#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iba h ALA 16 N 0.00 2.41 0.15 3.04 0.00 -1.96 0.77 119.26 123.66 1iba h ALA 16 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1iba h ALA 16 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1iba h ALA 16 CO 0.00 -0.64 -1.70 -1.00 0.00 0.00 0.00 179.25 175.91 1iba h PRO 17 N 0.00 0.31 -0.45 0.00 0.13 -1.92 0.41 132.00 130.49 1iba h PRO 17 Ca 0.24 -0.54 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1iba h PRO 17 Cb 1.00 0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1iba h PRO 17 CO -0.00 1.26 -0.09 0.00 -0.23 0.00 0.00 178.00 178.93 1iba h ALA 18 N 0.04 1.00 0.47 -0.56 0.00 -1.90 -1.67 119.26 116.63 1iba h ALA 18 Ca -0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1iba h ALA 18 Cb 1.97 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1iba h ALA 18 CO 0.11 0.60 -0.22 1.25 0.00 0.00 0.00 179.25 180.99 1iba h LEU 19 N 0.72 -0.53 -1.42 0.00 7.12 0.50 -0.84 115.31 120.86 1iba h LEU 19 Ca 0.13 -0.02 0.29 0.00 0.13 0.00 0.00 57.88 58.41 1iba h LEU 19 Cb 0.57 0.14 -0.09 0.00 -0.53 0.00 0.00 40.66 40.74 1iba h LEU 19 CO 0.04 -0.11 0.70 1.62 -0.13 0.00 0.00 178.44 180.56 1iba h VAL 20 N -1.14 0.47 -0.61 1.05 3.04 -0.98 0.64 116.25 118.71 1iba h VAL 20 Ca -0.06 -0.11 -0.06 0.00 -1.01 0.00 0.00 66.70 65.45 1iba h VAL 20 Cb 0.51 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.88 1iba h VAL 20 CO 0.11 0.06 0.13 0.00 -1.01 0.00 0.00 177.57 176.85 1iba h ALA 21 N 1.60 1.08 -0.08 3.17 0.00 -0.87 -0.01 119.26 124.14 1iba h ALA 21 Ca 0.62 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1iba h ALA 21 Cb 1.70 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1iba h ALA 21 CO -0.29 0.61 0.38 0.00 0.00 0.00 0.00 179.25 179.95 1iba h ALA 22 N 1.22 1.52 0.00 0.00 0.00 0.18 -0.93 119.26 121.25 1iba h ALA 22 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1iba h ALA 22 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1iba h ALA 22 CO 0.00 -0.43 -0.14 0.34 0.00 0.00 0.00 179.25 179.03 1iba n PHE 23 N -3.04 -1.05 0.25 0.00 -0.00 -1.12 -4.66 117.46 107.85 1iba n PHE 23 Ca -0.00 0.19 0.12 0.00 -0.00 0.00 0.00 57.45 57.76 1iba n PHE 23 Cb 0.45 0.37 0.67 0.00 -0.00 0.00 0.00 39.48 40.98 1iba n PHE 23 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1iba h GLY 24 N 0.00 0.00 -2.03 7.13 0.00 -1.16 -1.82 103.07 105.20 1iba h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iba h GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1iba n GLY 25 N -0.46 1.58 3.11 4.60 0.00 -0.37 -4.50 105.19 109.15 1iba n GLY 25 Ca -0.01 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1iba n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iba n LYS 26 N 0.96 3.35 -0.02 1.61 4.76 -0.68 -4.78 118.16 123.36 1iba n LYS 26 Ca 0.18 -3.41 0.20 0.00 -2.87 0.00 0.00 58.31 52.41 1iba n LYS 26 Cb 0.50 -3.11 0.68 0.00 -1.84 0.00 0.00 35.03 31.26 1iba n LYS 26 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1iba h GLU 27 N 6.44 0.03 0.00 1.97 4.11 -1.84 0.12 114.58 125.41 1iba h GLU 27 Ca 0.41 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1iba h GLU 27 Cb 0.73 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1iba h GLU 27 CO 1.54 0.02 0.49 -0.97 0.07 0.00 0.00 179.01 180.16 1iba h ASN 28 N 0.03 0.00 -1.59 3.06 -0.73 -1.96 -3.45 115.58 110.94 1iba h ASN 28 Ca 0.26 0.00 -0.47 0.00 1.87 0.00 0.00 56.30 57.96 1iba h ASN 28 Cb 1.02 0.00 0.15 0.00 0.27 0.00 0.00 38.32 39.76 1iba h ASN 28 CO -0.01 0.00 -0.95 -0.38 -0.37 0.00 0.00 177.43 175.72 1iba n ILE 29 N -2.57 0.00 -0.06 2.57 2.08 0.40 -4.96 119.36 116.82 1iba n ILE 29 Ca -0.01 -0.40 -0.01 0.00 0.56 0.00 0.00 62.75 62.89 1iba n ILE 29 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.40 1iba n ILE 29 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1iba h THR 30 N -0.05 0.04 -3.97 1.39 1.03 -1.88 -3.48 112.91 106.00 1iba h THR 30 Ca -0.33 -1.03 -0.40 0.00 -0.01 0.00 0.00 66.41 64.64 1iba h THR 30 Cb 1.14 0.08 -0.22 0.00 -1.07 0.00 0.00 68.15 68.09 1iba h THR 30 CO 0.32 0.01 -0.78 0.20 -0.01 0.00 0.00 175.52 175.27 1iba s ASN 31 N -5.61 1.57 -0.17 0.00 0.01 -1.10 -5.07 114.94 104.57 1iba s ASN 31 Ca -0.04 -0.57 -0.13 0.00 -0.71 0.00 0.00 52.86 51.42 1iba s ASN 31 Cb 0.00 -0.05 0.05 0.00 0.41 0.00 0.00 41.25 41.66 1iba s ASN 31 CO 0.07 -0.06 0.44 -0.22 -1.51 0.00 0.00 177.10 175.81 1iba s LEU 32 N -1.57 0.10 -0.64 0.60 0.20 -1.26 -1.51 118.68 114.61 1iba s LEU 32 Ca -0.02 0.91 0.06 0.00 0.69 0.00 0.00 54.13 55.77 1iba s LEU 32 Cb -0.09 1.47 0.25 0.00 -0.43 0.00 0.00 46.19 47.39 1iba s LEU 32 CO 0.02 -0.17 0.75 0.47 -0.29 0.00 0.00 176.35 177.13 1iba n ASP 33 N 3.49 3.78 -4.75 3.68 9.92 -1.18 -4.91 116.55 126.58 1iba n ASP 33 Ca -0.18 -3.45 -0.38 0.00 -0.53 0.00 0.00 54.79 50.25 1iba n ASP 33 Cb 0.56 -0.67 0.03 0.00 -0.64 0.00 0.00 41.12 40.41 1iba n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iba s ALA 34 N -2.50 2.82 0.20 2.24 0.00 -1.26 -3.35 121.76 119.90 1iba s ALA 34 Ca 0.40 1.26 -0.23 0.00 0.00 0.00 0.00 51.96 53.40 1iba s ALA 34 Cb 0.15 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.79 1iba s ALA 34 CO -0.01 -1.28 0.93 0.00 0.00 0.00 0.00 175.76 175.40 1iba n ILE 36 N -0.52 -0.07 -2.49 0.00 -0.00 -1.26 -2.03 119.36 113.00 1iba n ILE 36 Ca -0.05 0.99 -0.12 0.00 -0.00 0.00 0.00 62.75 63.57 1iba n ILE 36 Cb 0.60 -1.30 0.03 0.00 -0.00 0.00 0.00 39.64 38.97 1iba n ILE 36 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iba n THR 37 N -2.95 1.80 -3.66 7.28 -2.24 -1.26 -5.02 114.28 108.22 1iba n THR 37 Ca 0.00 -3.58 -0.08 0.00 -2.27 0.00 0.00 64.05 58.12 1iba n THR 37 Cb 0.03 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1iba n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iba s ARG 38 N -3.64 0.37 0.54 -0.78 3.00 -0.86 -2.98 118.95 114.60 1iba s ARG 38 Ca 0.38 1.05 0.02 0.00 0.00 0.00 0.00 55.73 57.18 1iba s ARG 38 Cb 0.37 0.34 0.02 0.00 0.00 0.00 0.00 34.95 35.68 1iba s ARG 38 CO -0.01 -0.23 0.13 1.47 0.00 0.00 0.00 175.30 176.66 1iba n LEU 39 N 5.22 0.00 -3.70 2.53 -0.00 0.19 0.62 117.00 121.87 1iba n LEU 39 Ca -0.11 -3.20 -0.10 0.00 -0.00 0.00 0.00 56.01 52.60 1iba n LEU 39 Cb 0.50 0.24 -0.05 0.00 -0.00 0.00 0.00 43.42 44.11 1iba n LEU 39 CO 0.01 -0.51 0.13 -0.13 -0.00 0.00 0.00 177.39 176.89 1iba s ARG 40 N -4.04 1.09 -0.42 1.47 0.52 -1.21 -0.60 118.95 115.77 1iba s ARG 40 Ca 0.10 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 1iba s ARG 40 Cb -0.01 0.45 0.23 0.00 0.52 0.00 0.00 34.95 36.15 1iba s ARG 40 CO 0.06 -0.42 0.56 0.28 0.02 0.00 0.00 175.30 175.80 1iba n VAL 41 N -0.22 -0.65 -2.16 3.52 0.31 0.12 -3.11 118.33 116.14 1iba n VAL 41 Ca -0.14 -3.30 -0.43 0.00 -0.01 0.00 0.00 64.34 60.45 1iba n VAL 41 Cb 0.63 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 1iba n VAL 41 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iba s SER 42 N -0.90 6.15 0.16 4.52 0.15 -0.57 -4.05 113.70 119.17 1iba s SER 42 Ca 0.34 1.16 -0.10 0.00 0.70 0.00 0.00 55.95 58.05 1iba s SER 42 Cb 0.14 -2.53 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1iba s SER 42 CO -0.15 -1.52 0.32 0.68 1.20 0.00 0.00 173.24 173.77 1iba s VAL 43 N 6.01 0.06 0.08 4.45 -7.23 -1.26 -2.71 120.40 119.80 1iba s VAL 43 Ca 0.71 -1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 59.48 1iba s VAL 43 Cb -0.19 -1.77 -0.25 0.00 0.56 0.00 0.00 36.38 34.72 1iba s VAL 43 CO 0.32 -0.29 1.17 0.00 -0.31 0.00 0.00 175.10 175.99 1iba h ALA 44 N 2.50 0.11 -2.06 1.32 0.00 -1.93 -3.42 119.26 115.78 1iba h ALA 44 Ca -0.31 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1iba h ALA 44 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1iba h ALA 44 CO 0.47 0.73 0.00 -3.47 0.00 0.00 0.00 179.25 176.98 1iba n ASP 45 N -3.78 0.00 -0.39 0.00 2.03 -1.26 -4.63 116.55 108.52 1iba n ASP 45 Ca -0.11 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.18 1iba n ASP 45 Cb 0.93 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.33 1iba n ASP 45 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1iba n VAL 46 N 0.00 0.00 -0.17 5.18 0.24 -1.26 -4.68 118.33 117.64 1iba n VAL 46 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1iba n VAL 46 Cb 0.00 -0.23 0.13 0.00 -1.47 0.00 0.00 33.84 32.27 1iba n VAL 46 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1iba n SER 47 N 1.71 2.79 0.00 -1.34 2.88 -1.26 -4.85 113.62 113.55 1iba n SER 47 Ca -0.01 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1iba n SER 47 Cb 0.10 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1iba n SER 47 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iba n LYS 48 N 0.30 0.00 -0.72 -1.46 0.00 -1.26 -5.13 118.16 109.89 1iba n LYS 48 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.15 1iba n LYS 48 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.41 1iba n LYS 48 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1iba n VAL 49 N -1.81 0.65 -1.82 0.58 3.14 -1.26 -4.72 118.33 113.10 1iba n VAL 49 Ca 0.00 -0.16 -0.41 0.00 -2.96 0.00 0.00 64.34 60.81 1iba n VAL 49 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 1iba n VAL 49 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1iba n ASP 50 N 0.91 6.69 -0.19 6.55 -0.08 -1.26 -4.66 116.55 124.51 1iba n ASP 50 Ca 0.09 -2.91 -0.09 0.00 -1.51 0.00 0.00 54.79 50.38 1iba n ASP 50 Cb 0.10 -1.51 0.01 0.00 2.34 0.00 0.00 41.12 42.06 1iba n ASP 50 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1iba h GLN 51 N 5.28 0.87 -1.27 -0.67 4.20 -1.96 0.99 115.11 122.55 1iba h GLN 51 Ca 0.66 -0.23 0.37 0.00 0.06 0.00 0.00 58.65 59.51 1iba h GLN 51 Cb 0.44 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.04 1iba h GLN 51 CO 1.69 0.85 0.88 0.00 -0.67 0.00 0.00 178.83 181.57 1iba h ALA 52 N 0.99 2.91 0.15 3.87 0.00 -1.98 0.53 119.26 125.73 1iba h ALA 52 Ca 0.16 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.73 1iba h ALA 52 Cb 0.39 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1iba h ALA 52 CO 0.01 -1.35 -1.83 0.78 0.00 0.00 0.00 179.25 176.86 1iba h GLY 53 N 0.12 0.37 2.00 0.00 0.00 -1.61 -3.37 103.07 100.57 1iba h GLY 53 Ca 0.67 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1iba h GLY 53 CO -0.16 0.83 0.00 -2.00 0.00 0.00 0.00 176.54 175.20 1iba h LEU 54 N 0.04 0.00 -0.09 3.11 6.46 0.21 0.18 115.31 125.21 1iba h LEU 54 Ca -0.38 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.31 1iba h LEU 54 Cb 2.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1iba h LEU 54 CO 0.12 0.00 -0.24 0.07 -0.62 0.00 0.00 178.44 177.78 1iba h LYS 55 N 0.00 0.32 0.06 1.25 5.09 -0.34 1.25 116.57 124.20 1iba h LYS 55 Ca 0.00 -0.22 -0.32 0.00 0.09 0.00 0.00 60.65 60.20 1iba h LYS 55 Cb 0.28 0.03 -0.03 0.00 0.10 0.00 0.00 32.23 32.62 1iba h LYS 55 CO 0.00 0.83 -1.75 0.36 -2.09 0.00 0.00 179.45 176.81 1iba n LYS 56 N -4.49 0.67 -0.01 0.07 2.85 -1.08 -1.36 118.16 114.80 1iba n LYS 56 Ca -0.08 0.39 -0.09 0.00 -1.05 0.00 0.00 58.31 57.48 1iba n LYS 56 Cb 0.44 -1.71 -0.14 0.00 -0.65 0.00 0.00 35.03 32.98 1iba n LYS 56 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1iba h LEU 57 N -0.43 0.02 0.05 -5.58 7.12 -0.82 -3.39 115.31 112.28 1iba h LEU 57 Ca -0.42 -0.04 -0.36 0.00 0.13 0.00 0.00 57.88 57.19 1iba h LEU 57 Cb 1.71 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 41.79 1iba h LEU 57 CO -0.07 1.04 -2.13 0.61 -0.13 0.00 0.00 178.44 177.76 1iba n GLY 58 N 1.56 -0.65 0.00 3.75 0.00 -0.45 -4.82 105.19 104.58 1iba n GLY 58 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1iba n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iba n ALA 59 N -2.95 0.00 -2.72 4.61 0.00 0.42 -4.96 120.51 114.91 1iba n ALA 59 Ca -0.33 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 1iba n ALA 59 Cb 1.05 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.60 1iba n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iba n ALA 60 N -3.00 -0.21 0.00 0.00 0.00 -0.27 -4.15 120.51 112.88 1iba n ALA 60 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1iba n ALA 60 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1iba n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iba n GLY 61 N 0.02 0.06 3.80 0.00 0.00 0.30 -4.13 105.19 105.24 1iba n GLY 61 Ca 0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1iba n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iba s VAL 62 N 0.00 2.05 -0.06 1.61 -7.23 -1.26 -0.27 120.40 115.24 1iba s VAL 62 Ca 0.00 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1iba s VAL 62 Cb 0.00 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1iba s VAL 62 CO 0.00 0.00 0.16 0.68 -0.31 0.00 0.00 175.10 175.63 1iba s VAL 63 N -2.66 -0.01 -0.14 1.32 -7.23 -0.33 -4.92 120.40 106.43 1iba s VAL 63 Ca 0.36 0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.55 1iba s VAL 63 Cb 0.01 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 1iba s VAL 63 CO 0.21 0.02 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.27 1iba s VAL 64 N 0.37 3.72 -0.39 1.32 1.01 -1.26 -0.89 120.40 124.28 1iba s VAL 64 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1iba s VAL 64 Cb -0.04 -2.61 0.16 0.00 0.00 0.00 0.00 36.38 33.90 1iba s VAL 64 CO -0.02 0.51 0.34 0.00 0.00 0.00 0.00 175.10 175.93 1iba s ALA 65 N 0.21 0.66 -0.14 5.51 0.00 -0.14 -5.01 121.76 122.85 1iba s ALA 65 Ca -0.03 -1.86 -0.11 0.00 0.00 0.00 0.00 51.96 49.96 1iba s ALA 65 Cb -0.14 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 1iba s ALA 65 CO 0.03 -2.07 0.55 0.41 0.00 0.00 0.00 175.76 174.69 1iba n GLY 66 N 3.46 -0.05 0.00 0.00 0.00 -1.26 0.28 105.19 107.61 1iba n GLY 66 Ca 0.20 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1iba n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iba n SER 67 N 1.97 0.00 -3.63 1.61 7.64 -1.26 -5.09 113.62 114.86 1iba n SER 67 Ca 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.00 1iba n SER 67 Cb -0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 1iba n SER 67 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1iba s GLY 68 N -0.71 -0.35 -0.09 0.23 0.00 0.14 -4.68 107.32 101.86 1iba s GLY 68 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 1iba s GLY 68 CO 0.00 0.22 0.20 0.14 0.00 0.00 0.00 173.10 173.66 1iba s VAL 69 N -2.70 -0.08 0.12 1.40 1.01 -1.26 -0.97 120.40 117.92 1iba s VAL 69 Ca 0.11 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1iba s VAL 69 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1iba s VAL 69 CO -0.03 0.08 0.20 -1.58 0.00 0.00 0.00 175.10 173.76 1iba s GLN 70 N 1.37 3.23 -0.31 2.72 0.74 -0.07 -0.71 119.66 126.64 1iba s GLN 70 Ca -0.08 -0.64 -0.02 0.00 0.05 0.00 0.00 55.36 54.67 1iba s GLN 70 Cb -0.11 -2.87 0.12 0.00 1.10 0.00 0.00 33.01 31.24 1iba s GLN 70 CO -0.07 0.54 0.18 0.00 -0.55 0.00 0.00 175.29 175.39 1iba s ALA 71 N -1.64 0.57 0.24 1.58 0.00 0.23 -1.19 121.76 121.55 1iba s ALA 71 Ca 0.33 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.12 1iba s ALA 71 Cb -0.11 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1iba s ALA 71 CO 0.26 -1.82 0.06 0.42 0.00 0.00 0.00 175.76 174.68 1iba s ILE 72 N 1.78 3.84 0.07 0.00 1.09 0.63 0.58 121.20 129.20 1iba s ILE 72 Ca 0.12 -1.62 -0.01 0.00 -1.10 0.00 0.00 60.65 58.04 1iba s ILE 72 Cb -0.18 -3.03 -0.01 0.00 -1.06 0.00 0.00 42.46 38.19 1iba s ILE 72 CO -0.24 -0.30 -0.03 0.49 -0.10 0.00 0.00 174.94 174.77 1iba n PHE 73 N -0.78 0.00 -0.62 3.97 3.72 -1.16 -0.54 117.46 122.06 1iba n PHE 73 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1iba n PHE 73 Cb 0.58 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1iba n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iba n GLY 74 N 3.30 0.36 5.00 1.37 0.00 -1.21 -4.58 105.19 109.43 1iba n GLY 74 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1iba n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iba n THR 75 N -0.41 0.00 0.31 2.61 -1.04 -1.26 -4.29 114.28 110.20 1iba n THR 75 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1iba n THR 75 Cb 0.20 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 68.96 1iba n THR 75 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1iba h LYS 76 N 0.00 0.00 -0.40 -2.82 2.10 -1.99 -0.15 116.57 113.31 1iba h LYS 76 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 1iba h LYS 76 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 1iba h LYS 76 CO 0.00 0.00 -0.19 0.45 -2.00 0.00 0.00 179.45 177.71 1iba n SER 77 N -2.53 -0.34 -0.12 7.07 2.88 -1.26 0.11 113.62 119.44 1iba n SER 77 Ca -0.01 0.70 -0.05 0.00 -1.33 0.00 0.00 58.87 58.19 1iba n SER 77 Cb 0.78 -0.13 0.01 0.00 -0.75 0.00 0.00 64.21 64.12 1iba n SER 77 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1iba h ASP 78 N 0.00 -0.62 -0.61 -3.46 5.19 -1.41 1.17 116.42 116.69 1iba h ASP 78 Ca 0.10 0.15 0.12 0.00 -0.62 0.00 0.00 57.03 56.78 1iba h ASP 78 Cb 0.20 0.35 -0.09 0.00 0.18 0.00 0.00 39.33 39.97 1iba h ASP 78 CO -0.39 -0.21 0.10 -1.13 -3.12 0.00 0.00 179.24 174.49 1iba h ASN 79 N -0.10 -0.06 0.64 6.45 -1.24 -0.56 0.35 115.58 121.06 1iba h ASN 79 Ca 0.20 0.12 -0.03 0.00 0.71 0.00 0.00 56.30 57.30 1iba h ASN 79 Cb 0.41 0.18 0.01 0.00 0.73 0.00 0.00 38.32 39.65 1iba h ASN 79 CO -0.48 -0.02 -0.31 0.25 -1.29 0.00 0.00 177.43 175.58 1iba h LEU 80 N 0.22 -0.73 -1.65 0.34 5.85 -0.24 -2.64 115.31 116.47 1iba h LEU 80 Ca 0.32 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1iba h LEU 80 Cb 0.49 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1iba h LEU 80 CO -0.44 -0.44 0.29 0.50 -0.34 0.00 0.00 178.44 178.02 1iba h LYS 81 N -1.00 0.45 0.02 1.25 3.11 0.23 0.45 116.57 121.07 1iba h LYS 81 Ca -0.09 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1iba h LYS 81 Cb 0.70 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1iba h LYS 81 CO 0.15 0.30 -0.01 1.79 -2.81 0.00 0.00 179.45 178.86 1iba h THR 82 N 0.46 1.30 -0.69 1.00 1.35 -0.36 0.30 112.91 116.27 1iba h THR 82 Ca 0.18 -0.97 0.08 0.00 -0.55 0.00 0.00 66.41 65.14 1iba h THR 82 Cb 0.14 1.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.47 1iba h THR 82 CO -0.04 0.25 0.46 1.05 -0.25 0.00 0.00 175.52 176.98 1iba h GLU 83 N -0.44 0.63 0.27 4.72 4.11 -0.73 -1.96 114.58 121.18 1iba h GLU 83 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1iba h GLU 83 Cb 0.43 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1iba h GLU 83 CO 0.00 0.41 -0.13 0.52 0.07 0.00 0.00 179.01 179.89 1iba h MET 84 N 0.65 -0.36 -0.86 1.06 2.86 0.30 -1.91 114.93 116.68 1iba h MET 84 Ca 0.31 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 58.09 1iba h MET 84 Cb 0.37 0.08 -0.13 0.00 0.06 0.00 0.00 31.60 31.97 1iba h MET 84 CO -0.10 -0.11 -0.45 0.22 1.06 0.00 0.00 176.91 177.53 1iba h ASP 85 N -0.56 -1.63 -0.06 1.22 3.58 0.38 0.77 116.42 120.11 1iba h ASP 85 Ca -0.04 0.29 0.04 0.00 0.42 0.00 0.00 57.03 57.75 1iba h ASP 85 Cb 0.41 0.78 -0.05 0.00 1.72 0.00 0.00 39.33 42.19 1iba h ASP 85 CO 0.06 -0.29 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.53 1iba h GLU 86 N -0.07 -0.36 -0.40 0.28 4.39 -1.50 -1.39 114.58 115.52 1iba h GLU 86 Ca 0.25 0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.05 1iba h GLU 86 Cb 0.54 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 1iba h GLU 86 CO -0.88 -0.24 -0.15 1.88 -1.16 0.00 0.00 179.01 178.46 1iba h TYR 87 N -0.38 -0.34 -0.28 4.33 0.05 0.13 0.88 116.97 121.35 1iba h TYR 87 Ca 0.08 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.87 1iba h TYR 87 Cb 0.49 0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1iba h TYR 87 CO -0.33 -0.23 0.04 0.82 -1.05 0.00 0.00 178.16 177.41 1iba h ILE 88 N -0.06 1.23 -0.33 -2.88 5.03 -0.61 0.19 117.51 120.09 1iba h ILE 88 Ca 0.19 -0.81 0.01 0.00 -0.12 0.00 0.00 64.86 64.14 1iba h ILE 88 Cb 0.36 1.22 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 1iba h ILE 88 CO -0.44 0.26 0.22 0.03 -0.68 0.00 0.00 178.15 177.54 1iba h ARG 89 N 0.29 0.39 0.00 2.37 3.08 -0.67 0.22 114.38 120.06 1iba h ARG 89 Ca 0.09 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1iba h ARG 89 Cb 0.35 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1iba h ARG 89 CO 0.01 0.26 -0.16 -0.97 -1.07 0.00 0.00 179.97 178.03 1iba h ASN 90 N 0.40 0.00 -0.46 7.04 -1.24 0.18 -3.32 115.58 118.17 1iba h ASN 90 Ca 0.13 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.81 1iba h ASN 90 Cb 0.02 0.00 -0.38 0.00 0.73 0.00 0.00 38.32 38.69 1iba h ASN 90 CO -0.03 0.16 -0.95 0.33 -1.29 0.00 0.00 177.43 175.66 1iba n PHE 91 N -3.21 1.57 -0.99 0.67 7.35 0.58 -5.05 117.46 118.37 1iba n PHE 91 Ca 0.02 -1.94 0.00 0.00 -0.76 0.00 0.00 57.45 54.77 1iba n PHE 91 Cb 0.49 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 40.06 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41