#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r69 h ILE 2 N 0.00 1.16 -0.51 -1.33 2.10 -1.85 -1.70 117.51 115.38 1r69 h ILE 2 Ca 0.00 -0.51 -0.06 0.00 1.08 0.00 0.00 64.86 65.36 1r69 h ILE 2 Cb 0.00 0.70 -0.02 0.00 -1.09 0.00 0.00 36.82 36.41 1r69 h ILE 2 CO 0.00 0.20 0.07 0.77 -1.08 0.00 0.00 178.15 178.11 1r69 h SER 3 N 0.57 0.81 -0.06 2.19 4.64 -1.88 0.68 113.55 120.50 1r69 h SER 3 Ca 0.14 -0.27 -0.22 0.00 -0.47 0.00 0.00 61.79 60.98 1r69 h SER 3 Cb 0.14 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1r69 h SER 3 CO -0.01 0.87 -0.78 0.77 -0.87 0.00 0.00 176.83 176.82 1r69 h SER 4 N 0.72 0.85 -0.02 4.97 4.64 -1.80 -2.35 113.55 120.56 1r69 h SER 4 Ca 0.15 -0.56 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 1r69 h SER 4 Cb 0.41 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1r69 h SER 4 CO 0.01 1.35 -0.23 0.03 -0.87 0.00 0.00 176.83 177.12 1r69 h ARG 5 N 0.48 0.42 -0.12 4.77 3.08 -1.20 -1.18 114.38 120.65 1r69 h ARG 5 Ca -0.05 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 1r69 h ARG 5 Cb 1.39 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1r69 h ARG 5 CO 0.15 0.63 -0.30 0.28 -1.07 0.00 0.00 179.97 179.67 1r69 h VAL 6 N 0.38 1.38 0.11 2.04 2.07 -0.86 -2.57 116.25 118.81 1r69 h VAL 6 Ca 0.06 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1r69 h VAL 6 Cb 0.62 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1r69 h VAL 6 CO 0.04 0.47 -0.05 0.50 0.02 0.00 0.00 177.57 178.55 1r69 h LYS 7 N -0.02 -0.14 -0.60 1.57 3.64 -1.31 -0.95 116.57 118.76 1r69 h LYS 7 Ca -0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1r69 h LYS 7 Cb 0.91 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.68 1r69 h LYS 7 CO 0.06 -0.07 0.19 1.03 -2.27 0.00 0.00 179.45 178.40 1r69 h SER 8 N -0.18 0.14 -0.09 4.20 0.87 -1.27 -1.66 113.55 115.57 1r69 h SER 8 Ca -0.01 0.09 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 1r69 h SER 8 Cb 0.14 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1r69 h SER 8 CO 0.02 0.09 -0.74 0.11 -0.53 0.00 0.00 176.83 175.78 1r69 h LYS 9 N 0.35 0.65 -0.54 2.24 1.79 -1.36 -2.80 116.57 116.90 1r69 h LYS 9 Ca 0.31 -0.59 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 1r69 h LYS 9 Cb 0.41 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1r69 h LYS 9 CO -0.34 1.20 0.21 0.07 -1.08 0.00 0.00 179.45 179.51 1r69 h ARG 10 N 0.31 0.78 -0.54 3.15 0.11 -0.84 -2.17 114.38 115.19 1r69 h ARG 10 Ca -0.07 -0.12 -0.05 0.00 0.10 0.00 0.00 59.98 59.84 1r69 h ARG 10 Cb 1.39 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1r69 h ARG 10 CO 0.15 0.65 0.13 0.82 0.10 0.00 0.00 179.97 181.82 1r69 h ILE 11 N 0.78 1.24 0.00 0.08 2.04 -1.33 0.84 117.51 121.16 1r69 h ILE 11 Ca 0.18 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1r69 h ILE 11 Cb 0.17 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1r69 h ILE 11 CO -0.02 0.32 -0.12 -0.61 0.00 0.00 0.00 178.15 177.73 1r69 h GLN 12 N 0.76 0.00 -0.00 2.37 4.15 -1.20 -1.89 115.11 119.30 1r69 h GLN 12 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1r69 h GLN 12 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1r69 h GLN 12 CO 0.00 0.12 -0.51 1.28 -1.93 0.00 0.00 178.83 177.79 1r69 n LEU 13 N -4.23 0.80 -1.34 -2.39 4.77 -0.84 -4.97 117.00 108.80 1r69 n LEU 13 Ca -0.03 -0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 55.70 1r69 n LEU 13 Cb 0.19 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1r69 n LEU 13 CO 0.34 0.18 0.06 0.61 -1.33 0.00 0.00 177.39 177.25 1r69 n GLY 14 N 1.45 0.51 3.56 -0.72 0.00 -0.64 -5.05 105.19 104.29 1r69 n GLY 14 Ca 0.07 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1r69 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r69 s LEU 15 N -2.73 3.07 0.56 0.99 1.43 0.20 -5.01 118.68 117.18 1r69 s LEU 15 Ca 0.16 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1r69 s LEU 15 Cb -0.07 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.56 1r69 s LEU 15 CO 0.20 0.35 0.77 0.54 0.23 0.00 0.00 176.35 178.44 1r69 s ASN 16 N -0.76 5.14 0.33 2.29 2.20 -1.26 -4.26 114.94 118.62 1r69 s ASN 16 Ca 0.12 -0.51 0.02 0.00 -0.94 0.00 0.00 52.86 51.54 1r69 s ASN 16 Cb -0.11 -0.20 0.58 0.00 -2.00 0.00 0.00 41.25 39.52 1r69 s ASN 16 CO 0.01 -1.25 1.94 1.56 -2.94 0.00 0.00 177.10 176.42 1r69 h GLN 17 N 0.15 0.77 -0.60 3.55 4.20 -1.99 -2.42 115.11 118.77 1r69 h GLN 17 Ca -0.36 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.17 1r69 h GLN 17 Cb 1.28 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1r69 h GLN 17 CO 0.43 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 179.19 1r69 h ALA 18 N 1.52 0.86 -0.48 3.87 0.00 -1.95 -1.25 119.26 121.83 1r69 h ALA 18 Ca 0.19 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1r69 h ALA 18 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1r69 h ALA 18 CO -0.03 0.67 -0.20 0.93 0.00 0.00 0.00 179.25 180.63 1r69 h GLU 19 N 0.97 0.98 -0.43 0.00 5.08 -1.90 -2.44 114.58 116.83 1r69 h GLU 19 Ca 0.17 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1r69 h GLU 19 Cb 0.55 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1r69 h GLU 19 CO 0.03 1.08 -0.30 1.25 -1.00 0.00 0.00 179.01 180.06 1r69 h LEU 20 N 0.85 1.00 -0.01 1.33 5.85 -1.31 -2.19 115.31 120.83 1r69 h LEU 20 Ca 0.11 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1r69 h LEU 20 Cb 0.77 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1r69 h LEU 20 CO 0.06 1.22 -0.01 0.00 -0.34 0.00 0.00 178.44 179.37 1r69 h ALA 21 N 0.84 0.01 -0.35 1.25 0.00 -1.13 -1.18 119.26 118.70 1r69 h ALA 21 Ca 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1r69 h ALA 21 Cb 0.89 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1r69 h ALA 21 CO 0.08 -0.50 0.01 1.96 0.00 0.00 0.00 179.25 180.80 1r69 h GLN 22 N -0.00 0.53 -0.24 0.00 4.20 -1.42 0.60 115.11 118.77 1r69 h GLN 22 Ca 0.01 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 1r69 h GLN 22 Cb 0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1r69 h GLN 22 CO -0.02 0.55 -0.50 0.87 -0.67 0.00 0.00 178.83 179.06 1r69 h LYS 23 N 0.51 0.68 0.08 1.46 1.79 -1.11 -3.16 116.57 116.83 1r69 h LYS 23 Ca 0.11 -0.40 -0.26 0.00 -2.18 0.00 0.00 60.65 57.92 1r69 h LYS 23 Cb 0.31 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1r69 h LYS 23 CO 0.01 1.02 -1.20 0.28 -1.08 0.00 0.00 179.45 178.48 1r69 h VAL 24 N 0.53 1.53 -0.38 0.50 2.07 -0.91 -3.48 116.25 116.10 1r69 h VAL 24 Ca 0.02 -3.16 0.00 0.00 0.82 0.00 0.00 66.70 64.39 1r69 h VAL 24 Cb 1.06 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1r69 h VAL 24 CO 0.10 0.91 0.00 0.61 0.02 0.00 0.00 177.57 179.21 1r69 n GLY 25 N 1.48 1.01 1.29 2.17 0.00 0.20 -4.95 105.19 106.39 1r69 n GLY 25 Ca -0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1r69 n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r69 n THR 26 N -1.87 0.00 -2.86 2.61 5.66 -0.44 -5.02 114.28 112.37 1r69 n THR 26 Ca 0.00 -0.88 -0.28 0.00 -3.05 0.00 0.00 64.05 59.84 1r69 n THR 26 Cb 0.29 0.23 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 1r69 n THR 26 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1r69 s THR 27 N -1.84 4.89 0.19 1.09 -4.23 -1.26 -4.40 115.64 110.07 1r69 s THR 27 Ca 0.03 0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1r69 s THR 27 Cb 0.00 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.15 1r69 s THR 27 CO 0.02 -0.63 1.77 -0.61 -0.54 0.00 0.00 174.62 174.63 1r69 h GLN 28 N 0.85 0.95 -0.70 3.99 -0.00 -1.94 -2.81 115.11 115.45 1r69 h GLN 28 Ca -0.47 -0.14 0.04 0.00 -0.00 0.00 0.00 58.65 58.08 1r69 h GLN 28 Cb 1.20 -0.17 -0.04 0.00 0.00 0.00 0.00 27.48 28.47 1r69 h GLN 28 CO 0.63 0.75 0.46 0.37 0.00 0.00 0.00 178.83 181.05 1r69 h GLN 29 N 0.91 0.80 -0.55 1.69 4.15 -1.97 -1.87 115.11 118.28 1r69 h GLN 29 Ca 0.23 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 1r69 h GLN 29 Cb 0.12 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1r69 h GLN 29 CO -0.03 0.53 -0.02 0.77 -1.93 0.00 0.00 178.83 178.16 1r69 h SER 30 N 0.83 0.93 -0.49 -0.69 0.02 -1.90 -1.51 113.55 110.75 1r69 h SER 30 Ca 0.29 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1r69 h SER 30 Cb 0.10 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1r69 h SER 30 CO -0.08 1.00 -0.10 0.40 -1.14 0.00 0.00 176.83 176.90 1r69 h ILE 31 N 0.88 1.27 -0.51 3.27 1.08 -1.30 -2.51 117.51 119.69 1r69 h ILE 31 Ca 0.16 -1.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 1r69 h ILE 31 Cb 0.54 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1r69 h ILE 31 CO 0.03 0.43 0.23 -0.33 -0.69 0.00 0.00 178.15 177.82 1r69 h GLU 32 N 0.78 0.74 -0.20 2.37 5.08 -1.20 -1.67 114.58 120.48 1r69 h GLU 32 Ca 0.12 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1r69 h GLU 32 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1r69 h GLU 32 CO 0.05 0.63 -0.23 1.96 -1.00 0.00 0.00 179.01 180.42 1r69 h GLN 33 N 0.68 0.36 -0.07 2.33 4.20 -1.23 -1.32 115.11 120.05 1r69 h GLN 33 Ca 0.17 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.53 1r69 h GLN 33 Cb 0.14 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1r69 h GLN 33 CO -0.02 0.57 -0.88 1.25 -0.67 0.00 0.00 178.83 179.08 1r69 h LEU 34 N 0.32 0.79 -0.61 1.46 5.85 -1.21 0.45 115.31 122.35 1r69 h LEU 34 Ca 0.05 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1r69 h LEU 34 Cb 0.58 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1r69 h LEU 34 CO 0.04 1.36 0.00 -0.33 -0.34 0.00 0.00 178.44 179.17 1r69 h GLU 35 N 0.40 0.00 -0.64 1.25 5.08 -1.07 -2.98 114.58 116.62 1r69 h GLU 35 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1r69 h GLU 35 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1r69 h GLU 35 CO 0.17 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 1r69 n ASN 36 N -2.78 3.96 -1.53 1.42 3.02 -0.52 -4.74 115.26 114.09 1r69 n ASN 36 Ca 0.03 -2.12 -0.17 0.00 -0.03 0.00 0.00 54.58 52.29 1r69 n ASN 36 Cb 0.38 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1r69 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r69 n GLY 37 N 1.29 0.84 0.11 7.41 0.00 -1.12 -4.91 105.19 108.80 1r69 n GLY 37 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1r69 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r69 h LYS 38 N 0.00 0.00 -4.17 1.61 1.57 -0.35 -3.44 116.57 111.79 1r69 h LYS 38 Ca -0.36 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.96 1r69 h LYS 38 Cb 1.17 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.14 1r69 h LYS 38 CO 0.49 0.54 -0.79 0.95 -0.57 0.00 0.00 179.45 180.07 1r69 s THR 39 N -2.89 0.76 -0.02 -0.16 -4.23 -1.08 -4.98 115.64 103.03 1r69 s THR 39 Ca 0.01 -0.22 0.11 0.00 -1.18 0.00 0.00 61.69 60.41 1r69 s THR 39 Cb 0.08 -0.76 -0.18 0.00 1.34 0.00 0.00 72.50 72.99 1r69 s THR 39 CO 0.78 0.28 0.24 0.29 -0.54 0.00 0.00 174.62 175.68 1r69 n LYS 40 N 4.19 0.41 -3.22 3.99 5.02 -1.26 -4.47 118.16 122.82 1r69 n LYS 40 Ca -0.21 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 55.74 1r69 n LYS 40 Cb 0.51 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1r69 n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1r69 n ARG 41 N -1.91 1.15 -0.74 1.97 1.74 -1.26 -5.02 116.66 112.58 1r69 n ARG 41 Ca -0.03 -3.54 -0.30 0.00 -0.77 0.00 0.00 57.85 53.21 1r69 n ARG 41 Cb 0.32 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.43 1r69 n ARG 41 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1r69 s PRO 42 N -1.69 0.68 0.34 5.56 0.04 -1.26 -4.91 135.00 133.75 1r69 s PRO 42 Ca 0.37 1.30 0.16 0.00 0.04 0.00 0.00 61.00 62.88 1r69 s PRO 42 Cb 0.20 -1.71 0.54 0.00 0.04 0.00 0.00 34.50 33.57 1r69 s PRO 42 CO -0.09 -2.78 1.67 0.07 0.04 0.00 0.00 177.00 175.91 1r69 h ARG 43 N -1.97 0.00 -1.18 4.56 -0.00 -2.03 -3.28 114.38 110.48 1r69 h ARG 43 Ca -0.48 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.17 1r69 h ARG 43 Cb 1.28 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 31.08 1r69 h ARG 43 CO 0.45 0.46 0.42 1.97 -0.00 0.00 0.00 179.97 183.28 1r69 n PHE 44 N -3.58 1.78 -0.16 4.08 -1.74 -1.26 -4.69 117.46 111.89 1r69 n PHE 44 Ca -0.00 -1.64 -0.08 0.00 -0.56 0.00 0.00 57.45 55.17 1r69 n PHE 44 Cb 0.56 -0.81 0.01 0.00 1.52 0.00 0.00 39.48 40.76 1r69 n PHE 44 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1r69 h LEU 45 N 1.60 0.58 -0.97 5.98 3.38 -1.95 -1.51 115.31 122.42 1r69 h LEU 45 Ca 0.35 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1r69 h LEU 45 Cb 1.57 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.14 1r69 h LEU 45 CO 0.74 0.50 0.39 -0.65 0.09 0.00 0.00 178.44 179.51 1r69 h PRO 46 N 0.61 1.13 -0.02 1.13 0.11 -1.93 -0.90 132.00 132.14 1r69 h PRO 46 Ca 0.16 -0.15 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 1r69 h PRO 46 Cb 0.04 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 1r69 h PRO 46 CO -0.03 0.86 -0.64 0.93 -0.21 0.00 0.00 178.00 178.91 1r69 h GLU 47 N 1.12 0.07 -0.26 1.05 3.07 -1.89 -2.79 114.58 114.96 1r69 h GLU 47 Ca 0.28 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.94 1r69 h GLU 47 Cb 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1r69 h GLU 47 CO -0.04 0.69 -0.39 1.25 -1.40 0.00 0.00 179.01 179.12 1r69 h LEU 48 N 0.05 0.79 -0.63 1.33 5.85 -0.81 -2.10 115.31 119.80 1r69 h LEU 48 Ca -0.01 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1r69 h LEU 48 Cb 1.14 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1r69 h LEU 48 CO 0.09 1.15 0.30 0.00 -0.34 0.00 0.00 178.44 179.64 1r69 h ALA 49 N 0.66 0.81 -0.37 1.25 0.00 -1.15 -2.41 119.26 118.05 1r69 h ALA 49 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1r69 h ALA 49 Cb 0.98 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1r69 h ALA 49 CO 0.09 0.37 -0.01 1.03 0.00 0.00 0.00 179.25 180.73 1r69 h SER 50 N 0.86 0.65 0.46 0.00 0.87 -1.49 0.16 113.55 115.07 1r69 h SER 50 Ca 0.22 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1r69 h SER 50 Cb 0.12 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1r69 h SER 50 CO -0.03 0.81 -0.29 0.00 -0.53 0.00 0.00 176.83 176.79 1r69 h ALA 51 N 0.87 1.29 -0.01 6.23 0.00 -1.30 -2.82 119.26 123.52 1r69 h ALA 51 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r69 h ALA 51 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1r69 h ALA 51 CO 0.02 0.37 -0.46 1.28 0.00 0.00 0.00 179.25 180.46 1r69 n LEU 52 N -3.87 1.18 -2.99 0.00 4.77 -0.92 -4.97 117.00 110.20 1r69 n LEU 52 Ca -0.02 -0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 55.40 1r69 n LEU 52 Cb 0.37 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1r69 n LEU 52 CO 0.36 0.23 0.19 0.61 -1.33 0.00 0.00 177.39 177.45 1r69 n GLY 53 N 1.41 -0.27 3.35 -0.72 0.00 -0.52 -4.98 105.19 103.46 1r69 n GLY 53 Ca 0.09 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1r69 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r69 s VAL 54 N -3.25 0.53 0.50 1.61 -7.23 0.44 -5.03 120.40 107.97 1r69 s VAL 54 Ca 0.47 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1r69 s VAL 54 Cb -0.21 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1r69 s VAL 54 CO 0.58 0.00 0.78 -0.94 -0.31 0.00 0.00 175.10 175.20 1r69 s SER 55 N -3.37 5.96 0.15 4.85 1.04 -1.26 -4.04 113.70 117.03 1r69 s SER 55 Ca 0.36 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 1r69 s SER 55 Cb 0.06 -1.91 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 1r69 s SER 55 CO 0.15 -0.73 1.38 0.58 0.98 0.00 0.00 173.24 175.60 1r69 h VAL 56 N 0.18 1.35 0.07 5.02 2.07 -1.92 -3.05 116.25 119.97 1r69 h VAL 56 Ca -0.47 -2.12 0.02 0.00 0.82 0.00 0.00 66.70 64.95 1r69 h VAL 56 Cb 1.23 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1r69 h VAL 56 CO 0.60 0.65 -0.16 0.44 0.02 0.00 0.00 177.57 179.12 1r69 h ASP 57 N 0.35 -0.44 -0.33 0.57 3.32 -1.94 -2.37 116.42 115.57 1r69 h ASP 57 Ca -0.04 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.12 1r69 h ASP 57 Cb 1.36 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 41.03 1r69 h ASP 57 CO 0.14 -0.23 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.18 1r69 h TRP 58 N -0.30 -0.03 -0.07 4.55 7.01 -1.81 0.13 115.95 125.44 1r69 h TRP 58 Ca 0.03 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.09 1r69 h TRP 58 Cb 0.33 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 1r69 h TRP 58 CO -0.18 -0.06 -0.22 -0.07 -2.79 0.00 0.00 178.44 175.12 1r69 h LEU 59 N 0.09 -0.67 -0.14 0.65 3.38 -1.38 0.11 115.31 117.35 1r69 h LEU 59 Ca 0.16 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1r69 h LEU 59 Cb 0.22 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1r69 h LEU 59 CO -0.27 -0.28 -0.41 -0.07 0.09 0.00 0.00 178.44 177.50 1r69 h LEU 60 N -0.31 0.61 0.00 1.67 3.38 -1.22 -3.33 115.31 116.10 1r69 h LEU 60 Ca 0.08 -0.59 -0.24 0.00 0.09 0.00 0.00 57.88 57.22 1r69 h LEU 60 Cb 0.43 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1r69 h LEU 60 CO -0.25 1.10 -1.93 0.59 0.09 0.00 0.00 178.44 178.04 1r69 n ASN 61 N -4.28 1.61 0.00 -0.43 3.02 0.45 -4.74 115.26 110.88 1r69 n ASN 61 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1r69 n ASN 61 Cb 0.55 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.59 1r69 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r69 n GLY 62 N 2.13 0.56 0.00 7.41 0.00 0.38 -5.03 105.19 110.64 1r69 n GLY 62 Ca -0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1r69 n GLY 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73