s SER 55 CO 0.12 -0.54 1.65 0.58 0.98 0.00 0.00 173.24 176.04 1r63 h VAL 56 N 0.92 0.53 -0.77 5.02 2.07 -1.92 -2.55 116.25 119.54 1r63 h VAL 56 Ca -0.47 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1r63 h VAL 56 Cb 1.19 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1r63 h VAL 56 CO 0.62 0.00 0.37 -2.24 0.02 0.00 0.00 177.57 176.34 1r63 h ASP 57 N -0.08 0.99 -0.23 0.57 2.03 -1.97 0.15 116.42 117.88 1r63 h ASP 57 Ca 0.18 -0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 56.35 1r63 h ASP 57 Cb 0.35 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.58 1r63 h ASP 57 CO -0.41 0.84 0.10 -0.25 -1.03 0.00 0.00 179.24 178.48 1r63 h TRP 58 N 1.09 0.40 0.10 4.15 7.01 -1.83 0.11 115.95 126.98 1r63 h TRP 58 Ca 0.26 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 1r63 h TRP 58 Cb 0.11 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1r63 h TRP 58 CO 0.01 0.34 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.89 1r63 h LEU 59 N 0.41 -0.11 0.00 0.65 3.38 -1.09 -3.28 115.31 115.26 1r63 h LEU 59 Ca 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1r63 h LEU 59 Cb 0.12 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1r63 h LEU 59 CO -0.01 0.52 0.00 -0.11 0.09 0.00 0.00 178.44 178.94 1r63 n LEU 60 N -4.83 0.00 -0.08 1.67 7.94 0.47 -4.35 117.00 117.82 1r63 n LEU 60 Ca -0.06 0.96 -0.10 0.00 -1.11 0.00 0.00 56.01 55.70 1r63 n LEU 60 Cb 0.25 -0.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.69 1r63 n LEU 60 CO 0.21 -0.46 -0.41 0.59 -1.11 0.00 0.00 177.39 176.21 1r63 n ASN 61 N -2.02 1.82 0.00 1.96 3.02 -0.17 -5.07 115.26 114.80 1r63 n ASN 61 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1r63 n ASN 61 Cb 0.00 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1r63 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r63 n GLY 62 N 1.56 1.49 0.00 7.41 0.00 0.21 -4.99 105.19 110.87 1r63 n GLY 62 Ca -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95