#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 1.14 -0.01 3.04 0.00 -1.99 0.49 119.26 121.94 1iba h ALA 16 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1iba h ALA 16 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1iba h ALA 16 CO 0.00 -0.22 -0.71 -1.00 0.00 0.00 0.00 179.25 177.32 1iba h PRO 17 N 0.46 0.05 -0.05 0.00 0.13 -1.96 -2.42 132.00 128.20 1iba h PRO 17 Ca 0.44 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.51 1iba h PRO 17 Cb 0.70 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1iba h PRO 17 CO -0.42 0.74 -0.06 0.00 -0.23 0.00 0.00 178.00 178.03 1iba h ALA 18 N 1.24 1.80 0.25 -0.56 0.00 -1.56 -2.40 119.26 118.04 1iba h ALA 18 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iba h ALA 18 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1iba h ALA 18 CO 0.10 0.15 -0.12 1.25 0.00 0.00 0.00 179.25 180.63 1iba h LEU 19 N 0.07 -0.29 -1.27 0.00 7.12 0.42 -0.17 115.31 121.20 1iba h LEU 19 Ca 0.02 0.01 0.37 0.00 0.13 0.00 0.00 57.88 58.41 1iba h LEU 19 Cb 0.16 0.07 -0.13 0.00 -0.53 0.00 0.00 40.66 40.24 1iba h LEU 19 CO 0.01 -0.16 0.72 1.62 -0.13 0.00 0.00 178.44 180.50 1iba h VAL 20 N -0.43 0.24 -0.69 1.05 3.04 -1.48 1.61 116.25 119.60 1iba h VAL 20 Ca -0.03 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.53 1iba h VAL 20 Cb 0.26 0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 29.53 1iba h VAL 20 CO 0.06 0.04 0.21 0.00 -1.01 0.00 0.00 177.57 176.87 1iba h ALA 21 N 1.69 0.90 -1.35 3.17 0.00 -1.15 -0.83 119.26 121.69 1iba h ALA 21 Ca 0.76 -0.22 0.39 0.00 0.00 0.00 0.00 54.91 55.84 1iba h ALA 21 Cb 2.12 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 1iba h ALA 21 CO -0.46 0.58 1.08 0.00 0.00 0.00 0.00 179.25 180.45 1iba h ALA 22 N 1.09 3.25 0.00 0.00 0.00 0.43 0.13 119.26 124.17 1iba h ALA 22 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1iba h ALA 22 Cb 0.30 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1iba h ALA 22 CO -0.01 -1.78 -0.15 0.34 0.00 0.00 0.00 179.25 177.66 1iba n PHE 23 N -3.85 -0.91 0.30 0.00 -0.00 -1.13 -4.52 117.46 107.35 1iba n PHE 23 Ca 0.30 0.16 0.16 0.00 -0.00 0.00 0.00 57.45 58.07 1iba n PHE 23 Cb 1.51 0.27 0.94 0.00 -0.00 0.00 0.00 39.48 42.20 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 -2.15 7.13 0.00 -1.27 -1.42 103.07 105.36 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 -1.20 1.68 3.57 4.60 0.00 0.45 -4.77 105.19 109.51 1iba n GLY 25 Ca -0.03 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 1iba n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iba s LYS 26 N -1.37 2.40 0.57 1.61 -0.14 -0.54 -4.75 119.74 117.53 1iba s LYS 26 Ca 0.40 -0.60 0.29 0.00 -1.36 0.00 0.00 55.97 54.70 1iba s LYS 26 Cb 0.22 -5.11 1.47 0.00 -1.68 0.00 0.00 37.83 32.72 1iba s LYS 26 CO 0.30 -3.79 1.90 1.05 -0.76 0.00 0.00 175.35 174.04 1iba h GLU 27 N 10.77 0.00 -1.15 1.68 4.11 -1.87 0.23 114.58 128.36 1iba h GLU 27 Ca 0.13 0.00 0.33 0.00 0.07 0.00 0.00 59.36 59.90 1iba h GLU 27 Cb 0.98 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1iba h GLU 27 CO 1.19 0.00 1.00 -0.97 0.07 0.00 0.00 179.01 180.30 1iba h ASN 28 N 0.00 0.00 0.00 3.06 -0.73 -1.97 -3.45 115.58 112.49 1iba h ASN 28 Ca 0.26 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1iba h ASN 28 Cb 1.29 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1iba h ASN 28 CO -0.00 0.00 0.00 -0.38 -0.37 0.00 0.00 177.43 176.68 1iba n ILE 29 N -3.75 0.00 0.04 2.57 -0.00 0.82 -4.98 119.36 114.06 1iba n ILE 29 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.00 1iba n ILE 29 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 41.01 1iba n ILE 29 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1iba n THR 30 N 0.08 0.45 -3.45 1.39 5.66 -1.26 -5.05 114.28 112.10 1iba n THR 30 Ca 0.00 0.15 -0.25 0.00 -3.05 0.00 0.00 64.05 60.90 1iba n THR 30 Cb 0.00 -1.27 -0.12 0.00 -1.55 0.00 0.00 70.33 67.39 1iba n THR 30 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1iba s ASN 31 N -5.37 2.55 0.03 1.09 2.47 -1.22 -5.11 114.94 109.39 1iba s ASN 31 Ca 0.00 -1.55 0.00 0.00 0.42 0.00 0.00 52.86 51.73 1iba s ASN 31 Cb 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 41.25 39.76 1iba s ASN 31 CO 0.00 -0.35 0.01 0.18 -3.72 0.00 0.00 177.10 173.21 1iba n LEU 32 N 4.66 0.00 -3.20 3.21 7.99 -1.26 -3.58 117.00 124.82 1iba n LEU 32 Ca 0.04 -0.22 0.01 0.00 -0.01 0.00 0.00 56.01 55.82 1iba n LEU 32 Cb 0.42 0.05 -0.01 0.00 -0.11 0.00 0.00 43.42 43.77 1iba n LEU 32 CO 0.08 -0.03 0.07 -0.62 -1.51 0.00 0.00 177.39 175.38 1iba s ASP 33 N -1.19 -1.33 0.52 -1.43 2.15 -1.21 -4.96 116.67 109.21 1iba s ASP 33 Ca 0.01 -0.49 -0.18 0.00 0.43 0.00 0.00 52.55 52.32 1iba s ASP 33 Cb 0.00 1.87 -0.07 0.00 -0.30 0.00 0.00 42.92 44.42 1iba s ASP 33 CO 0.01 -0.23 1.01 0.00 -0.17 0.00 0.00 175.17 175.79 1iba s ALA 34 N 2.18 2.94 0.16 3.66 0.00 -1.26 -2.03 121.76 127.40 1iba s ALA 34 Ca 0.14 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 1iba s ALA 34 Cb -0.07 -3.18 0.07 0.00 0.00 0.00 0.00 23.12 19.94 1iba s ALA 34 CO -0.14 -0.34 1.02 0.00 0.00 0.00 0.00 175.76 176.29 1iba n ILE 36 N -0.57 0.00 -1.31 0.00 -0.00 -1.26 -2.28 119.36 113.94 1iba n ILE 36 Ca -0.05 0.64 -0.04 0.00 -0.00 0.00 0.00 62.75 63.30 1iba n ILE 36 Cb 0.60 -0.98 0.21 0.00 -0.00 0.00 0.00 39.64 39.47 1iba n ILE 36 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1iba n THR 37 N -0.74 2.61 -3.67 7.28 5.66 -1.26 -4.94 114.28 119.22 1iba n THR 37 Ca 0.00 -2.41 -0.17 0.00 -3.05 0.00 0.00 64.05 58.42 1iba n THR 37 Cb 0.00 -0.33 -0.16 0.00 -1.55 0.00 0.00 70.33 68.29 1iba n THR 37 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1iba s ARG 38 N -3.16 0.02 -0.06 1.09 0.52 -0.97 -1.66 118.95 114.74 1iba s ARG 38 Ca 0.46 0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 56.19 1iba s ARG 38 Cb 0.41 -0.31 0.04 0.00 0.52 0.00 0.00 34.95 35.60 1iba s ARG 38 CO 0.04 -0.31 0.11 -0.48 0.02 0.00 0.00 175.30 174.67 1iba s LEU 39 N 2.28 0.07 0.33 2.53 0.05 0.06 0.88 118.68 124.88 1iba s LEU 39 Ca 0.03 0.20 0.07 0.00 0.05 0.00 0.00 54.13 54.48 1iba s LEU 39 Cb -0.12 0.07 -0.01 0.00 -2.05 0.00 0.00 46.19 44.07 1iba s LEU 39 CO -0.05 -0.24 0.43 0.00 -0.55 0.00 0.00 176.35 175.93 1iba s ARG 40 N 2.19 3.02 -0.43 1.48 3.03 -0.86 -2.96 118.95 124.42 1iba s ARG 40 Ca 0.04 -1.08 0.07 0.00 2.03 0.00 0.00 55.73 56.78 1iba s ARG 40 Cb -0.12 -2.73 0.23 0.00 -1.03 0.00 0.00 34.95 31.29 1iba s ARG 40 CO -0.04 0.07 0.58 0.28 -1.13 0.00 0.00 175.30 175.06 1iba n VAL 41 N -1.57 -0.60 -2.38 4.99 0.31 -1.10 -3.34 118.33 114.64 1iba n VAL 41 Ca -0.01 -3.06 -0.43 0.00 -0.01 0.00 0.00 64.34 60.83 1iba n VAL 41 Cb 0.58 -0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 32.62 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 -0.84 6.55 0.11 4.52 0.15 -1.20 -4.28 113.70 118.72 1iba s SER 42 Ca 0.33 1.12 -0.06 0.00 0.70 0.00 0.00 55.95 58.04 1iba s SER 42 Cb 0.14 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 1iba s SER 42 CO -0.15 -1.20 0.17 0.68 1.20 0.00 0.00 173.24 173.93 1iba s VAL 43 N 4.75 0.12 -0.41 4.45 -7.23 -1.26 -3.42 120.40 117.41 1iba s VAL 43 Ca 0.59 -1.45 0.23 0.00 -1.81 0.00 0.00 61.98 59.54 1iba s VAL 43 Cb -0.16 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.17 1iba s VAL 43 CO 0.26 -0.56 1.17 0.00 -0.31 0.00 0.00 175.10 175.66 1iba h ALA 44 N 2.76 0.54 -0.05 1.32 0.00 -1.96 -3.42 119.26 118.46 1iba h ALA 44 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 1iba h ALA 44 Cb 1.20 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.04 1iba h ALA 44 CO 0.56 0.00 0.51 -0.25 0.00 0.00 0.00 179.25 180.06 1iba n ASP 45 N -2.46 1.11 -3.65 0.00 9.92 -1.26 -4.69 116.55 115.52 1iba n ASP 45 Ca 0.01 -2.45 -0.41 0.00 -0.53 0.00 0.00 54.79 51.42 1iba n ASP 45 Cb 0.50 -1.26 0.02 0.00 -0.64 0.00 0.00 41.12 39.74 1iba n ASP 45 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1iba n VAL 46 N 8.23 5.89 -3.76 2.53 3.14 -1.26 -4.78 118.33 128.32 1iba n VAL 46 Ca 0.42 -5.96 -0.30 0.00 -2.96 0.00 0.00 64.34 55.53 1iba n VAL 46 Cb 0.45 -1.61 -0.15 0.00 -1.06 0.00 0.00 33.84 31.48 1iba n VAL 46 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1iba s SER 47 N -1.49 4.08 -1.57 6.55 0.15 -1.26 -4.78 113.70 115.38 1iba s SER 47 Ca 0.39 -1.72 -0.13 0.00 0.70 0.00 0.00 55.95 55.19 1iba s SER 47 Cb 0.18 -0.93 0.10 0.00 -1.71 0.00 0.00 66.02 63.65 1iba s SER 47 CO -0.10 -0.41 0.82 0.29 1.20 0.00 0.00 173.24 175.04 1iba n LYS 48 N 4.75 -4.34 0.07 5.44 4.01 -1.26 -4.83 118.16 122.01 1iba n LYS 48 Ca -0.01 0.49 0.13 0.00 -0.51 0.00 0.00 58.31 58.41 1iba n LYS 48 Cb 0.42 -5.20 0.45 0.00 -0.51 0.00 0.00 35.03 30.19 1iba n LYS 48 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1iba n VAL 49 N -4.51 0.38 -3.56 -0.18 3.14 -1.26 -4.95 118.33 107.39 1iba n VAL 49 Ca -0.02 -0.19 -0.24 0.00 -2.96 0.00 0.00 64.34 60.94 1iba n VAL 49 Cb 0.54 -0.51 0.05 0.00 -1.06 0.00 0.00 33.84 32.86 1iba n VAL 49 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1iba n ASP 50 N -1.99 -4.42 0.02 6.55 9.92 -1.26 -4.38 116.55 120.99 1iba n ASP 50 Ca 0.06 -0.87 -0.19 0.00 -0.53 0.00 0.00 54.79 53.26 1iba n ASP 50 Cb 0.40 -4.11 -0.11 0.00 -0.64 0.00 0.00 41.12 36.66 1iba n ASP 50 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1iba h GLN 51 N -1.66 0.49 -0.24 -1.24 4.20 -1.96 0.11 115.11 114.80 1iba h GLN 51 Ca -0.63 -0.55 0.07 0.00 0.06 0.00 0.00 58.65 57.60 1iba h GLN 51 Cb 1.35 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 1iba h GLN 51 CO 0.49 1.19 0.27 0.00 -0.67 0.00 0.00 178.83 180.11 1iba h ALA 52 N 0.32 1.88 0.15 3.87 0.00 -2.01 0.19 119.26 123.65 1iba h ALA 52 Ca -0.10 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1iba h ALA 52 Cb 1.47 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1iba h ALA 52 CO 0.15 -0.40 -1.24 0.78 0.00 0.00 0.00 179.25 178.54 1iba h GLY 53 N 0.00 0.37 2.00 0.00 0.00 -1.86 -3.38 103.07 100.20 1iba h GLY 53 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1iba h GLY 53 CO -0.00 0.83 0.00 -0.10 0.00 0.00 0.00 176.54 177.26 1iba n LEU 54 N -3.93 0.56 0.01 3.11 0.00 0.45 -0.49 117.00 116.71 1iba n LEU 54 Ca -0.20 0.64 -0.18 0.00 0.00 0.00 0.00 56.01 56.28 1iba n LEU 54 Cb 0.92 -0.58 -0.12 0.00 0.00 0.00 0.00 43.42 43.64 1iba n LEU 54 CO 0.48 -0.53 0.22 0.07 0.00 0.00 0.00 177.39 177.62 1iba h LYS 55 N 0.00 0.33 0.14 1.96 -0.00 -1.18 0.41 116.57 118.23 1iba h LYS 55 Ca 0.00 -0.41 -0.36 0.00 -0.00 0.00 0.00 60.65 59.88 1iba h LYS 55 Cb 0.33 0.13 -0.01 0.00 -0.00 0.00 0.00 32.23 32.68 1iba h LYS 55 CO 0.00 1.11 -1.91 1.57 -0.00 0.00 0.00 179.45 180.23 1iba h LYS 56 N -0.26 0.31 0.08 0.07 2.10 -1.63 -1.14 116.57 116.09 1iba h LYS 56 Ca -0.09 -0.52 -0.34 0.00 -2.00 0.00 0.00 60.65 57.70 1iba h LYS 56 Cb 1.35 0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 32.85 1iba h LYS 56 CO 0.11 1.24 -1.93 -0.11 -2.00 0.00 0.00 179.45 176.76 1iba n LEU 57 N -3.51 2.04 -0.03 7.07 -0.00 0.36 -4.54 117.00 118.38 1iba n LEU 57 Ca -0.29 0.26 -0.21 0.00 -0.00 0.00 0.00 56.01 55.77 1iba n LEU 57 Cb 1.06 -0.67 -0.13 0.00 -0.00 0.00 0.00 43.42 43.68 1iba n LEU 57 CO 0.46 0.70 -0.47 1.23 -0.00 0.00 0.00 177.39 179.31 1iba h GLY 58 N 1.96 0.18 0.00 -3.96 0.00 -1.31 -3.47 103.07 96.47 1iba h GLY 58 Ca -0.39 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1iba h GLY 58 CO 0.08 0.40 0.00 0.00 0.00 0.00 0.00 176.54 177.02 1iba n ALA 59 N -3.09 0.00 -2.80 3.60 0.00 0.14 -4.98 120.51 113.38 1iba n ALA 59 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1iba n ALA 59 Cb 0.83 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.35 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 0.02 0.00 0.00 0.00 -0.44 -4.04 120.51 113.05 1iba n ALA 60 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.64 1iba n ALA 60 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.22 0.76 3.72 0.00 0.00 0.00 -0.97 105.19 108.92 1iba n GLY 61 Ca 0.08 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 1.55 -0.16 1.61 -7.23 -1.26 -0.29 120.40 114.62 1iba s VAL 62 Ca 0.00 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1iba s VAL 62 Cb 0.00 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.50 1iba s VAL 62 CO 0.00 0.00 0.36 0.54 -0.31 0.00 0.00 175.10 175.69 1iba s VAL 63 N -2.80 -0.17 -0.11 1.32 0.11 -1.22 -4.94 120.40 112.59 1iba s VAL 63 Ca 0.19 0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1iba s VAL 63 Cb 0.04 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1iba s VAL 63 CO 0.10 0.06 0.09 -0.69 -3.33 0.00 0.00 175.10 171.33 1iba s VAL 64 N 1.68 5.12 -0.40 2.04 1.01 -1.26 -0.45 120.40 128.13 1iba s VAL 64 Ca -0.07 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1iba s VAL 64 Cb -0.10 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 33.23 1iba s VAL 64 CO -0.11 0.61 0.43 0.00 0.00 0.00 0.00 175.10 176.03 1iba s ALA 65 N -0.91 -0.49 -0.19 5.51 0.00 0.40 -4.98 121.76 121.10 1iba s ALA 65 Ca 0.14 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 1iba s ALA 65 Cb -0.12 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.81 1iba s ALA 65 CO 0.03 -2.14 0.69 0.41 0.00 0.00 0.00 175.76 174.75 1iba n GLY 66 N 3.86 0.02 0.00 0.00 0.00 -1.26 0.55 105.19 108.35 1iba n GLY 66 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1iba n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iba n SER 67 N 2.08 0.00 0.00 1.61 3.41 -1.26 -5.06 113.62 114.39 1iba n SER 67 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1iba n SER 67 Cb -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1iba n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iba n GLY 68 N -0.68 0.54 3.20 5.00 0.00 0.19 -4.88 105.19 108.56 1iba n GLY 68 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 0.07 0.54 1.61 1.01 -1.26 -0.45 120.40 119.92 1iba s VAL 69 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1iba s VAL 69 Cb 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1iba s VAL 69 CO 0.00 -0.34 0.16 -1.10 0.00 0.00 0.00 175.10 173.82 1iba s GLN 70 N -1.73 2.23 -0.28 2.72 -0.21 0.40 -2.69 119.66 120.10 1iba s GLN 70 Ca -0.11 -2.29 -0.14 0.00 0.02 0.00 0.00 55.36 52.84 1iba s GLN 70 Cb -0.04 -1.74 0.09 0.00 1.00 0.00 0.00 33.01 32.32 1iba s GLN 70 CO 0.01 -0.50 0.67 0.00 -2.12 0.00 0.00 175.29 173.35 1iba s ALA 71 N -2.86 -1.90 0.02 6.09 0.00 -1.15 -3.38 121.76 118.58 1iba s ALA 71 Ca 0.14 2.38 -0.08 0.00 0.00 0.00 0.00 51.96 54.40 1iba s ALA 71 Cb -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1iba s ALA 71 CO 0.09 -0.54 0.16 0.42 0.00 0.00 0.00 175.76 175.89 1iba s ILE 72 N 2.00 0.10 -0.72 0.00 1.09 0.61 -0.76 121.20 123.52 1iba s ILE 72 Ca -0.09 -0.84 0.04 0.00 -1.10 0.00 0.00 60.65 58.66 1iba s ILE 72 Cb -0.07 -0.73 0.25 0.00 -1.06 0.00 0.00 42.46 40.85 1iba s ILE 72 CO -0.19 -0.46 0.83 0.49 -0.10 0.00 0.00 174.94 175.51 1iba n PHE 73 N 0.99 3.46 0.00 3.97 3.01 -0.66 -0.82 117.46 127.41 1iba n PHE 73 Ca -0.20 -3.95 0.00 0.00 1.01 0.00 0.00 57.45 54.31 1iba n PHE 73 Cb 0.57 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1iba n PHE 73 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iba n GLY 74 N 1.07 -2.84 1.44 1.37 0.00 -0.14 -3.61 105.19 102.48 1iba n GLY 74 Ca 0.28 0.61 -0.03 0.00 0.00 0.00 0.00 46.02 46.88 1iba n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iba n THR 75 N -0.83 1.76 -2.67 2.61 -2.24 -1.26 -4.73 114.28 106.92 1iba n THR 75 Ca 0.00 -3.05 -0.08 0.00 -2.27 0.00 0.00 64.05 58.65 1iba n THR 75 Cb 0.00 -0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1iba n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iba n LYS 76 N -0.64 1.17 0.09 -0.78 4.01 -1.24 -4.90 118.16 115.87 1iba n LYS 76 Ca 0.22 -3.01 -0.23 0.00 -0.51 0.00 0.00 58.31 54.78 1iba n LYS 76 Cb 0.87 -1.04 -0.15 0.00 -0.51 0.00 0.00 35.03 34.20 1iba n LYS 76 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1iba h SER 77 N 2.81 0.66 -0.14 4.39 0.87 -1.85 -2.52 113.55 117.78 1iba h SER 77 Ca -0.13 -0.92 -0.00 0.00 -1.23 0.00 0.00 61.79 59.50 1iba h SER 77 Cb 1.20 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1iba h SER 77 CO 0.39 1.66 0.07 -0.78 -0.53 0.00 0.00 176.83 177.64 1iba h ASP 78 N -0.02 0.18 0.05 6.23 3.58 -1.91 0.51 116.42 125.04 1iba h ASP 78 Ca -0.27 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 1iba h ASP 78 Cb 2.00 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.01 1iba h ASP 78 CO 0.20 0.24 -0.03 -1.13 -2.88 0.00 0.00 179.24 175.65 1iba h ASN 79 N 0.10 -0.06 -0.65 2.28 -1.24 -1.94 -1.97 115.58 112.10 1iba h ASN 79 Ca 0.05 -0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.05 1iba h ASN 79 Cb 0.11 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 1iba h ASN 79 CO -0.01 0.03 0.35 -0.07 -1.29 0.00 0.00 177.43 176.44 1iba h LEU 80 N -0.15 0.51 -1.06 0.34 -0.00 -1.31 -1.69 115.31 111.95 1iba h LEU 80 Ca -0.01 0.03 0.14 0.00 -0.00 0.00 0.00 57.88 58.05 1iba h LEU 80 Cb 0.13 -0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 40.64 1iba h LEU 80 CO 0.01 0.33 0.62 0.11 -0.00 0.00 0.00 178.44 179.51 1iba h LYS 81 N 0.65 0.87 0.51 1.13 1.57 0.57 0.82 116.57 122.69 1iba h LYS 81 Ca 0.30 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1iba h LYS 81 Cb 0.21 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1iba h LYS 81 CO -0.19 0.57 -0.25 1.79 -0.57 0.00 0.00 179.45 180.80 1iba h THR 82 N 0.89 0.00 -0.77 -0.16 1.35 -0.59 0.28 112.91 113.91 1iba h THR 82 Ca 0.51 -0.29 0.16 0.00 -0.55 0.00 0.00 66.41 66.24 1iba h THR 82 Cb 0.63 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.00 1iba h THR 82 CO -0.28 0.00 0.52 1.05 -0.25 0.00 0.00 175.52 176.56 1iba h GLU 83 N -0.98 0.37 -0.22 4.72 4.11 -1.29 0.96 114.58 122.24 1iba h GLU 83 Ca -0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1iba h GLU 83 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1iba h GLU 83 CO 0.12 0.25 0.11 0.52 0.07 0.00 0.00 179.01 180.07 1iba h MET 84 N 0.38 0.32 -0.59 1.06 2.86 1.00 -1.94 114.93 118.02 1iba h MET 84 Ca 0.38 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.10 1iba h MET 84 Cb 0.93 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.43 1iba h MET 84 CO -0.12 0.33 -0.06 0.22 1.06 0.00 0.00 176.91 178.34 1iba h ASP 85 N 0.23 -0.38 -0.96 1.22 3.58 0.20 0.39 116.42 120.70 1iba h ASP 85 Ca 0.08 0.16 0.14 0.00 0.42 0.00 0.00 57.03 57.83 1iba h ASP 85 Cb 0.11 0.30 -0.09 0.00 1.72 0.00 0.00 39.33 41.38 1iba h ASP 85 CO -0.01 -0.15 0.58 -0.33 -2.88 0.00 0.00 179.24 176.45 1iba h GLU 86 N 0.06 0.81 -0.10 0.28 4.39 -0.72 -1.10 114.58 118.21 1iba h GLU 86 Ca 0.30 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1iba h GLU 86 Cb 0.47 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1iba h GLU 86 CO -0.55 0.54 0.03 1.88 -1.16 0.00 0.00 179.01 179.75 1iba h TYR 87 N 0.84 0.16 -0.50 4.33 0.05 0.51 0.78 116.97 123.15 1iba h TYR 87 Ca 0.51 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 59.22 1iba h TYR 87 Cb 0.64 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1iba h TYR 87 CO -0.03 0.30 0.09 0.82 -1.05 0.00 0.00 178.16 178.30 1iba h ILE 88 N -0.03 1.25 -0.36 -2.88 5.03 -1.19 0.10 117.51 119.43 1iba h ILE 88 Ca 0.03 -0.90 -0.00 0.00 -0.12 0.00 0.00 64.86 63.87 1iba h ILE 88 Cb 0.22 0.88 -0.02 0.00 -3.03 0.00 0.00 36.82 34.87 1iba h ILE 88 CO -0.00 0.32 0.21 0.03 -0.68 0.00 0.00 178.15 178.03 1iba h ARG 89 N 0.69 0.48 0.00 2.37 3.08 -0.93 0.42 114.38 120.50 1iba h ARG 89 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1iba h ARG 89 Cb 0.38 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1iba h ARG 89 CO 0.01 0.35 0.00 -0.97 -1.07 0.00 0.00 179.97 178.29 1iba h ASN 90 N 0.49 0.00 -0.10 7.04 -1.24 0.16 -3.30 115.58 118.64 1iba h ASN 90 Ca 0.13 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.99 1iba h ASN 90 Cb -0.00 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 38.80 1iba h ASN 90 CO -0.02 0.00 -0.82 0.33 -1.29 0.00 0.00 177.43 175.63 1iba n PHE 91 N -2.83 0.33 0.00 0.67 7.35 -0.08 -5.06 117.46 117.85 1iba n PHE 91 Ca 0.03 -1.17 0.00 0.00 -0.76 0.00 0.00 57.45 55.54 1iba n PHE 91 Cb 0.39 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.01 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41