#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 1.39 0.00 3.04 0.00 -1.99 1.34 119.26 123.04 1iba h ALA 16 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1iba h ALA 16 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iba h ALA 16 CO 0.00 -0.31 0.00 -1.00 0.00 0.00 0.00 179.25 177.94 1iba h PRO 17 N 0.42 0.00 -0.01 0.00 0.13 -1.93 -2.35 132.00 128.25 1iba h PRO 17 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.67 1iba h PRO 17 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1iba h PRO 17 CO -0.50 0.00 -0.57 0.00 -0.23 0.00 0.00 178.00 176.69 1iba n ALA 18 N -2.03 3.79 0.01 -0.56 0.00 0.94 -4.39 120.51 118.28 1iba n ALA 18 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 1iba n ALA 18 Cb 0.31 -0.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 1iba n ALA 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iba h LEU 19 N 1.91 -0.04 -1.19 0.00 7.12 0.21 -1.71 115.31 121.61 1iba h LEU 19 Ca 0.00 0.00 0.43 0.00 0.13 0.00 0.00 57.88 58.44 1iba h LEU 19 Cb 0.70 0.01 -0.14 0.00 -0.53 0.00 0.00 40.66 40.70 1iba h LEU 19 CO 0.00 0.03 0.74 0.55 -0.13 0.00 0.00 178.44 179.63 1iba n VAL 20 N -2.45 -0.27 -0.23 1.05 3.14 -1.24 0.18 118.33 118.51 1iba n VAL 20 Ca -0.01 1.71 -0.08 0.00 -2.96 0.00 0.00 64.34 63.00 1iba n VAL 20 Cb 0.02 -2.80 0.03 0.00 -1.06 0.00 0.00 33.84 30.03 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 1.55 0.87 0.00 1.55 0.00 -1.74 -1.38 119.26 120.12 1iba h ALA 21 Ca 0.81 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1iba h ALA 21 Cb 2.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1iba h ALA 21 CO -0.50 0.65 0.58 0.00 0.00 0.00 0.00 179.25 179.99 1iba h ALA 22 N 1.04 1.57 0.00 0.00 0.00 0.28 -0.42 119.26 121.74 1iba h ALA 22 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1iba h ALA 22 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iba h ALA 22 CO 0.02 -0.57 0.00 0.34 0.00 0.00 0.00 179.25 179.03 1iba n PHE 23 N -2.69 -1.04 0.22 0.00 7.35 -1.17 -4.70 117.46 115.43 1iba n PHE 23 Ca -0.01 0.18 0.06 0.00 -0.76 0.00 0.00 57.45 56.93 1iba n PHE 23 Cb 0.61 0.55 0.51 0.00 0.35 0.00 0.00 39.48 41.49 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 -0.42 7.13 0.00 -1.40 -2.24 103.07 106.13 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 -0.67 -0.13 3.16 4.60 0.00 -0.18 -4.38 105.19 107.61 1iba n GLY 25 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.03 3.43 0.08 1.61 4.76 -0.85 -4.78 118.16 122.38 1iba n LYS 26 Ca 0.14 -3.57 0.17 0.00 -2.87 0.00 0.00 58.31 52.18 1iba n LYS 26 Cb 0.23 -3.05 0.69 0.00 -1.84 0.00 0.00 35.03 31.06 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 6.48 0.00 -1.17 1.97 4.11 -1.84 0.49 114.58 124.62 1iba h GLU 27 Ca 0.38 0.00 0.34 0.00 0.07 0.00 0.00 59.36 60.15 1iba h GLU 27 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1iba h GLU 27 CO 1.48 0.00 1.01 -0.97 0.07 0.00 0.00 179.01 180.60 1iba h ASN 28 N 0.00 0.00 -0.60 3.06 -0.73 -1.96 -3.44 115.58 111.91 1iba h ASN 28 Ca 0.18 0.00 -0.43 0.00 1.87 0.00 0.00 56.30 57.91 1iba h ASN 28 Cb 0.73 0.00 0.05 0.00 0.27 0.00 0.00 38.32 39.37 1iba h ASN 28 CO -0.00 0.00 -0.18 -0.38 -0.37 0.00 0.00 177.43 176.50 1iba n ILE 29 N -3.76 0.72 0.01 2.57 -0.00 0.16 -4.91 119.36 114.15 1iba n ILE 29 Ca 0.26 -0.18 -0.18 0.00 -0.00 0.00 0.00 62.75 62.65 1iba n ILE 29 Cb 1.38 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.92 1iba n ILE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1iba h THR 30 N 1.09 1.36 -3.96 1.39 1.03 -1.86 -3.46 112.91 108.50 1iba h THR 30 Ca -0.22 -2.08 -0.35 0.00 -0.01 0.00 0.00 66.41 63.74 1iba h THR 30 Cb 0.87 2.43 -0.28 0.00 -1.07 0.00 0.00 68.15 70.09 1iba h THR 30 CO 0.36 0.62 -0.76 0.20 -0.01 0.00 0.00 175.52 175.93 1iba s ASN 31 N -6.93 0.82 -0.16 0.00 -0.87 -1.22 -5.06 114.94 101.52 1iba s ASN 31 Ca -0.12 -0.15 -0.09 0.00 -1.57 0.00 0.00 52.86 50.93 1iba s ASN 31 Cb 0.05 -0.08 0.06 0.00 -0.02 0.00 0.00 41.25 41.26 1iba s ASN 31 CO 0.86 0.07 0.39 -0.22 -2.57 0.00 0.00 177.10 175.63 1iba s LEU 32 N -0.26 -0.09 -0.79 0.60 0.20 -1.26 -1.47 118.68 115.60 1iba s LEU 32 Ca 0.02 0.86 0.02 0.00 0.69 0.00 0.00 54.13 55.72 1iba s LEU 32 Cb -0.03 1.27 0.30 0.00 -0.43 0.00 0.00 46.19 47.30 1iba s LEU 32 CO -0.00 -0.19 1.16 0.47 -0.29 0.00 0.00 176.35 177.49 1iba n ASP 33 N 4.37 5.20 -4.76 3.68 8.00 -1.10 -4.88 116.55 127.07 1iba n ASP 33 Ca -0.22 -3.55 -0.39 0.00 0.71 0.00 0.00 54.79 51.34 1iba n ASP 33 Cb 0.54 -0.87 0.03 0.00 -0.02 0.00 0.00 41.12 40.81 1iba n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iba n ALA 34 N 0.51 1.85 -3.80 2.24 0.00 -1.26 -3.63 120.51 116.42 1iba n ALA 34 Ca 0.32 0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.90 1iba n ALA 34 Cb 0.36 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1iba n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iba n ILE 36 N -0.47 -0.12 -2.44 0.00 -0.00 -1.26 -1.86 119.36 113.22 1iba n ILE 36 Ca -0.05 0.53 0.03 0.00 -0.00 0.00 0.00 62.75 63.26 1iba n ILE 36 Cb 0.60 -0.67 0.05 0.00 -0.00 0.00 0.00 39.64 39.61 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 -3.65 0.47 -3.68 7.28 5.66 -1.26 -5.06 114.28 114.05 1iba n THR 37 Ca 0.00 -1.58 -0.15 0.00 -3.05 0.00 0.00 64.05 59.27 1iba n THR 37 Cb 0.04 0.86 -0.14 0.00 -1.55 0.00 0.00 70.33 69.54 1iba n THR 37 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1iba s ARG 38 N -0.96 0.10 0.43 1.09 3.00 -0.77 -0.48 118.95 121.35 1iba s ARG 38 Ca 0.34 0.62 0.05 0.00 -1.00 0.00 0.00 55.73 55.73 1iba s ARG 38 Cb 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 34.95 35.12 1iba s ARG 38 CO -0.14 -0.27 0.02 -0.48 0.00 0.00 0.00 175.30 174.44 1iba s LEU 39 N 2.13 2.55 0.12 -0.88 0.05 -0.30 0.43 118.68 122.78 1iba s LEU 39 Ca -0.00 -1.48 -0.17 0.00 0.05 0.00 0.00 54.13 52.53 1iba s LEU 39 Cb -0.12 -0.73 0.04 0.00 -2.05 0.00 0.00 46.19 43.33 1iba s LEU 39 CO -0.07 -0.62 0.42 -0.13 -0.55 0.00 0.00 176.35 175.40 1iba s ARG 40 N -3.78 1.07 -0.43 1.48 0.52 -1.24 0.27 118.95 116.83 1iba s ARG 40 Ca 0.26 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 54.91 1iba s ARG 40 Cb 0.07 0.47 0.25 0.00 0.52 0.00 0.00 34.95 36.27 1iba s ARG 40 CO 0.13 -0.42 0.71 0.28 0.02 0.00 0.00 175.30 176.02 1iba n VAL 41 N -0.14 -0.36 -2.49 3.52 0.31 -0.68 -2.70 118.33 115.79 1iba n VAL 41 Ca -0.16 -2.92 -0.40 0.00 -0.01 0.00 0.00 64.34 60.84 1iba n VAL 41 Cb 0.63 -0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 33.21 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 -1.46 6.18 0.31 4.52 0.15 -0.55 -4.09 113.70 118.76 1iba s SER 42 Ca 0.33 -0.81 -0.06 0.00 0.70 0.00 0.00 55.95 56.12 1iba s SER 42 Cb 0.21 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1iba s SER 42 CO -0.16 -1.80 0.46 0.68 1.20 0.00 0.00 173.24 173.62 1iba s VAL 43 N 5.92 0.00 -1.80 4.45 -7.23 -1.26 -3.44 120.40 117.04 1iba s VAL 43 Ca 0.44 -1.55 0.15 0.00 -1.81 0.00 0.00 61.98 59.21 1iba s VAL 43 Cb -0.05 -2.52 0.19 0.00 0.56 0.00 0.00 36.38 34.56 1iba s VAL 43 CO 0.04 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 175.91 1iba n ALA 44 N -0.49 2.42 -0.85 1.32 0.00 -1.26 -4.72 120.51 116.93 1iba n ALA 44 Ca -0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 1iba n ALA 44 Cb 0.62 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 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 0.89 5.71 -0.71 0.00 9.92 -1.26 -4.21 116.55 126.89 1iba n ASP 45 Ca 0.11 -2.37 0.10 0.00 -0.53 0.00 0.00 54.79 52.10 1iba n ASP 45 Cb 0.42 -1.19 0.06 0.00 -0.64 0.00 0.00 41.12 39.77 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 4.08 0.00 -0.27 2.53 3.14 -1.26 -4.33 118.33 122.21 1iba n VAL 46 Ca 0.51 -0.45 0.17 0.00 -2.96 0.00 0.00 64.34 61.61 1iba n VAL 46 Cb 0.15 1.37 0.33 0.00 -1.06 0.00 0.00 33.84 34.63 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 0.84 0.05 -0.98 6.55 2.88 -1.26 -3.18 113.62 118.51 1iba n SER 47 Ca 0.11 1.37 -0.01 0.00 -1.33 0.00 0.00 58.87 59.00 1iba n SER 47 Cb 0.47 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 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 -5.04 0.00 -1.90 -1.46 0.00 -1.26 -5.14 118.16 103.37 1iba n LYS 48 Ca 0.23 -1.12 -0.36 0.00 -0.00 0.00 0.00 58.31 57.06 1iba n LYS 48 Cb 0.78 0.10 0.05 0.00 -0.00 0.00 0.00 35.03 35.96 1iba n LYS 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1iba s VAL 49 N 0.00 2.36 -1.09 0.58 0.11 -1.19 -4.93 120.40 116.24 1iba s VAL 49 Ca 0.10 0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1iba s VAL 49 Cb 0.12 -3.09 0.29 0.00 -1.53 0.00 0.00 36.38 32.17 1iba s VAL 49 CO -0.05 -0.05 1.69 0.47 -3.33 0.00 0.00 175.10 173.84 1iba n ASP 50 N -1.68 6.79 -0.04 3.54 9.92 -1.26 -4.72 116.55 129.09 1iba n ASP 50 Ca 0.14 -3.48 -0.13 0.00 -0.53 0.00 0.00 54.79 50.78 1iba n ASP 50 Cb 0.49 -1.25 -0.08 0.00 -0.64 0.00 0.00 41.12 39.64 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 4.94 0.29 -1.23 -1.24 4.20 -1.95 0.12 115.11 120.25 1iba h GLN 51 Ca 0.37 -0.17 0.36 0.00 0.06 0.00 0.00 58.65 59.27 1iba h GLN 51 Cb 0.49 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.18 1iba h GLN 51 CO 1.31 0.75 0.82 0.00 -0.67 0.00 0.00 178.83 181.03 1iba h ALA 52 N 0.55 2.69 0.15 3.87 0.00 -2.01 0.86 119.26 125.37 1iba h ALA 52 Ca 0.01 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 1iba h ALA 52 Cb 0.72 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1iba h ALA 52 CO 0.04 -1.18 -1.45 0.78 0.00 0.00 0.00 179.25 177.44 1iba h GLY 53 N 0.18 0.37 1.96 0.00 0.00 -1.92 -3.37 103.07 100.28 1iba h GLY 53 Ca 0.69 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1iba h GLY 53 CO -0.27 0.82 0.00 -0.10 0.00 0.00 0.00 176.54 176.99 1iba n LEU 54 N -3.83 0.00 -0.06 3.11 0.00 0.26 -0.37 117.00 116.11 1iba n LEU 54 Ca -0.23 0.48 -0.22 0.00 0.00 0.00 0.00 56.01 56.04 1iba n LEU 54 Cb 0.96 -0.48 -0.13 0.00 0.00 0.00 0.00 43.42 43.77 1iba n LEU 54 CO 0.47 -0.33 -0.75 2.29 0.00 0.00 0.00 177.39 179.06 1iba n LYS 55 N -1.48 0.66 0.05 1.96 -0.00 0.12 -0.20 118.16 119.28 1iba n LYS 55 Ca 0.02 0.39 0.12 0.00 -0.00 0.00 0.00 58.31 58.85 1iba n LYS 55 Cb 0.10 -1.71 0.16 0.00 -0.00 0.00 0.00 35.03 33.59 1iba n LYS 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1iba n LYS 56 N -3.92 0.28 -0.03 -1.58 2.85 -1.18 -0.56 118.16 114.01 1iba n LYS 56 Ca -0.34 0.07 -0.04 0.00 -1.05 0.00 0.00 58.31 56.95 1iba n LYS 56 Cb 0.88 -1.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.55 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 -2.07 2.06 -0.09 -5.58 0.00 0.50 -4.80 117.00 107.03 1iba n LEU 57 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 56.01 55.84 1iba n LEU 57 Cb 0.43 -0.13 -0.11 0.00 0.00 0.00 0.00 43.42 43.61 1iba n LEU 57 CO 0.37 0.47 -0.25 1.23 0.00 0.00 0.00 177.39 179.21 1iba h GLY 58 N 0.75 0.00 0.00 -3.96 0.00 -1.28 -3.47 103.07 95.10 1iba h GLY 58 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1iba h GLY 58 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 1iba n ALA 59 N -3.20 0.00 -2.22 3.60 0.00 0.72 -4.84 120.51 114.58 1iba n ALA 59 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 1iba n ALA 59 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.08 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 3.97 0.00 0.00 0.00 0.16 -4.04 120.51 117.60 1iba n ALA 60 Ca 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1iba n ALA 60 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 3.51 3.44 0.00 0.00 0.28 -4.72 105.19 107.04 1iba n GLY 61 Ca 0.28 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 0.65 -0.05 1.61 -7.23 -1.26 0.30 120.40 114.42 1iba s VAL 62 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1iba s VAL 62 Cb 0.00 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.45 1iba s VAL 62 CO 0.00 0.00 0.15 0.54 -0.31 0.00 0.00 175.10 175.48 1iba s VAL 63 N -3.37 0.01 -0.12 1.32 0.11 0.60 -4.97 120.40 113.98 1iba s VAL 63 Ca 0.31 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1iba s VAL 63 Cb 0.05 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1iba s VAL 63 CO 0.16 -0.02 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.07 1iba s VAL 64 N -0.01 2.93 -0.37 2.04 1.01 -1.26 -0.92 120.40 123.81 1iba s VAL 64 Ca -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1iba s VAL 64 Cb -0.01 -2.21 0.15 0.00 0.00 0.00 0.00 36.38 34.30 1iba s VAL 64 CO 0.00 0.53 0.29 0.00 0.00 0.00 0.00 175.10 175.93 1iba s ALA 65 N 0.30 0.62 -0.20 5.51 0.00 -0.27 -5.02 121.76 122.70 1iba s ALA 65 Ca -0.11 -1.75 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 1iba s ALA 65 Cb -0.16 -1.74 -0.06 0.00 0.00 0.00 0.00 23.12 21.16 1iba s ALA 65 CO 0.06 -2.09 0.73 0.41 0.00 0.00 0.00 175.76 174.86 1iba n GLY 66 N 3.79 -0.07 0.00 0.00 0.00 -1.26 0.13 105.19 107.78 1iba n GLY 66 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 2.62 0.00 -3.62 1.61 3.41 -1.26 -5.09 113.62 111.29 1iba n SER 67 Ca 0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.79 1iba n SER 67 Cb -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.41 -0.18 -0.02 5.00 0.00 0.12 -4.76 107.32 107.07 1iba s GLY 68 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 1iba s GLY 68 CO 0.00 1.83 0.09 0.14 0.00 0.00 0.00 173.10 175.16 1iba s VAL 69 N -2.46 0.04 0.02 1.40 1.01 -1.26 -1.12 120.40 118.04 1iba s VAL 69 Ca 0.19 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1iba s VAL 69 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1iba s VAL 69 CO 0.01 -0.20 -0.15 -1.10 0.00 0.00 0.00 175.10 173.66 1iba s GLN 70 N -0.62 1.06 0.03 2.72 -0.21 -0.09 -1.68 119.66 120.86 1iba s GLN 70 Ca -0.07 -0.66 0.05 0.00 0.02 0.00 0.00 55.36 54.70 1iba s GLN 70 Cb -0.04 -1.06 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 1iba s GLN 70 CO 0.00 0.28 -0.15 0.00 -2.12 0.00 0.00 175.29 173.30 1iba s ALA 71 N -0.62 1.27 -0.06 6.09 0.00 0.14 -0.29 121.76 128.29 1iba s ALA 71 Ca 0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1iba s ALA 71 Cb -0.07 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1iba s ALA 71 CO 0.01 0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.51 1iba s ILE 72 N -0.71 -0.03 -0.51 0.00 1.09 0.15 -1.15 121.20 120.03 1iba s ILE 72 Ca 0.03 0.30 0.03 0.00 -1.10 0.00 0.00 60.65 59.91 1iba s ILE 72 Cb -0.07 -0.27 0.44 0.00 -1.06 0.00 0.00 42.46 41.50 1iba s ILE 72 CO 0.01 0.13 1.56 2.22 -0.10 0.00 0.00 174.94 178.76 1iba n PHE 73 N 5.27 3.05 -1.19 3.97 -1.74 0.36 0.39 117.46 127.57 1iba n PHE 73 Ca -0.04 -2.64 0.00 0.00 -0.56 0.00 0.00 57.45 54.21 1iba n PHE 73 Cb 0.50 -0.77 0.00 0.00 1.52 0.00 0.00 39.48 40.73 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 -0.72 -0.25 5.15 4.97 0.00 -1.16 -3.76 105.19 109.43 1iba n GLY 74 Ca 0.51 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.17 0.00 -2.37 2.61 -2.24 -1.26 -2.15 114.28 107.70 1iba n THR 75 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1iba n THR 75 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1iba n THR 75 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1iba n LYS 76 N 0.00 3.86 -0.04 -0.78 2.85 -1.26 -4.68 118.16 118.11 1iba n LYS 76 Ca 0.00 -4.22 -0.13 0.00 -1.05 0.00 0.00 58.31 52.91 1iba n LYS 76 Cb 0.00 -2.33 -0.11 0.00 -0.65 0.00 0.00 35.03 31.94 1iba n LYS 76 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1iba h SER 77 N 3.37 -0.02 -0.88 -5.58 0.87 -1.52 -2.44 113.55 107.35 1iba h SER 77 Ca 0.47 -0.73 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1iba h SER 77 Cb 0.30 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.21 1iba h SER 77 CO 1.19 0.75 0.57 0.44 -0.53 0.00 0.00 176.83 179.25 1iba h ASP 78 N -0.81 0.87 -0.18 6.23 5.19 -1.87 0.40 116.42 126.24 1iba h ASP 78 Ca -0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1iba h ASP 78 Cb 0.75 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 1iba h ASP 78 CO 0.00 0.55 -0.01 -1.13 -3.12 0.00 0.00 179.24 175.54 1iba h ASN 79 N 0.98 0.32 -0.03 6.45 -0.73 -1.91 0.32 115.58 120.97 1iba h ASN 79 Ca 0.38 -0.32 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1iba h ASN 79 Cb 0.23 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1iba h ASN 79 CO -0.14 0.56 -0.03 -0.07 -0.37 0.00 0.00 177.43 177.38 1iba h LEU 80 N 0.07 0.08 -1.24 0.34 -0.00 -0.92 -1.51 115.31 112.13 1iba h LEU 80 Ca 0.05 -0.46 0.11 0.00 -0.00 0.00 0.00 57.88 57.58 1iba h LEU 80 Cb 0.40 -0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 1iba h LEU 80 CO 0.01 0.53 0.57 0.11 -0.00 0.00 0.00 178.44 179.66 1iba h LYS 81 N -0.36 0.78 -0.39 1.13 1.57 -0.25 0.24 116.57 119.29 1iba h LYS 81 Ca 0.01 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1iba h LYS 81 Cb 0.50 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1iba h LYS 81 CO 0.01 0.52 0.21 1.15 -0.57 0.00 0.00 179.45 180.76 1iba h THR 82 N 0.80 1.00 -0.87 -0.16 2.02 -0.02 0.36 112.91 116.04 1iba h THR 82 Ca 0.42 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.49 1iba h THR 82 Cb 0.53 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1iba h THR 82 CO -0.19 0.08 0.56 -0.33 0.37 0.00 0.00 175.52 176.01 1iba h GLU 83 N 0.42 1.08 -0.30 6.66 4.39 0.25 -0.91 114.58 126.16 1iba h GLU 83 Ca 0.16 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1iba h GLU 83 Cb 0.05 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 1iba h GLU 83 CO -0.10 0.71 0.07 0.52 -1.16 0.00 0.00 179.01 179.06 1iba h MET 84 N 1.11 0.18 -0.58 2.33 2.86 0.79 -2.15 114.93 119.47 1iba h MET 84 Ca 0.34 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 58.06 1iba h MET 84 Cb -0.03 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.52 1iba h MET 84 CO -0.10 0.12 0.21 0.22 1.06 0.00 0.00 176.91 178.42 1iba h ASP 85 N 0.19 0.20 -1.00 1.22 3.58 0.81 0.12 116.42 121.53 1iba h ASP 85 Ca 0.14 0.08 0.21 0.00 0.42 0.00 0.00 57.03 57.87 1iba h ASP 85 Cb 0.14 0.06 -0.11 0.00 1.72 0.00 0.00 39.33 41.14 1iba h ASP 85 CO -0.17 0.13 0.61 -0.33 -2.88 0.00 0.00 179.24 176.59 1iba h GLU 86 N 0.39 0.69 -0.18 0.28 4.39 -0.57 -2.24 114.58 117.33 1iba h GLU 86 Ca 0.29 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1iba h GLU 86 Cb 0.35 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1iba h GLU 86 CO -0.30 0.45 0.04 1.88 -1.16 0.00 0.00 179.01 179.93 1iba h TYR 87 N 0.71 0.31 -0.46 4.33 0.05 -0.41 0.79 116.97 122.28 1iba h TYR 87 Ca 0.60 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 59.25 1iba h TYR 87 Cb 1.00 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.64 1iba h TYR 87 CO -0.00 0.42 -0.08 0.82 -1.05 0.00 0.00 178.16 178.26 1iba h ILE 88 N 0.11 1.26 -0.09 -2.88 5.03 -1.45 0.51 117.51 119.99 1iba h ILE 88 Ca 0.06 -1.15 -0.09 0.00 -0.12 0.00 0.00 64.86 63.56 1iba h ILE 88 Cb 0.27 0.99 -0.01 0.00 -3.03 0.00 0.00 36.82 35.04 1iba h ILE 88 CO 0.00 0.40 -0.33 0.03 -0.68 0.00 0.00 178.15 177.57 1iba h ARG 89 N 0.75 0.18 0.00 2.37 3.08 -1.06 0.50 114.38 120.20 1iba h ARG 89 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1iba h ARG 89 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1iba h ARG 89 CO 0.04 0.50 0.00 -0.97 -1.07 0.00 0.00 179.97 178.46 1iba h ASN 90 N 0.16 0.00 -0.20 7.04 -0.73 0.18 -3.33 115.58 118.71 1iba h ASN 90 Ca 0.02 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.01 1iba h ASN 90 Cb 0.67 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 39.02 1iba h ASN 90 CO 0.05 0.00 -0.79 0.33 -0.37 0.00 0.00 177.43 176.65 1iba n PHE 91 N -3.02 0.68 1.81 0.67 -0.00 0.17 -5.05 117.46 112.71 1iba n PHE 91 Ca 0.04 -1.44 0.15 0.00 -0.00 0.00 0.00 57.45 56.20 1iba n PHE 91 Cb 0.50 -0.24 0.79 0.00 -0.00 0.00 0.00 39.48 40.53 1iba n PHE 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17