#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3li6 n GLU 3 N 0.00 -0.77 -0.02 0.00 -0.58 -1.26 -4.92 120.64 113.09 3li6 n GLU 3 Ca 0.00 0.87 -0.12 0.00 -0.42 0.00 0.00 57.16 57.50 3li6 n GLU 3 Cb 0.00 -4.84 -0.07 0.00 -0.57 0.00 0.00 31.44 25.96 3li6 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3li6 h ALA 4 N 0.02 0.11 -0.44 0.62 0.00 -2.06 -0.74 119.26 116.78 3li6 h ALA 4 Ca -0.23 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3li6 h ALA 4 Cb 0.74 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3li6 h ALA 4 CO 0.33 -0.27 0.27 1.25 0.00 0.00 0.00 179.25 180.83 3li6 h LEU 5 N -0.06 0.44 -0.67 0.00 5.85 -1.99 -1.57 115.31 117.30 3li6 h LEU 5 Ca 0.03 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3li6 h LEU 5 Cb 0.23 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3li6 h LEU 5 CO -0.00 0.32 0.39 0.15 -0.34 0.00 0.00 178.44 178.95 3li6 h PHE 6 N 0.54 0.71 -0.29 1.25 3.04 -1.90 -0.66 116.94 119.63 3li6 h PHE 6 Ca 0.17 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 3li6 h PHE 6 Cb -0.01 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 3li6 h PHE 6 CO -0.06 0.35 0.06 0.87 -2.02 0.00 0.00 178.31 177.51 3li6 h LYS 7 N 0.72 0.41 -0.10 1.11 1.57 -0.70 0.34 116.57 119.92 3li6 h LYS 7 Ca 0.29 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 3li6 h LYS 7 Cb 0.15 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.39 3li6 h LYS 7 CO -0.17 0.39 -0.81 1.49 -0.57 0.00 0.00 179.45 179.79 3li6 h GLU 8 N 0.41 0.63 -0.06 3.15 4.81 -0.17 -2.96 114.58 120.40 3li6 h GLU 8 Ca 0.10 -0.55 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 3li6 h GLU 8 Cb 0.18 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3li6 h GLU 8 CO -0.00 1.16 -0.79 0.82 -0.73 0.00 0.00 179.01 179.48 3li6 h ILE 9 N 0.42 1.39 -0.03 2.32 2.04 -1.20 -3.37 117.51 119.08 3li6 h ILE 9 Ca -0.06 -2.24 -0.68 0.00 1.00 0.00 0.00 64.86 62.89 3li6 h ILE 9 Cb 1.42 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.71 3li6 h ILE 9 CO 0.16 0.67 2.69 -0.67 0.00 0.00 0.00 178.15 181.00 3li6 n ASP 10 N -3.80 3.27 -0.13 1.72 2.03 0.10 -4.76 116.55 114.99 3li6 n ASP 10 Ca -0.05 -2.77 0.08 0.00 0.52 0.00 0.00 54.79 52.57 3li6 n ASP 10 Cb 0.74 -1.42 0.40 0.00 -0.72 0.00 0.00 41.12 40.13 3li6 n ASP 10 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3li6 h VAL 11 N 4.30 1.00 -0.01 5.18 2.07 -1.74 -1.62 116.25 125.43 3li6 h VAL 11 Ca 0.49 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3li6 h VAL 11 Cb 0.67 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3li6 h VAL 11 CO 1.90 0.12 -0.21 -0.46 0.02 0.00 0.00 177.57 178.94 3li6 n ASN 12 N -4.48 1.33 -1.46 0.57 0.23 -1.26 -4.98 115.26 105.21 3li6 n ASN 12 Ca 0.09 -1.15 -0.14 0.00 -0.53 0.00 0.00 54.58 52.85 3li6 n ASN 12 Cb 0.24 0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 38.05 3li6 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3li6 n GLY 13 N 1.31 0.38 0.31 4.83 0.00 -0.61 -4.89 105.19 106.51 3li6 n GLY 13 Ca 0.14 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3li6 n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3li6 n ASP 14 N -0.62 0.96 0.00 1.61 5.75 -1.26 -4.91 116.55 118.08 3li6 n ASP 14 Ca -0.16 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3li6 n ASP 14 Cb 0.58 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3li6 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3li6 n GLY 15 N 1.11 0.70 3.05 6.12 0.00 -1.26 -5.03 105.19 109.88 3li6 n GLY 15 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 3li6 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3li6 s ALA 16 N -2.30 0.81 -0.27 4.61 0.00 -1.26 -5.13 121.76 118.22 3li6 s ALA 16 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 3li6 s ALA 16 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 3li6 s ALA 16 CO 0.00 0.16 0.17 0.08 0.00 0.00 0.00 175.76 176.17 3li6 s VAL 17 N -0.53 5.18 0.58 0.00 1.01 -1.26 -4.84 120.40 120.54 3li6 s VAL 17 Ca 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 3li6 s VAL 17 Cb -0.05 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3li6 s VAL 17 CO 0.00 0.26 0.84 -0.94 0.00 0.00 0.00 175.10 175.27 3li6 s SER 18 N 1.72 5.28 0.24 3.32 1.04 -1.26 -4.97 113.70 119.07 3li6 s SER 18 Ca 0.07 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.71 3li6 s SER 18 Cb -0.16 -1.16 0.30 0.00 0.10 0.00 0.00 66.02 65.10 3li6 s SER 18 CO 0.10 -1.19 1.87 0.22 0.98 0.00 0.00 173.24 175.22 3li6 h TYR 19 N -0.10 1.03 -0.89 5.02 3.20 -1.99 -2.10 116.97 121.14 3li6 h TYR 19 Ca -0.44 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.53 3li6 h TYR 19 Cb 1.29 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.15 3li6 h TYR 19 CO 0.39 0.56 0.55 0.93 -1.64 0.00 0.00 178.16 178.95 3li6 h GLU 20 N 1.05 0.95 0.02 1.82 4.39 -1.99 -0.78 114.58 120.03 3li6 h GLU 20 Ca 0.36 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.79 3li6 h GLU 20 Cb 0.08 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3li6 h GLU 20 CO -0.14 0.63 -0.96 0.93 -1.16 0.00 0.00 179.01 178.31 3li6 h GLU 21 N 0.98 0.30 0.13 2.33 5.08 -1.78 -0.64 114.58 120.97 3li6 h GLU 21 Ca 0.40 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3li6 h GLU 21 Cb 0.23 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3li6 h GLU 21 CO -0.19 1.06 -0.06 0.28 -1.00 0.00 0.00 179.01 179.10 3li6 h VAL 22 N 0.16 0.89 -0.66 3.13 2.07 -1.12 -0.35 116.25 120.36 3li6 h VAL 22 Ca -0.07 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.50 3li6 h VAL 22 Cb 1.60 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 3li6 h VAL 22 CO 0.16 0.01 0.31 0.50 0.02 0.00 0.00 177.57 178.57 3li6 h LYS 23 N -0.19 0.52 -0.10 1.57 3.64 -0.72 -1.47 116.57 119.84 3li6 h LYS 23 Ca -0.02 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3li6 h LYS 23 Cb 0.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3li6 h LYS 23 CO 0.03 0.35 -0.56 0.00 -2.27 0.00 0.00 179.45 177.00 3li6 h ALA 24 N 1.41 0.87 -0.34 5.00 0.00 -1.00 -2.23 119.26 122.97 3li6 h ALA 24 Ca 0.32 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3li6 h ALA 24 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3li6 h ALA 24 CO -0.27 0.70 -0.15 0.35 0.00 0.00 0.00 179.25 179.88 3li6 h PHE 25 N 0.22 0.82 -0.13 0.00 3.04 -0.24 -1.16 116.94 119.49 3li6 h PHE 25 Ca 0.00 -0.20 -0.12 0.00 3.98 0.00 0.00 57.97 61.63 3li6 h PHE 25 Cb 1.05 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 3li6 h PHE 25 CO 0.02 0.91 -0.45 0.28 -2.02 0.00 0.00 178.31 177.05 3li6 h VAL 26 N 0.49 1.32 0.18 1.41 2.07 -1.14 0.89 116.25 121.47 3li6 h VAL 26 Ca 0.08 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3li6 h VAL 26 Cb 0.69 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3li6 h VAL 26 CO 0.05 0.49 -0.09 0.28 0.02 0.00 0.00 177.57 178.33 3li6 h SER 27 N 0.26 -0.20 -0.38 0.57 0.02 -1.32 -0.93 113.55 111.58 3li6 h SER 27 Ca 0.02 -0.10 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3li6 h SER 27 Cb 0.91 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 3li6 h SER 27 CO 0.07 -0.03 -0.13 0.50 -1.14 0.00 0.00 176.83 176.11 3li6 h LYS 28 N -0.38 -0.05 -0.42 3.45 3.64 -0.63 -1.55 116.57 120.64 3li6 h LYS 28 Ca -0.02 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3li6 h LYS 28 Cb 0.29 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3li6 h LYS 28 CO 0.04 -0.03 0.26 0.87 -2.27 0.00 0.00 179.45 178.32 3li6 h LYS 29 N -0.05 0.51 -0.36 1.90 1.57 -0.77 -1.97 116.57 117.40 3li6 h LYS 29 Ca 0.18 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 3li6 h LYS 29 Cb 0.33 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 3li6 h LYS 29 CO -0.41 0.34 -0.09 0.00 -0.57 0.00 0.00 179.45 178.72 3li6 h ARG 30 N 0.53 0.00 -0.33 3.15 3.08 -0.46 -1.97 114.38 118.38 3li6 h ARG 30 Ca 0.16 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3li6 h ARG 30 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3li6 h ARG 30 CO -0.06 0.00 0.14 0.00 -1.07 0.00 0.00 179.97 178.98 3li6 h ALA 31 N 1.36 1.64 -0.04 0.04 0.00 -0.95 -1.93 119.26 119.37 3li6 h ALA 31 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3li6 h ALA 31 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3li6 h ALA 31 CO -0.37 0.29 -0.12 0.82 0.00 0.00 0.00 179.25 179.87 3li6 h ILE 32 N 0.46 1.45 -1.00 0.00 2.04 -0.72 0.44 117.51 120.17 3li6 h ILE 32 Ca 0.12 -1.52 0.13 0.00 1.00 0.00 0.00 64.86 64.59 3li6 h ILE 32 Cb 0.07 2.35 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 3li6 h ILE 32 CO -0.01 0.42 0.63 0.50 0.00 0.00 0.00 178.15 179.68 3li6 h LYS 33 N -0.39 0.94 -0.04 2.37 3.64 -1.26 0.57 116.57 122.41 3li6 h LYS 33 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3li6 h LYS 33 Cb 0.74 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3li6 h LYS 33 CO 0.03 0.62 0.02 -0.91 -2.27 0.00 0.00 179.45 176.94 3li6 h ASN 34 N 0.97 0.05 -0.76 4.20 4.21 -1.24 -0.19 115.58 122.82 3li6 h ASN 34 Ca 0.51 -0.05 0.17 0.00 1.21 0.00 0.00 56.30 58.14 3li6 h ASN 34 Cb 0.54 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.68 3li6 h ASN 34 CO -0.28 0.08 0.52 -0.33 -1.29 0.00 0.00 177.43 176.13 3li6 h GLU 35 N 0.01 0.29 0.02 0.81 4.39 0.09 -1.92 114.58 118.26 3li6 h GLU 35 Ca 0.01 -0.02 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 3li6 h GLU 35 Cb 0.04 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 3li6 h GLU 35 CO -0.00 0.19 -1.85 1.04 -1.16 0.00 0.00 179.01 177.23 3li6 n GLN 36 N -4.44 0.66 0.26 2.33 6.02 0.10 -2.02 117.38 120.27 3li6 n GLN 36 Ca 0.15 0.25 -0.15 0.00 -0.01 0.00 0.00 57.00 57.24 3li6 n GLN 36 Cb 0.62 -1.74 -0.08 0.00 1.02 0.00 0.00 30.24 30.06 3li6 n GLN 36 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3li6 h LEU 37 N 0.01 -0.56 -1.14 1.08 5.85 -0.87 -2.68 115.31 117.01 3li6 h LEU 37 Ca -0.34 -0.06 0.21 0.00 0.84 0.00 0.00 57.88 58.53 3li6 h LEU 37 Cb 2.04 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 43.12 3li6 h LEU 37 CO 0.07 -0.25 0.62 0.25 -0.34 0.00 0.00 178.44 178.79 3li6 h LEU 38 N -0.86 0.66 -0.58 2.25 6.46 -1.48 -0.03 115.31 121.72 3li6 h LEU 38 Ca -0.07 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 3li6 h LEU 38 Cb 0.58 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 3li6 h LEU 38 CO 0.11 0.20 -0.36 -0.61 -0.62 0.00 0.00 178.44 177.16 3li6 h GLN 39 N 0.62 0.00 0.09 1.25 5.75 -1.41 0.86 115.11 122.27 3li6 h GLN 39 Ca 0.58 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.94 3li6 h GLN 39 Cb 1.09 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.65 3li6 h GLN 39 CO -0.35 0.36 -0.65 1.25 -2.65 0.00 0.00 178.83 176.79 3li6 h LEU 40 N 0.00 0.29 -0.03 -2.39 5.85 -0.73 -0.62 115.31 117.69 3li6 h LEU 40 Ca -0.00 -0.94 0.03 0.00 0.84 0.00 0.00 57.88 57.81 3li6 h LEU 40 Cb 1.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3li6 h LEU 40 CO 0.05 1.30 -0.14 0.40 -0.34 0.00 0.00 178.44 179.71 3li6 h ILE 41 N -0.59 0.64 -0.99 4.05 2.04 -1.07 -1.40 117.51 120.19 3li6 h ILE 41 Ca -0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3li6 h ILE 41 Cb 1.44 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 3li6 h ILE 41 CO 0.08 0.00 0.64 0.15 0.00 0.00 0.00 178.15 179.01 3li6 h PHE 42 N -0.22 1.17 -0.94 1.37 3.57 -0.89 -0.50 116.94 120.51 3li6 h PHE 42 Ca 0.06 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.69 3li6 h PHE 42 Cb 0.30 -0.38 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 3li6 h PHE 42 CO -0.21 0.58 0.60 -0.22 -2.23 0.00 0.00 178.31 176.83 3li6 h LYS 43 N 1.12 0.94 0.06 1.11 3.64 -0.60 -1.00 116.57 121.85 3li6 h LYS 43 Ca 0.44 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.51 3li6 h LYS 43 Cb 0.23 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3li6 h LYS 43 CO -0.19 0.62 -1.09 1.03 -2.27 0.00 0.00 179.45 177.54 3li6 h SER 44 N 0.97 0.56 0.77 4.20 0.87 -0.02 -3.17 113.55 117.74 3li6 h SER 44 Ca 0.44 -0.51 -0.17 0.00 -1.23 0.00 0.00 61.79 60.31 3li6 h SER 44 Cb 0.38 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3li6 h SER 44 CO -0.20 1.34 -0.82 0.40 -0.53 0.00 0.00 176.83 177.02 3li6 h ILE 45 N 0.19 1.57 0.00 2.23 2.04 -1.22 -3.36 117.51 118.95 3li6 h ILE 45 Ca -0.12 -2.75 -0.64 0.00 1.00 0.00 0.00 64.86 62.35 3li6 h ILE 45 Cb 1.76 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 40.34 3li6 h ILE 45 CO 0.19 0.79 2.92 -0.67 0.00 0.00 0.00 178.15 181.37 3li6 n ASP 46 N -3.59 4.32 -0.05 1.72 2.03 -0.40 -4.76 116.55 115.82 3li6 n ASP 46 Ca -0.01 -2.68 -0.09 0.00 0.52 0.00 0.00 54.79 52.53 3li6 n ASP 46 Cb 0.78 -1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.75 3li6 n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3li6 h ALA 47 N 6.48 -0.27 0.00 -1.67 0.00 -1.79 0.72 119.26 122.73 3li6 h ALA 47 Ca 0.56 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3li6 h ALA 47 Cb 0.53 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3li6 h ALA 47 CO 1.84 -0.76 0.00 -0.40 0.00 0.00 0.00 179.25 179.93 3li6 n ASP 48 N -5.41 0.00 -4.26 0.00 5.75 -1.26 -4.86 116.55 106.51 3li6 n ASP 48 Ca -0.01 -1.26 -0.37 0.00 -0.01 0.00 0.00 54.79 53.14 3li6 n ASP 48 Cb 0.33 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.35 3li6 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3li6 n GLY 49 N 0.31 -0.42 0.98 6.12 0.00 0.25 -4.83 105.19 107.60 3li6 n GLY 49 Ca 0.05 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3li6 n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3li6 n ASN 50 N -2.37 2.90 0.00 1.61 6.94 -1.26 -4.96 115.26 118.12 3li6 n ASN 50 Ca 0.10 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 3li6 n ASN 50 Cb 0.46 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 3li6 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3li6 n GLY 51 N 1.39 0.65 3.25 4.83 0.00 -1.26 -5.03 105.19 109.01 3li6 n GLY 51 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 3li6 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3li6 s GLU 52 N -0.85 1.05 -0.27 1.61 0.41 -1.26 -5.14 118.70 114.25 3li6 s GLU 52 Ca 0.00 -1.35 -0.08 0.00 -0.41 0.00 0.00 54.97 53.13 3li6 s GLU 52 Cb 0.00 -0.78 -0.02 0.00 -1.78 0.00 0.00 34.13 31.56 3li6 s GLU 52 CO 0.00 0.13 0.10 0.42 -0.49 0.00 0.00 175.26 175.41 3li6 s ILE 53 N -2.71 4.36 0.67 -1.63 1.01 -1.26 -4.86 121.20 116.77 3li6 s ILE 53 Ca 0.13 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.49 3li6 s ILE 53 Cb -0.01 -3.12 0.11 0.00 0.01 0.00 0.00 42.46 39.45 3li6 s ILE 53 CO 0.02 0.23 0.92 1.51 0.00 0.00 0.00 174.94 177.62 3li6 s ASP 54 N 1.60 4.62 0.45 3.58 1.47 -1.26 -4.85 116.67 122.27 3li6 s ASP 54 Ca 0.05 -0.42 0.14 0.00 1.18 0.00 0.00 52.55 53.50 3li6 s ASP 54 Cb -0.16 -0.06 1.00 0.00 -0.34 0.00 0.00 42.92 43.36 3li6 s ASP 54 CO 0.04 -1.66 2.00 1.56 0.68 0.00 0.00 175.17 177.79 3li6 h GLN 55 N -0.30 0.06 -0.19 2.11 4.20 -1.99 0.39 115.11 119.39 3li6 h GLN 55 Ca -0.36 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 3li6 h GLN 55 Cb 1.27 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 3li6 h GLN 55 CO 0.42 0.19 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.75 3li6 h ASN 56 N 0.06 0.42 -0.54 1.46 2.35 -1.99 0.28 115.58 117.62 3li6 h ASN 56 Ca 0.01 -0.42 -0.09 0.00 -0.55 0.00 0.00 56.30 55.24 3li6 h ASN 56 Cb 0.27 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3li6 h ASN 56 CO 0.02 0.75 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.19 3li6 h GLU 57 N 0.09 0.98 -0.56 0.81 5.08 -1.81 -1.57 114.58 117.59 3li6 h GLU 57 Ca 0.04 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3li6 h GLU 57 Cb 0.60 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3li6 h GLU 57 CO 0.03 0.99 0.29 0.35 -1.00 0.00 0.00 179.01 179.68 3li6 h PHE 58 N 0.85 0.79 -0.34 4.33 3.57 -0.89 -2.41 116.94 122.84 3li6 h PHE 58 Ca 0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3li6 h PHE 58 Cb 0.57 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3li6 h PHE 58 CO 0.04 0.59 0.17 0.00 -2.23 0.00 0.00 178.31 176.88 3li6 h ALA 59 N 1.12 0.44 -0.81 2.41 0.00 -0.83 0.45 119.26 122.04 3li6 h ALA 59 Ca 0.20 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3li6 h ALA 59 Cb 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3li6 h ALA 59 CO -0.03 -0.01 0.53 -0.22 0.00 0.00 0.00 179.25 179.52 3li6 h LYS 60 N 0.42 0.64 0.04 0.00 3.64 -1.19 -0.53 116.57 119.59 3li6 h LYS 60 Ca 0.12 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3li6 h LYS 60 Cb 0.11 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3li6 h LYS 60 CO -0.02 0.42 -0.02 0.35 -2.27 0.00 0.00 179.45 177.91 3li6 h PHE 61 N 0.66 -0.05 -0.85 1.91 3.57 -0.73 -3.33 116.94 118.10 3li6 h PHE 61 Ca 0.39 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.01 3li6 h PHE 61 Cb 0.59 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 3li6 h PHE 61 CO -0.00 0.18 0.55 -0.92 -2.23 0.00 0.00 178.31 175.89 3li6 h TYR 62 N -1.00 0.78 0.00 0.41 3.20 -0.13 -0.24 116.97 119.98 3li6 h TYR 62 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3li6 h TYR 62 Cb 0.26 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3li6 h TYR 62 CO 0.06 0.31 0.00 0.41 -1.64 0.00 0.00 178.16 177.30 3li6 n GLY 63 N -1.44 -0.55 2.61 1.82 0.00 -0.21 -3.09 105.19 104.32 3li6 n GLY 63 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3li6 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3li6 n SER 64 N -0.45 4.23 0.00 1.61 7.64 -0.10 -5.03 113.62 121.52 3li6 n SER 64 Ca 0.00 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.28 3li6 n SER 64 Cb 0.01 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 3li6 n SER 64 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65