#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r63 n ILE 2 N 0.00 -0.34 0.14 0.44 0.00 -1.26 -0.75 119.36 117.59 1r63 n ILE 2 Ca 0.00 1.83 -0.14 0.00 0.00 0.00 0.00 62.75 64.44 1r63 n ILE 2 Cb 0.00 -2.57 -0.07 0.00 0.00 0.00 0.00 39.64 37.00 1r63 n ILE 2 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1r63 h SER 3 N 0.00 -0.36 -0.41 9.51 0.87 -1.82 -0.88 113.55 120.47 1r63 h SER 3 Ca 0.42 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 61.07 1r63 h SER 3 Cb 0.71 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.73 1r63 h SER 3 CO -0.81 -0.22 0.07 -1.28 -0.53 0.00 0.00 176.83 174.05 1r63 h SER 4 N -0.34 -0.03 0.04 6.23 0.87 -1.19 -0.60 113.55 118.53 1r63 h SER 4 Ca -0.01 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1r63 h SER 4 Cb 0.30 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 1r63 h SER 4 CO 0.01 0.02 -0.38 0.03 -0.53 0.00 0.00 176.83 175.98 1r63 h ARG 5 N 0.19 -0.54 0.16 2.24 3.08 -0.44 0.17 114.38 119.24 1r63 h ARG 5 Ca 0.20 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1r63 h ARG 5 Cb 0.25 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1r63 h ARG 5 CO -0.27 -0.36 -0.25 0.28 -1.07 0.00 0.00 179.97 178.30 1r63 h VAL 6 N -0.56 0.46 0.02 2.04 2.07 -0.76 0.77 116.25 120.29 1r63 h VAL 6 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1r63 h VAL 6 Cb 0.62 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1r63 h VAL 6 CO -0.27 0.00 -0.09 0.50 0.02 0.00 0.00 177.57 177.73 1r63 h LYS 7 N -0.48 -0.16 -0.62 1.57 3.64 -0.88 0.15 116.57 119.79 1r63 h LYS 7 Ca 0.02 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1r63 h LYS 7 Cb 0.48 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1r63 h LYS 7 CO -0.11 -0.11 0.26 0.77 -2.27 0.00 0.00 179.45 177.99 1r63 h SER 8 N -0.17 0.81 0.12 4.20 0.02 -0.50 -0.45 113.55 117.58 1r63 h SER 8 Ca 0.03 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1r63 h SER 8 Cb 0.20 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1r63 h SER 8 CO -0.08 0.72 -0.45 0.11 -1.14 0.00 0.00 176.83 175.99 1r63 h LYS 9 N 0.88 0.41 -0.41 3.45 1.79 -0.34 -0.31 116.57 122.04 1r63 h LYS 9 Ca 0.21 -0.22 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1r63 h LYS 9 Cb 0.16 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 1r63 h LYS 9 CO -0.02 0.78 0.09 -0.09 -1.08 0.00 0.00 179.45 179.14 1r63 h ARG 10 N 0.33 0.22 -0.49 3.15 2.43 0.48 0.11 114.38 120.61 1r63 h ARG 10 Ca 0.02 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1r63 h ARG 10 Cb 0.93 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 1r63 h ARG 10 CO 0.08 0.15 0.20 0.82 -1.51 0.00 0.00 179.97 179.70 1r63 h ILE 11 N 0.23 0.87 -0.65 1.20 1.08 -0.60 0.16 117.51 119.79 1r63 h ILE 11 Ca 0.20 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 1r63 h ILE 11 Cb 0.23 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 1r63 h ILE 11 CO -0.25 0.07 0.37 1.56 -0.69 0.00 0.00 178.15 179.21 1r63 h GLN 12 N 0.39 0.67 0.00 2.37 1.08 -0.31 0.12 115.11 119.42 1r63 h GLN 12 Ca 0.23 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1r63 h GLN 12 Cb 0.22 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1r63 h GLN 12 CO -0.22 0.45 -0.13 -0.07 -0.95 0.00 0.00 178.83 177.91 1r63 h LEU 13 N 0.69 0.00 0.66 1.46 4.07 0.06 -3.46 115.31 118.79 1r63 h LEU 13 Ca 0.28 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.11 1r63 h LEU 13 Cb 0.14 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 1r63 h LEU 13 CO -0.16 0.13 -0.15 0.61 -1.08 0.00 0.00 178.44 177.79 1r63 n GLY 14 N -1.07 0.47 3.72 0.83 0.00 0.47 -5.02 105.19 104.58 1r63 n GLY 14 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.75 3.48 0.86 0.99 1.43 -1.16 -5.04 118.68 117.49 1r63 s LEU 15 Ca 0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1r63 s LEU 15 Cb 0.00 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.26 1r63 s LEU 15 CO 0.00 0.04 1.21 0.54 0.23 0.00 0.00 176.35 178.37 1r63 s ASN 16 N -3.29 4.03 0.17 2.29 2.20 -1.26 -4.65 114.94 114.43 1r63 s ASN 16 Ca 0.30 0.67 -0.11 0.00 -0.94 0.00 0.00 52.86 52.78 1r63 s ASN 16 Cb -0.09 -1.06 0.07 0.00 -2.00 0.00 0.00 41.25 38.18 1r63 s ASN 16 CO 0.21 -2.20 1.69 -0.61 -2.94 0.00 0.00 177.10 173.26 1r63 h GLN 17 N -1.26 0.96 0.01 3.55 4.15 -1.98 -0.97 115.11 119.57 1r63 h GLN 17 Ca -0.46 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 58.76 1r63 h GLN 17 Cb 1.31 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 1r63 h GLN 17 CO 0.59 0.87 -0.11 0.00 -1.93 0.00 0.00 178.83 178.25 1r63 h ALA 18 N 1.05 -0.12 -0.37 3.38 0.00 -1.94 0.58 119.26 121.83 1r63 h ALA 18 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1r63 h ALA 18 Cb 0.33 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1r63 h ALA 18 CO -0.00 -0.60 0.06 0.93 0.00 0.00 0.00 179.25 179.64 1r63 h GLU 19 N -0.19 0.17 0.28 0.00 4.39 -1.90 0.14 114.58 117.47 1r63 h GLU 19 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1r63 h GLU 19 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1r63 h GLU 19 CO -0.10 0.11 -0.30 1.25 -1.16 0.00 0.00 179.01 178.81 1r63 h LEU 20 N 0.18 -0.82 -0.35 1.33 6.46 -0.85 -1.83 115.31 119.43 1r63 h LEU 20 Ca 0.18 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1r63 h LEU 20 Cb 0.22 0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1r63 h LEU 20 CO -0.25 -0.42 0.10 0.00 -0.62 0.00 0.00 178.44 177.24 1r63 h ALA 21 N -0.04 0.39 -0.17 1.25 0.00 -0.35 -0.89 119.26 119.45 1r63 h ALA 21 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1r63 h ALA 21 Cb 0.58 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1r63 h ALA 21 CO -0.08 -0.30 -0.38 -0.56 0.00 0.00 0.00 179.25 177.93 1r63 h GLN 22 N 0.23 0.38 -0.09 0.00 -0.00 -0.63 0.23 115.11 115.22 1r63 h GLN 22 Ca 0.16 -0.18 -0.15 0.00 -0.00 0.00 0.00 58.65 58.49 1r63 h GLN 22 Cb 0.16 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.62 1r63 h GLN 22 CO -0.19 0.71 -0.59 1.57 -0.00 0.00 0.00 178.83 180.33 1r63 h LYS 23 N 0.32 0.29 -0.54 0.06 2.10 -1.09 -1.73 116.57 115.99 1r63 h LYS 23 Ca 0.03 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1r63 h LYS 23 Cb 0.82 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.15 1r63 h LYS 23 CO 0.07 0.80 0.34 0.28 -2.00 0.00 0.00 179.45 178.93 1r63 h VAL 24 N 0.22 1.15 0.00 0.07 2.07 -0.48 -3.47 116.25 115.81 1r63 h VAL 24 Ca -0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1r63 h VAL 24 Cb 1.09 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1r63 h VAL 24 CO 0.09 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1r63 n GLY 25 N -1.41 0.61 0.00 2.17 0.00 0.66 -4.86 105.19 102.37 1r63 n GLY 25 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.64 0.00 -4.10 2.61 5.66 -0.35 -4.99 114.28 110.48 1r63 n THR 26 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1r63 n THR 26 Cb 0.00 -0.70 -0.07 0.00 -1.55 0.00 0.00 70.33 68.02 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 0.79 4.30 0.28 1.09 -4.23 -1.26 -3.78 115.64 112.83 1r63 s THR 27 Ca 0.00 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1r63 s THR 27 Cb 0.00 -3.12 0.41 0.00 1.34 0.00 0.00 72.50 71.14 1r63 s THR 27 CO 0.00 0.02 1.57 -0.61 -0.54 0.00 0.00 174.62 175.06 1r63 h GLN 28 N 2.97 0.01 -0.83 3.99 -0.00 -1.86 0.19 115.11 119.59 1r63 h GLN 28 Ca -0.47 -0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.34 1r63 h GLN 28 Cb 1.18 -0.00 -0.16 0.00 0.00 0.00 0.00 27.48 28.50 1r63 h GLN 28 CO 0.63 0.01 -0.20 0.37 0.00 0.00 0.00 178.83 179.63 1r63 h GLN 29 N 0.01 0.00 0.06 1.69 5.75 -1.95 0.10 115.11 120.78 1r63 h GLN 29 Ca 0.50 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.00 1r63 h GLN 29 Cb 0.87 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 1r63 h GLN 29 CO -0.94 0.00 -0.06 0.77 -2.65 0.00 0.00 178.83 175.96 1r63 h SER 30 N 0.00 -0.14 -0.08 -0.69 0.02 -1.03 -1.82 113.55 109.81 1r63 h SER 30 Ca 0.40 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1r63 h SER 30 Cb 0.61 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1r63 h SER 30 CO -0.85 -0.09 0.04 0.40 -1.14 0.00 0.00 176.83 175.20 1r63 h ILE 31 N -0.13 1.09 -0.93 3.27 5.03 -1.28 -2.60 117.51 121.97 1r63 h ILE 31 Ca 0.00 -0.27 0.08 0.00 -0.12 0.00 0.00 64.86 64.56 1r63 h ILE 31 Cb 0.12 1.12 -0.11 0.00 -3.03 0.00 0.00 36.82 34.92 1r63 h ILE 31 CO -0.01 0.08 -0.57 -0.08 -0.68 0.00 0.00 178.15 176.89 1r63 h GLU 32 N 0.03 -0.02 -0.74 2.37 4.57 -0.48 0.35 114.58 120.66 1r63 h GLU 32 Ca 0.03 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1r63 h GLU 32 Cb 0.09 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1r63 h GLU 32 CO -0.00 -0.02 0.34 1.96 -1.18 0.00 0.00 179.01 180.11 1r63 h GLN 33 N -0.02 1.08 -0.40 1.92 1.08 -1.27 -0.27 115.11 117.22 1r63 h GLN 33 Ca 0.15 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1r63 h GLN 33 Cb 0.41 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 1r63 h GLN 33 CO -0.89 0.85 0.08 1.25 -0.95 0.00 0.00 178.83 179.18 1r63 h LEU 34 N 1.05 0.63 -1.12 1.46 6.46 -0.51 0.86 115.31 124.14 1r63 h LEU 34 Ca 0.25 -0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 1r63 h LEU 34 Cb 0.14 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1r63 h LEU 34 CO -0.03 0.71 -0.16 -0.08 -0.62 0.00 0.00 178.44 178.26 1r63 h GLU 35 N 0.52 0.43 0.00 1.25 4.81 -0.17 0.20 114.58 121.62 1r63 h GLU 35 Ca 0.13 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1r63 h GLU 35 Cb 0.34 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1r63 h GLU 35 CO 0.00 0.58 -0.18 -2.95 -0.73 0.00 0.00 179.01 175.74 1r63 h ASN 36 N 0.40 0.00 0.00 1.04 7.08 -0.74 -3.42 115.58 119.94 1r63 h ASN 36 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 1r63 h ASN 36 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 1r63 h ASN 36 CO 0.03 0.18 0.00 0.61 -2.08 0.00 0.00 177.43 176.17 1r63 n GLY 37 N -0.49 1.87 0.13 9.14 0.00 0.72 -4.92 105.19 111.64 1r63 n GLY 37 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.39 -6.62 1.61 3.64 -0.95 -3.47 116.57 111.17 1r63 h LYS 38 Ca 0.00 -0.66 -0.66 0.00 -1.27 0.00 0.00 60.65 58.05 1r63 h LYS 38 Cb 0.00 0.25 -0.17 0.00 -0.41 0.00 0.00 32.23 31.90 1r63 h LYS 38 CO 0.00 1.30 -0.77 0.99 -2.27 0.00 0.00 179.45 178.70 1r63 s THR 39 N -2.62 3.02 -0.17 1.00 2.01 -1.26 -5.02 115.64 112.60 1r63 s THR 39 Ca -0.09 -1.51 -0.03 0.00 0.31 0.00 0.00 61.69 60.37 1r63 s THR 39 Cb 0.06 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 70.05 1r63 s THR 39 CO 0.90 0.04 -0.19 2.29 -0.69 0.00 0.00 174.62 176.98 1r63 n LYS 40 N 0.57 0.40 -3.65 4.92 2.85 -1.26 -4.80 118.16 117.19 1r63 n LYS 40 Ca -0.14 0.13 -0.27 0.00 -1.05 0.00 0.00 58.31 56.98 1r63 n LYS 40 Cb 0.53 -1.24 -0.10 0.00 -0.65 0.00 0.00 35.03 33.57 1r63 n LYS 40 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1r63 n ARG 41 N -3.36 1.76 -1.48 -1.58 0.63 -1.26 -4.85 116.66 106.52 1r63 n ARG 41 Ca -0.32 -4.30 -0.33 0.00 -0.92 0.00 0.00 57.85 51.98 1r63 n ARG 41 Cb 0.79 -2.13 0.08 0.00 0.45 0.00 0.00 32.46 31.64 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 -1.56 2.38 0.20 -0.14 0.04 -1.26 -4.95 135.00 129.70 1r63 s PRO 42 Ca 0.31 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1r63 s PRO 42 Cb 0.04 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.91 1r63 s PRO 42 CO -0.12 -1.59 1.76 0.00 0.04 0.00 0.00 177.00 177.09 1r63 h ARG 43 N -0.48 0.45 -0.28 4.56 -0.00 -2.03 -2.02 114.38 114.58 1r63 h ARG 43 Ca -0.46 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.00 1r63 h ARG 43 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 31.12 1r63 h ARG 43 CO 0.51 0.30 0.00 1.97 0.00 0.00 0.00 179.97 182.75 1r63 n PHE 44 N -4.94 0.37 -0.19 3.04 -1.74 -1.26 -4.49 117.46 108.25 1r63 n PHE 44 Ca 0.07 -0.19 -0.07 0.00 -0.56 0.00 0.00 57.45 56.70 1r63 n PHE 44 Cb 0.22 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.20 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 1.66 -1.36 -1.36 5.98 7.12 -1.73 0.13 115.31 125.75 1r63 h LEU 45 Ca 0.00 0.23 -0.02 0.00 0.13 0.00 0.00 57.88 58.23 1r63 h LEU 45 Cb 0.38 0.63 -0.02 0.00 -0.53 0.00 0.00 40.66 41.12 1r63 h LEU 45 CO 0.00 -0.33 0.21 1.55 -0.13 0.00 0.00 178.44 179.74 1r63 h PRO 46 N -0.22 0.65 -0.30 5.25 0.13 -1.84 -0.18 132.00 135.50 1r63 h PRO 46 Ca 0.19 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1r63 h PRO 46 Cb 0.56 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1r63 h PRO 46 CO -0.67 0.51 -0.11 0.93 -0.23 0.00 0.00 178.00 178.43 1r63 h GLU 47 N 0.65 0.60 -0.06 0.86 5.08 -1.35 0.79 114.58 121.15 1r63 h GLU 47 Ca 0.16 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1r63 h GLU 47 Cb 0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1r63 h GLU 47 CO -0.02 0.82 -0.27 1.25 -1.00 0.00 0.00 179.01 179.78 1r63 h LEU 48 N 0.36 -0.83 -0.39 1.33 6.46 -0.50 -0.12 115.31 121.62 1r63 h LEU 48 Ca 0.07 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 1r63 h LEU 48 Cb 0.62 0.35 -0.07 0.00 -0.73 0.00 0.00 40.66 40.83 1r63 h LEU 48 CO 0.04 -0.33 -0.05 0.00 -0.62 0.00 0.00 178.44 177.48 1r63 h ALA 49 N 0.46 0.31 0.01 1.25 0.00 -0.63 0.84 119.26 121.49 1r63 h ALA 49 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1r63 h ALA 49 Cb 0.50 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1r63 h ALA 49 CO -0.28 -0.43 -0.01 1.03 0.00 0.00 0.00 179.25 179.56 1r63 h SER 50 N 0.05 -0.03 -0.64 0.00 0.87 -0.51 0.14 113.55 113.43 1r63 h SER 50 Ca 0.19 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1r63 h SER 50 Cb 0.28 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1r63 h SER 50 CO -0.36 -0.02 0.37 0.00 -0.53 0.00 0.00 176.83 176.29 1r63 h ALA 51 N 0.96 0.84 0.00 6.23 0.00 -0.48 -0.01 119.26 126.80 1r63 h ALA 51 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r63 h ALA 51 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r63 h ALA 51 CO -0.01 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.24 1r63 h LEU 52 N 0.69 0.00 -1.18 0.00 3.38 -0.50 -3.47 115.31 114.23 1r63 h LEU 52 Ca 0.28 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.00 1r63 h LEU 52 Cb 0.13 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.98 1r63 h LEU 52 CO -0.15 0.00 -0.47 0.61 0.09 0.00 0.00 178.44 178.52 1r63 n GLY 53 N -0.07 -0.06 3.30 0.83 0.00 0.33 -5.02 105.19 104.51 1r63 n GLY 53 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.22 1.14 0.70 1.61 -7.23 -0.28 -5.03 120.40 108.09 1r63 s VAL 54 Ca 0.27 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 1r63 s VAL 54 Cb -0.12 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1r63 s VAL 54 CO 0.48 -0.53 1.11 -0.94 -0.31 0.00 0.00 175.10 174.92 1r63 s SER 55 N -3.25 4.83 0.20 4.85 1.04 -1.26 -4.01 113.70 116.10 1r63 s SER 55 Ca 0.23 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.50 1r63 s SER 55 Cb 0.04 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.83 1r63 s SER 55 CO 0.05 -1.82 1.65 0.58 0.98 0.00 0.00 173.24 174.68 1r63 h VAL 56 N -0.37 0.49 -0.92 5.02 2.07 -1.91 -2.54 116.25 118.10 1r63 h VAL 56 Ca -0.46 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.20 1r63 h VAL 56 Cb 1.25 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 1r63 h VAL 56 CO 0.53 0.01 0.59 0.44 0.02 0.00 0.00 177.57 179.15 1r63 h ASP 57 N 0.05 0.66 -0.10 0.57 5.19 -1.91 0.19 116.42 121.07 1r63 h ASP 57 Ca 0.28 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1r63 h ASP 57 Cb 0.43 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 1r63 h ASP 57 CO -0.53 0.31 0.05 -0.25 -3.12 0.00 0.00 179.24 175.70 1r63 h TRP 58 N 0.69 0.15 0.51 4.55 7.01 -1.43 0.42 115.95 127.85 1r63 h TRP 58 Ca 0.47 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.44 1r63 h TRP 58 Cb 0.79 -0.05 0.01 0.00 -2.10 0.00 0.00 29.16 27.81 1r63 h TRP 58 CO -0.00 0.20 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.53 1r63 h LEU 59 N 0.05 -0.58 0.42 0.65 3.38 -1.30 -1.70 115.31 116.23 1r63 h LEU 59 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r63 h LEU 59 Cb 0.11 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1r63 h LEU 59 CO -0.00 -0.26 -0.48 0.25 0.09 0.00 0.00 178.44 178.03 1r63 h LEU 60 N -0.91 -1.35 0.00 1.67 5.85 -0.63 -3.41 115.31 116.53 1r63 h LEU 60 Ca -0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1r63 h LEU 60 Cb 0.60 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1r63 h LEU 60 CO 0.12 -0.63 0.00 -3.20 -0.34 0.00 0.00 178.44 174.39 1r63 n ASN 61 N -5.54 0.00 0.00 1.25 5.15 0.77 -5.04 115.26 111.85 1r63 n ASN 61 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1r63 n ASN 61 Cb 0.44 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 1r63 n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r63 n GLY 62 N 2.75 1.44 0.00 8.20 0.00 0.11 -4.90 105.19 112.79 1r63 n GLY 62 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1r63 n GLY 62 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95