#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 1.31 -0.00 3.04 0.00 -2.01 0.19 119.26 121.78 1iba h ALA 16 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1iba h ALA 16 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1iba h ALA 16 CO 0.00 0.11 -0.65 -1.00 0.00 0.00 0.00 179.25 177.71 1iba h PRO 17 N 0.83 0.02 -0.37 0.00 0.13 -1.94 -2.76 132.00 127.90 1iba h PRO 17 Ca 0.44 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.58 1iba h PRO 17 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1iba h PRO 17 CO -0.27 0.66 0.25 0.00 -0.23 0.00 0.00 178.00 178.40 1iba h ALA 18 N 1.34 1.80 0.32 -0.56 0.00 -1.41 -2.40 119.26 118.34 1iba h ALA 18 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1iba h ALA 18 Cb 1.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iba h ALA 18 CO 0.09 0.17 -0.17 1.25 0.00 0.00 0.00 179.25 180.59 1iba h LEU 19 N 0.45 -0.41 -1.34 0.00 7.12 -0.43 0.14 115.31 120.83 1iba h LEU 19 Ca 0.14 0.02 0.33 0.00 0.13 0.00 0.00 57.88 58.50 1iba h LEU 19 Cb 0.03 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.16 1iba h LEU 19 CO -0.03 -0.28 0.72 1.62 -0.13 0.00 0.00 178.44 180.34 1iba h VAL 20 N -0.45 0.36 -0.52 1.05 3.04 -1.58 0.57 116.25 118.73 1iba h VAL 20 Ca -0.04 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.49 1iba h VAL 20 Cb 0.35 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.66 1iba h VAL 20 CO 0.06 0.05 0.09 0.00 -1.01 0.00 0.00 177.57 176.76 1iba h ALA 21 N 1.64 1.18 -0.09 3.17 0.00 -0.80 0.92 119.26 125.29 1iba h ALA 21 Ca 0.69 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.40 1iba h ALA 21 Cb 1.89 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1iba h ALA 21 CO -0.37 0.55 0.20 0.00 0.00 0.00 0.00 179.25 179.63 1iba h ALA 22 N 1.32 1.46 0.00 0.00 0.00 0.29 -0.04 119.26 122.28 1iba h ALA 22 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iba h ALA 22 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1iba h ALA 22 CO 0.00 -0.24 -0.33 0.34 0.00 0.00 0.00 179.25 179.02 1iba n PHE 23 N -3.32 0.00 0.23 0.00 7.35 -1.15 -4.62 117.46 115.95 1iba n PHE 23 Ca -0.01 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.80 1iba n PHE 23 Cb 0.29 0.20 0.49 0.00 0.35 0.00 0.00 39.48 40.81 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 -1.93 7.13 0.00 -0.98 -2.98 103.07 104.31 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 0.21 1.45 3.49 4.60 0.00 -0.05 -4.64 105.19 110.26 1iba n GLY 25 Ca 0.01 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 1.04 3.22 -0.10 1.61 4.76 -1.11 -4.78 118.16 122.81 1iba n LYS 26 Ca 0.18 -3.36 0.10 0.00 -2.87 0.00 0.00 58.31 52.35 1iba n LYS 26 Cb 0.45 -3.38 0.46 0.00 -1.84 0.00 0.00 35.03 30.71 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 7.35 0.49 -1.26 1.97 4.11 -1.88 -1.33 114.58 124.03 1iba h GLU 27 Ca 0.43 -0.03 0.37 0.00 0.07 0.00 0.00 59.36 60.20 1iba h GLU 27 Cb 0.85 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1iba h GLU 27 CO 1.44 0.32 1.02 -0.97 0.07 0.00 0.00 179.01 180.90 1iba h ASN 28 N 0.50 0.00 0.00 3.06 -1.24 -1.98 -3.45 115.58 112.47 1iba h ASN 28 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1iba h ASN 28 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1iba h ASN 28 CO -0.08 0.00 0.00 -0.38 -1.29 0.00 0.00 177.43 175.68 1iba n ILE 29 N -3.87 0.00 -0.05 2.57 -0.00 -0.50 -5.02 119.36 112.48 1iba n ILE 29 Ca 0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.97 1iba n ILE 29 Cb 1.42 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 41.04 1iba n ILE 29 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iba n THR 30 N 0.00 1.19 -3.50 1.39 -2.24 -1.26 -5.02 114.28 104.84 1iba n THR 30 Ca 0.00 0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.79 1iba n THR 30 Cb 0.00 -2.06 -0.13 0.00 -2.10 0.00 0.00 70.33 66.04 1iba n THR 30 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1iba s ASN 31 N -5.62 2.23 0.32 3.42 0.01 -1.21 -5.10 114.94 108.99 1iba s ASN 31 Ca -0.19 -0.73 0.08 0.00 -0.71 0.00 0.00 52.86 51.31 1iba s ASN 31 Cb 0.03 0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 1iba s ASN 31 CO 0.28 -0.38 0.19 -0.76 -1.51 0.00 0.00 177.10 174.93 1iba s LEU 32 N 2.24 3.48 -0.47 0.60 1.02 -1.26 -1.94 118.68 122.34 1iba s LEU 32 Ca 0.07 -0.57 0.08 0.00 0.02 0.00 0.00 54.13 53.73 1iba s LEU 32 Cb -0.15 -2.02 0.26 0.00 0.02 0.00 0.00 46.19 44.30 1iba s LEU 32 CO -0.24 -0.25 0.62 0.47 0.02 0.00 0.00 176.35 176.97 1iba n ASP 33 N -1.21 1.45 -4.76 2.29 8.00 -1.22 -4.94 116.55 116.16 1iba n ASP 33 Ca -0.04 -2.97 -0.39 0.00 0.71 0.00 0.00 54.79 52.10 1iba n ASP 33 Cb 0.60 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.73 3.05 0.20 2.24 0.00 -1.26 -2.86 121.76 121.41 1iba s ALA 34 Ca 0.37 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 1iba s ALA 34 Cb 0.18 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1iba s ALA 34 CO -0.08 -1.03 0.83 0.00 0.00 0.00 0.00 175.76 175.49 1iba n ILE 36 N -0.45 -0.01 -2.31 0.00 -0.00 -1.26 -1.71 119.36 113.61 1iba n ILE 36 Ca -0.06 0.48 -0.04 0.00 -0.00 0.00 0.00 62.75 63.14 1iba n ILE 36 Cb 0.60 -0.64 0.07 0.00 -0.00 0.00 0.00 39.64 39.67 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 -2.44 1.44 -3.34 7.28 -2.24 -1.26 -4.99 114.28 108.72 1iba n THR 37 Ca 0.00 -2.81 -0.11 0.00 -2.27 0.00 0.00 64.05 58.85 1iba n THR 37 Cb 0.01 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.68 0.37 0.01 -0.78 3.00 -0.70 -0.63 118.95 117.55 1iba s ARG 38 Ca 0.37 0.17 0.09 0.00 -1.00 0.00 0.00 55.73 55.35 1iba s ARG 38 Cb 0.37 -0.46 -0.02 0.00 0.00 0.00 0.00 34.95 34.83 1iba s ARG 38 CO -0.06 -0.92 -0.26 -0.48 0.00 0.00 0.00 175.30 173.58 1iba s LEU 39 N 2.49 2.11 0.34 -0.88 0.05 -0.95 -0.48 118.68 121.36 1iba s LEU 39 Ca 0.10 -0.53 0.07 0.00 0.05 0.00 0.00 54.13 53.82 1iba s LEU 39 Cb -0.14 -1.30 -0.07 0.00 -2.05 0.00 0.00 46.19 42.64 1iba s LEU 39 CO -0.27 0.28 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.67 1iba s ARG 40 N -0.93 1.76 -0.37 1.48 1.81 -1.13 -2.14 118.95 119.42 1iba s ARG 40 Ca 0.11 -1.95 0.13 0.00 -1.72 0.00 0.00 55.73 52.30 1iba s ARG 40 Cb -0.10 -1.37 0.37 0.00 -0.45 0.00 0.00 34.95 33.40 1iba s ARG 40 CO 0.01 -0.01 0.83 0.28 -0.68 0.00 0.00 175.30 175.72 1iba n VAL 41 N -0.77 0.09 -2.16 3.52 0.31 -0.67 -3.36 118.33 115.29 1iba n VAL 41 Ca -0.05 -3.90 -0.30 0.00 -0.01 0.00 0.00 64.34 60.09 1iba n VAL 41 Cb 0.65 0.13 -0.05 0.00 -0.91 0.00 0.00 33.84 33.66 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 -2.43 5.42 0.02 4.52 0.15 -0.82 -4.06 113.70 116.51 1iba s SER 42 Ca 0.35 -0.97 -0.06 0.00 0.70 0.00 0.00 55.95 55.97 1iba s SER 42 Cb 0.37 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.11 1iba s SER 42 CO -0.05 -2.51 0.11 0.68 1.20 0.00 0.00 173.24 172.66 1iba s VAL 43 N 9.10 0.11 -1.35 4.45 -7.23 -1.26 -3.33 120.40 120.89 1iba s VAL 43 Ca 0.65 -0.93 0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1iba s VAL 43 Cb -0.05 -0.68 0.36 0.00 0.56 0.00 0.00 36.38 36.58 1iba s VAL 43 CO -0.01 -0.51 1.87 0.00 -0.31 0.00 0.00 175.10 176.14 1iba n ALA 44 N 1.07 2.68 -0.98 1.32 0.00 -1.26 -4.43 120.51 118.91 1iba n ALA 44 Ca -0.21 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 1iba n ALA 44 Cb 0.57 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1iba n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iba n ASP 45 N -1.24 2.57 -1.55 0.00 2.03 -1.26 -4.44 116.55 112.66 1iba n ASP 45 Ca 0.11 -2.59 -0.12 0.00 0.52 0.00 0.00 54.79 52.72 1iba n ASP 45 Cb 0.29 -1.01 0.18 0.00 -0.72 0.00 0.00 41.12 39.86 1iba n ASP 45 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1iba n VAL 46 N 5.85 2.79 0.00 5.18 3.14 -1.26 -4.64 118.33 129.39 1iba n VAL 46 Ca 0.47 -2.57 0.00 0.00 -2.96 0.00 0.00 64.34 59.28 1iba n VAL 46 Cb 0.36 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 -1.12 0.00 -1.05 6.55 2.88 -1.26 -4.43 113.62 115.20 1iba n SER 47 Ca 0.43 0.09 0.12 0.00 -1.33 0.00 0.00 58.87 58.17 1iba n SER 47 Cb 1.21 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.91 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 -0.25 2.37 -1.40 -1.46 -0.00 -1.26 -5.04 118.16 111.12 1iba n LYS 48 Ca 0.00 -2.07 -0.47 0.00 -0.00 0.00 0.00 58.31 55.77 1iba n LYS 48 Cb 0.00 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 33.51 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 1.28 1.80 -1.90 0.58 3.14 -1.26 -4.81 118.33 117.17 1iba n VAL 49 Ca 0.19 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.71 1iba n VAL 49 Cb 0.56 -0.09 -0.00 0.00 -1.06 0.00 0.00 33.84 33.24 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 1.97 7.22 -0.13 6.55 5.68 -1.26 -4.66 116.55 131.91 1iba n ASP 50 Ca 0.16 -3.48 -0.09 0.00 -0.50 0.00 0.00 54.79 50.88 1iba n ASP 50 Cb 0.28 -1.19 -0.01 0.00 -1.14 0.00 0.00 41.12 39.06 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 3.44 0.60 -1.38 0.11 4.20 -1.94 0.45 115.11 120.59 1iba h GLN 51 Ca 0.52 -0.11 0.41 0.00 0.06 0.00 0.00 58.65 59.53 1iba h GLN 51 Cb 0.36 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 1iba h GLN 51 CO 1.21 0.57 0.95 0.00 -0.67 0.00 0.00 178.83 180.89 1iba h ALA 52 N 1.00 3.06 0.07 3.87 0.00 -1.99 0.57 119.26 125.83 1iba h ALA 52 Ca 0.13 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1iba h ALA 52 Cb 0.20 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iba h ALA 52 CO -0.01 -1.53 -1.80 0.41 0.00 0.00 0.00 179.25 176.32 1iba n GLY 53 N -1.70 -0.64 0.30 0.00 0.00 -0.64 -4.36 105.19 98.16 1iba n GLY 53 Ca 0.33 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.39 1iba n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iba h LEU 54 N -0.38 0.00 -0.11 0.99 6.46 0.28 0.28 115.31 122.83 1iba h LEU 54 Ca -0.43 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 1iba h LEU 54 Cb 1.74 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1iba h LEU 54 CO -0.06 0.01 -0.10 0.07 -0.62 0.00 0.00 178.44 177.74 1iba h LYS 55 N 0.00 0.25 0.11 1.25 5.09 -0.21 0.42 116.57 123.48 1iba h LYS 55 Ca -0.00 -0.13 -0.36 0.00 0.09 0.00 0.00 60.65 60.25 1iba h LYS 55 Cb 0.04 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.35 1iba h LYS 55 CO 0.00 0.66 -1.97 0.36 -2.09 0.00 0.00 179.45 176.41 1iba n LYS 56 N -4.65 0.75 0.04 0.07 2.85 -1.04 -1.66 118.16 114.51 1iba n LYS 56 Ca -0.07 0.26 -0.20 0.00 -1.05 0.00 0.00 58.31 57.25 1iba n LYS 56 Cb 0.32 -1.72 -0.14 0.00 -0.65 0.00 0.00 35.03 32.84 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 0.06 0.46 0.00 -5.58 6.46 -0.59 -3.40 115.31 112.72 1iba h LEU 57 Ca -0.41 -0.82 -0.08 0.00 -0.12 0.00 0.00 57.88 56.45 1iba h LEU 57 Cb 2.03 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1iba h LEU 57 CO 0.09 1.71 -0.48 1.23 -0.62 0.00 0.00 178.44 180.37 1iba h GLY 58 N 1.20 0.00 0.00 3.75 0.00 -0.93 -3.48 103.07 103.62 1iba h GLY 58 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1iba h GLY 58 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.67 1iba n ALA 59 N -3.00 0.00 -2.36 3.60 0.00 0.13 -4.90 120.51 113.98 1iba n ALA 59 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1iba n ALA 59 Cb 0.47 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.97 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 3.66 0.00 0.00 0.00 0.19 -4.03 120.51 117.32 1iba n ALA 60 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.25 1iba n ALA 60 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.59 3.38 3.39 0.00 0.00 -0.66 -4.73 105.19 105.98 1iba n GLY 61 Ca 0.23 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 0.46 -0.11 1.61 -7.23 -1.26 -0.20 120.40 113.67 1iba s VAL 62 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1iba s VAL 62 Cb 0.00 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.49 1iba s VAL 62 CO 0.00 0.00 0.26 0.54 -0.31 0.00 0.00 175.10 175.59 1iba s VAL 63 N -3.45 -0.02 -0.14 1.32 0.11 0.10 -4.97 120.40 113.35 1iba s VAL 63 Ca 0.33 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1iba s VAL 63 Cb 0.04 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1iba s VAL 63 CO 0.17 0.04 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.28 1iba s VAL 64 N 0.83 4.22 -0.39 2.04 1.01 -1.26 -0.69 120.40 126.16 1iba s VAL 64 Ca -0.06 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1iba s VAL 64 Cb -0.07 -2.84 0.16 0.00 0.00 0.00 0.00 36.38 33.63 1iba s VAL 64 CO -0.05 0.53 0.35 0.00 0.00 0.00 0.00 175.10 175.92 1iba s ALA 65 N -0.07 0.43 -0.12 5.51 0.00 0.41 -5.00 121.76 122.92 1iba s ALA 65 Ca 0.03 -1.69 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 1iba s ALA 65 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1iba s ALA 65 CO 0.02 -2.09 0.52 0.41 0.00 0.00 0.00 175.76 174.63 1iba n GLY 66 N 3.58 -0.04 0.00 0.00 0.00 -1.26 0.59 105.19 108.07 1iba n GLY 66 Ca 0.19 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.84 0.00 -3.61 1.61 3.41 -1.26 -5.08 113.62 110.53 1iba n SER 67 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1iba n SER 67 Cb -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.38 -0.41 0.01 5.00 0.00 0.20 -4.86 107.32 105.88 1iba s GLY 68 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.57 1iba s GLY 68 CO 0.00 0.18 -0.04 0.14 0.00 0.00 0.00 173.10 173.38 1iba s VAL 69 N -2.37 0.31 -0.05 1.40 1.01 -1.26 -0.44 120.40 119.00 1iba s VAL 69 Ca 0.14 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1iba s VAL 69 Cb 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1iba s VAL 69 CO -0.04 -0.08 -0.14 -1.10 0.00 0.00 0.00 175.10 173.74 1iba s GLN 70 N -0.54 1.70 0.02 2.72 -0.21 0.13 -1.67 119.66 121.82 1iba s GLN 70 Ca -0.03 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1iba s GLN 70 Cb -0.04 -1.44 -0.01 0.00 1.00 0.00 0.00 33.01 32.52 1iba s GLN 70 CO -0.00 0.13 -0.10 0.00 -2.12 0.00 0.00 175.29 173.20 1iba s ALA 71 N 0.33 0.81 -0.02 6.09 0.00 -0.91 0.01 121.76 128.08 1iba s ALA 71 Ca -0.09 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1iba s ALA 71 Cb -0.13 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1iba s ALA 71 CO 0.03 0.14 -0.02 0.42 0.00 0.00 0.00 175.76 176.33 1iba s ILE 72 N -0.65 0.27 -0.46 0.00 1.09 0.72 -2.24 121.20 119.93 1iba s ILE 72 Ca -0.00 -0.07 0.08 0.00 -1.10 0.00 0.00 60.65 59.56 1iba s ILE 72 Cb -0.06 -0.29 0.38 0.00 -1.06 0.00 0.00 42.46 41.44 1iba s ILE 72 CO 0.00 0.12 0.95 2.22 -0.10 0.00 0.00 174.94 178.13 1iba n PHE 73 N 3.48 2.67 -0.10 3.97 -1.74 0.20 0.53 117.46 126.48 1iba n PHE 73 Ca -0.19 -3.54 0.00 0.00 -0.56 0.00 0.00 57.45 53.16 1iba n PHE 73 Cb 0.55 -0.35 0.00 0.00 1.52 0.00 0.00 39.48 41.20 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 -0.18 1.46 5.77 4.97 0.00 -1.19 -4.07 105.19 111.95 1iba n GLY 74 Ca 0.29 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1iba n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1iba n THR 75 N 0.00 0.00 -0.68 2.61 5.66 -1.26 -0.32 114.28 120.28 1iba n THR 75 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1iba n THR 75 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1iba n THR 75 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1iba n LYS 76 N 3.68 1.59 0.02 1.09 3.00 -1.26 -4.53 118.16 121.75 1iba n LYS 76 Ca 0.00 -1.35 -0.12 0.00 -0.00 0.00 0.00 58.31 56.84 1iba n LYS 76 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 35.03 32.48 1iba n LYS 76 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1iba h SER 77 N 6.96 -0.11 -0.95 3.14 4.64 -0.82 -2.04 113.55 124.38 1iba h SER 77 Ca 0.40 -0.46 0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1iba h SER 77 Cb 0.24 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.28 1iba h SER 77 CO 1.48 0.46 0.60 0.44 -0.87 0.00 0.00 176.83 178.95 1iba h ASP 78 N -0.76 0.83 -0.27 4.97 5.19 -1.86 0.61 116.42 125.12 1iba h ASP 78 Ca -0.01 0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.30 1iba h ASP 78 Cb 0.57 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1iba h ASP 78 CO 0.02 0.45 -0.35 -1.13 -3.12 0.00 0.00 179.24 175.11 1iba h ASN 79 N 0.89 0.78 0.51 6.45 -1.24 -1.91 0.35 115.58 121.40 1iba h ASN 79 Ca 0.46 -0.50 -0.13 0.00 0.71 0.00 0.00 56.30 56.85 1iba h ASN 79 Cb 0.53 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 1iba h ASN 79 CO -0.23 1.12 -0.57 -0.07 -1.29 0.00 0.00 177.43 176.39 1iba h LEU 80 N 0.45 0.07 -0.19 0.34 -0.00 -0.46 -2.18 115.31 113.35 1iba h LEU 80 Ca 0.03 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.88 57.70 1iba h LEU 80 Cb 0.94 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.55 1iba h LEU 80 CO 0.08 0.63 -0.83 0.11 -0.00 0.00 0.00 178.44 178.44 1iba h LYS 81 N 0.05 0.00 0.56 1.13 1.57 0.24 -2.78 116.57 117.33 1iba h LYS 81 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1iba h LYS 81 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1iba h LYS 81 CO 0.08 0.83 -0.27 1.15 -0.57 0.00 0.00 179.45 180.67 1iba h THR 82 N 0.00 0.43 -0.95 -0.16 2.02 0.11 0.49 112.91 114.84 1iba h THR 82 Ca -0.01 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 67.12 1iba h THR 82 Cb 1.55 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 1iba h THR 82 CO 0.11 0.02 0.61 1.05 0.37 0.00 0.00 175.52 177.68 1iba h GLU 83 N -0.85 0.95 -0.71 6.66 4.11 -1.50 0.15 114.58 123.40 1iba h GLU 83 Ca -0.08 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 1iba h GLU 83 Cb 0.61 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1iba h GLU 83 CO 0.13 0.63 0.34 0.52 0.07 0.00 0.00 179.01 180.69 1iba h MET 84 N 0.98 1.02 -0.56 1.06 2.86 -1.14 -1.50 114.93 117.65 1iba h MET 84 Ca 0.44 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 58.04 1iba h MET 84 Cb 0.38 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 1iba h MET 84 CO -0.20 0.81 0.08 0.22 1.06 0.00 0.00 176.91 178.87 1iba h ASP 85 N 0.99 -0.08 -0.95 1.22 3.58 0.28 0.42 116.42 121.87 1iba h ASP 85 Ca 0.24 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.84 1iba h ASP 85 Cb 0.13 0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 1iba h ASP 85 CO -0.03 -0.02 0.62 -0.33 -2.88 0.00 0.00 179.24 176.60 1iba h GLU 86 N 0.20 1.18 -0.54 0.28 5.08 -0.68 -2.16 114.58 117.95 1iba h GLU 86 Ca 0.29 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1iba h GLU 86 Cb 0.43 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1iba h GLU 86 CO -0.41 0.78 0.22 1.88 -1.00 0.00 0.00 179.01 180.49 1iba h TYR 87 N 1.22 0.39 -0.17 4.33 0.05 0.83 1.04 116.97 124.66 1iba h TYR 87 Ca 0.37 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 59.05 1iba h TYR 87 Cb -0.02 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1iba h TYR 87 CO -0.01 0.14 -0.42 0.82 -1.05 0.00 0.00 178.16 177.65 1iba h ILE 88 N 0.42 1.34 -0.09 -2.88 5.03 -1.26 0.11 117.51 120.17 1iba h ILE 88 Ca 0.26 -1.67 -0.01 0.00 -0.12 0.00 0.00 64.86 63.32 1iba h ILE 88 Cb 0.25 1.95 -0.01 0.00 -3.03 0.00 0.00 36.82 35.99 1iba h ILE 88 CO -0.23 0.51 0.01 0.03 -0.68 0.00 0.00 178.15 177.78 1iba h ARG 89 N 0.24 0.13 0.00 2.37 3.08 -0.82 0.36 114.38 119.74 1iba h ARG 89 Ca -0.00 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1iba h ARG 89 Cb 1.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1iba h ARG 89 CO 0.09 0.14 -0.67 -0.97 -1.07 0.00 0.00 179.97 177.50 1iba h ASN 90 N 0.13 0.00 -0.69 7.04 -0.73 0.14 -3.33 115.58 118.15 1iba h ASN 90 Ca 0.03 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.71 1iba h ASN 90 Cb 0.08 0.00 -0.42 0.00 0.27 0.00 0.00 38.32 38.26 1iba h ASN 90 CO 0.00 0.67 -0.85 0.33 -0.37 0.00 0.00 177.43 177.21 1iba n PHE 91 N -3.34 2.49 0.00 0.67 7.35 0.34 -5.06 117.46 119.92 1iba n PHE 91 Ca 0.01 -2.19 0.00 0.00 -0.76 0.00 0.00 57.45 54.51 1iba n PHE 91 Cb 0.77 -0.32 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41