#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 -0.93 0.11 0.00 -0.58 -1.26 -4.92 120.64 113.07 3li6 n GLU 3 Ca 0.00 0.92 -0.19 0.00 -0.42 0.00 0.00 57.16 57.47 3li6 n GLU 3 Cb 0.00 -4.99 -0.15 0.00 -0.57 0.00 0.00 31.44 25.73 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 0.08 0.03 -0.66 0.62 0.00 -2.05 -0.78 119.26 116.50 3li6 h ALA 4 Ca -0.27 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 53.70 3li6 h ALA 4 Cb 0.90 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3li6 h ALA 4 CO 0.39 0.90 0.25 1.25 0.00 0.00 0.00 179.25 182.04 3li6 h LEU 5 N 0.10 0.92 -0.84 0.00 5.85 -1.99 -1.94 115.31 117.42 3li6 h LEU 5 Ca -0.18 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3li6 h LEU 5 Cb 2.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 3li6 h LEU 5 CO 0.22 0.85 0.45 0.15 -0.34 0.00 0.00 178.44 179.78 3li6 h PHE 6 N 0.94 1.16 0.00 1.25 3.04 -1.93 -0.35 116.94 121.05 3li6 h PHE 6 Ca 0.22 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.09 3li6 h PHE 6 Cb 0.23 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 3li6 h PHE 6 CO 0.02 0.81 -0.24 0.87 -2.02 0.00 0.00 178.31 177.74 3li6 h LYS 7 N 1.17 0.00 0.01 1.11 1.57 -1.00 -0.63 116.57 118.79 3li6 h LYS 7 Ca 0.29 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.87 3li6 h LYS 7 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3li6 h LYS 7 CO -0.05 0.24 -0.91 1.49 -0.57 0.00 0.00 179.45 179.65 3li6 h GLU 8 N 0.00 0.23 0.17 3.15 4.81 -0.30 -3.26 114.58 119.37 3li6 h GLU 8 Ca -0.00 -0.26 -0.33 0.00 -0.13 0.00 0.00 59.36 58.64 3li6 h GLU 8 Cb 0.56 0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.03 3li6 h GLU 8 CO 0.03 0.99 -1.61 0.82 -0.73 0.00 0.00 179.01 178.51 3li6 h ILE 9 N 0.12 1.09 -0.72 2.32 2.04 -1.04 -3.39 117.51 117.94 3li6 h ILE 9 Ca -0.05 -2.67 -0.55 0.00 1.00 0.00 0.00 64.86 62.58 3li6 h ILE 9 Cb 1.55 2.81 -0.07 0.00 -0.74 0.00 0.00 36.82 40.37 3li6 h ILE 9 CO 0.14 0.84 1.77 -0.62 0.00 0.00 0.00 178.15 180.28 3li6 s ASP 10 N -7.21 6.16 0.24 1.72 2.15 -0.26 -4.74 116.67 114.73 3li6 s ASP 10 Ca -0.12 -2.14 0.07 0.00 0.43 0.00 0.00 52.55 50.79 3li6 s ASP 10 Cb 0.06 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.35 3li6 s ASP 10 CO 0.87 -1.89 1.55 0.58 -0.17 0.00 0.00 175.17 176.12 3li6 h VAL 11 N 5.82 1.43 0.00 1.11 2.07 -1.77 -2.71 116.25 122.19 3li6 h VAL 11 Ca 0.36 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3li6 h VAL 11 Cb 0.90 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3li6 h VAL 11 CO 1.37 0.62 -0.15 -0.46 0.02 0.00 0.00 177.57 178.97 3li6 n ASN 12 N -3.81 0.66 -1.34 0.57 0.23 -1.26 -4.98 115.26 105.33 3li6 n ASN 12 Ca -0.02 0.43 -0.11 0.00 -0.53 0.00 0.00 54.58 54.35 3li6 n ASN 12 Cb 0.64 -0.51 -0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 1.35 -0.07 0.67 4.83 0.00 -1.02 -4.91 105.19 106.05 3li6 n GLY 13 Ca 0.05 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.18 2.04 0.00 1.61 5.75 -1.26 -4.91 116.55 119.60 3li6 n ASP 14 Ca -0.12 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3li6 n ASP 14 Cb 0.59 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 1.22 0.76 3.21 6.12 0.00 -1.26 -5.02 105.19 110.22 3li6 n GLY 15 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.84 1.68 -0.26 4.61 0.00 -1.26 -5.12 121.76 118.56 3li6 s ALA 16 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 3li6 s ALA 16 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3li6 s ALA 16 CO 0.00 0.41 0.22 0.08 0.00 0.00 0.00 175.76 176.47 3li6 s VAL 17 N -0.49 5.30 0.45 0.00 1.01 -1.26 -4.82 120.40 120.59 3li6 s VAL 17 Ca 0.08 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.35 3li6 s VAL 17 Cb -0.08 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3li6 s VAL 17 CO -0.01 0.27 0.65 -0.94 0.00 0.00 0.00 175.10 175.07 3li6 s SER 18 N 1.44 5.68 0.32 3.32 1.04 -1.26 -4.97 113.70 119.27 3li6 s SER 18 Ca 0.09 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.55 3li6 s SER 18 Cb -0.15 -1.18 0.55 0.00 0.10 0.00 0.00 66.02 65.34 3li6 s SER 18 CO 0.08 -0.78 1.96 0.22 0.98 0.00 0.00 173.24 175.70 3li6 h TYR 19 N 0.43 0.95 -0.26 5.02 3.20 -1.99 -1.64 116.97 122.69 3li6 h TYR 19 Ca -0.44 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.34 3li6 h TYR 19 Cb 1.27 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3li6 h TYR 19 CO 0.42 0.56 -0.30 1.49 -1.64 0.00 0.00 178.16 178.69 3li6 h GLU 20 N 0.99 0.52 -0.26 1.82 4.81 -1.99 -1.46 114.58 119.02 3li6 h GLU 20 Ca 0.31 -0.22 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 3li6 h GLU 20 Cb 0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3li6 h GLU 20 CO -0.09 0.77 -0.60 0.93 -0.73 0.00 0.00 179.01 179.29 3li6 h GLU 21 N 0.45 0.84 -0.35 1.92 5.08 -1.75 -0.97 114.58 119.81 3li6 h GLU 21 Ca 0.06 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3li6 h GLU 21 Cb 0.75 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3li6 h GLU 21 CO 0.06 1.19 0.21 0.28 -1.00 0.00 0.00 179.01 179.75 3li6 h VAL 22 N 0.63 1.04 -0.92 3.13 2.07 -1.17 -0.55 116.25 120.47 3li6 h VAL 22 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3li6 h VAL 22 Cb 1.21 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3li6 h VAL 22 CO 0.13 0.08 0.56 0.50 0.02 0.00 0.00 177.57 178.85 3li6 h LYS 23 N 0.42 1.26 -0.02 1.57 3.64 -1.07 -0.83 116.57 121.55 3li6 h LYS 23 Ca 0.14 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 3li6 h LYS 23 Cb 0.00 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3li6 h LYS 23 CO -0.06 0.88 -0.61 0.00 -2.27 0.00 0.00 179.45 177.38 3li6 h ALA 24 N 1.30 0.95 -0.04 5.00 0.00 -0.82 -2.64 119.26 123.02 3li6 h ALA 24 Ca 0.33 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3li6 h ALA 24 Cb -0.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3li6 h ALA 24 CO -0.06 0.76 -0.66 0.35 0.00 0.00 0.00 179.25 179.64 3li6 h PHE 25 N 0.04 0.74 0.00 0.00 3.04 -0.60 -1.38 116.94 118.77 3li6 h PHE 25 Ca -0.01 -0.37 -0.03 0.00 3.98 0.00 0.00 57.97 61.54 3li6 h PHE 25 Cb 1.09 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 3li6 h PHE 25 CO 0.01 1.18 -0.14 0.28 -2.02 0.00 0.00 178.31 177.62 3li6 h VAL 26 N 0.08 1.07 -0.02 1.41 2.07 -1.11 -0.21 116.25 119.55 3li6 h VAL 26 Ca -0.07 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3li6 h VAL 26 Cb 1.34 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3li6 h VAL 26 CO 0.13 0.14 -0.01 0.28 0.02 0.00 0.00 177.57 178.13 3li6 h SER 27 N 0.00 0.05 -0.66 0.57 0.02 -1.37 -1.94 113.55 110.22 3li6 h SER 27 Ca -0.00 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 60.60 3li6 h SER 27 Cb 0.26 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3li6 h SER 27 CO 0.02 0.49 0.44 0.50 -1.14 0.00 0.00 176.83 177.14 3li6 h LYS 28 N -0.39 0.47 -0.10 3.45 3.64 -0.71 -2.31 116.57 120.62 3li6 h LYS 28 Ca 0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3li6 h LYS 28 Cb 0.47 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3li6 h LYS 28 CO 0.00 0.31 -0.31 0.87 -2.27 0.00 0.00 179.45 178.05 3li6 h LYS 29 N 0.48 0.38 -0.64 1.90 1.57 -0.99 -2.57 116.57 116.71 3li6 h LYS 29 Ca 0.31 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3li6 h LYS 29 Cb 0.56 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 3li6 h LYS 29 CO -0.10 0.91 0.37 0.00 -0.57 0.00 0.00 179.45 180.06 3li6 h ARG 30 N -0.07 0.70 -0.01 3.15 3.08 -0.84 -2.14 114.38 118.25 3li6 h ARG 30 Ca -0.01 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3li6 h ARG 30 Cb 0.94 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 3li6 h ARG 30 CO 0.07 0.46 -0.56 0.00 -1.07 0.00 0.00 179.97 178.86 3li6 h ALA 31 N 1.30 1.06 -0.15 0.04 0.00 -1.48 -2.25 119.26 117.78 3li6 h ALA 31 Ca 0.27 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3li6 h ALA 31 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3li6 h ALA 31 CO -0.14 0.70 -0.11 0.82 0.00 0.00 0.00 179.25 180.53 3li6 h ILE 32 N 0.01 1.33 -0.95 0.00 2.04 -1.12 -0.80 117.51 118.02 3li6 h ILE 32 Ca -0.01 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 64.71 3li6 h ILE 32 Cb 1.00 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 3li6 h ILE 32 CO 0.07 0.36 0.60 0.50 0.00 0.00 0.00 178.15 179.68 3li6 h LYS 33 N -0.02 1.02 -0.15 2.37 3.64 -1.35 0.68 116.57 122.77 3li6 h LYS 33 Ca 0.03 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3li6 h LYS 33 Cb 0.61 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3li6 h LYS 33 CO 0.03 0.68 0.02 -0.97 -2.27 0.00 0.00 179.45 176.94 3li6 h ASN 34 N 1.05 0.24 -0.51 4.20 -1.24 -1.34 -1.04 115.58 116.94 3li6 h ASN 34 Ca 0.43 -0.26 0.14 0.00 0.71 0.00 0.00 56.30 57.32 3li6 h ASN 34 Cb 0.25 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3li6 h ASN 34 CO -0.20 0.44 0.36 -0.33 -1.29 0.00 0.00 177.43 176.41 3li6 h GLU 35 N 0.03 0.02 0.15 6.67 4.39 -0.69 -0.51 114.58 124.64 3li6 h GLU 35 Ca 0.05 -0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.40 3li6 h GLU 35 Cb 0.30 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3li6 h GLU 35 CO 0.00 0.01 -1.76 1.96 -1.16 0.00 0.00 179.01 178.07 3li6 h GLN 36 N 0.02 0.33 0.86 2.33 4.20 -0.57 -2.47 115.11 119.80 3li6 h GLN 36 Ca 0.24 -0.56 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 3li6 h GLN 36 Cb 0.94 0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.94 3li6 h GLN 36 CO -0.01 1.27 -0.41 1.25 -0.67 0.00 0.00 178.83 180.26 3li6 h LEU 37 N 0.00 -0.98 -1.41 1.46 5.85 -1.09 -1.62 115.31 117.53 3li6 h LEU 37 Ca -0.36 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.63 3li6 h LEU 37 Cb 2.01 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 43.21 3li6 h LEU 37 CO 0.12 -0.70 0.64 0.25 -0.34 0.00 0.00 178.44 178.42 3li6 h LEU 38 N -1.15 0.45 -0.06 2.25 6.46 -1.24 0.25 115.31 122.27 3li6 h LEU 38 Ca -0.12 0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 3li6 h LEU 38 Cb 0.88 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 3li6 h LEU 38 CO 0.19 0.13 -0.44 -0.61 -0.62 0.00 0.00 178.44 177.09 3li6 h GLN 39 N 0.42 0.00 -0.03 1.25 5.75 -1.29 -1.13 115.11 120.09 3li6 h GLN 39 Ca 0.54 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.94 3li6 h GLN 39 Cb 1.33 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.89 3li6 h GLN 39 CO -0.25 0.44 -0.37 1.25 -2.65 0.00 0.00 178.83 177.26 3li6 h LEU 40 N 0.00 0.38 0.32 -2.39 5.85 -0.02 -1.55 115.31 117.89 3li6 h LEU 40 Ca -0.00 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 3li6 h LEU 40 Cb 1.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3li6 h LEU 40 CO 0.06 1.04 -0.25 0.40 -0.34 0.00 0.00 178.44 179.35 3li6 h ILE 41 N -0.26 0.48 0.36 4.05 2.04 -1.09 -1.36 117.51 121.73 3li6 h ILE 41 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3li6 h ILE 41 Cb 1.07 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3li6 h ILE 41 CO 0.07 0.00 -0.42 0.15 0.00 0.00 0.00 178.15 177.96 3li6 h PHE 42 N -0.57 -1.15 -0.99 1.37 3.57 -1.29 0.16 116.94 118.04 3li6 h PHE 42 Ca -0.02 0.01 0.35 0.00 3.53 0.00 0.00 57.97 61.84 3li6 h PHE 42 Cb 0.50 0.46 -0.16 0.00 2.79 0.00 0.00 35.95 39.53 3li6 h PHE 42 CO -0.13 -0.56 0.50 -0.22 -2.23 0.00 0.00 178.31 175.66 3li6 h LYS 43 N -0.81 0.16 -0.05 1.11 3.64 -1.24 0.19 116.57 119.56 3li6 h LYS 43 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3li6 h LYS 43 Cb 0.74 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3li6 h LYS 43 CO -0.10 0.11 -0.02 1.03 -2.27 0.00 0.00 179.45 178.20 3li6 h SER 44 N 0.17 0.11 -0.04 4.20 0.87 0.44 -2.70 113.55 116.59 3li6 h SER 44 Ca 0.76 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.88 3li6 h SER 44 Cb 1.84 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 3li6 h SER 44 CO -0.70 0.48 -0.10 0.40 -0.53 0.00 0.00 176.83 176.38 3li6 h ILE 45 N -0.25 1.18 0.00 2.23 2.04 0.06 -3.32 117.51 119.44 3li6 h ILE 45 Ca 0.01 -0.76 -0.44 0.00 1.00 0.00 0.00 64.86 64.67 3li6 h ILE 45 Cb 0.43 1.14 0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3li6 h ILE 45 CO 0.01 0.24 2.60 -0.67 0.00 0.00 0.00 178.15 180.33 3li6 n ASP 46 N -4.28 4.56 -0.04 1.72 2.03 0.55 -4.70 116.55 116.38 3li6 n ASP 46 Ca -0.00 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.90 3li6 n ASP 46 Cb 0.26 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 3li6 n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3li6 n ALA 47 N 4.84 2.02 -0.87 -1.67 0.00 -1.25 -0.09 120.51 123.49 3li6 n ALA 47 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3li6 n ALA 47 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3li6 n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3li6 n ASP 48 N -0.44 0.19 -1.73 0.00 5.68 -1.26 -5.04 116.55 113.94 3li6 n ASP 48 Ca 0.00 -1.05 -0.21 0.00 -0.50 0.00 0.00 54.79 53.03 3li6 n ASP 48 Cb 0.01 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.91 3li6 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3li6 n GLY 49 N -0.03 1.60 0.32 6.12 0.00 0.87 -4.84 105.19 109.24 3li6 n GLY 49 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.48 0.86 0.00 1.61 6.94 -1.26 -4.89 115.26 117.04 3li6 n ASN 50 Ca -0.22 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 3li6 n ASN 50 Cb 0.69 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 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 0.55 0.66 3.68 4.83 0.00 -1.26 -5.03 105.19 108.61 3li6 n GLY 51 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3li6 n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3li6 s GLU 52 N -0.72 1.92 -0.23 1.61 4.04 -1.26 -5.14 118.70 118.92 3li6 s GLU 52 Ca 0.00 -1.42 -0.03 0.00 0.04 0.00 0.00 54.97 53.56 3li6 s GLU 52 Cb 0.00 0.54 0.01 0.00 0.02 0.00 0.00 34.13 34.70 3li6 s GLU 52 CO 0.00 -0.85 -0.06 0.42 -1.84 0.00 0.00 175.26 172.93 3li6 s ILE 53 N -3.15 3.09 0.71 1.83 1.01 -1.26 -4.80 121.20 118.64 3li6 s ILE 53 Ca 0.21 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3li6 s ILE 53 Cb -0.03 -2.48 0.13 0.00 0.01 0.00 0.00 42.46 40.09 3li6 s ILE 53 CO 0.13 0.32 0.98 1.51 0.00 0.00 0.00 174.94 177.88 3li6 s ASP 54 N 1.40 4.38 0.26 3.58 1.47 -1.26 -4.84 116.67 121.65 3li6 s ASP 54 Ca 0.03 -0.47 0.01 0.00 1.18 0.00 0.00 52.55 53.30 3li6 s ASP 54 Cb -0.15 0.11 0.34 0.00 -0.34 0.00 0.00 42.92 42.88 3li6 s ASP 54 CO -0.04 -1.85 1.68 1.56 0.68 0.00 0.00 175.17 177.20 3li6 h GLN 55 N -0.47 0.53 0.25 2.11 4.20 -1.99 0.11 115.11 119.86 3li6 h GLN 55 Ca -0.35 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.15 3li6 h GLN 55 Cb 1.27 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 3li6 h GLN 55 CO 0.39 0.76 -0.27 -0.91 -0.67 0.00 0.00 178.83 178.14 3li6 h ASN 56 N 0.46 -0.72 -0.39 1.46 2.35 -1.99 0.24 115.58 116.99 3li6 h ASN 56 Ca 0.06 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3li6 h ASN 56 Cb 0.74 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 3li6 h ASN 56 CO 0.06 -0.38 0.20 -0.33 -1.65 0.00 0.00 177.43 175.33 3li6 h GLU 57 N -0.56 0.40 -0.60 0.81 5.08 -1.85 -1.92 114.58 115.94 3li6 h GLU 57 Ca -0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3li6 h GLU 57 Cb 0.52 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3li6 h GLU 57 CO -0.07 0.27 0.39 0.35 -1.00 0.00 0.00 179.01 178.95 3li6 h PHE 58 N 0.42 0.73 -0.14 4.33 3.57 -0.81 -2.68 116.94 122.36 3li6 h PHE 58 Ca 0.16 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3li6 h PHE 58 Cb 0.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3li6 h PHE 58 CO -0.09 0.44 -0.01 0.00 -2.23 0.00 0.00 178.31 176.42 3li6 h ALA 59 N 1.24 0.11 -0.47 2.41 0.00 -0.11 1.00 119.26 123.44 3li6 h ALA 59 Ca 0.23 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3li6 h ALA 59 Cb -0.04 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3li6 h ALA 59 CO -0.07 -0.46 -0.06 -0.22 0.00 0.00 0.00 179.25 178.44 3li6 h LYS 60 N 0.04 0.05 0.59 0.00 3.64 -1.23 0.13 116.57 119.78 3li6 h LYS 60 Ca 0.06 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3li6 h LYS 60 Cb 0.08 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3li6 h LYS 60 CO -0.11 0.03 -0.28 0.35 -2.27 0.00 0.00 179.45 177.17 3li6 h PHE 61 N 0.05 -0.73 -0.79 1.91 3.57 -1.03 -3.09 116.94 116.83 3li6 h PHE 61 Ca 0.23 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3li6 h PHE 61 Cb 0.35 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 3li6 h PHE 61 CO -0.35 -0.40 0.38 -0.92 -2.23 0.00 0.00 178.31 174.79 3li6 h TYR 62 N -1.05 1.13 0.00 0.41 3.20 -0.74 -2.62 116.97 117.30 3li6 h TYR 62 Ca -0.08 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3li6 h TYR 62 Cb 0.66 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3li6 h TYR 62 CO 0.00 0.82 0.00 0.41 -1.64 0.00 0.00 178.16 177.76 3li6 n GLY 63 N -1.00 -1.02 0.12 1.82 0.00 0.45 -2.28 105.19 103.28 3li6 n GLY 63 Ca 0.07 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3li6 n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3li6 h SER 64 N 0.00 0.59 -2.51 1.61 0.02 -1.37 -3.44 113.55 108.45 3li6 h SER 64 Ca 0.00 -0.65 -0.54 0.00 -0.84 0.00 0.00 61.79 59.77 3li6 h SER 64 Cb 0.18 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3li6 h SER 64 CO 0.00 1.51 1.23 -0.63 -1.14 0.00 0.00 176.83 177.79 3li6 s ILE 65 N -2.63 3.57 0.00 3.27 1.01 -0.97 -5.15 121.20 120.30 3li6 s ILE 65 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3li6 s ILE 65 Cb 0.06 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.45 3li6 s ILE 65 CO 0.91 -0.89 0.00 0.00 0.00 0.00 0.00 174.94 174.96