#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 1.34 -0.13 3.04 0.00 -1.98 0.42 119.26 121.95 1iba h ALA 16 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1iba h ALA 16 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1iba h ALA 16 CO 0.00 0.14 -0.57 -1.00 0.00 0.00 0.00 179.25 177.82 1iba h PRO 17 N 0.87 0.40 -0.10 0.00 0.13 -1.95 -2.07 132.00 129.28 1iba h PRO 17 Ca 0.45 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 1iba h PRO 17 Cb 0.45 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1iba h PRO 17 CO -0.27 0.86 -0.01 0.00 -0.23 0.00 0.00 178.00 178.36 1iba h ALA 18 N 1.08 1.80 0.22 -0.56 0.00 -1.67 -1.98 119.26 118.15 1iba h ALA 18 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1iba h ALA 18 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1iba h ALA 18 CO 0.10 0.16 -0.11 1.25 0.00 0.00 0.00 179.25 180.65 1iba h LEU 19 N 0.14 -0.25 -1.25 0.00 7.12 0.51 -0.15 115.31 121.42 1iba h LEU 19 Ca 0.04 0.01 0.41 0.00 0.13 0.00 0.00 57.88 58.47 1iba h LEU 19 Cb 0.12 0.06 -0.14 0.00 -0.53 0.00 0.00 40.66 40.17 1iba h LEU 19 CO 0.00 -0.14 0.74 1.62 -0.13 0.00 0.00 178.44 180.53 1iba h VAL 20 N -0.36 0.12 -0.66 1.05 3.04 -1.45 1.22 116.25 119.21 1iba h VAL 20 Ca -0.03 -0.04 -0.05 0.00 -1.01 0.00 0.00 66.70 65.57 1iba h VAL 20 Cb 0.23 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.48 1iba h VAL 20 CO 0.05 0.02 0.21 0.00 -1.01 0.00 0.00 177.57 176.83 1iba h ALA 21 N 1.72 1.12 0.00 3.17 0.00 -0.88 -1.39 119.26 123.00 1iba h ALA 21 Ca 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1iba h ALA 21 Cb 2.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1iba h ALA 21 CO -0.52 0.61 0.35 0.00 0.00 0.00 0.00 179.25 179.68 1iba n ALA 22 N -2.45 0.51 0.00 0.00 0.00 0.42 -1.25 120.51 117.74 1iba n ALA 22 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1iba n ALA 22 Cb 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1iba n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1iba n PHE 23 N -1.84 -0.60 0.20 0.00 7.35 -1.10 -4.64 117.46 116.83 1iba n PHE 23 Ca -0.01 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.75 1iba n PHE 23 Cb 0.36 0.41 0.41 0.00 0.35 0.00 0.00 39.48 41.01 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 -1.03 7.13 0.00 -1.39 -3.00 103.07 104.77 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 -0.02 0.41 3.57 4.60 0.00 -0.38 -4.66 105.19 108.72 1iba n GLY 25 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.96 2.74 0.34 1.61 -0.14 -0.82 -4.75 119.74 116.76 1iba s LYS 26 Ca 0.34 -0.80 0.04 0.00 -1.36 0.00 0.00 55.97 54.19 1iba s LYS 26 Cb 0.20 -5.19 0.61 0.00 -1.68 0.00 0.00 37.83 31.78 1iba s LYS 26 CO 0.32 -3.39 1.92 1.05 -0.76 0.00 0.00 175.35 174.48 1iba h GLU 27 N 10.34 0.62 -1.64 1.68 4.11 -1.88 -2.43 114.58 125.38 1iba h GLU 27 Ca 0.17 -0.10 0.48 0.00 0.07 0.00 0.00 59.36 59.98 1iba h GLU 27 Cb 0.97 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1iba h GLU 27 CO 1.25 0.55 1.22 -0.97 0.07 0.00 0.00 179.01 181.13 1iba h ASN 28 N 0.61 0.00 0.00 3.06 -1.24 -1.98 -3.44 115.58 112.59 1iba h ASN 28 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1iba h ASN 28 Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1iba h ASN 28 CO -0.01 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.75 1iba n ILE 29 N -3.96 0.00 -0.06 2.57 -0.00 -0.92 -5.03 119.36 111.96 1iba n ILE 29 Ca 0.37 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 63.00 1iba n ILE 29 Cb 1.72 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 41.32 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 0.00 1.09 -3.35 1.39 5.66 -1.26 -5.05 114.28 112.76 1iba n THR 30 Ca 0.00 -0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 60.90 1iba n THR 30 Cb 0.00 -1.85 -0.08 0.00 -1.55 0.00 0.00 70.33 66.86 1iba n THR 30 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1iba s ASN 31 N -6.20 0.25 0.30 1.09 -0.87 -1.18 -5.09 114.94 103.23 1iba s ASN 31 Ca -0.19 0.18 0.09 0.00 -1.57 0.00 0.00 52.86 51.36 1iba s ASN 31 Cb 0.06 1.12 -0.04 0.00 -0.02 0.00 0.00 41.25 42.36 1iba s ASN 31 CO 0.26 -0.30 0.05 -0.76 -2.57 0.00 0.00 177.10 173.77 1iba s LEU 32 N 2.55 3.18 -0.51 0.60 1.02 -1.26 -1.57 118.68 122.69 1iba s LEU 32 Ca 0.13 -0.74 0.07 0.00 0.02 0.00 0.00 54.13 53.61 1iba s LEU 32 Cb -0.15 -1.67 0.27 0.00 0.02 0.00 0.00 46.19 44.66 1iba s LEU 32 CO -0.17 -0.13 0.68 0.47 0.02 0.00 0.00 176.35 177.22 1iba n ASP 33 N -0.99 2.16 -4.75 2.29 9.92 -1.18 -4.93 116.55 119.07 1iba n ASP 33 Ca -0.05 -3.14 -0.38 0.00 -0.53 0.00 0.00 54.79 50.69 1iba n ASP 33 Cb 0.60 -0.64 0.04 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.08 2.84 0.16 2.24 0.00 -1.26 -3.65 121.76 120.02 1iba s ALA 34 Ca 0.39 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 53.42 1iba s ALA 34 Cb 0.19 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1iba s ALA 34 CO -0.07 -1.32 0.83 0.00 0.00 0.00 0.00 175.76 175.20 1iba n ILE 36 N -0.41 -0.06 -2.43 0.00 -0.00 -1.26 -1.49 119.36 113.71 1iba n ILE 36 Ca -0.08 0.46 -0.02 0.00 -0.00 0.00 0.00 62.75 63.11 1iba n ILE 36 Cb 0.61 -0.59 0.06 0.00 -0.00 0.00 0.00 39.64 39.72 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 -3.02 1.22 -3.32 7.28 -2.24 -1.26 -5.02 114.28 107.92 1iba n THR 37 Ca 0.00 -2.60 -0.05 0.00 -2.27 0.00 0.00 64.05 59.14 1iba n THR 37 Cb 0.02 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1iba n THR 37 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1iba s ARG 38 N -2.53 0.42 0.46 -0.78 3.00 -0.55 -1.34 118.95 117.63 1iba s ARG 38 Ca 0.35 0.74 0.02 0.00 -1.00 0.00 0.00 55.73 55.84 1iba s ARG 38 Cb 0.36 -0.07 0.02 0.00 0.00 0.00 0.00 34.95 35.27 1iba s ARG 38 CO -0.07 -0.59 0.16 1.47 0.00 0.00 0.00 175.30 176.27 1iba n LEU 39 N 5.39 0.00 -3.50 -0.88 -0.00 0.19 -0.09 117.00 118.11 1iba n LEU 39 Ca -0.03 -2.65 -0.14 0.00 -0.00 0.00 0.00 56.01 53.18 1iba n LEU 39 Cb 0.50 0.15 -0.04 0.00 -0.00 0.00 0.00 43.42 44.03 1iba n LEU 39 CO 0.04 -0.46 0.37 -0.13 -0.00 0.00 0.00 177.39 177.22 1iba s ARG 40 N -3.77 1.14 -0.41 1.47 0.52 -1.24 -0.45 118.95 116.22 1iba s ARG 40 Ca 0.12 -0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.25 1iba s ARG 40 Cb -0.01 0.53 0.31 0.00 0.52 0.00 0.00 34.95 36.30 1iba s ARG 40 CO 0.08 -0.43 0.67 0.28 0.02 0.00 0.00 175.30 175.92 1iba n VAL 41 N 0.24 0.00 -2.01 3.52 0.31 0.56 -3.08 118.33 117.88 1iba n VAL 41 Ca -0.18 -4.49 -0.36 0.00 -0.01 0.00 0.00 64.34 59.30 1iba n VAL 41 Cb 0.61 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.07 5.18 0.25 4.52 0.15 -0.61 -3.95 113.70 117.16 1iba s SER 42 Ca 0.39 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 57.13 1iba s SER 42 Cb 0.27 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1iba s SER 42 CO -0.09 -2.50 0.42 0.68 1.20 0.00 0.00 173.24 172.95 1iba s VAL 43 N 9.53 0.00 -0.78 4.45 -7.23 -1.26 -3.12 120.40 121.99 1iba s VAL 43 Ca 0.70 -1.53 0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1iba s VAL 43 Cb -0.12 -2.30 0.12 0.00 0.56 0.00 0.00 36.38 34.64 1iba s VAL 43 CO 0.17 0.00 0.92 0.00 -0.31 0.00 0.00 175.10 175.88 1iba n ALA 44 N -0.38 2.33 -0.92 1.32 0.00 -1.26 -4.75 120.51 116.84 1iba n ALA 44 Ca -0.01 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.38 1iba n ALA 44 Cb 0.63 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1iba n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iba n ASP 45 N 0.31 6.08 -0.35 0.00 9.92 -1.26 -4.30 116.55 126.95 1iba n ASP 45 Ca 0.06 -2.39 0.12 0.00 -0.53 0.00 0.00 54.79 52.05 1iba n ASP 45 Cb 0.26 -1.24 0.28 0.00 -0.64 0.00 0.00 41.12 39.78 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 3.83 0.00 -0.22 2.53 3.14 -1.26 -4.22 118.33 122.14 1iba n VAL 46 Ca 0.54 -0.18 0.02 0.00 -2.96 0.00 0.00 64.34 61.76 1iba n VAL 46 Cb 0.22 0.66 0.06 0.00 -1.06 0.00 0.00 33.84 33.72 1iba n VAL 46 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1iba n SER 47 N -0.38 -0.28 -0.95 6.55 2.88 -1.26 -3.25 113.62 116.93 1iba n SER 47 Ca 0.12 1.01 -0.01 0.00 -1.33 0.00 0.00 58.87 58.66 1iba n SER 47 Cb 0.39 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 -4.92 0.00 -1.46 -1.46 0.00 -1.26 -5.14 118.16 103.92 1iba n LYS 48 Ca 0.08 -1.09 -0.36 0.00 -0.00 0.00 0.00 58.31 56.94 1iba n LYS 48 Cb 0.27 0.06 0.08 0.00 -0.00 0.00 0.00 35.03 35.44 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 0.15 3.37 -2.84 0.58 3.14 -1.20 -4.92 118.33 116.60 1iba n VAL 49 Ca -0.07 -0.41 -0.40 0.00 -2.96 0.00 0.00 64.34 60.51 1iba n VAL 49 Cb 0.79 -1.20 0.01 0.00 -1.06 0.00 0.00 33.84 32.38 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 -1.70 6.58 -0.06 6.55 -0.08 -1.26 -4.75 116.55 121.83 1iba n ASP 50 Ca 0.14 -3.58 -0.14 0.00 -1.51 0.00 0.00 54.79 49.70 1iba n ASP 50 Cb 0.49 -1.12 -0.07 0.00 2.34 0.00 0.00 41.12 42.76 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 4.54 0.45 -1.35 -0.67 4.20 -1.94 -0.16 115.11 120.19 1iba h GLN 51 Ca 0.36 -0.26 0.41 0.00 0.06 0.00 0.00 58.65 59.22 1iba h GLN 51 Cb 0.46 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.16 1iba h GLN 51 CO 1.19 0.84 0.91 0.00 -0.67 0.00 0.00 178.83 181.10 1iba h ALA 52 N 0.60 2.91 0.02 3.87 0.00 -2.01 0.94 119.26 125.59 1iba h ALA 52 Ca 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1iba h ALA 52 Cb 0.79 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1iba h ALA 52 CO 0.05 -1.43 -0.45 0.78 0.00 0.00 0.00 179.25 178.21 1iba h GLY 53 N 0.11 0.04 2.00 0.00 0.00 -1.91 -3.38 103.07 99.94 1iba h GLY 53 Ca 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1iba h GLY 53 CO -0.24 0.09 0.00 -2.00 0.00 0.00 0.00 176.54 174.39 1iba h LEU 54 N -0.91 0.00 0.12 3.11 6.46 0.26 0.14 115.31 124.49 1iba h LEU 54 Ca -0.11 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.48 1iba h LEU 54 Cb 1.17 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.11 1iba h LEU 54 CO -0.04 0.00 -0.76 0.07 -0.62 0.00 0.00 178.44 177.10 1iba h LYS 55 N 0.00 0.26 0.08 1.25 5.09 -0.33 0.41 116.57 123.33 1iba h LYS 55 Ca 0.00 -0.44 -0.32 0.00 0.09 0.00 0.00 60.65 59.97 1iba h LYS 55 Cb 0.08 0.16 -0.03 0.00 0.10 0.00 0.00 32.23 32.54 1iba h LYS 55 CO 0.00 1.21 -1.78 1.57 -2.09 0.00 0.00 179.45 178.36 1iba h LYS 56 N -0.45 0.16 0.08 0.07 2.10 -1.63 -1.25 116.57 115.65 1iba h LYS 56 Ca -0.14 -0.28 -0.29 0.00 -2.00 0.00 0.00 60.65 57.94 1iba h LYS 56 Cb 1.57 0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.99 1iba h LYS 56 CO 0.13 0.93 -1.59 1.25 -2.00 0.00 0.00 179.45 178.17 1iba h LEU 57 N 0.04 0.25 0.00 7.07 7.12 -0.91 -3.42 115.31 125.46 1iba h LEU 57 Ca -0.33 -0.77 -0.01 0.00 0.13 0.00 0.00 57.88 56.90 1iba h LEU 57 Cb 2.02 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 42.07 1iba h LEU 57 CO 0.10 1.67 -0.12 1.23 -0.13 0.00 0.00 178.44 181.19 1iba h GLY 58 N 0.08 0.00 0.00 3.75 0.00 -1.20 -3.47 103.07 102.22 1iba h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1iba h GLY 58 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 1iba n ALA 59 N -2.84 0.00 -2.78 3.60 0.00 0.13 -4.91 120.51 113.72 1iba n ALA 59 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 1iba n ALA 59 Cb 0.22 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.71 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 2.79 0.00 0.00 0.00 0.15 -4.16 120.51 116.30 1iba n ALA 60 Ca 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1iba n ALA 60 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.58 3.00 3.51 0.00 0.00 -0.58 -4.70 105.19 105.83 1iba n GLY 61 Ca 0.10 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 1.21 -0.01 1.61 -7.23 -1.26 0.39 120.40 115.10 1iba s VAL 62 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1iba s VAL 62 Cb 0.00 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.25 1iba s VAL 62 CO 0.00 0.00 0.02 0.68 -0.31 0.00 0.00 175.10 175.49 1iba s VAL 63 N -3.17 -0.03 -0.19 1.32 -7.23 -0.01 -4.97 120.40 106.12 1iba s VAL 63 Ca 0.32 0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.56 1iba s VAL 63 Cb 0.07 -0.06 -0.03 0.00 0.56 0.00 0.00 36.38 36.93 1iba s VAL 63 CO 0.15 0.05 0.02 -0.69 -0.31 0.00 0.00 175.10 174.32 1iba s VAL 64 N 0.61 4.27 -0.36 1.32 1.01 -1.26 -1.11 120.40 124.88 1iba s VAL 64 Ca -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1iba s VAL 64 Cb -0.07 -2.92 0.14 0.00 0.00 0.00 0.00 36.38 33.52 1iba s VAL 64 CO -0.02 0.44 0.21 0.00 0.00 0.00 0.00 175.10 175.73 1iba s ALA 65 N 0.70 1.03 -0.22 5.51 0.00 -0.06 -5.02 121.76 123.70 1iba s ALA 65 Ca 0.01 -1.88 -0.20 0.00 0.00 0.00 0.00 51.96 49.89 1iba s ALA 65 Cb -0.14 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1iba s ALA 65 CO 0.02 -2.07 0.90 0.41 0.00 0.00 0.00 175.76 175.02 1iba n GLY 66 N 4.08 -0.03 0.00 0.00 0.00 -1.26 0.53 105.19 108.51 1iba n GLY 66 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1iba n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iba n SER 67 N 2.99 0.00 -3.61 1.61 2.88 -1.26 -5.08 113.62 111.14 1iba n SER 67 Ca 0.22 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1iba n SER 67 Cb -0.02 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.43 1iba n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1iba s GLY 68 N -1.76 -0.31 -0.01 0.46 0.00 0.19 -4.85 107.32 101.04 1iba s GLY 68 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.23 1iba s GLY 68 CO 0.00 0.46 -0.00 0.14 0.00 0.00 0.00 173.10 173.69 1iba s VAL 69 N -2.16 0.11 0.13 1.40 1.01 -1.25 -0.88 120.40 118.75 1iba s VAL 69 Ca 0.12 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1iba s VAL 69 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1iba s VAL 69 CO -0.04 0.08 0.03 -1.58 0.00 0.00 0.00 175.10 173.59 1iba s GLN 70 N 0.47 2.59 -0.05 2.72 0.74 -0.26 -0.32 119.66 125.55 1iba s GLN 70 Ca -0.04 -0.92 -0.02 0.00 0.05 0.00 0.00 55.36 54.43 1iba s GLN 70 Cb -0.07 -2.52 0.04 0.00 1.10 0.00 0.00 33.01 31.56 1iba s GLN 70 CO -0.01 0.50 0.11 0.00 -0.55 0.00 0.00 175.29 175.34 1iba s ALA 71 N -1.53 -0.08 -0.10 1.58 0.00 0.41 -0.83 121.76 121.20 1iba s ALA 71 Ca 0.28 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1iba s ALA 71 Cb -0.11 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1iba s ALA 71 CO 0.20 -0.28 -0.14 0.42 0.00 0.00 0.00 175.76 175.96 1iba s ILE 72 N 1.53 1.39 -0.52 0.00 1.09 0.16 0.55 121.20 125.39 1iba s ILE 72 Ca -0.05 -0.57 0.04 0.00 -1.10 0.00 0.00 60.65 58.97 1iba s ILE 72 Cb -0.12 -1.28 0.41 0.00 -1.06 0.00 0.00 42.46 40.41 1iba s ILE 72 CO -0.05 0.42 1.29 2.22 -0.10 0.00 0.00 174.94 178.72 1iba n PHE 73 N 4.23 3.34 -3.44 3.97 -1.74 -0.45 0.35 117.46 123.71 1iba n PHE 73 Ca -0.19 -2.96 -0.19 0.00 -0.56 0.00 0.00 57.45 53.55 1iba n PHE 73 Cb 0.51 -0.30 -0.01 0.00 1.52 0.00 0.00 39.48 41.20 1iba n PHE 73 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1iba s GLY 74 N -3.05 1.67 0.00 4.97 0.00 -1.14 -3.03 107.32 106.73 1iba s GLY 74 Ca 0.49 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1iba s GLY 74 CO -0.24 -1.42 0.00 2.41 0.00 0.00 0.00 173.10 173.86 1iba n THR 75 N -1.64 0.00 -2.84 0.90 -1.04 -1.26 -4.47 114.28 103.93 1iba n THR 75 Ca 0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.91 1iba n THR 75 Cb 0.58 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.14 1iba n THR 75 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1iba n LYS 76 N 0.00 1.07 0.21 -2.82 0.00 -1.26 -4.99 118.16 110.38 1iba n LYS 76 Ca 0.00 -2.69 -0.14 0.00 -0.00 0.00 0.00 58.31 55.48 1iba n LYS 76 Cb 0.00 -1.08 -0.08 0.00 -0.00 0.00 0.00 35.03 33.87 1iba n LYS 76 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1iba h SER 77 N 2.79 -0.46 -0.93 -5.58 0.02 -1.76 -1.44 113.55 106.21 1iba h SER 77 Ca -0.08 -0.10 0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1iba h SER 77 Cb 1.12 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 1iba h SER 77 CO 0.30 -0.16 0.56 0.44 -1.14 0.00 0.00 176.83 176.83 1iba h ASP 78 N -0.77 0.81 -0.51 3.07 3.32 -1.94 0.80 116.42 121.20 1iba h ASP 78 Ca -0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1iba h ASP 78 Cb 0.52 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1iba h ASP 78 CO 0.09 0.44 0.30 -1.13 -1.72 0.00 0.00 179.24 177.22 1iba h ASN 79 N 0.90 0.63 0.19 6.45 -1.24 -1.92 0.33 115.58 120.91 1iba h ASN 79 Ca 0.46 -0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 1iba h ASN 79 Cb 0.45 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1iba h ASN 79 CO -0.26 0.51 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.23 1iba h LEU 80 N 0.69 -0.22 -1.83 0.34 -0.00 0.17 -2.40 115.31 112.07 1iba h LEU 80 Ca 0.18 0.01 0.48 0.00 -0.00 0.00 0.00 57.88 58.55 1iba h LEU 80 Cb 0.01 0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 40.64 1iba h LEU 80 CO -0.03 -0.12 1.12 0.50 -0.00 0.00 0.00 178.44 179.91 1iba h LYS 81 N -0.33 0.03 0.05 1.13 1.63 0.54 0.33 116.57 119.96 1iba h LYS 81 Ca -0.03 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1iba h LYS 81 Cb 0.20 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1iba h LYS 81 CO 0.04 0.02 -0.02 1.15 -3.45 0.00 0.00 179.45 177.19 1iba h THR 82 N 0.03 0.00 -0.82 1.00 2.02 -0.16 0.23 112.91 115.21 1iba h THR 82 Ca 0.81 -0.01 0.17 0.00 0.77 0.00 0.00 66.41 68.15 1iba h THR 82 Cb 3.06 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.41 1iba h THR 82 CO -0.12 0.00 0.54 1.05 0.37 0.00 0.00 175.52 177.36 1iba h GLU 83 N -0.08 0.41 -0.33 6.66 4.11 -0.52 0.26 114.58 125.08 1iba h GLU 83 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 1iba h GLU 83 Cb 0.05 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1iba h GLU 83 CO 0.01 0.27 0.13 0.52 0.07 0.00 0.00 179.01 180.01 1iba h MET 84 N 0.42 0.50 -0.71 1.06 2.86 -0.43 -1.98 114.93 116.65 1iba h MET 84 Ca 0.41 -0.09 0.16 0.00 -2.06 0.00 0.00 59.70 58.12 1iba h MET 84 Cb 0.97 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.44 1iba h MET 84 CO -0.14 0.50 0.07 0.22 1.06 0.00 0.00 176.91 178.61 1iba h ASP 85 N 0.39 -0.19 -0.73 1.22 3.58 0.29 0.50 116.42 121.48 1iba h ASP 85 Ca 0.11 0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.74 1iba h ASP 85 Cb 0.19 0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 1iba h ASP 85 CO -0.01 -0.11 0.48 -0.33 -2.88 0.00 0.00 179.24 176.39 1iba h GLU 86 N 0.16 0.94 -0.20 0.28 5.08 -1.05 -2.20 114.58 117.60 1iba h GLU 86 Ca 0.39 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 1iba h GLU 86 Cb 0.67 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1iba h GLU 86 CO -0.57 0.62 -0.03 1.88 -1.00 0.00 0.00 179.01 179.91 1iba h TYR 87 N 0.97 -0.07 -0.56 4.33 0.05 0.73 0.85 116.97 123.26 1iba h TYR 87 Ca 0.27 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 1iba h TYR 87 Cb -0.08 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1iba h TYR 87 CO -0.03 -0.06 0.13 0.82 -1.05 0.00 0.00 178.16 177.97 1iba h ILE 88 N 0.03 1.25 0.00 -2.88 5.03 -1.28 -0.92 117.51 118.73 1iba h ILE 88 Ca 0.10 -0.90 -0.04 0.00 -0.12 0.00 0.00 64.86 63.90 1iba h ILE 88 Cb 0.14 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 34.67 1iba h ILE 88 CO -0.19 0.33 -0.20 0.03 -0.68 0.00 0.00 178.15 177.44 1iba h ARG 89 N 0.81 0.00 0.00 2.37 3.08 -0.71 0.43 114.38 120.36 1iba h ARG 89 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1iba h ARG 89 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1iba h ARG 89 CO 0.00 0.20 -0.06 -0.97 -1.07 0.00 0.00 179.97 178.08 1iba h ASN 90 N 0.00 0.00 0.00 7.04 -1.24 0.17 -3.32 115.58 118.23 1iba h ASN 90 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1iba h ASN 90 Cb 0.39 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.37 1iba h ASN 90 CO 0.03 0.06 -0.42 0.33 -1.29 0.00 0.00 177.43 176.13 1iba n PHE 91 N -3.14 0.00 1.20 0.67 7.35 -0.42 -5.07 117.46 118.06 1iba n PHE 91 Ca 0.02 -0.80 0.13 0.00 -0.76 0.00 0.00 57.45 56.04 1iba n PHE 91 Cb 0.44 -0.15 0.27 0.00 0.35 0.00 0.00 39.48 40.39 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41