#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 0.44 -0.35 0.44 2.10 -1.93 -2.32 117.51 115.89 1r63 h ILE 2 Ca 0.00 -0.06 0.07 0.00 1.08 0.00 0.00 64.86 65.96 1r63 h ILE 2 Cb 0.00 0.46 -0.09 0.00 -1.09 0.00 0.00 36.82 36.11 1r63 h ILE 2 CO 0.00 0.01 -0.33 0.77 -1.08 0.00 0.00 178.15 177.52 1r63 h SER 3 N -0.79 -1.07 -0.30 2.19 4.64 -1.85 0.43 113.55 116.80 1r63 h SER 3 Ca -0.08 0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1r63 h SER 3 Cb 0.60 0.49 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 1r63 h SER 3 CO 0.13 -0.33 -0.11 -1.28 -0.87 0.00 0.00 176.83 174.37 1r63 h SER 4 N -0.28 -0.38 0.28 4.97 0.87 -1.87 0.85 113.55 118.00 1r63 h SER 4 Ca 0.16 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1r63 h SER 4 Cb 0.54 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1r63 h SER 4 CO -0.50 -0.14 -0.21 0.03 -0.53 0.00 0.00 176.83 175.48 1r63 h ARG 5 N -0.05 -0.48 0.42 2.24 3.08 -0.74 0.75 114.38 119.60 1r63 h ARG 5 Ca 0.15 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1r63 h ARG 5 Cb 0.28 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1r63 h ARG 5 CO -0.33 -0.32 -0.20 0.28 -1.07 0.00 0.00 179.97 178.33 1r63 h VAL 6 N -0.50 0.59 0.10 2.04 2.07 -0.49 0.78 116.25 120.84 1r63 h VAL 6 Ca -0.02 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1r63 h VAL 6 Cb 0.43 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1r63 h VAL 6 CO -0.00 0.01 -0.10 0.50 0.02 0.00 0.00 177.57 178.00 1r63 h LYS 7 N -0.60 -0.21 -0.26 1.57 3.64 -0.87 -0.21 116.57 119.64 1r63 h LYS 7 Ca -0.06 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1r63 h LYS 7 Cb 0.45 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1r63 h LYS 7 CO 0.09 -0.14 0.10 1.03 -2.27 0.00 0.00 179.45 178.27 1r63 h SER 8 N -0.22 0.13 -0.89 4.20 0.87 -0.74 -1.65 113.55 115.25 1r63 h SER 8 Ca 0.01 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1r63 h SER 8 Cb 0.21 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1r63 h SER 8 CO -0.03 0.11 0.48 0.50 -0.53 0.00 0.00 176.83 177.36 1r63 h LYS 9 N 0.23 1.25 -0.33 2.24 1.63 -0.56 0.14 116.57 121.18 1r63 h LYS 9 Ca 0.11 -0.15 0.07 0.00 -0.85 0.00 0.00 60.65 59.82 1r63 h LYS 9 Cb 0.06 -0.24 -0.06 0.00 -0.60 0.00 0.00 32.23 31.39 1r63 h LYS 9 CO -0.10 0.92 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.64 1r63 h ARG 10 N 1.25 -0.01 -0.59 1.90 2.43 -0.42 0.02 114.38 118.96 1r63 h ARG 10 Ca 0.31 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1r63 h ARG 10 Cb 0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1r63 h ARG 10 CO -0.05 -0.01 -0.04 0.82 -1.51 0.00 0.00 179.97 179.18 1r63 h ILE 11 N -0.01 1.27 -0.76 1.20 5.03 -0.34 0.36 117.51 124.25 1r63 h ILE 11 Ca 0.16 -1.21 0.06 0.00 -0.12 0.00 0.00 64.86 63.76 1r63 h ILE 11 Cb 0.26 0.86 -0.06 0.00 -3.03 0.00 0.00 36.82 34.84 1r63 h ILE 11 CO -0.35 0.43 0.45 1.56 -0.68 0.00 0.00 178.15 179.57 1r63 h GLN 12 N 0.96 0.79 -0.49 2.37 4.20 -0.39 -1.17 115.11 121.39 1r63 h GLN 12 Ca 0.16 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 1r63 h GLN 12 Cb 0.61 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1r63 h GLN 12 CO 0.04 0.52 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.51 1r63 h LEU 13 N 0.81 0.96 0.00 1.46 3.38 -0.53 -3.48 115.31 117.92 1r63 h LEU 13 Ca 0.34 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1r63 h LEU 13 Cb 0.20 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1r63 h LEU 13 CO -0.19 1.11 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1r63 n GLY 14 N -0.19 0.65 3.87 0.83 0.00 0.12 -5.08 105.19 105.38 1r63 n GLY 14 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 3.70 0.00 0.99 1.43 -1.02 -5.01 118.68 118.77 1r63 s LEU 15 Ca 0.00 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.21 1r63 s LEU 15 Cb 0.00 -4.16 0.19 0.00 0.03 0.00 0.00 46.19 42.24 1r63 s LEU 15 CO 0.00 -0.51 1.10 -0.46 0.23 0.00 0.00 176.35 176.71 1r63 n ASN 16 N -1.60 0.09 -0.03 2.29 0.23 -1.26 -4.62 115.26 110.36 1r63 n ASN 16 Ca 0.04 -1.40 -0.13 0.00 -0.53 0.00 0.00 54.58 52.55 1r63 n ASN 16 Cb 0.54 -0.84 -0.11 0.00 -2.08 0.00 0.00 39.78 37.29 1r63 n ASN 16 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1r63 h GLN 17 N 0.00 -0.03 -0.62 -3.83 4.20 -1.99 -3.30 115.11 109.54 1r63 h GLN 17 Ca -0.36 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.48 1r63 h GLN 17 Cb 0.98 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.68 1r63 h GLN 17 CO 0.25 0.63 0.10 0.00 -0.67 0.00 0.00 178.83 179.14 1r63 h ALA 18 N 0.17 0.71 -0.01 3.87 0.00 -1.96 -0.39 119.26 121.66 1r63 h ALA 18 Ca -0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1r63 h ALA 18 Cb 0.68 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1r63 h ALA 18 CO 0.01 -0.34 -0.42 0.93 0.00 0.00 0.00 179.25 179.43 1r63 h GLU 19 N 0.22 -0.50 0.07 0.00 4.39 -1.97 0.41 114.58 117.19 1r63 h GLU 19 Ca 0.33 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.09 1r63 h GLU 19 Cb 0.52 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1r63 h GLU 19 CO -0.45 -0.34 -0.35 1.25 -1.16 0.00 0.00 179.01 177.96 1r63 h LEU 20 N -0.52 -1.04 -0.88 1.33 6.46 -1.49 0.76 115.31 119.93 1r63 h LEU 20 Ca 0.01 0.12 0.23 0.00 -0.12 0.00 0.00 57.88 58.13 1r63 h LEU 20 Cb 0.56 0.40 -0.15 0.00 -0.73 0.00 0.00 40.66 40.74 1r63 h LEU 20 CO -0.29 -0.42 0.15 0.00 -0.62 0.00 0.00 178.44 177.26 1r63 h ALA 21 N 0.08 1.17 -0.05 1.25 0.00 -0.74 0.29 119.26 121.26 1r63 h ALA 21 Ca 0.04 0.26 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1r63 h ALA 21 Cb 0.60 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1r63 h ALA 21 CO -0.24 -0.49 -0.61 1.96 0.00 0.00 0.00 179.25 179.86 1r63 h GLN 22 N 0.13 0.19 -0.07 0.00 7.50 0.16 0.25 115.11 123.26 1r63 h GLN 22 Ca 0.54 -0.13 -0.12 0.00 0.50 0.00 0.00 58.65 59.44 1r63 h GLN 22 Cb 1.09 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.62 1r63 h GLN 22 CO -0.72 0.74 -0.52 0.87 -1.50 0.00 0.00 178.83 177.70 1r63 h LYS 23 N 0.14 0.20 -0.04 1.46 1.57 0.15 -1.22 116.57 118.83 1r63 h LYS 23 Ca -0.01 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1r63 h LYS 23 Cb 1.11 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1r63 h LYS 23 CO 0.09 0.67 -0.48 0.28 -0.57 0.00 0.00 179.45 179.44 1r63 h VAL 24 N 0.16 1.34 -2.98 0.50 2.07 -0.40 -3.47 116.25 113.47 1r63 h VAL 24 Ca 0.00 -1.66 -0.29 0.00 0.82 0.00 0.00 66.70 65.58 1r63 h VAL 24 Cb 0.96 1.85 0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1r63 h VAL 24 CO 0.08 0.48 -0.41 0.61 0.02 0.00 0.00 177.57 178.34 1r63 n GLY 25 N -0.11 -0.18 0.00 2.17 0.00 0.77 -4.96 105.19 102.88 1r63 n GLY 25 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.11 0.00 -4.27 2.61 5.66 -0.53 -4.99 114.28 108.65 1r63 n THR 26 Ca -0.10 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.63 1r63 n THR 26 Cb 0.60 -0.34 -0.09 0.00 -1.55 0.00 0.00 70.33 68.95 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 2.39 3.31 0.39 1.09 -4.23 -1.26 -4.34 115.64 113.00 1r63 s THR 27 Ca 0.00 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1r63 s THR 27 Cb 0.00 -2.65 0.33 0.00 1.34 0.00 0.00 72.50 71.52 1r63 s THR 27 CO 0.00 -0.10 1.92 -0.61 -0.54 0.00 0.00 174.62 175.28 1r63 h GLN 28 N 2.88 0.54 -0.99 3.99 4.15 -1.89 0.46 115.11 124.25 1r63 h GLN 28 Ca -0.47 -0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.09 1r63 h GLN 28 Cb 1.20 -0.12 -0.17 0.00 0.21 0.00 0.00 27.48 28.60 1r63 h GLN 28 CO 0.55 0.36 -0.34 0.94 -1.93 0.00 0.00 178.83 178.41 1r63 n GLN 29 N -4.50 -0.18 0.10 1.69 0.00 -1.26 -0.27 117.38 112.96 1r63 n GLN 29 Ca 0.14 1.53 -0.13 0.00 -0.00 0.00 0.00 57.00 58.54 1r63 n GLN 29 Cb 0.43 -2.28 -0.08 0.00 0.00 0.00 0.00 30.24 28.31 1r63 n GLN 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1r63 h SER 30 N 0.00 -0.20 0.31 1.69 0.02 -1.31 -1.48 113.55 112.57 1r63 h SER 30 Ca 0.39 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1r63 h SER 30 Cb 0.64 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1r63 h SER 30 CO -1.00 0.10 -0.15 0.40 -1.14 0.00 0.00 176.83 175.04 1r63 h ILE 31 N -0.52 0.70 -0.17 3.27 5.03 -1.04 -1.30 117.51 123.47 1r63 h ILE 31 Ca -0.02 -0.03 0.05 0.00 -0.12 0.00 0.00 64.86 64.73 1r63 h ILE 31 Cb 0.40 0.71 -0.06 0.00 -3.03 0.00 0.00 36.82 34.84 1r63 h ILE 31 CO 0.04 0.01 -0.29 -0.08 -0.68 0.00 0.00 178.15 177.15 1r63 h GLU 32 N -0.44 -0.33 0.00 2.37 4.81 -0.68 0.25 114.58 120.57 1r63 h GLU 32 Ca -0.04 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1r63 h GLU 32 Cb 0.34 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1r63 h GLU 32 CO 0.07 -0.22 -0.04 -0.56 -0.73 0.00 0.00 179.01 177.53 1r63 h GLN 33 N -0.34 0.00 0.08 1.92 3.07 -1.07 0.10 115.11 118.87 1r63 h GLN 33 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.85 1r63 h GLN 33 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1r63 h GLN 33 CO -0.36 0.04 -0.04 1.25 0.09 0.00 0.00 178.83 179.82 1r63 h LEU 34 N 0.00 -0.09 -1.31 0.06 6.46 0.18 -3.25 115.31 117.36 1r63 h LEU 34 Ca -0.00 -0.52 -0.03 0.00 -0.12 0.00 0.00 57.88 57.21 1r63 h LEU 34 Cb 0.11 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1r63 h LEU 34 CO 0.01 0.55 0.17 -0.08 -0.62 0.00 0.00 178.44 178.47 1r63 h GLU 35 N -0.81 0.65 -0.08 1.25 4.81 0.26 0.23 114.58 120.89 1r63 h GLU 35 Ca -0.01 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1r63 h GLU 35 Cb 0.60 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1r63 h GLU 35 CO 0.02 0.54 0.29 -2.95 -0.73 0.00 0.00 179.01 176.18 1r63 h ASN 36 N 0.64 0.00 0.00 1.04 7.08 -1.16 -3.40 115.58 119.78 1r63 h ASN 36 Ca 0.16 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.38 1r63 h ASN 36 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.38 1r63 h ASN 36 CO -0.01 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.95 1r63 n GLY 37 N -1.26 1.63 0.06 9.14 0.00 0.81 -4.98 105.19 110.58 1r63 n GLY 37 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1r63 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r63 h LYS 38 N 0.00 0.00 -6.67 1.61 1.57 -1.57 -3.47 116.57 108.04 1r63 h LYS 38 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1r63 h LYS 38 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1r63 h LYS 38 CO 0.00 0.22 0.20 0.99 -0.57 0.00 0.00 179.45 180.28 1r63 s THR 39 N -1.73 4.42 -0.25 -0.16 2.01 -1.26 -4.98 115.64 113.69 1r63 s THR 39 Ca -0.05 1.53 -0.14 0.00 0.31 0.00 0.00 61.69 63.35 1r63 s THR 39 Cb -0.00 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 1r63 s THR 39 CO 0.16 0.24 -0.34 1.17 -0.69 0.00 0.00 174.62 175.16 1r63 n LYS 40 N 0.81 0.55 -3.30 4.92 3.00 -1.26 -4.82 118.16 118.07 1r63 n LYS 40 Ca -0.01 0.24 -0.25 0.00 -0.00 0.00 0.00 58.31 58.28 1r63 n LYS 40 Cb 0.50 -1.43 -0.08 0.00 0.00 0.00 0.00 35.03 34.02 1r63 n LYS 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1r63 n ARG 41 N -4.22 0.62 -0.68 1.64 0.63 -1.26 -4.87 116.66 108.52 1r63 n ARG 41 Ca -0.46 -3.30 -0.30 0.00 -0.92 0.00 0.00 57.85 52.87 1r63 n ARG 41 Cb 0.81 -1.46 0.19 0.00 0.45 0.00 0.00 32.46 32.44 1r63 n ARG 41 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1r63 s PRO 42 N -0.78 0.51 0.14 -0.14 0.04 -1.26 -4.90 135.00 128.61 1r63 s PRO 42 Ca 0.34 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1r63 s PRO 42 Cb 0.11 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 1r63 s PRO 42 CO -0.14 -2.90 1.59 0.00 0.04 0.00 0.00 177.00 175.59 1r63 h ARG 43 N -2.06 -0.42 -0.15 4.56 2.47 -2.03 -2.36 114.38 114.38 1r63 h ARG 43 Ca -0.48 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1r63 h ARG 43 Cb 1.29 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 1r63 h ARG 43 CO 0.45 -0.28 0.00 1.97 0.56 0.00 0.00 179.97 182.66 1r63 n PHE 44 N -5.43 0.10 -0.19 3.04 -1.74 -1.26 -4.42 117.46 107.56 1r63 n PHE 44 Ca -0.03 -0.05 -0.02 0.00 -0.56 0.00 0.00 57.45 56.79 1r63 n PHE 44 Cb 0.35 -0.01 0.05 0.00 1.52 0.00 0.00 39.48 41.39 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 0.39 -0.60 -1.28 5.98 5.85 -1.77 0.36 115.31 124.25 1r63 h LEU 45 Ca 0.00 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1r63 h LEU 45 Cb 0.14 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1r63 h LEU 45 CO 0.00 -0.21 0.52 1.55 -0.34 0.00 0.00 178.44 179.96 1r63 h PRO 46 N -0.02 0.88 -0.29 5.25 0.13 -1.84 0.18 132.00 136.28 1r63 h PRO 46 Ca 0.28 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 1r63 h PRO 46 Cb 0.44 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1r63 h PRO 46 CO -0.61 0.58 0.05 0.93 -0.23 0.00 0.00 178.00 178.72 1r63 h GLU 47 N 0.90 0.48 -0.75 0.86 4.39 -1.32 -1.14 114.58 118.02 1r63 h GLU 47 Ca 0.33 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.94 1r63 h GLU 47 Cb 0.15 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1r63 h GLU 47 CO -0.11 0.58 0.46 1.25 -1.16 0.00 0.00 179.01 180.03 1r63 h LEU 48 N 0.31 0.73 -0.48 1.33 6.46 -0.66 -1.97 115.31 121.03 1r63 h LEU 48 Ca 0.09 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 1r63 h LEU 48 Cb 0.33 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.06 1r63 h LEU 48 CO 0.00 0.49 0.17 0.00 -0.62 0.00 0.00 178.44 178.48 1r63 h ALA 49 N 1.34 0.58 -0.03 1.25 0.00 -0.18 0.10 119.26 122.32 1r63 h ALA 49 Ca 0.31 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1r63 h ALA 49 Cb 0.09 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r63 h ALA 49 CO -0.14 -0.23 0.02 0.77 0.00 0.00 0.00 179.25 179.67 1r63 h SER 50 N 0.34 0.04 -0.53 0.00 0.02 -0.76 0.29 113.55 112.95 1r63 h SER 50 Ca 0.23 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1r63 h SER 50 Cb 0.24 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1r63 h SER 50 CO -0.24 0.11 0.34 0.00 -1.14 0.00 0.00 176.83 175.90 1r63 h ALA 51 N 0.93 0.67 0.00 3.77 0.00 -0.87 0.68 119.26 124.44 1r63 h ALA 51 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1r63 h ALA 51 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r63 h ALA 51 CO -0.00 0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 179.23 1r63 h LEU 52 N 0.69 0.00 -2.08 0.00 3.38 -0.64 -3.47 115.31 113.19 1r63 h LEU 52 Ca 0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.83 1r63 h LEU 52 Cb -0.06 0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.83 1r63 h LEU 52 CO -0.06 0.03 -0.83 0.61 0.09 0.00 0.00 178.44 178.29 1r63 n GLY 53 N -0.46 -0.65 3.21 0.83 0.00 0.23 -4.99 105.19 103.36 1r63 n GLY 53 Ca -0.01 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.46 0.08 0.51 1.61 -7.23 -0.75 -5.05 120.40 106.11 1r63 s VAL 54 Ca 0.18 -1.79 -0.13 0.00 -1.81 0.00 0.00 61.98 58.43 1r63 s VAL 54 Cb -0.04 -2.05 -0.07 0.00 0.56 0.00 0.00 36.38 34.79 1r63 s VAL 54 CO 0.77 -0.36 0.93 -0.94 -0.31 0.00 0.00 175.10 175.19 1r63 s SER 55 N -3.04 6.50 0.21 4.85 1.04 -1.26 -4.27 113.70 117.72 1r63 s SER 55 Ca 0.24 1.40 -0.10 0.00 0.48 0.00 0.00 55.95 57.97 1r63 s SER 55 Cb 0.06 -2.44 0.29 0.00 0.10 0.00 0.00 66.02 64.03 1r63 s SER 55 CO 0.03 -0.60 1.70 0.58 0.98 0.00 0.00 173.24 175.93 1r63 h VAL 56 N 0.67 0.64 -0.11 5.02 2.07 -1.91 -1.47 116.25 121.17 1r63 h VAL 56 Ca -0.46 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1r63 h VAL 56 Cb 1.19 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1r63 h VAL 56 CO 0.62 0.05 -0.34 -0.78 0.02 0.00 0.00 177.57 177.14 1r63 h ASP 57 N 0.25 -1.05 -0.39 0.57 1.82 -1.98 0.15 116.42 115.79 1r63 h ASP 57 Ca 0.31 0.15 0.07 0.00 -0.39 0.00 0.00 57.03 57.17 1r63 h ASP 57 Cb 0.46 0.44 -0.07 0.00 0.68 0.00 0.00 39.33 40.84 1r63 h ASP 57 CO -0.40 -0.38 -0.03 -0.25 -1.61 0.00 0.00 179.24 176.57 1r63 h TRP 58 N -0.43 -0.08 -0.67 0.28 7.01 -1.82 0.47 115.95 120.72 1r63 h TRP 58 Ca 0.09 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.24 1r63 h TRP 58 Cb 0.57 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 1r63 h TRP 58 CO -0.41 -0.10 0.45 -0.07 -2.79 0.00 0.00 178.44 175.52 1r63 h LEU 59 N 0.07 0.38 0.06 0.65 3.38 -0.65 -0.72 115.31 118.48 1r63 h LEU 59 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1r63 h LEU 59 Cb 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1r63 h LEU 59 CO -0.34 0.22 -0.03 0.25 0.09 0.00 0.00 178.44 178.63 1r63 h LEU 60 N 0.42 -0.07 0.00 1.67 5.85 0.19 -3.44 115.31 119.93 1r63 h LEU 60 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1r63 h LEU 60 Cb 0.67 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1r63 h LEU 60 CO -0.09 0.06 -0.15 0.78 -0.34 0.00 0.00 178.44 178.70 1r63 h ASN 61 N -0.31 0.00 -0.77 1.25 2.35 -0.18 -3.48 115.58 114.44 1r63 h ASN 61 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1r63 h ASN 61 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1r63 h ASN 61 CO 0.01 0.43 0.00 0.61 -1.65 0.00 0.00 177.43 176.83 1r63 n GLY 62 N 1.77 -0.70 0.00 2.83 0.00 -0.28 -5.02 105.19 103.78 1r63 n GLY 62 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95