#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 1.16 -0.38 0.44 2.10 -1.88 -0.00 117.51 118.95 1r63 h ILE 2 Ca 0.00 -0.72 0.07 0.00 1.08 0.00 0.00 64.86 65.29 1r63 h ILE 2 Cb 0.00 1.64 -0.09 0.00 -1.09 0.00 0.00 36.82 37.28 1r63 h ILE 2 CO 0.00 0.18 -0.39 -1.28 -1.08 0.00 0.00 178.15 175.59 1r63 h SER 3 N -0.39 -1.27 0.56 2.19 0.87 -1.82 -0.09 113.55 113.59 1r63 h SER 3 Ca -0.01 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1r63 h SER 3 Cb 0.35 0.57 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1r63 h SER 3 CO 0.01 -0.35 -0.37 0.77 -0.53 0.00 0.00 176.83 176.36 1r63 h SER 4 N -0.31 -0.95 -0.67 6.23 4.64 -1.78 -1.37 113.55 119.35 1r63 h SER 4 Ca 0.15 0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1r63 h SER 4 Cb 0.57 0.29 -0.11 0.00 -0.31 0.00 0.00 62.40 62.83 1r63 h SER 4 CO -0.55 -0.57 -0.46 0.03 -0.87 0.00 0.00 176.83 174.41 1r63 h ARG 5 N -0.89 -0.18 0.45 4.77 3.08 -0.64 0.20 114.38 121.17 1r63 h ARG 5 Ca -0.07 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1r63 h ARG 5 Cb 0.74 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1r63 h ARG 5 CO 0.05 -0.12 -0.40 0.28 -1.07 0.00 0.00 179.97 178.71 1r63 h VAL 6 N -0.19 0.19 0.21 2.04 2.07 -0.86 0.14 116.25 119.85 1r63 h VAL 6 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1r63 h VAL 6 Cb 0.55 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1r63 h VAL 6 CO -0.75 0.00 -0.42 0.50 0.02 0.00 0.00 177.57 176.92 1r63 h LYS 7 N -0.85 -0.65 -0.83 1.57 1.63 -0.74 0.66 116.57 117.36 1r63 h LYS 7 Ca -0.04 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 59.96 1r63 h LYS 7 Cb 0.74 0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 32.42 1r63 h LYS 7 CO -0.03 -0.44 0.38 0.77 -3.45 0.00 0.00 179.45 176.68 1r63 h SER 8 N -0.68 0.39 -0.33 4.20 0.02 -0.56 0.59 113.55 117.18 1r63 h SER 8 Ca -0.02 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1r63 h SER 8 Cb 0.64 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1r63 h SER 8 CO -0.16 0.13 0.08 0.11 -1.14 0.00 0.00 176.83 175.84 1r63 h LYS 9 N 0.51 0.54 -1.01 3.45 1.79 -0.29 0.15 116.57 121.70 1r63 h LYS 9 Ca 0.47 -0.13 0.08 0.00 -2.18 0.00 0.00 60.65 58.89 1r63 h LYS 9 Cb 0.74 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.25 1r63 h LYS 9 CO -0.42 0.59 0.65 -0.09 -1.08 0.00 0.00 179.45 179.10 1r63 h ARG 10 N 0.38 1.09 -0.50 3.15 2.43 0.85 0.16 114.38 121.94 1r63 h ARG 10 Ca 0.10 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1r63 h ARG 10 Cb 0.30 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1r63 h ARG 10 CO 0.00 0.72 -0.10 0.82 -1.51 0.00 0.00 179.97 179.90 1r63 h ILE 11 N 1.13 1.27 -0.77 1.20 1.08 -0.44 0.21 117.51 121.18 1r63 h ILE 11 Ca 0.45 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1r63 h ILE 11 Cb 0.27 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 1r63 h ILE 11 CO -0.20 0.43 0.34 1.56 -0.69 0.00 0.00 178.15 179.59 1r63 h GLN 12 N 0.81 1.13 0.06 2.37 7.50 0.60 -0.17 115.11 127.41 1r63 h GLN 12 Ca 0.13 -0.18 0.02 0.00 0.50 0.00 0.00 58.65 59.12 1r63 h GLN 12 Cb 0.66 -0.20 -0.04 0.00 0.05 0.00 0.00 27.48 27.95 1r63 h GLN 12 CO 0.05 0.90 -0.25 -0.07 -1.50 0.00 0.00 178.83 177.95 1r63 h LEU 13 N 1.11 -0.73 0.00 1.46 -0.00 -0.64 -3.47 115.31 113.04 1r63 h LEU 13 Ca 0.26 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1r63 h LEU 13 Cb 0.17 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1r63 h LEU 13 CO -0.03 -0.33 0.00 0.61 -0.00 0.00 0.00 178.44 178.69 1r63 n GLY 14 N -1.37 0.74 3.74 0.83 0.00 0.71 -5.07 105.19 104.77 1r63 n GLY 14 Ca -0.06 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 4.41 0.58 0.99 1.43 -1.12 -5.02 118.68 119.95 1r63 s LEU 15 Ca 0.00 1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 54.23 1r63 s LEU 15 Cb 0.00 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1r63 s LEU 15 CO 0.00 0.01 1.06 0.54 0.23 0.00 0.00 176.35 178.19 1r63 s ASN 16 N 0.12 5.84 0.27 2.29 6.03 -1.26 -4.66 114.94 123.57 1r63 s ASN 16 Ca 0.36 1.86 0.01 0.00 -1.03 0.00 0.00 52.86 54.06 1r63 s ASN 16 Cb -0.19 -2.54 0.62 0.00 -3.03 0.00 0.00 41.25 36.11 1r63 s ASN 16 CO 0.20 -1.12 1.73 -0.61 -2.03 0.00 0.00 177.10 175.27 1r63 h GLN 17 N 0.63 0.49 -0.92 3.55 4.15 -1.97 0.11 115.11 121.16 1r63 h GLN 17 Ca -0.47 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.02 1r63 h GLN 17 Cb 1.22 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.72 1r63 h GLN 17 CO 0.57 0.33 0.56 0.00 -1.93 0.00 0.00 178.83 178.36 1r63 h ALA 18 N 1.63 1.35 -0.01 3.38 0.00 -1.92 0.17 119.26 123.86 1r63 h ALA 18 Ca 0.51 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.22 1r63 h ALA 18 Cb 0.84 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1r63 h ALA 18 CO -0.44 0.19 -0.85 0.93 0.00 0.00 0.00 179.25 179.08 1r63 h GLU 19 N 0.92 0.59 -0.19 0.00 5.08 -1.20 -1.11 114.58 118.67 1r63 h GLU 19 Ca 0.45 -0.62 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1r63 h GLU 19 Cb 0.40 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1r63 h GLU 19 CO -0.25 1.23 -0.04 1.25 -1.00 0.00 0.00 179.01 180.20 1r63 h LEU 20 N 0.20 -0.16 -0.57 1.33 5.85 -0.76 0.25 115.31 121.45 1r63 h LEU 20 Ca -0.10 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1r63 h LEU 20 Cb 1.52 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.55 1r63 h LEU 20 CO 0.17 -0.06 -0.22 0.00 -0.34 0.00 0.00 178.44 177.99 1r63 h ALA 21 N 1.18 0.22 -0.09 1.25 0.00 -0.66 0.28 119.26 121.44 1r63 h ALA 21 Ca 0.09 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1r63 h ALA 21 Cb 0.13 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1r63 h ALA 21 CO -0.19 -0.53 -0.34 0.37 0.00 0.00 0.00 179.25 178.57 1r63 h GLN 22 N -0.08 -0.42 -0.72 0.00 4.15 -0.33 0.31 115.11 118.01 1r63 h GLN 22 Ca 0.26 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.75 1r63 h GLN 22 Cb 0.49 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 1r63 h GLN 22 CO -0.63 -0.28 0.45 0.87 -1.93 0.00 0.00 178.83 177.31 1r63 h LYS 23 N -0.44 0.83 -0.13 1.69 6.56 0.11 -1.09 116.57 124.11 1r63 h LYS 23 Ca 0.08 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.53 1r63 h LYS 23 Cb 0.57 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1r63 h LYS 23 CO -0.34 0.55 -0.34 0.28 -2.06 0.00 0.00 179.45 177.54 1r63 h VAL 24 N 0.86 1.28 0.00 0.50 2.07 -0.62 -3.48 116.25 116.86 1r63 h VAL 24 Ca 0.30 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1r63 h VAL 24 Cb 0.05 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1r63 h VAL 24 CO -0.12 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.49 1r63 n GLY 25 N -0.33 3.32 0.00 2.17 0.00 0.10 -4.84 105.19 105.61 1r63 n GLY 25 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.31 0.00 -4.03 2.61 5.66 -0.88 -4.86 114.28 111.46 1r63 n THR 26 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1r63 n THR 26 Cb 0.00 -1.53 -0.04 0.00 -1.55 0.00 0.00 70.33 67.20 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 -0.99 4.85 0.28 1.09 -4.23 -1.26 -4.04 115.64 111.34 1r63 s THR 27 Ca 0.00 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1r63 s THR 27 Cb 0.00 -3.51 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1r63 s THR 27 CO 0.00 -0.14 1.69 -0.61 -0.54 0.00 0.00 174.62 175.02 1r63 h GLN 28 N 2.15 0.35 -0.29 3.99 4.15 -1.87 -0.03 115.11 123.56 1r63 h GLN 28 Ca -0.48 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 58.79 1r63 h GLN 28 Cb 1.20 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1r63 h GLN 28 CO 0.65 0.23 -0.31 1.96 -1.93 0.00 0.00 178.83 179.43 1r63 h GLN 29 N 0.36 0.73 -0.76 1.69 7.50 -1.95 0.19 115.11 122.87 1r63 h GLN 29 Ca 0.52 -0.39 0.01 0.00 0.50 0.00 0.00 58.65 59.28 1r63 h GLN 29 Cb 0.96 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.47 1r63 h GLN 29 CO -0.53 1.01 0.50 0.77 -1.50 0.00 0.00 178.83 179.09 1r63 h SER 30 N 0.48 0.87 0.08 1.46 0.02 -1.72 -0.91 113.55 113.83 1r63 h SER 30 Ca 0.04 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1r63 h SER 30 Cb 0.89 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1r63 h SER 30 CO 0.08 0.63 -0.10 0.40 -1.14 0.00 0.00 176.83 176.70 1r63 h ILE 31 N 1.02 0.78 -0.10 3.27 1.08 -0.69 -2.77 117.51 120.10 1r63 h ILE 31 Ca 0.28 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.77 1r63 h ILE 31 Cb -0.12 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 1r63 h ILE 31 CO -0.06 0.00 -0.48 -0.08 -0.69 0.00 0.00 178.15 176.84 1r63 h GLU 32 N -0.20 -0.51 -0.68 2.37 4.57 0.27 0.29 114.58 120.67 1r63 h GLU 32 Ca 0.01 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 1r63 h GLU 32 Cb 0.21 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.83 1r63 h GLU 32 CO -0.04 -0.34 0.28 -0.56 -1.18 0.00 0.00 179.01 177.16 1r63 h GLN 33 N -0.53 0.44 -0.13 1.92 3.07 -1.25 0.57 115.11 119.19 1r63 h GLN 33 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1r63 h GLN 33 Cb 0.61 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1r63 h GLN 33 CO -0.38 0.29 0.04 1.25 0.09 0.00 0.00 178.83 180.13 1r63 h LEU 34 N 0.45 0.19 -1.36 0.06 6.46 -0.92 0.11 115.31 120.30 1r63 h LEU 34 Ca 0.36 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1r63 h LEU 34 Cb 0.47 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 1r63 h LEU 34 CO -0.34 0.35 0.45 -0.08 -0.62 0.00 0.00 178.44 178.20 1r63 h GLU 35 N 0.02 0.81 0.00 1.25 4.81 0.14 0.26 114.58 121.88 1r63 h GLU 35 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1r63 h GLU 35 Cb 0.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1r63 h GLU 35 CO -0.00 0.54 0.00 0.09 -0.73 0.00 0.00 179.01 178.90 1r63 n ASN 36 N -4.46 0.00 -1.62 1.04 3.02 0.13 -4.41 115.26 108.97 1r63 n ASN 36 Ca 0.08 -0.92 -0.11 0.00 -0.03 0.00 0.00 54.58 53.60 1r63 n ASN 36 Cb 0.12 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.61 0.11 0.12 7.41 0.00 0.92 -4.93 105.19 109.43 1r63 n GLY 37 Ca 0.17 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.73 0.27 -7.37 1.61 3.64 -0.92 -3.45 116.57 109.62 1r63 h LYS 38 Ca -0.26 -0.24 -0.47 0.00 -1.27 0.00 0.00 60.65 58.41 1r63 h LYS 38 Cb 1.18 0.06 0.08 0.00 -0.41 0.00 0.00 32.23 33.14 1r63 h LYS 38 CO 0.27 0.91 0.28 -0.08 -2.27 0.00 0.00 179.45 178.57 1r63 s THR 39 N -3.45 2.49 0.00 1.00 -1.32 -1.26 -5.02 115.64 108.07 1r63 s THR 39 Ca -0.15 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1r63 s THR 39 Cb 0.03 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.92 1r63 s THR 39 CO 0.76 -0.11 0.00 0.29 -2.21 0.00 0.00 174.62 173.35 1r63 n LYS 40 N -2.98 3.58 -3.09 7.08 5.02 -1.26 -4.91 118.16 121.60 1r63 n LYS 40 Ca 0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1r63 n LYS 40 Cb 0.60 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.85 1r63 n LYS 40 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1r63 n ARG 41 N -1.19 0.55 -1.69 1.97 3.00 -1.26 -5.07 116.66 112.97 1r63 n ARG 41 Ca 0.00 -2.72 -0.43 0.00 -0.00 0.00 0.00 57.85 54.71 1r63 n ARG 41 Cb 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.02 1r63 n ARG 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1r63 n PRO 42 N 2.08 2.11 -0.12 -0.14 -0.02 -1.26 -4.92 135.00 132.74 1r63 n PRO 42 Ca 0.20 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 62.32 1r63 n PRO 42 Cb 0.54 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1r63 n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r63 h ARG 43 N 2.71 0.61 -0.99 -0.52 3.08 -2.03 -2.61 114.38 114.63 1r63 h ARG 43 Ca -0.46 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.39 1r63 h ARG 43 Cb 1.28 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1r63 h ARG 43 CO 0.64 0.71 0.02 1.97 -1.07 0.00 0.00 179.97 182.24 1r63 n PHE 44 N -4.52 0.16 -0.16 3.04 -1.74 -1.26 -4.53 117.46 108.45 1r63 n PHE 44 Ca -0.02 -0.33 -0.11 0.00 -0.56 0.00 0.00 57.45 56.43 1r63 n PHE 44 Cb 0.26 -0.22 -0.08 0.00 1.52 0.00 0.00 39.48 40.96 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 0.65 -1.63 -1.69 5.98 3.38 -1.84 0.81 115.31 120.99 1r63 h LEU 45 Ca 0.02 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1r63 h LEU 45 Cb 0.87 0.68 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1r63 h LEU 45 CO 0.05 -0.32 -0.04 1.55 0.09 0.00 0.00 178.44 179.77 1r63 h PRO 46 N -0.28 0.14 -0.13 1.13 0.13 -1.87 0.46 132.00 131.58 1r63 h PRO 46 Ca 0.07 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 1r63 h PRO 46 Cb 0.48 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1r63 h PRO 46 CO -0.55 0.20 -0.08 0.93 -0.23 0.00 0.00 178.00 178.26 1r63 h GLU 47 N 0.14 0.28 -0.13 0.86 5.08 -1.60 0.17 114.58 119.37 1r63 h GLU 47 Ca 0.03 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1r63 h GLU 47 Cb 0.18 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1r63 h GLU 47 CO 0.01 0.64 -0.01 1.25 -1.00 0.00 0.00 179.01 179.89 1r63 h LEU 48 N -0.09 -0.08 -0.53 1.33 5.85 -0.49 -0.07 115.31 121.24 1r63 h LEU 48 Ca 0.03 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1r63 h LEU 48 Cb 0.57 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1r63 h LEU 48 CO 0.02 -0.02 0.11 0.00 -0.34 0.00 0.00 178.44 178.21 1r63 h ALA 49 N 1.12 0.60 0.77 1.25 0.00 -0.80 0.31 119.26 122.51 1r63 h ALA 49 Ca 0.06 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1r63 h ALA 49 Cb 0.08 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1r63 h ALA 49 CO -0.11 -0.31 -0.47 1.03 0.00 0.00 0.00 179.25 179.39 1r63 h SER 50 N 0.24 -1.17 -0.02 0.00 0.87 -0.14 0.39 113.55 113.72 1r63 h SER 50 Ca 0.27 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1r63 h SER 50 Cb 0.37 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1r63 h SER 50 CO -0.35 -0.72 -0.05 0.00 -0.53 0.00 0.00 176.83 175.18 1r63 h ALA 51 N -1.04 -0.03 0.00 6.23 0.00 -0.62 -1.24 119.26 122.56 1r63 h ALA 51 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1r63 h ALA 51 Cb 0.93 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1r63 h ALA 51 CO 0.11 -0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.10 1r63 n LEU 52 N -5.16 0.59 -1.43 0.00 4.77 0.06 -4.91 117.00 110.93 1r63 n LEU 52 Ca -0.06 0.64 -0.03 0.00 -0.03 0.00 0.00 56.01 56.53 1r63 n LEU 52 Cb 0.10 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1r63 n LEU 52 CO 0.30 -0.50 0.02 0.61 -1.33 0.00 0.00 177.39 176.49 1r63 n GLY 53 N 0.09 0.32 3.33 -0.72 0.00 -0.31 -4.94 105.19 102.96 1r63 n GLY 53 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.07 0.00 0.44 1.61 -7.23 -0.02 -5.04 120.40 107.08 1r63 s VAL 54 Ca 0.01 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1r63 s VAL 54 Cb -0.00 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1r63 s VAL 54 CO 0.14 0.00 0.71 -0.94 -0.31 0.00 0.00 175.10 174.70 1r63 s SER 55 N -3.11 6.26 0.18 4.85 1.04 -1.26 -4.09 113.70 117.56 1r63 s SER 55 Ca 0.33 0.77 -0.13 0.00 0.48 0.00 0.00 55.95 57.40 1r63 s SER 55 Cb 0.04 -2.17 0.12 0.00 0.10 0.00 0.00 66.02 64.12 1r63 s SER 55 CO 0.11 -0.50 1.81 0.58 0.98 0.00 0.00 173.24 176.22 1r63 h VAL 56 N 0.39 1.03 -0.21 5.02 2.07 -1.92 -0.59 116.25 122.03 1r63 h VAL 56 Ca -0.48 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 66.89 1r63 h VAL 56 Cb 1.21 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1r63 h VAL 56 CO 0.61 0.11 -0.21 -0.78 0.02 0.00 0.00 177.57 177.32 1r63 h ASP 57 N 0.59 -0.67 -0.67 0.57 3.58 -1.98 0.98 116.42 118.82 1r63 h ASP 57 Ca 0.22 0.12 0.05 0.00 0.42 0.00 0.00 57.03 57.84 1r63 h ASP 57 Cb 0.06 0.32 -0.05 0.00 1.72 0.00 0.00 39.33 41.37 1r63 h ASP 57 CO -0.11 -0.25 0.39 -0.25 -2.88 0.00 0.00 179.24 176.13 1r63 h TRP 58 N -0.23 0.72 0.09 0.28 7.01 -1.89 0.14 115.95 122.08 1r63 h TRP 58 Ca 0.13 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1r63 h TRP 58 Cb 0.42 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 1r63 h TRP 58 CO -0.35 0.37 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.37 1r63 h LEU 59 N 0.74 -0.64 0.14 0.65 3.38 -0.36 -1.23 115.31 117.98 1r63 h LEU 59 Ca 0.29 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1r63 h LEU 59 Cb 0.13 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1r63 h LEU 59 CO -0.16 -0.31 -0.07 0.25 0.09 0.00 0.00 178.44 178.25 1r63 h LEU 60 N -0.40 -0.16 0.00 1.67 6.46 0.18 -3.41 115.31 119.65 1r63 h LEU 60 Ca 0.04 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1r63 h LEU 60 Cb 0.44 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1r63 h LEU 60 CO -0.15 -0.10 -0.48 -1.13 -0.62 0.00 0.00 178.44 175.97 1r63 h ASN 61 N -0.21 0.00 0.00 1.25 -0.73 -0.88 -3.46 115.58 111.55 1r63 h ASN 61 Ca -0.02 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.05 1r63 h ASN 61 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1r63 h ASN 61 CO 0.03 0.80 0.00 0.61 -0.37 0.00 0.00 177.43 178.51 1r63 n GLY 62 N 1.63 0.64 0.70 1.57 0.00 -0.46 -4.96 105.19 104.31 1r63 n GLY 62 Ca -0.09 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.41 1r63 n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02