#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 1.37 0.04 3.04 0.00 -1.96 -0.02 119.26 121.73 1iba h ALA 16 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1iba h ALA 16 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1iba h ALA 16 CO 0.00 -0.18 -1.07 -1.00 0.00 0.00 0.00 179.25 176.99 1iba h PRO 17 N 0.55 0.55 -1.00 0.00 0.13 -1.94 -2.85 132.00 127.44 1iba h PRO 17 Ca 0.51 -0.65 0.27 0.00 -0.87 0.00 0.00 66.00 65.26 1iba h PRO 17 Cb 0.83 0.20 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 1iba h PRO 17 CO -0.43 1.26 0.69 0.00 -0.23 0.00 0.00 178.00 179.29 1iba h ALA 18 N 0.51 2.58 -0.95 -0.56 0.00 -1.79 -0.67 119.26 118.38 1iba h ALA 18 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iba h ALA 18 Cb 1.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1iba h ALA 18 CO 0.20 -0.91 0.00 -0.11 0.00 0.00 0.00 179.25 178.43 1iba n LEU 19 N -4.41 0.15 -0.53 0.00 -0.00 -0.10 -1.23 117.00 110.89 1iba n LEU 19 Ca 0.22 0.76 0.43 0.00 -0.00 0.00 0.00 56.01 57.43 1iba n LEU 19 Cb 0.94 -0.34 0.71 0.00 -0.00 0.00 0.00 43.42 44.74 1iba n LEU 19 CO 0.33 -0.34 1.29 0.55 -0.00 0.00 0.00 177.39 179.22 1iba n VAL 20 N -1.52 -0.20 -0.13 1.96 3.14 -0.85 0.13 118.33 120.85 1iba n VAL 20 Ca 0.00 1.76 -0.12 0.00 -2.96 0.00 0.00 64.34 63.02 1iba n VAL 20 Cb 0.00 -2.88 -0.02 0.00 -1.06 0.00 0.00 33.84 29.87 1iba n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1iba h ALA 21 N 1.48 0.54 -0.86 1.55 0.00 -0.96 1.42 119.26 122.43 1iba h ALA 21 Ca 0.90 -0.36 0.20 0.00 0.00 0.00 0.00 54.91 55.66 1iba h ALA 21 Cb 3.06 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 20.60 1iba h ALA 21 CO -0.38 0.48 0.34 0.00 0.00 0.00 0.00 179.25 179.69 1iba h ALA 22 N 0.81 1.30 -0.14 0.00 0.00 0.25 0.55 119.26 122.04 1iba h ALA 22 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1iba h ALA 22 Cb 0.73 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1iba h ALA 22 CO 0.05 -0.33 0.00 0.34 0.00 0.00 0.00 179.25 179.31 1iba n PHE 23 N -5.07 0.27 -2.16 0.00 7.35 -1.20 -4.67 117.46 111.98 1iba n PHE 23 Ca 0.20 -0.64 -0.00 0.00 -0.76 0.00 0.00 57.45 56.24 1iba n PHE 23 Cb 0.60 -0.10 -0.01 0.00 0.35 0.00 0.00 39.48 40.32 1iba n PHE 23 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1iba n GLY 24 N -0.38 0.75 2.62 7.13 0.00 0.49 -4.92 105.19 110.87 1iba n GLY 24 Ca 0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1iba n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iba n GLY 25 N 0.16 1.64 2.60 -0.02 0.00 0.19 -4.70 105.19 105.06 1iba n GLY 25 Ca -0.04 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.14 2.66 -0.41 1.61 4.01 -1.25 -4.80 118.16 119.84 1iba n LYS 26 Ca 0.07 -4.63 0.33 0.00 -0.51 0.00 0.00 58.31 53.57 1iba n LYS 26 Cb 0.79 -2.30 0.54 0.00 -0.51 0.00 0.00 35.03 33.55 1iba n LYS 26 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1iba n GLU 27 N 1.15 -0.02 0.20 1.97 0.28 -1.26 0.72 120.64 123.67 1iba n GLU 27 Ca 0.28 0.89 0.07 0.00 -0.16 0.00 0.00 57.16 58.24 1iba n GLU 27 Cb 0.39 -1.84 0.38 0.00 1.43 0.00 0.00 31.44 31.80 1iba n GLU 27 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1iba h ASN 28 N 0.00 0.00 0.00 -1.84 -1.24 -2.04 -3.46 115.58 107.00 1iba h ASN 28 Ca 0.67 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.68 1iba h ASN 28 Cb 2.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.37 1iba h ASN 28 CO -0.25 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.51 1iba n ILE 29 N -2.18 0.00 0.08 2.57 -0.00 0.22 -5.01 119.36 115.05 1iba n ILE 29 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1iba n ILE 29 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.04 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 0.49 -3.76 1.39 5.66 -1.26 -5.09 114.28 111.72 1iba n THR 30 Ca 0.00 0.16 -0.23 0.00 -3.05 0.00 0.00 64.05 60.93 1iba n THR 30 Cb 0.00 -1.03 -0.17 0.00 -1.55 0.00 0.00 70.33 67.58 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 -5.40 1.68 0.31 1.09 0.01 -1.16 -5.05 114.94 106.42 1iba s ASN 31 Ca 0.00 -0.15 0.06 0.00 -0.71 0.00 0.00 52.86 52.06 1iba s ASN 31 Cb 0.00 -0.42 -0.02 0.00 0.41 0.00 0.00 41.25 41.21 1iba s ASN 31 CO 0.00 -0.21 0.21 0.18 -1.51 0.00 0.00 177.10 175.77 1iba n LEU 32 N 5.16 0.00 -2.89 0.60 7.99 -1.26 -0.16 117.00 126.43 1iba n LEU 32 Ca -0.07 -2.78 -0.09 0.00 -0.01 0.00 0.00 56.01 53.06 1iba n LEU 32 Cb 0.50 1.32 -0.01 0.00 -0.11 0.00 0.00 43.42 45.11 1iba n LEU 32 CO 0.10 -0.45 0.03 0.47 -1.51 0.00 0.00 177.39 176.03 1iba n ASP 33 N -1.77 -2.78 -4.77 -1.43 8.00 -1.25 -4.91 116.55 107.64 1iba n ASP 33 Ca 0.03 -2.84 -0.34 0.00 0.71 0.00 0.00 54.79 52.35 1iba n ASP 33 Cb 0.54 1.28 0.02 0.00 -0.02 0.00 0.00 41.12 42.93 1iba n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iba s ALA 34 N 0.66 2.59 0.03 2.24 0.00 -1.26 -2.76 121.76 123.26 1iba s ALA 34 Ca 0.31 0.67 -0.27 0.00 0.00 0.00 0.00 51.96 52.67 1iba s ALA 34 Cb 0.03 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.91 1iba s ALA 34 CO -0.10 -1.00 1.22 0.00 0.00 0.00 0.00 175.76 175.88 1iba n ILE 36 N -0.76 -0.18 -2.46 0.00 -0.00 -1.26 -2.29 119.36 112.41 1iba n ILE 36 Ca -0.01 1.21 -0.01 0.00 -0.00 0.00 0.00 62.75 63.95 1iba n ILE 36 Cb 0.60 -1.56 0.06 0.00 -0.00 0.00 0.00 39.64 38.74 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 -3.54 1.12 -3.63 7.28 -1.04 -1.26 -5.03 114.28 108.18 1iba n THR 37 Ca 0.01 -2.48 -0.19 0.00 -2.04 0.00 0.00 64.05 59.34 1iba n THR 37 Cb 0.07 0.67 -0.16 0.00 -1.82 0.00 0.00 70.33 69.09 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 -2.39 0.04 -0.03 -2.82 3.00 -0.97 -1.53 118.95 114.24 1iba s ARG 38 Ca 0.34 0.35 0.02 0.00 -1.00 0.00 0.00 55.73 55.44 1iba s ARG 38 Cb 0.36 -0.76 0.01 0.00 0.00 0.00 0.00 34.95 34.56 1iba s ARG 38 CO -0.08 -0.44 -0.08 -0.48 0.00 0.00 0.00 175.30 174.23 1iba s LEU 39 N 2.25 1.66 0.42 -0.88 0.05 -0.91 0.25 118.68 121.51 1iba s LEU 39 Ca 0.04 -0.17 0.07 0.00 0.05 0.00 0.00 54.13 54.11 1iba s LEU 39 Cb -0.13 -0.53 -0.06 0.00 -2.05 0.00 0.00 46.19 43.42 1iba s LEU 39 CO -0.07 0.03 0.11 -0.13 -0.55 0.00 0.00 176.35 175.74 1iba s ARG 40 N 0.42 2.12 -0.44 1.48 1.81 -1.11 -1.07 118.95 122.16 1iba s ARG 40 Ca -0.06 -1.98 0.07 0.00 -1.72 0.00 0.00 55.73 52.04 1iba s ARG 40 Cb -0.11 -1.83 0.18 0.00 -0.45 0.00 0.00 34.95 32.75 1iba s ARG 40 CO 0.01 -0.11 0.63 0.08 -0.68 0.00 0.00 175.30 175.22 1iba s VAL 41 N -2.66 -0.89 -0.58 3.52 1.01 -0.97 -3.79 120.40 116.05 1iba s VAL 41 Ca 0.37 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 1iba s VAL 41 Cb 0.06 -0.11 0.09 0.00 0.00 0.00 0.00 36.38 36.42 1iba s VAL 41 CO 0.20 -0.10 0.72 -0.55 0.00 0.00 0.00 175.10 175.37 1iba s SER 42 N 1.44 6.20 0.15 3.32 0.15 0.77 -3.65 113.70 122.08 1iba s SER 42 Ca 0.21 -1.21 -0.02 0.00 0.70 0.00 0.00 55.95 55.63 1iba s SER 42 Cb -0.04 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1iba s SER 42 CO -0.06 -1.10 0.11 0.68 1.20 0.00 0.00 173.24 174.07 1iba s VAL 43 N 2.88 0.07 -1.84 4.45 -7.23 -1.26 -3.00 120.40 114.47 1iba s VAL 43 Ca 0.14 -1.85 0.27 0.00 -1.81 0.00 0.00 61.98 58.74 1iba s VAL 43 Cb -0.22 -2.13 0.37 0.00 0.56 0.00 0.00 36.38 34.97 1iba s VAL 43 CO 0.09 -0.32 1.68 0.00 -0.31 0.00 0.00 175.10 176.24 1iba n ALA 44 N -0.16 2.91 -0.79 1.32 0.00 -1.26 -4.40 120.51 118.14 1iba n ALA 44 Ca -0.04 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 1iba n ALA 44 Cb 0.64 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.62 4.58 -1.56 0.00 9.92 -1.26 -4.32 116.55 123.29 1iba n ASP 45 Ca 0.14 -2.37 0.07 0.00 -0.53 0.00 0.00 54.79 52.10 1iba n ASP 45 Cb 0.33 -1.10 0.33 0.00 -0.64 0.00 0.00 41.12 40.04 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 4.44 2.01 0.00 2.53 3.14 -1.26 -4.50 118.33 124.69 1iba n VAL 46 Ca 0.45 -1.10 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 1iba n VAL 46 Cb 0.16 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 0.69 0.00 -0.82 6.55 2.88 -1.26 -4.24 113.62 117.43 1iba n SER 47 Ca 0.23 0.32 0.07 0.00 -1.33 0.00 0.00 58.87 58.16 1iba n SER 47 Cb 0.94 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.59 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 -0.36 2.84 -0.98 -1.46 -0.00 -1.26 -5.07 118.16 111.87 1iba n LYS 48 Ca 0.00 -2.21 -0.35 0.00 -0.00 0.00 0.00 58.31 55.76 1iba n LYS 48 Cb 0.00 -1.35 -0.03 0.00 -0.00 0.00 0.00 35.03 33.66 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 0.79 1.15 -1.85 0.58 3.14 -1.26 -4.80 118.33 116.08 1iba n VAL 49 Ca 0.15 -0.29 -0.38 0.00 -2.96 0.00 0.00 64.34 60.86 1iba n VAL 49 Cb 0.48 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.29 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 1.33 7.40 -0.29 6.55 -0.08 -1.26 -4.67 116.55 125.52 1iba n ASP 50 Ca 0.13 -3.75 0.02 0.00 -1.51 0.00 0.00 54.79 49.67 1iba n ASP 50 Cb 0.15 -1.09 0.15 0.00 2.34 0.00 0.00 41.12 42.67 1iba n ASP 50 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1iba h GLN 51 N 2.98 0.82 -0.81 -0.67 3.07 -1.96 0.63 115.11 119.17 1iba h GLN 51 Ca 0.55 -0.05 0.19 0.00 0.09 0.00 0.00 58.65 59.43 1iba h GLN 51 Cb 0.13 -0.18 -0.05 0.00 0.08 0.00 0.00 27.48 27.45 1iba h GLN 51 CO 1.36 0.54 0.55 0.00 0.09 0.00 0.00 178.83 181.38 1iba h ALA 52 N 1.43 2.33 0.17 0.06 0.00 -1.98 0.27 119.26 121.53 1iba h ALA 52 Ca 0.38 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.02 1iba h ALA 52 Cb 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iba h ALA 52 CO -0.21 -0.57 -1.27 0.78 0.00 0.00 0.00 179.25 177.98 1iba h GLY 53 N 0.28 0.42 2.00 0.00 0.00 -1.05 -3.39 103.07 101.33 1iba h GLY 53 Ca 0.40 -1.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1iba h GLY 53 CO -0.11 0.95 -0.06 -2.00 0.00 0.00 0.00 176.54 175.32 1iba h LEU 54 N -0.15 0.00 -0.37 3.11 6.46 0.35 0.70 115.31 125.42 1iba h LEU 54 Ca -0.24 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.45 1iba h LEU 54 Cb 1.88 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1iba h LEU 54 CO 0.17 0.06 -0.02 0.07 -0.62 0.00 0.00 178.44 178.09 1iba h LYS 55 N 0.00 0.67 -0.01 1.25 -0.00 -1.32 0.51 116.57 117.67 1iba h LYS 55 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 60.65 60.42 1iba h LYS 55 Cb 0.13 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 32.31 1iba h LYS 55 CO 0.01 0.79 -0.66 0.36 -0.00 0.00 0.00 179.45 179.95 1iba n LYS 56 N -4.46 0.62 -0.01 0.07 2.85 -0.64 -1.11 118.16 115.48 1iba n LYS 56 Ca -0.01 -0.49 -0.00 0.00 -1.05 0.00 0.00 58.31 56.75 1iba n LYS 56 Cb 0.30 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 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 -0.76 0.00 -0.06 -5.58 0.00 0.24 -4.89 117.00 105.95 1iba n LEU 57 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.96 1iba n LEU 57 Cb 0.39 0.05 -0.04 0.00 0.00 0.00 0.00 43.42 43.82 1iba n LEU 57 CO 0.34 0.05 -0.91 0.61 0.00 0.00 0.00 177.39 177.48 1iba n GLY 58 N 2.56 -0.19 0.00 -3.96 0.00 0.14 -4.78 105.19 98.96 1iba n GLY 58 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.44 0.00 -2.72 4.61 0.00 0.11 -4.90 120.51 114.16 1iba n ALA 59 Ca -0.23 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 1iba n ALA 59 Cb 0.68 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.16 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 3.14 0.00 0.00 0.00 0.21 -4.06 120.51 116.80 1iba n ALA 60 Ca 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.43 1iba n ALA 60 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.25 3.74 3.18 0.00 0.00 -0.27 -4.55 105.19 107.04 1iba n GLY 61 Ca 0.09 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 0.14 -0.00 1.61 -7.23 -1.26 0.04 120.40 113.69 1iba s VAL 62 Ca 0.00 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 1iba s VAL 62 Cb 0.00 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 1iba s VAL 62 CO 0.00 -0.29 -0.08 0.68 -0.31 0.00 0.00 175.10 175.10 1iba s VAL 63 N -4.04 0.66 -0.21 1.32 -7.23 0.18 -4.95 120.40 106.12 1iba s VAL 63 Ca 0.30 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1iba s VAL 63 Cb 0.07 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.46 1iba s VAL 63 CO 0.06 0.15 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.20 1iba s VAL 64 N -0.27 2.81 -0.19 1.32 1.01 -1.26 -0.74 120.40 123.07 1iba s VAL 64 Ca 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1iba s VAL 64 Cb -0.04 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.12 1iba s VAL 64 CO -0.00 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.48 1iba s ALA 65 N 1.39 1.68 -0.34 5.51 0.00 -0.18 -5.02 121.76 124.80 1iba s ALA 65 Ca 0.05 -1.03 -0.40 0.00 0.00 0.00 0.00 51.96 50.58 1iba s ALA 65 Cb -0.14 -1.23 -0.15 0.00 0.00 0.00 0.00 23.12 21.59 1iba s ALA 65 CO -0.07 -0.91 1.90 0.41 0.00 0.00 0.00 175.76 177.09 1iba n GLY 66 N 4.80 0.60 0.00 0.00 0.00 -1.26 0.63 105.19 109.96 1iba n GLY 66 Ca -0.12 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 6.71 0.00 -3.64 1.61 3.41 -1.26 -5.08 113.62 115.36 1iba n SER 67 Ca 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.94 1iba n SER 67 Cb 0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 1iba n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1iba s GLY 68 N -0.76 -0.22 0.11 5.00 0.00 0.21 -4.78 107.32 106.87 1iba s GLY 68 Ca 0.00 1.85 0.05 0.00 0.00 0.00 0.00 44.72 46.62 1iba s GLY 68 CO 0.00 0.60 -0.13 0.14 0.00 0.00 0.00 173.10 173.71 1iba s VAL 69 N -2.01 1.18 -0.11 1.40 1.01 -1.24 -1.01 120.40 119.62 1iba s VAL 69 Ca 0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 1iba s VAL 69 Cb -0.00 -1.44 0.05 0.00 0.00 0.00 0.00 36.38 34.99 1iba s VAL 69 CO -0.03 -0.45 0.07 -1.10 0.00 0.00 0.00 175.10 173.59 1iba s GLN 70 N -2.64 0.09 0.18 2.72 -0.21 0.08 -2.29 119.66 117.58 1iba s GLN 70 Ca 0.07 0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.58 1iba s GLN 70 Cb -0.05 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.68 1iba s GLN 70 CO 0.02 -0.50 0.29 0.00 -2.12 0.00 0.00 175.29 172.98 1iba s ALA 71 N 2.12 3.92 -0.10 6.09 0.00 -0.23 0.47 121.76 134.03 1iba s ALA 71 Ca 0.03 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 1iba s ALA 71 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.28 1iba s ALA 71 CO -0.06 0.45 0.27 -1.50 0.00 0.00 0.00 175.76 174.92 1iba s ILE 72 N -1.82 0.00 -0.25 0.00 1.10 0.11 -2.15 121.20 118.19 1iba s ILE 72 Ca 0.34 -0.03 0.12 0.00 -0.51 0.00 0.00 60.65 60.57 1iba s ILE 72 Cb -0.10 -0.40 0.46 0.00 0.15 0.00 0.00 42.46 42.57 1iba s ILE 72 CO 0.28 -0.02 1.18 2.22 -2.11 0.00 0.00 174.94 176.49 1iba n PHE 73 N 2.85 1.83 -2.54 3.50 -1.74 -0.58 0.65 117.46 121.42 1iba n PHE 73 Ca -0.13 -1.99 -0.36 0.00 -0.56 0.00 0.00 57.45 54.41 1iba n PHE 73 Cb 0.58 -0.29 0.01 0.00 1.52 0.00 0.00 39.48 41.30 1iba n PHE 73 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1iba n GLY 74 N -0.68 5.87 0.64 4.97 0.00 -1.25 -3.08 105.19 111.66 1iba n GLY 74 Ca 0.30 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.26 0.00 -2.83 2.61 -1.04 -1.26 -4.94 114.28 106.56 1iba n THR 75 Ca 0.44 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.28 1iba n THR 75 Cb 0.33 -0.09 -0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1iba n THR 75 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1iba n LYS 76 N -1.82 1.63 -0.25 -2.82 4.01 -1.26 -4.96 118.16 112.69 1iba n LYS 76 Ca 0.00 -3.64 0.05 0.00 -0.51 0.00 0.00 58.31 54.21 1iba n LYS 76 Cb 0.00 -1.64 0.18 0.00 -0.51 0.00 0.00 35.03 33.07 1iba n LYS 76 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1iba h SER 77 N 2.94 0.25 -0.68 4.39 4.64 -1.90 0.00 113.55 123.19 1iba h SER 77 Ca 0.04 0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1iba h SER 77 Cb 1.00 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1iba h SER 77 CO 0.58 0.09 0.28 0.44 -0.87 0.00 0.00 176.83 177.35 1iba h ASP 78 N 0.42 0.92 -0.33 4.97 5.19 -1.93 0.65 116.42 126.31 1iba h ASP 78 Ca 0.41 -0.16 -0.16 0.00 -0.62 0.00 0.00 57.03 56.49 1iba h ASP 78 Cb 0.63 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 1iba h ASP 78 CO -0.41 0.83 -0.43 -1.13 -3.12 0.00 0.00 179.24 174.98 1iba h ASN 79 N 0.95 0.97 1.02 6.45 -0.73 -1.69 0.34 115.58 122.89 1iba h ASN 79 Ca 0.23 -0.46 -0.07 0.00 1.87 0.00 0.00 56.30 57.87 1iba h ASN 79 Cb 0.19 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1iba h ASN 79 CO -0.02 1.26 -0.33 -0.07 -0.37 0.00 0.00 177.43 177.90 1iba h LEU 80 N 0.72 0.00 0.01 0.34 -0.00 -0.80 -2.60 115.31 112.99 1iba h LEU 80 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.66 1iba h LEU 80 Cb 1.02 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.69 1iba h LEU 80 CO 0.10 0.33 -1.14 0.50 -0.00 0.00 0.00 178.44 178.23 1iba h LYS 81 N 0.00 0.48 0.51 1.13 1.63 0.60 -3.15 116.57 117.77 1iba h LYS 81 Ca -0.00 -0.62 -0.01 0.00 -0.85 0.00 0.00 60.65 59.16 1iba h LYS 81 Cb 0.93 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.73 1iba h LYS 81 CO 0.04 1.25 -0.49 1.15 -3.45 0.00 0.00 179.45 177.96 1iba h THR 82 N 0.22 0.04 -0.78 1.00 2.02 0.03 0.39 112.91 115.85 1iba h THR 82 Ca -0.14 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.23 1iba h THR 82 Cb 1.80 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 1iba h THR 82 CO 0.20 0.00 0.53 1.05 0.37 0.00 0.00 175.52 177.68 1iba h GLU 83 N -1.00 0.23 -0.09 6.66 4.11 -1.62 -0.36 114.58 122.52 1iba h GLU 83 Ca -0.06 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 1iba h GLU 83 Cb 0.86 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1iba h GLU 83 CO -0.05 0.15 -0.16 0.52 0.07 0.00 0.00 179.01 179.54 1iba h MET 84 N 0.24 0.27 -0.82 1.06 2.86 -1.13 -2.82 114.93 114.58 1iba h MET 84 Ca 0.38 -0.17 0.16 0.00 -2.06 0.00 0.00 59.70 58.02 1iba h MET 84 Cb 1.15 0.02 -0.16 0.00 0.06 0.00 0.00 31.60 32.67 1iba h MET 84 CO -0.09 0.75 -0.21 0.22 1.06 0.00 0.00 176.91 178.65 1iba h ASP 85 N -0.18 -0.76 -0.82 1.22 3.58 0.13 0.74 116.42 120.33 1iba h ASP 85 Ca 0.01 0.25 0.17 0.00 0.42 0.00 0.00 57.03 57.87 1iba h ASP 85 Cb 0.73 0.51 -0.11 0.00 1.72 0.00 0.00 39.33 42.18 1iba h ASP 85 CO 0.04 -0.27 0.33 -0.33 -2.88 0.00 0.00 179.24 176.12 1iba h GLU 86 N -0.00 0.41 -0.08 0.28 4.39 -0.99 -1.19 114.58 117.40 1iba h GLU 86 Ca 0.39 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.10 1iba h GLU 86 Cb 0.60 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1iba h GLU 86 CO -0.84 0.27 -0.12 0.10 -1.16 0.00 0.00 179.01 177.26 1iba h TYR 87 N 0.42 -0.30 -0.47 4.33 -0.00 0.73 0.88 116.97 122.55 1iba h TYR 87 Ca 0.47 0.02 -0.04 0.00 0.00 0.00 0.00 58.73 59.17 1iba h TYR 87 Cb 0.80 0.15 -0.02 0.00 0.00 0.00 0.00 36.73 37.65 1iba h TYR 87 CO -0.17 -0.18 0.12 0.82 -0.00 0.00 0.00 178.16 178.75 1iba h ILE 88 N -0.17 1.24 -0.27 -0.90 5.03 -1.19 0.80 117.51 122.05 1iba h ILE 88 Ca 0.07 -0.82 -0.03 0.00 -0.12 0.00 0.00 64.86 63.96 1iba h ILE 88 Cb 0.27 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 1iba h ILE 88 CO -0.18 0.29 0.03 0.03 -0.68 0.00 0.00 178.15 177.64 1iba h ARG 89 N 0.63 0.39 0.00 2.37 3.08 -0.76 0.38 114.38 120.47 1iba h ARG 89 Ca 0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1iba h ARG 89 Cb 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1iba h ARG 89 CO 0.00 0.40 -0.10 -0.97 -1.07 0.00 0.00 179.97 178.23 1iba h ASN 90 N 0.39 0.00 -0.54 7.04 -1.24 0.20 -3.33 115.58 118.10 1iba h ASN 90 Ca 0.09 -0.01 -0.37 0.00 0.71 0.00 0.00 56.30 56.73 1iba h ASN 90 Cb 0.21 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 38.87 1iba h ASN 90 CO 0.00 0.00 -0.96 0.33 -1.29 0.00 0.00 177.43 175.52 1iba n PHE 91 N -2.82 1.82 0.34 0.67 7.35 0.27 -5.04 117.46 120.05 1iba n PHE 91 Ca 0.04 -2.08 0.03 0.00 -0.76 0.00 0.00 57.45 54.68 1iba n PHE 91 Cb 0.50 -0.28 0.16 0.00 0.35 0.00 0.00 39.48 40.22 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41