#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 0.79 -0.37 -1.33 2.10 -1.82 -0.87 117.51 116.00 1r63 h ILE 2 Ca 0.00 -0.03 0.04 0.00 1.08 0.00 0.00 64.86 65.95 1r63 h ILE 2 Cb 0.00 0.70 -0.07 0.00 -1.09 0.00 0.00 36.82 36.36 1r63 h ILE 2 CO 0.00 0.01 -0.44 0.77 -1.08 0.00 0.00 178.15 177.42 1r63 h SER 3 N 0.08 -1.48 -0.23 2.19 4.64 -1.85 0.18 113.55 117.08 1r63 h SER 3 Ca 0.14 0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.69 1r63 h SER 3 Cb 0.18 0.61 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1r63 h SER 3 CO -0.23 -0.30 -0.01 -1.28 -0.87 0.00 0.00 176.83 174.14 1r63 h SER 4 N -0.27 -0.11 -0.35 4.97 0.87 -1.80 -0.94 113.55 115.93 1r63 h SER 4 Ca 0.06 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1r63 h SER 4 Cb 0.44 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.43 1r63 h SER 4 CO -0.50 -0.02 -0.17 0.03 -0.53 0.00 0.00 176.83 175.64 1r63 h ARG 5 N 0.06 -0.11 -0.17 2.24 3.08 -0.50 0.14 114.38 119.11 1r63 h ARG 5 Ca 0.11 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1r63 h ARG 5 Cb 0.14 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1r63 h ARG 5 CO -0.19 -0.08 -0.01 0.28 -1.07 0.00 0.00 179.97 178.90 1r63 h VAL 6 N -0.12 1.27 0.37 2.04 2.07 -0.64 -0.30 116.25 120.94 1r63 h VAL 6 Ca 0.17 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1r63 h VAL 6 Cb 0.39 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1r63 h VAL 6 CO -0.42 0.27 -0.40 0.50 0.02 0.00 0.00 177.57 177.54 1r63 h LYS 7 N 0.05 -0.75 -0.17 1.57 1.63 -0.86 0.03 116.57 118.07 1r63 h LYS 7 Ca 0.05 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.95 1r63 h LYS 7 Cb 0.42 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 32.15 1r63 h LYS 7 CO 0.01 -0.50 -0.39 0.77 -3.45 0.00 0.00 179.45 175.89 1r63 h SER 8 N -0.78 -1.23 -0.58 4.20 0.02 -0.73 -0.58 113.55 113.87 1r63 h SER 8 Ca -0.05 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1r63 h SER 8 Cb 0.68 0.51 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1r63 h SER 8 CO -0.06 -0.40 0.21 0.11 -1.14 0.00 0.00 176.83 175.55 1r63 h LYS 9 N -0.44 0.89 -0.51 3.45 1.57 -1.06 0.08 116.57 120.54 1r63 h LYS 9 Ca 0.09 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1r63 h LYS 9 Cb 0.60 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1r63 h LYS 9 CO -0.41 0.78 0.32 -0.09 -0.57 0.00 0.00 179.45 179.48 1r63 h ARG 10 N 0.81 0.63 -0.70 3.15 2.43 -0.18 0.19 114.38 120.72 1r63 h ARG 10 Ca 0.19 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1r63 h ARG 10 Cb 0.24 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1r63 h ARG 10 CO -0.01 0.42 0.38 0.82 -1.51 0.00 0.00 179.97 180.07 1r63 h ILE 11 N 0.65 0.93 -0.59 1.20 5.03 -0.61 0.22 117.51 124.33 1r63 h ILE 11 Ca 0.20 -0.23 -0.10 0.00 -0.12 0.00 0.00 64.86 64.61 1r63 h ILE 11 Cb -0.02 0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 33.93 1r63 h ILE 11 CO -0.07 0.12 -0.02 1.56 -0.68 0.00 0.00 178.15 179.06 1r63 h GLN 12 N 0.68 1.06 0.00 2.37 1.08 0.16 -2.13 115.11 118.33 1r63 h GLN 12 Ca 0.33 -0.35 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1r63 h GLN 12 Cb 0.26 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1r63 h GLN 12 CO -0.22 1.05 -0.28 -0.07 -0.95 0.00 0.00 178.83 178.36 1r63 h LEU 13 N 0.96 0.00 -1.95 1.46 -0.00 -0.16 -3.47 115.31 112.15 1r63 h LEU 13 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.85 1r63 h LEU 13 Cb 0.59 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 41.35 1r63 h LEU 13 CO 0.03 0.28 -0.48 0.61 -0.00 0.00 0.00 178.44 178.89 1r63 n GLY 14 N -0.65 -0.10 3.25 0.83 0.00 0.73 -5.05 105.19 104.20 1r63 n GLY 14 Ca -0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.60 2.19 1.00 0.99 1.43 -1.22 -5.08 118.68 113.39 1r63 s LEU 15 Ca 0.05 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 1r63 s LEU 15 Cb -0.01 -0.93 0.19 0.00 0.03 0.00 0.00 46.19 45.47 1r63 s LEU 15 CO 0.44 0.13 1.17 0.54 0.23 0.00 0.00 176.35 178.87 1r63 s ASN 16 N -1.30 2.73 0.11 2.29 2.20 -1.26 -4.51 114.94 115.20 1r63 s ASN 16 Ca 0.07 0.73 -0.23 0.00 -0.94 0.00 0.00 52.86 52.48 1r63 s ASN 16 Cb -0.09 -1.10 -0.09 0.00 -2.00 0.00 0.00 41.25 37.98 1r63 s ASN 16 CO 0.02 -3.01 1.70 1.56 -2.94 0.00 0.00 177.10 174.43 1r63 h GLN 17 N -1.82 -0.14 -0.52 3.55 4.20 -1.99 -1.18 115.11 117.22 1r63 h GLN 17 Ca -0.48 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.22 1r63 h GLN 17 Cb 1.30 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 1r63 h GLN 17 CO 0.49 -0.09 0.22 0.00 -0.67 0.00 0.00 178.83 178.79 1r63 h ALA 18 N 0.86 0.67 0.16 3.87 0.00 -1.93 0.72 119.26 123.61 1r63 h ALA 18 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1r63 h ALA 18 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1r63 h ALA 18 CO -0.11 0.26 -0.37 0.93 0.00 0.00 0.00 179.25 179.97 1r63 h GLU 19 N 0.69 -0.56 -0.45 0.00 4.39 -1.89 -1.30 114.58 115.46 1r63 h GLU 19 Ca 0.17 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.95 1r63 h GLU 19 Cb 0.17 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1r63 h GLU 19 CO -0.02 -0.38 0.23 1.25 -1.16 0.00 0.00 179.01 178.93 1r63 h LEU 20 N -0.58 0.33 -0.75 1.33 5.85 -0.83 -0.42 115.31 120.24 1r63 h LEU 20 Ca -0.02 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1r63 h LEU 20 Cb 0.56 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.42 1r63 h LEU 20 CO -0.16 0.24 -0.41 0.00 -0.34 0.00 0.00 178.44 177.77 1r63 h ALA 21 N 1.24 -0.12 0.00 1.25 0.00 -0.78 0.53 119.26 121.37 1r63 h ALA 21 Ca 0.19 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1r63 h ALA 21 Cb 0.10 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1r63 h ALA 21 CO -0.13 -0.74 -0.53 -0.56 0.00 0.00 0.00 179.25 177.29 1r63 h GLN 22 N -0.12 0.00 -0.27 0.00 3.07 0.07 0.30 115.11 118.16 1r63 h GLN 22 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.97 1r63 h GLN 22 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 1r63 h GLN 22 CO -0.81 0.53 0.12 0.87 0.09 0.00 0.00 178.83 179.63 1r63 h LYS 23 N 0.00 0.39 -0.87 0.06 1.57 -0.14 -2.11 116.57 115.47 1r63 h LYS 23 Ca -0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1r63 h LYS 23 Cb 1.00 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 1r63 h LYS 23 CO 0.07 0.39 0.57 0.28 -0.57 0.00 0.00 179.45 180.19 1r63 h VAL 24 N 0.30 1.17 0.00 0.50 2.07 -0.56 -3.47 116.25 116.25 1r63 h VAL 24 Ca 0.09 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1r63 h VAL 24 Cb 0.14 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1r63 h VAL 24 CO -0.01 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1r63 n GLY 25 N -1.40 0.84 1.39 2.17 0.00 0.81 -5.00 105.19 104.00 1r63 n GLY 25 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.26 0.00 -3.73 2.61 5.66 0.18 -4.95 114.28 111.79 1r63 n THR 26 Ca 0.00 -0.72 -0.28 0.00 -3.05 0.00 0.00 64.05 60.00 1r63 n THR 26 Cb 0.00 -0.66 -0.03 0.00 -1.55 0.00 0.00 70.33 68.08 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 -0.51 5.23 0.20 1.09 -4.23 -1.26 -3.73 115.64 112.42 1r63 s THR 27 Ca 0.18 -0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.20 1r63 s THR 27 Cb -0.01 -3.71 0.20 0.00 1.34 0.00 0.00 72.50 70.31 1r63 s THR 27 CO 0.12 -0.11 1.62 -0.61 -0.54 0.00 0.00 174.62 175.10 1r63 h GLN 28 N 2.22 -0.04 -0.71 3.99 5.75 -1.88 -0.49 115.11 123.95 1r63 h GLN 28 Ca -0.47 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1r63 h GLN 28 Cb 1.18 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1r63 h GLN 28 CO 0.69 -0.03 0.40 0.37 -2.65 0.00 0.00 178.83 177.62 1r63 h GLN 29 N -0.04 0.98 -0.60 1.69 -0.00 -1.98 0.27 115.11 115.42 1r63 h GLN 29 Ca 0.28 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1r63 h GLN 29 Cb 0.47 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 1r63 h GLN 29 CO -0.62 0.72 0.30 0.77 0.00 0.00 0.00 178.83 179.99 1r63 h SER 30 N 0.97 0.77 -0.56 -0.69 0.02 -1.83 -0.91 113.55 111.32 1r63 h SER 30 Ca 0.25 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1r63 h SER 30 Cb 0.01 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1r63 h SER 30 CO -0.04 0.67 0.36 0.40 -1.14 0.00 0.00 176.83 177.08 1r63 h ILE 31 N 0.81 1.15 0.93 3.27 1.08 0.13 0.00 117.51 124.88 1r63 h ILE 31 Ca 0.21 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1r63 h ILE 31 Cb 0.10 0.33 0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1r63 h ILE 31 CO -0.03 0.15 -0.45 -0.08 -0.69 0.00 0.00 178.15 177.05 1r63 h GLU 32 N 0.76 -1.21 -0.90 2.37 4.22 0.29 0.11 114.58 120.22 1r63 h GLU 32 Ca 0.20 0.08 0.06 0.00 0.08 0.00 0.00 59.36 59.79 1r63 h GLU 32 Cb -0.07 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1r63 h GLU 32 CO -0.04 -0.80 0.59 1.96 -2.18 0.00 0.00 179.01 178.53 1r63 h GLN 33 N -1.27 1.01 0.47 1.92 4.20 -1.05 -0.03 115.11 120.35 1r63 h GLN 33 Ca -0.13 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1r63 h GLN 33 Cb 0.96 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1r63 h GLN 33 CO 0.21 0.67 -0.29 1.25 -0.67 0.00 0.00 178.83 180.00 1r63 h LEU 34 N 1.04 -0.72 -0.26 1.46 5.85 -0.89 0.59 115.31 122.37 1r63 h LEU 34 Ca 0.38 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.21 1r63 h LEU 34 Cb 0.18 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1r63 h LEU 34 CO -0.14 -0.44 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.24 1r63 h GLU 35 N -0.71 -0.17 0.00 1.25 4.81 -0.25 0.87 114.58 120.38 1r63 h GLU 35 Ca -0.06 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1r63 h GLU 35 Cb 0.57 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1r63 h GLU 35 CO 0.07 -0.12 0.00 0.27 -0.73 0.00 0.00 179.01 178.50 1r63 n ASN 36 N -5.35 0.20 -2.58 1.04 0.23 -0.07 -4.08 115.26 104.65 1r63 n ASN 36 Ca -0.00 0.57 -0.10 0.00 -0.53 0.00 0.00 54.58 54.52 1r63 n ASN 36 Cb 0.26 -0.60 0.05 0.00 -2.08 0.00 0.00 39.78 37.41 1r63 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1r63 n GLY 37 N -0.67 -0.32 0.12 4.83 0.00 0.30 -4.98 105.19 104.48 1r63 n GLY 37 Ca 0.01 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1r63 n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r63 n LYS 38 N -2.65 0.69 -3.00 1.61 4.81 0.17 -4.99 118.16 114.79 1r63 n LYS 38 Ca -0.07 0.17 -0.34 0.00 -0.87 0.00 0.00 58.31 57.20 1r63 n LYS 38 Cb 0.58 -1.61 -0.06 0.00 0.02 0.00 0.00 35.03 33.96 1r63 n LYS 38 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1r63 s THR 39 N -2.53 4.52 -0.06 3.15 2.01 -1.15 -5.01 115.64 116.57 1r63 s THR 39 Ca -0.24 1.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.96 1r63 s THR 39 Cb 0.08 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1r63 s THR 39 CO 0.71 -0.11 -0.15 1.17 -0.69 0.00 0.00 174.62 175.56 1r63 n LYS 40 N -0.12 0.23 -3.53 4.92 0.00 -1.26 -4.85 118.16 113.56 1r63 n LYS 40 Ca 0.03 0.09 -0.27 0.00 0.00 0.00 0.00 58.31 58.17 1r63 n LYS 40 Cb 0.53 -0.89 -0.09 0.00 0.00 0.00 0.00 35.03 34.57 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 -3.74 1.56 -1.86 1.64 3.00 -1.26 -5.11 116.66 110.89 1r63 n ARG 41 Ca -0.13 -4.08 -0.40 0.00 -0.00 0.00 0.00 57.85 53.24 1r63 n ARG 41 Cb 0.40 -1.97 0.01 0.00 0.00 0.00 0.00 32.46 30.90 1r63 n ARG 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1r63 s PRO 42 N -1.47 3.75 0.00 -0.14 0.04 -1.26 -4.85 135.00 131.07 1r63 s PRO 42 Ca 0.33 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1r63 s PRO 42 Cb 0.07 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1r63 s PRO 42 CO -0.11 -0.74 0.34 2.89 0.04 0.00 0.00 177.00 179.41 1r63 n ARG 43 N -0.12 0.53 -1.45 4.56 1.85 -1.26 -3.29 116.66 117.49 1r63 n ARG 43 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.86 1r63 n ARG 43 Cb 0.42 -1.26 -0.02 0.00 -1.05 0.00 0.00 32.46 30.56 1r63 n ARG 43 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1r63 n PHE 44 N 0.38 -0.22 0.14 2.89 -1.74 -1.26 -4.99 117.46 112.66 1r63 n PHE 44 Ca 0.00 -0.76 -0.14 0.00 -0.56 0.00 0.00 57.45 56.00 1r63 n PHE 44 Cb 0.17 0.46 -0.08 0.00 1.52 0.00 0.00 39.48 41.55 1r63 n PHE 44 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1r63 h LEU 45 N 0.51 -1.22 -2.01 5.98 3.38 -1.95 0.01 115.31 120.01 1r63 h LEU 45 Ca -0.45 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1r63 h LEU 45 Cb 1.50 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 1r63 h LEU 45 CO -0.16 -0.48 -0.04 1.55 0.09 0.00 0.00 178.44 179.40 1r63 h PRO 46 N -0.67 0.00 -0.03 1.13 0.13 -1.94 0.31 132.00 130.93 1r63 h PRO 46 Ca -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 1r63 h PRO 46 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1r63 h PRO 46 CO -0.17 0.04 -0.28 0.93 -0.23 0.00 0.00 178.00 178.29 1r63 h GLU 47 N 0.00 0.25 -0.42 0.86 5.08 -1.86 -1.16 114.58 117.32 1r63 h GLU 47 Ca -0.00 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1r63 h GLU 47 Cb 0.08 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1r63 h GLU 47 CO 0.01 0.90 0.08 1.25 -1.00 0.00 0.00 179.01 180.25 1r63 h LEU 48 N -0.33 0.66 -0.63 1.33 6.46 -0.69 -0.72 115.31 121.40 1r63 h LEU 48 Ca -0.03 -0.25 0.13 0.00 -0.12 0.00 0.00 57.88 57.62 1r63 h LEU 48 Cb 0.97 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 40.62 1r63 h LEU 48 CO 0.06 0.74 0.00 0.00 -0.62 0.00 0.00 178.44 178.62 1r63 h ALA 49 N 0.94 0.62 -0.23 1.25 0.00 -0.92 0.89 119.26 121.82 1r63 h ALA 49 Ca 0.13 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1r63 h ALA 49 Cb 0.35 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1r63 h ALA 49 CO 0.01 -0.39 0.02 1.03 0.00 0.00 0.00 179.25 179.92 1r63 h SER 50 N 0.12 0.37 -0.43 0.00 0.87 -0.91 0.47 113.55 114.03 1r63 h SER 50 Ca 0.33 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1r63 h SER 50 Cb 0.54 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1r63 h SER 50 CO -0.54 0.55 0.28 0.00 -0.53 0.00 0.00 176.83 176.59 1r63 h ALA 51 N 0.83 0.55 0.00 6.23 0.00 0.63 -0.41 119.26 127.09 1r63 h ALA 51 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r63 h ALA 51 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r63 h ALA 51 CO 0.01 -0.02 -0.24 -0.11 0.00 0.00 0.00 179.25 178.88 1r63 n LEU 52 N -4.81 0.66 -2.41 0.00 7.94 -0.02 -4.99 117.00 113.38 1r63 n LEU 52 Ca 0.01 0.41 -0.09 0.00 -1.11 0.00 0.00 56.01 55.24 1r63 n LEU 52 Cb 0.04 -0.29 0.05 0.00 0.53 0.00 0.00 43.42 43.75 1r63 n LEU 52 CO 0.34 -0.10 0.05 0.61 -1.11 0.00 0.00 177.39 177.18 1r63 n GLY 53 N 1.35 -0.09 3.21 -3.96 0.00 0.02 -4.99 105.19 100.73 1r63 n GLY 53 Ca 0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.21 0.11 0.75 1.61 -7.23 -0.37 -5.03 120.40 107.02 1r63 s VAL 54 Ca 0.08 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.24 1r63 s VAL 54 Cb -0.01 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.93 1r63 s VAL 54 CO 0.42 -0.49 1.08 -0.94 -0.31 0.00 0.00 175.10 174.85 1r63 s SER 55 N -2.32 4.78 0.19 4.85 1.04 -1.26 -4.25 113.70 116.72 1r63 s SER 55 Ca -0.02 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 58.04 1r63 s SER 55 Cb 0.01 -2.51 0.20 0.00 0.10 0.00 0.00 66.02 63.81 1r63 s SER 55 CO -0.06 -1.85 1.67 0.58 0.98 0.00 0.00 173.24 174.56 1r63 h VAL 56 N -0.99 0.58 -0.30 5.02 2.07 -1.90 0.71 116.25 121.43 1r63 h VAL 56 Ca -0.44 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1r63 h VAL 56 Cb 1.22 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1r63 h VAL 56 CO 0.53 0.02 0.03 0.44 0.02 0.00 0.00 177.57 178.60 1r63 h ASP 57 N 0.09 -0.06 -0.63 0.57 5.19 -1.98 0.10 116.42 119.71 1r63 h ASP 57 Ca 0.26 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.68 1r63 h ASP 57 Cb 0.39 0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1r63 h ASP 57 CO -0.45 0.00 0.20 -0.25 -3.12 0.00 0.00 179.24 175.63 1r63 h TRP 58 N 0.13 1.00 -0.08 4.55 7.01 -1.75 0.14 115.95 126.95 1r63 h TRP 58 Ca 0.14 -0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.09 1r63 h TRP 58 Cb 0.18 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 1r63 h TRP 58 CO -0.20 0.82 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.94 1r63 h LEU 59 N 0.89 -0.77 0.04 0.65 3.38 -0.33 0.29 115.31 119.47 1r63 h LEU 59 Ca 0.20 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1r63 h LEU 59 Cb 0.28 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1r63 h LEU 59 CO -0.01 -0.31 -0.03 0.25 0.09 0.00 0.00 178.44 178.44 1r63 h LEU 60 N -0.35 -0.07 0.01 1.67 5.85 -0.17 -3.38 115.31 118.87 1r63 h LEU 60 Ca 0.08 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.45 1r63 h LEU 60 Cb 0.47 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1r63 h LEU 60 CO -0.28 -0.04 -2.29 0.59 -0.34 0.00 0.00 178.44 176.09 1r63 n ASN 61 N -2.35 0.68 -1.52 1.25 3.02 0.42 -4.63 115.26 112.13 1r63 n ASN 61 Ca -0.01 0.04 -0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1r63 n ASN 61 Cb 0.03 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.85 -1.06 0.64 7.41 0.00 0.10 -5.02 105.19 109.11 1r63 n GLY 62 Ca -0.33 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1r63 n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02