#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 1.24 0.01 3.17 0.00 -1.95 0.49 119.26 122.22 1iba h ALA 16 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iba h ALA 16 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1iba h ALA 16 CO 0.00 0.18 -0.01 -1.00 0.00 0.00 0.00 179.25 178.43 1iba h PRO 17 N 0.89 -0.02 -0.86 0.00 0.13 -1.89 0.04 132.00 130.29 1iba h PRO 17 Ca 0.41 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.57 1iba h PRO 17 Cb 0.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.40 1iba h PRO 17 CO -0.23 0.51 0.55 0.00 -0.23 0.00 0.00 178.00 178.61 1iba h ALA 18 N 0.41 1.14 0.16 -0.56 0.00 -1.95 0.15 119.26 118.60 1iba h ALA 18 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1iba h ALA 18 Cb 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iba h ALA 18 CO 0.00 0.39 -0.07 1.25 0.00 0.00 0.00 179.25 180.82 1iba h LEU 19 N 1.08 -0.18 -1.70 0.00 7.12 -0.03 -1.74 115.31 119.87 1iba h LEU 19 Ca 0.34 0.01 0.36 0.00 0.13 0.00 0.00 57.88 58.72 1iba h LEU 19 Cb 0.01 0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.10 1iba h LEU 19 CO -0.12 -0.06 0.86 1.62 -0.13 0.00 0.00 178.44 180.61 1iba h VAL 20 N -0.34 0.35 -0.56 1.05 3.04 -0.94 0.87 116.25 119.71 1iba h VAL 20 Ca -0.02 -0.05 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 1iba h VAL 20 Cb 0.16 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 29.62 1iba h VAL 20 CO 0.03 0.02 0.05 0.00 -1.01 0.00 0.00 177.57 176.67 1iba h ALA 21 N 1.47 0.75 -0.23 3.17 0.00 -0.58 0.39 119.26 124.23 1iba h ALA 21 Ca 0.66 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.36 1iba h ALA 21 Cb 2.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1iba h ALA 21 CO -0.17 0.54 0.51 0.00 0.00 0.00 0.00 179.25 180.13 1iba h ALA 22 N 0.98 1.81 0.00 0.00 0.00 0.17 0.11 119.26 122.34 1iba h ALA 22 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iba h ALA 22 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1iba h ALA 22 CO 0.02 -0.63 -0.39 0.34 0.00 0.00 0.00 179.25 178.59 1iba n PHE 23 N -3.17 0.00 0.26 0.00 7.35 -1.18 -4.69 117.46 116.04 1iba n PHE 23 Ca 0.04 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.88 1iba n PHE 23 Cb 0.62 0.28 0.58 0.00 0.35 0.00 0.00 39.48 41.31 1iba n PHE 23 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1iba h GLY 24 N 0.00 0.00 -2.02 7.13 0.00 -1.05 -2.61 103.07 104.52 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 0.22 1.62 2.67 4.60 0.00 0.38 -4.19 105.19 110.48 1iba n GLY 25 Ca 0.01 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 0.69 4.63 0.19 1.61 4.76 -0.98 -4.79 118.16 124.28 1iba n LYS 26 Ca 0.16 -4.16 0.18 0.00 -2.87 0.00 0.00 58.31 51.62 1iba n LYS 26 Cb 0.55 -2.43 0.80 0.00 -1.84 0.00 0.00 35.03 32.11 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 3.95 0.00 0.00 1.97 4.11 -1.82 0.15 114.58 122.94 1iba h GLU 27 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1iba h GLU 27 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1iba h GLU 27 CO 1.26 0.00 0.10 -1.71 0.07 0.00 0.00 179.01 178.73 1iba n ASN 28 N -3.47 0.00 -4.29 3.06 5.15 -1.26 -4.86 115.26 109.59 1iba n ASN 28 Ca 0.03 0.38 -0.37 0.00 -0.60 0.00 0.00 54.58 54.02 1iba n ASN 28 Cb 0.47 -0.38 0.04 0.00 -0.53 0.00 0.00 39.78 39.39 1iba n ASN 28 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1iba n ILE 29 N -1.37 0.76 -0.00 -1.44 2.08 0.54 -4.95 119.36 114.97 1iba n ILE 29 Ca 0.00 -0.46 -0.13 0.00 0.56 0.00 0.00 62.75 62.73 1iba n ILE 29 Cb 0.10 -0.32 -0.10 0.00 -0.75 0.00 0.00 39.64 38.57 1iba n ILE 29 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1iba h THR 30 N -0.37 1.32 -3.95 1.39 1.35 -1.89 -3.46 112.91 107.30 1iba h THR 30 Ca -0.44 -1.20 -0.31 0.00 -0.55 0.00 0.00 66.41 63.92 1iba h THR 30 Cb 1.38 2.11 -0.24 0.00 -1.73 0.00 0.00 68.15 69.67 1iba h THR 30 CO 0.38 0.30 -0.75 0.21 -0.25 0.00 0.00 175.52 175.42 1iba s ASN 31 N -5.67 0.88 0.30 5.36 3.84 -0.78 -5.04 114.94 113.84 1iba s ASN 31 Ca -0.16 -0.41 0.08 0.00 0.21 0.00 0.00 52.86 52.59 1iba s ASN 31 Cb 0.01 -0.01 -0.06 0.00 -0.55 0.00 0.00 41.25 40.64 1iba s ASN 31 CO 0.65 -0.10 -0.09 -0.76 -2.79 0.00 0.00 177.10 174.01 1iba s LEU 32 N -1.11 2.59 -0.43 3.21 2.01 -1.26 -0.83 118.68 122.87 1iba s LEU 32 Ca -0.05 -1.17 0.07 0.00 0.01 0.00 0.00 54.13 52.99 1iba s LEU 32 Cb -0.07 -0.81 0.24 0.00 0.01 0.00 0.00 46.19 45.56 1iba s LEU 32 CO 0.00 -0.25 0.64 -0.67 1.01 0.00 0.00 176.35 177.08 1iba n ASP 33 N -0.65 -0.96 -4.81 2.29 -0.08 -1.07 -4.93 116.55 106.34 1iba n ASP 33 Ca -0.05 -2.89 -0.33 0.00 -1.51 0.00 0.00 54.79 50.01 1iba n ASP 33 Cb 0.63 0.24 -0.01 0.00 2.34 0.00 0.00 41.12 44.31 1iba n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iba s ALA 34 N -0.46 2.85 0.18 -1.67 0.00 -1.26 -3.13 121.76 118.27 1iba s ALA 34 Ca 0.34 0.41 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 1iba s ALA 34 Cb 0.18 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1iba s ALA 34 CO -0.16 -0.53 0.92 0.00 0.00 0.00 0.00 175.76 176.00 1iba n ILE 36 N -0.65 -0.44 -2.77 0.00 -0.00 -1.26 -2.29 119.36 111.95 1iba n ILE 36 Ca -0.02 1.93 -0.03 0.00 -0.00 0.00 0.00 62.75 64.63 1iba n ILE 36 Cb 0.53 -2.54 0.06 0.00 -0.00 0.00 0.00 39.64 37.69 1iba n ILE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1iba n THR 37 N -5.20 0.94 -3.96 7.28 -1.04 -1.26 -5.09 114.28 105.96 1iba n THR 37 Ca 0.08 -2.57 -0.12 0.00 -2.04 0.00 0.00 64.05 59.40 1iba n THR 37 Cb 0.32 1.11 -0.13 0.00 -1.82 0.00 0.00 70.33 69.81 1iba n THR 37 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1iba s ARG 38 N -2.83 0.17 -0.16 -2.82 3.52 -0.97 -1.97 118.95 113.90 1iba s ARG 38 Ca 0.24 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.58 1iba s ARG 38 Cb 0.37 -0.08 0.07 0.00 -1.56 0.00 0.00 34.95 33.75 1iba s ARG 38 CO -0.04 0.02 0.34 -0.51 -0.81 0.00 0.00 175.30 174.30 1iba s LEU 39 N -0.38 -0.30 0.12 -0.88 1.43 -0.52 -0.26 118.68 117.89 1iba s LEU 39 Ca -0.03 0.77 0.08 0.00 -1.03 0.00 0.00 54.13 53.92 1iba s LEU 39 Cb -0.03 1.04 -0.04 0.00 0.03 0.00 0.00 46.19 47.19 1iba s LEU 39 CO -0.00 -0.22 -0.19 -0.60 0.23 0.00 0.00 176.35 175.57 1iba s ARG 40 N 2.17 1.13 -0.35 1.70 3.52 -1.18 -1.90 118.95 124.04 1iba s ARG 40 Ca -0.03 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 1iba s ARG 40 Cb -0.11 -1.28 0.14 0.00 -1.56 0.00 0.00 34.95 32.14 1iba s ARG 40 CO -0.11 0.28 0.22 0.08 -0.81 0.00 0.00 175.30 174.96 1iba s VAL 41 N -1.51 0.09 -0.22 7.11 1.01 -0.52 -2.60 120.40 123.76 1iba s VAL 41 Ca 0.09 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 1iba s VAL 41 Cb -0.08 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1iba s VAL 41 CO 0.05 -0.95 0.58 -0.44 0.00 0.00 0.00 175.10 174.34 1iba s SER 42 N 1.16 6.58 0.22 3.32 0.01 -0.01 -3.77 113.70 121.21 1iba s SER 42 Ca 0.17 0.71 -0.20 0.00 1.31 0.00 0.00 55.95 57.94 1iba s SER 42 Cb -0.22 -2.32 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1iba s SER 42 CO -0.01 -0.27 0.61 0.54 0.41 0.00 0.00 173.24 174.52 1iba s VAL 43 N 2.03 0.01 0.08 3.43 0.11 -1.26 -1.86 120.40 122.94 1iba s VAL 43 Ca 0.26 -0.64 -0.33 0.00 -2.93 0.00 0.00 61.98 58.34 1iba s VAL 43 Cb -0.16 -1.57 -0.17 0.00 -1.53 0.00 0.00 36.38 32.95 1iba s VAL 43 CO 0.09 -0.04 1.62 0.00 -3.33 0.00 0.00 175.10 173.45 1iba h ALA 44 N 2.07 -0.88 -0.17 1.54 0.00 -1.96 -3.40 119.26 116.47 1iba h ALA 44 Ca -0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1iba h ALA 44 Cb 1.27 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1iba h ALA 44 CO 0.32 -1.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.32 1iba n ASP 45 N -5.48 0.00 -0.90 0.00 8.00 -1.26 -4.66 116.55 112.25 1iba n ASP 45 Ca -0.13 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.31 1iba n ASP 45 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1iba n ASP 45 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1iba n VAL 46 N 0.00 0.00 0.00 2.53 0.24 -1.26 -4.53 118.33 115.31 1iba n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1iba n VAL 46 Cb 0.00 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 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 0.29 0.00 0.26 -1.34 2.88 -1.26 -4.86 113.62 109.59 1iba n SER 47 Ca -0.07 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.63 1iba n SER 47 Cb 0.29 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.38 1iba n SER 47 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iba h LYS 48 N 0.00 0.00 -6.62 -1.46 -0.00 -1.98 -3.46 116.57 103.05 1iba h LYS 48 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 60.08 1iba h LYS 48 Cb 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 32.23 32.40 1iba h LYS 48 CO 0.00 0.06 -0.26 1.55 -0.00 0.00 0.00 179.45 180.80 1iba n VAL 49 N -3.19 2.58 -1.87 0.07 3.14 -1.26 -4.90 118.33 112.90 1iba n VAL 49 Ca 0.00 -0.48 -0.38 0.00 -2.96 0.00 0.00 64.34 60.53 1iba n VAL 49 Cb 0.33 -0.81 0.02 0.00 -1.06 0.00 0.00 33.84 32.32 1iba n VAL 49 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1iba n ASP 50 N -0.01 7.34 -0.19 6.55 5.68 -1.26 -4.68 116.55 129.98 1iba n ASP 50 Ca 0.12 -3.71 -0.06 0.00 -0.50 0.00 0.00 54.79 50.64 1iba n ASP 50 Cb 0.48 -1.11 0.10 0.00 -1.14 0.00 0.00 41.12 39.45 1iba n ASP 50 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1iba h GLN 51 N 3.07 0.98 -0.96 0.11 4.20 -1.95 -1.26 115.11 119.29 1iba h GLN 51 Ca 0.54 -0.25 0.38 0.00 0.06 0.00 0.00 58.65 59.37 1iba h GLN 51 Cb 0.16 -0.12 -0.14 0.00 0.30 0.00 0.00 27.48 27.68 1iba h GLN 51 CO 1.33 0.91 0.56 0.00 -0.67 0.00 0.00 178.83 180.96 1iba n ALA 52 N -2.47 0.98 0.01 3.87 0.00 -1.26 0.80 120.51 122.44 1iba n ALA 52 Ca 0.04 0.84 -0.22 0.00 0.00 0.00 0.00 53.44 54.10 1iba n ALA 52 Cb 0.28 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 1iba n ALA 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iba h GLY 53 N 0.00 0.30 2.00 0.00 0.00 -1.75 -3.39 103.07 100.24 1iba h GLY 53 Ca 0.74 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1iba h GLY 53 CO -0.58 0.67 0.00 -2.00 0.00 0.00 0.00 176.54 174.63 1iba h LEU 54 N -0.10 0.00 0.17 3.11 6.46 0.15 0.34 115.31 125.44 1iba h LEU 54 Ca -0.38 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.07 1iba h LEU 54 Cb 1.92 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 41.88 1iba h LEU 54 CO 0.07 0.00 -1.35 0.07 -0.62 0.00 0.00 178.44 176.61 1iba h LYS 55 N 0.00 0.55 -0.00 1.25 5.09 0.02 0.46 116.57 123.93 1iba h LYS 55 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 60.65 59.91 1iba h LYS 55 Cb 0.19 0.29 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1iba h LYS 55 CO 0.00 1.38 -0.82 0.36 -2.09 0.00 0.00 179.45 178.28 1iba n LYS 56 N -3.73 0.64 -0.05 0.07 2.85 -1.07 -2.48 118.16 114.39 1iba n LYS 56 Ca -0.14 -0.23 -0.07 0.00 -1.05 0.00 0.00 58.31 56.82 1iba n LYS 56 Cb 1.04 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.93 1iba n LYS 56 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1iba n LEU 57 N -1.13 2.40 -0.02 -5.58 0.00 0.12 -4.89 117.00 107.89 1iba n LEU 57 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1iba n LEU 57 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 43.42 43.49 1iba n LEU 57 CO 0.37 0.59 -0.10 0.61 0.00 0.00 0.00 177.39 178.87 1iba n GLY 58 N 2.87 -0.63 0.00 -3.96 0.00 0.05 -4.82 105.19 98.70 1iba n GLY 58 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.64 0.00 -3.13 4.61 0.00 0.14 -4.74 120.51 114.76 1iba n ALA 59 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1iba n ALA 59 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 1.70 0.00 0.00 0.00 0.17 -3.93 120.51 115.46 1iba n ALA 60 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1iba n ALA 60 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.65 1.87 3.67 0.00 0.00 -0.91 -3.55 105.19 106.94 1iba n GLY 61 Ca 0.21 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 2.16 0.03 1.61 -7.23 -1.26 -1.05 120.40 114.65 1iba s VAL 62 Ca 0.00 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1iba s VAL 62 Cb 0.00 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 1iba s VAL 62 CO 0.00 -0.01 -0.10 0.68 -0.31 0.00 0.00 175.10 175.36 1iba s VAL 63 N -2.65 0.74 -0.11 1.32 -7.23 0.57 -4.97 120.40 108.07 1iba s VAL 63 Ca 0.38 -0.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1iba s VAL 63 Cb 0.07 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.31 1iba s VAL 63 CO 0.20 -0.06 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.01 1iba s VAL 64 N -0.77 2.03 -0.31 1.32 1.01 -1.26 -1.66 120.40 120.76 1iba s VAL 64 Ca -0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1iba s VAL 64 Cb -0.07 -1.77 0.11 0.00 0.00 0.00 0.00 36.38 34.66 1iba s VAL 64 CO 0.00 0.55 0.15 0.00 0.00 0.00 0.00 175.10 175.80 1iba s ALA 65 N 0.48 0.77 -0.31 5.51 0.00 -0.03 -5.01 121.76 123.18 1iba s ALA 65 Ca -0.16 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 1iba s ALA 65 Cb -0.17 -1.46 -0.12 0.00 0.00 0.00 0.00 23.12 21.36 1iba s ALA 65 CO 0.06 -1.77 1.26 0.41 0.00 0.00 0.00 175.76 175.72 1iba n GLY 66 N 4.91 -0.05 0.00 0.00 0.00 -1.26 0.11 105.19 108.90 1iba n GLY 66 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 4.20 0.00 0.00 1.61 7.64 -1.26 -5.09 113.62 120.72 1iba n SER 67 Ca 0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1iba n SER 67 Cb -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1iba n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iba n GLY 68 N -0.55 -0.30 2.96 0.23 0.00 0.30 -4.58 105.19 103.25 1iba n GLY 68 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1iba n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iba s VAL 69 N -2.00 -0.68 0.22 1.61 1.01 -1.25 -0.85 120.40 118.47 1iba s VAL 69 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1iba s VAL 69 Cb 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 1iba s VAL 69 CO 0.00 -0.12 0.62 -1.58 0.00 0.00 0.00 175.10 174.02 1iba s GLN 70 N 2.60 3.98 0.04 2.72 0.74 -0.66 -1.44 119.66 127.64 1iba s GLN 70 Ca 0.14 0.53 0.04 0.00 0.05 0.00 0.00 55.36 56.11 1iba s GLN 70 Cb -0.15 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.21 1iba s GLN 70 CO -0.19 0.34 -0.12 0.00 -0.55 0.00 0.00 175.29 174.78 1iba s ALA 71 N -1.69 0.95 -0.01 1.58 0.00 -0.80 -0.31 121.76 121.48 1iba s ALA 71 Ca 0.45 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 1iba s ALA 71 Cb -0.13 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1iba s ALA 71 CO 0.20 0.15 0.25 0.42 0.00 0.00 0.00 175.76 176.77 1iba s ILE 72 N -0.90 0.06 -0.32 0.00 1.09 -0.22 -1.44 121.20 119.47 1iba s ILE 72 Ca -0.01 -0.54 0.17 0.00 -1.10 0.00 0.00 60.65 59.17 1iba s ILE 72 Cb -0.08 -0.54 0.46 0.00 -1.06 0.00 0.00 42.46 41.24 1iba s ILE 72 CO 0.01 -0.30 0.98 2.22 -0.10 0.00 0.00 174.94 177.76 1iba n PHE 73 N 1.39 1.36 0.08 3.97 -1.74 -0.83 0.47 117.46 122.15 1iba n PHE 73 Ca -0.22 -2.74 -0.19 0.00 -0.56 0.00 0.00 57.45 53.74 1iba n PHE 73 Cb 0.56 -0.34 -0.15 0.00 1.52 0.00 0.00 39.48 41.07 1iba n PHE 73 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1iba h GLY 74 N 2.92 0.36 -7.19 4.97 0.00 -1.71 -3.15 103.07 99.27 1iba h GLY 74 Ca -0.07 -0.93 -0.43 0.00 0.00 0.00 0.00 47.33 45.91 1iba h GLY 74 CO 0.50 0.81 1.06 -0.51 0.00 0.00 0.00 176.54 178.40 1iba s THR 75 N -2.61 3.64 0.00 4.70 -4.23 -1.23 -3.03 115.64 112.88 1iba s THR 75 Ca -0.09 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1iba s THR 75 Cb 0.06 -4.44 0.00 0.00 1.34 0.00 0.00 72.50 69.46 1iba s THR 75 CO 0.87 -1.36 0.00 1.17 -0.54 0.00 0.00 174.62 174.76 1iba n LYS 76 N 8.89 0.00 -0.38 3.99 3.00 -1.26 -4.78 118.16 127.61 1iba n LYS 76 Ca 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.63 1iba n LYS 76 Cb 0.49 -2.57 -0.01 0.00 0.00 0.00 0.00 35.03 32.94 1iba n LYS 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1iba n SER 77 N 1.47 -0.76 -0.27 3.14 7.64 -1.17 -0.60 113.62 123.08 1iba n SER 77 Ca 0.00 1.69 0.04 0.00 1.01 0.00 0.00 58.87 61.61 1iba n SER 77 Cb 0.38 -0.33 0.17 0.00 -1.01 0.00 0.00 64.21 63.42 1iba n SER 77 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1iba h ASP 78 N 0.00 0.50 -0.48 6.43 3.32 -1.91 0.23 116.42 124.52 1iba h ASP 78 Ca 0.27 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1iba h ASP 78 Cb 0.51 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1iba h ASP 78 CO -0.94 0.25 0.28 -1.13 -1.72 0.00 0.00 179.24 175.99 1iba h ASN 79 N 0.62 0.58 -0.15 6.45 -1.24 -1.24 0.41 115.58 121.01 1iba h ASN 79 Ca 0.40 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.29 1iba h ASN 79 Cb 0.48 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 1iba h ASN 79 CO -0.31 0.47 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.11 1iba h LEU 80 N 0.64 0.36 -1.85 0.34 -0.00 -0.84 -1.32 115.31 112.64 1iba h LEU 80 Ca 0.17 -0.46 0.05 0.00 -0.00 0.00 0.00 57.88 57.65 1iba h LEU 80 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 1iba h LEU 80 CO -0.03 0.74 0.21 0.50 -0.00 0.00 0.00 178.44 179.86 1iba h LYS 81 N -0.02 0.18 -0.45 1.13 3.64 -0.43 0.33 116.57 120.95 1iba h LYS 81 Ca 0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1iba h LYS 81 Cb 0.63 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1iba h LYS 81 CO 0.03 0.12 0.20 1.15 -2.27 0.00 0.00 179.45 178.68 1iba h THR 82 N 0.19 1.20 -0.83 1.00 2.02 0.35 0.41 112.91 117.24 1iba h THR 82 Ca 0.14 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1iba h THR 82 Cb 0.31 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1iba h THR 82 CO -0.02 0.22 0.46 -0.33 0.37 0.00 0.00 175.52 176.21 1iba h GLU 83 N 0.59 1.15 -0.46 6.66 4.39 0.64 -0.92 114.58 126.64 1iba h GLU 83 Ca 0.15 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1iba h GLU 83 Cb 0.16 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1iba h GLU 83 CO -0.02 0.84 -0.03 0.52 -1.16 0.00 0.00 179.01 179.16 1iba h MET 84 N 1.16 0.83 -0.33 2.33 2.86 -0.34 -2.48 114.93 118.96 1iba h MET 84 Ca 0.29 -0.28 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1iba h MET 84 Cb 0.02 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.53 1iba h MET 84 CO -0.05 0.90 -0.26 0.22 1.06 0.00 0.00 176.91 178.79 1iba h ASP 85 N 0.67 -0.85 -0.62 1.22 3.58 0.61 0.90 116.42 121.94 1iba h ASP 85 Ca 0.13 0.16 0.13 0.00 0.42 0.00 0.00 57.03 57.86 1iba h ASP 85 Cb 0.55 0.41 -0.11 0.00 1.72 0.00 0.00 39.33 41.89 1iba h ASP 85 CO 0.03 -0.28 -0.10 -0.33 -2.88 0.00 0.00 179.24 175.68 1iba h GLU 86 N -0.22 0.04 -0.23 0.28 4.39 -0.99 -0.95 114.58 116.90 1iba h GLU 86 Ca 0.16 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1iba h GLU 86 Cb 0.48 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1iba h GLU 86 CO -0.46 0.03 -0.39 -0.92 -1.16 0.00 0.00 179.01 176.11 1iba h TYR 87 N 0.04 -1.19 -0.45 4.33 3.20 -0.37 0.82 116.97 123.35 1iba h TYR 87 Ca 0.31 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.25 1iba h TYR 87 Cb 0.49 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1iba h TYR 87 CO -0.45 -0.36 0.29 0.82 -1.64 0.00 0.00 178.16 176.82 1iba h ILE 88 N -0.32 1.09 -0.14 1.81 5.03 -0.93 0.29 117.51 124.33 1iba h ILE 88 Ca 0.04 -0.20 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 1iba h ILE 88 Cb 0.44 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.67 1iba h ILE 88 CO -0.39 0.11 -0.02 0.03 -0.68 0.00 0.00 178.15 177.20 1iba h ARG 89 N 0.59 0.21 0.00 2.37 3.08 -0.64 0.41 114.38 120.39 1iba h ARG 89 Ca 0.17 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1iba h ARG 89 Cb -0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1iba h ARG 89 CO -0.05 0.25 -0.11 -0.97 -1.07 0.00 0.00 179.97 178.02 1iba h ASN 90 N 0.21 0.00 -0.38 7.04 -1.24 0.25 -3.32 115.58 118.14 1iba h ASN 90 Ca 0.05 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.77 1iba h ASN 90 Cb 0.19 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 38.92 1iba h ASN 90 CO 0.01 0.11 -0.85 0.33 -1.29 0.00 0.00 177.43 175.74 1iba n PHE 91 N -3.15 1.32 0.00 0.67 7.35 0.84 -5.06 117.46 119.44 1iba n PHE 91 Ca 0.03 -1.77 0.00 0.00 -0.76 0.00 0.00 57.45 54.95 1iba n PHE 91 Cb 0.53 -0.26 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41