#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovy n THR 25 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.06 114.28 117.23 1ovy n THR 25 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ovy n THR 25 Cb 0.00 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1ovy n THR 25 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ovy n THR 26 N 0.00 0.00 0.11 1.09 -1.04 -1.26 -4.99 114.28 108.19 1ovy n THR 26 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1ovy n THR 26 Cb 0.58 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.01 1ovy n THR 26 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1ovy h GLU 27 N 0.00 -0.30 0.00 -2.82 4.39 -2.03 -3.46 114.58 110.35 1ovy h GLU 27 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ovy h GLU 27 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1ovy h GLU 27 CO 0.00 0.06 0.00 2.89 -1.16 0.00 0.00 179.01 180.80 1ovy n ARG 28 N -5.03 0.00 -1.93 2.33 1.85 -1.26 -5.07 116.66 107.55 1ovy n ARG 28 Ca -0.09 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.35 1ovy n ARG 28 Cb 0.26 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.64 1ovy n ARG 28 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1ovy s PRO 29 N 0.00 3.04 0.00 2.89 0.02 -1.26 -4.67 135.00 135.02 1ovy s PRO 29 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.31 1ovy s PRO 29 Cb 0.00 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.23 1ovy s PRO 29 CO 0.00 -2.21 0.00 2.89 -0.33 0.00 0.00 177.00 177.35 1ovy n ARG 30 N 8.69 0.00 -1.93 5.54 1.85 -0.23 -4.08 116.66 126.50 1ovy n ARG 30 Ca 0.24 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.67 1ovy n ARG 30 Cb 0.49 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.87 1ovy n ARG 30 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1ovy s LEU 31 N 0.00 4.37 -0.07 2.89 2.96 0.09 -2.66 118.68 126.25 1ovy s LEU 31 Ca 0.00 2.61 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 1ovy s LEU 31 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1ovy s LEU 31 CO 0.00 -0.83 -0.08 -0.44 -1.32 0.00 0.00 176.35 173.69 1ovy s SER 32 N 1.18 4.56 -0.19 3.68 0.01 0.45 0.47 113.70 123.85 1ovy s SER 32 Ca 0.70 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.86 1ovy s SER 32 Cb -0.44 -1.16 0.06 0.00 0.21 0.00 0.00 66.02 64.69 1ovy s SER 32 CO 0.31 0.35 0.08 0.68 0.41 0.00 0.00 173.24 175.08 1ovy s VAL 33 N -0.73 0.03 0.17 3.43 -7.23 -1.26 -0.80 120.40 114.01 1ovy s VAL 33 Ca 0.11 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1ovy s VAL 33 Cb -0.11 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 1ovy s VAL 33 CO 0.01 -0.32 -0.02 0.72 -0.31 0.00 0.00 175.10 175.19 1ovy s PHE 34 N 2.08 1.23 -0.41 2.82 -0.71 -0.89 -3.71 117.98 118.39 1ovy s PHE 34 Ca 0.02 -0.96 -0.17 0.00 -1.04 0.00 0.00 56.93 54.78 1ovy s PHE 34 Cb -0.16 -0.69 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 1ovy s PHE 34 CO -0.12 -0.14 0.45 1.03 -1.34 0.00 0.00 175.22 175.10 1ovy s ARG 35 N -3.88 3.18 -1.04 1.99 0.52 -1.26 0.61 118.95 119.07 1ovy s ARG 35 Ca 0.22 -0.67 -0.21 0.00 -0.52 0.00 0.00 55.73 54.55 1ovy s ARG 35 Cb 0.05 -3.94 0.07 0.00 0.52 0.00 0.00 34.95 31.65 1ovy s ARG 35 CO 0.03 -0.82 1.42 -1.12 0.02 0.00 0.00 175.30 174.83 1ovy s SER 36 N 1.81 6.59 0.25 0.23 0.01 0.45 -4.82 113.70 118.22 1ovy s SER 36 Ca 0.13 -1.75 0.00 0.00 1.31 0.00 0.00 55.95 55.64 1ovy s SER 36 Cb -0.17 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1ovy s SER 36 CO 0.14 -1.35 0.00 0.59 0.41 0.00 0.00 173.24 173.03 1ovy n ASN 37 N 8.24 0.00 -0.47 2.44 5.03 -1.26 -1.72 115.26 127.52 1ovy n ASN 37 Ca 0.33 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.84 1ovy n ASN 37 Cb 0.50 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.32 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ovy n LYS 38 N 0.00 0.95 -4.39 3.52 4.01 -1.26 -5.01 118.16 115.98 1ovy n LYS 38 Ca 0.00 -1.31 -0.20 0.00 -0.51 0.00 0.00 58.31 56.29 1ovy n LYS 38 Cb 0.00 -1.22 -0.10 0.00 -0.51 0.00 0.00 35.03 33.20 1ovy n LYS 38 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1ovy s HIS 39 N -0.92 1.81 -0.42 2.13 3.76 -0.70 -4.59 115.29 116.37 1ovy s HIS 39 Ca 0.14 -0.72 -0.16 0.00 -0.15 0.00 0.00 55.06 54.18 1ovy s HIS 39 Cb 0.09 -1.00 0.02 0.00 1.11 0.00 0.00 32.58 32.81 1ovy s HIS 39 CO 0.14 0.23 0.37 0.96 -0.85 0.00 0.00 174.74 175.58 1ovy s ILE 40 N -3.09 5.18 -0.21 0.60 -5.25 -1.25 0.17 121.20 117.35 1ovy s ILE 40 Ca 0.27 -0.54 -0.26 0.00 -0.99 0.00 0.00 60.65 59.14 1ovy s ILE 40 Cb 0.03 -3.99 -0.01 0.00 2.95 0.00 0.00 42.46 41.45 1ovy s ILE 40 CO 0.10 -0.37 0.87 -0.47 -1.79 0.00 0.00 174.94 173.27 1ovy s TYR 41 N 1.89 3.36 -0.23 1.37 6.14 0.20 -4.73 117.35 125.34 1ovy s TYR 41 Ca 0.08 1.24 -0.14 0.00 0.64 0.00 0.00 57.07 58.90 1ovy s TYR 41 Cb -0.18 -3.08 -0.04 0.00 0.42 0.00 0.00 41.96 39.08 1ovy s TYR 41 CO 0.11 -0.35 0.31 0.00 0.64 0.00 0.00 175.55 176.26 1ovy s ALA 42 N 2.64 3.57 -0.05 3.97 0.00 -1.07 -2.10 121.76 128.72 1ovy s ALA 42 Ca 0.38 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1ovy s ALA 42 Cb -0.16 -2.55 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1ovy s ALA 42 CO 0.09 -0.35 0.09 -1.14 0.00 0.00 0.00 175.76 174.45 1ovy s GLN 43 N 1.41 -0.05 -0.22 0.00 0.74 0.02 -2.45 119.66 119.12 1ovy s GLN 43 Ca 0.14 0.43 -0.07 0.00 0.05 0.00 0.00 55.36 55.91 1ovy s GLN 43 Cb -0.15 -0.46 -0.03 0.00 1.10 0.00 0.00 33.01 33.48 1ovy s GLN 43 CO 0.07 -0.33 0.05 0.42 -0.55 0.00 0.00 175.29 174.95 1ovy s ILE 44 N 2.21 4.28 -0.09 -2.34 -1.09 -1.07 0.17 121.20 123.26 1ovy s ILE 44 Ca 0.04 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.30 1ovy s ILE 44 Cb -0.12 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1ovy s ILE 44 CO -0.04 0.38 -0.18 -0.51 -1.23 0.00 0.00 174.94 173.37 1ovy s ILE 45 N 1.23 1.58 0.90 2.92 1.10 -1.09 -1.97 121.20 125.88 1ovy s ILE 45 Ca 0.04 -0.73 -0.15 0.00 -0.51 0.00 0.00 60.65 59.30 1ovy s ILE 45 Cb -0.15 -1.41 -0.05 0.00 0.15 0.00 0.00 42.46 41.01 1ovy s ILE 45 CO 0.03 0.46 -0.03 -0.90 -2.11 0.00 0.00 174.94 172.38 1ovy n ASP 46 N 3.79 -3.42 0.00 4.50 5.75 -0.65 -1.07 116.55 125.45 1ovy n ASP 46 Ca -0.21 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1ovy n ASP 46 Cb 0.52 -1.03 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 1ovy n ASP 46 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ovy n ASP 47 N 0.76 0.00 0.01 -1.12 5.75 -1.26 -1.89 116.55 118.80 1ovy n ASP 47 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.93 1ovy n ASP 47 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 1ovy n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ovy n THR 48 N 0.00 0.07 -0.07 2.12 -2.24 -1.26 -4.66 114.28 108.25 1ovy n THR 48 Ca 0.00 -0.35 -0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1ovy n THR 48 Cb 0.00 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1ovy n THR 48 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ovy n LYS 49 N -2.07 0.44 0.00 -0.78 3.00 -1.26 -5.13 118.16 112.35 1ovy n LYS 49 Ca -0.01 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1ovy n LYS 49 Cb 0.49 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1ovy n LYS 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ovy n SER 50 N -4.26 0.00 0.00 3.14 2.88 -1.26 -4.96 113.62 109.16 1ovy n SER 50 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1ovy n SER 50 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1ovy n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ovy n ALA 51 N -0.60 0.00 -2.21 -1.46 0.00 -1.26 -2.83 120.51 112.14 1ovy n ALA 51 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1ovy n ALA 51 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ovy n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ovy s THR 52 N -3.03 4.78 -0.24 0.00 -4.23 -1.26 -4.55 115.64 107.11 1ovy s THR 52 Ca 0.00 0.68 0.10 0.00 -1.18 0.00 0.00 61.69 61.30 1ovy s THR 52 Cb 0.00 -3.68 0.44 0.00 1.34 0.00 0.00 72.50 70.61 1ovy s THR 52 CO 0.00 -0.34 1.20 -0.38 -0.54 0.00 0.00 174.62 174.56 1ovy n ILE 53 N -0.82 2.23 -3.36 2.99 5.41 -1.13 -1.64 119.36 123.05 1ovy n ILE 53 Ca 0.02 -3.61 -0.03 0.00 1.00 0.00 0.00 62.75 60.13 1ovy n ILE 53 Cb 0.53 -0.55 0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1ovy n ILE 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1ovy n VAL 54 N -0.83 0.00 0.00 1.39 0.24 -0.83 -4.92 118.33 113.38 1ovy n VAL 54 Ca 0.30 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1ovy n VAL 54 Cb 0.85 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1ovy n VAL 54 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1ovy n SER 55 N -1.15 0.00 -3.48 -1.34 2.88 -1.26 -2.60 113.62 106.68 1ovy n SER 55 Ca -0.03 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.36 1ovy n SER 55 Cb 0.23 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 1ovy n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ovy s ALA 56 N -1.00 -1.69 0.00 -1.46 0.00 -1.02 -4.90 121.76 111.69 1ovy s ALA 56 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1ovy s ALA 56 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1ovy s ALA 56 CO 0.00 -0.54 0.00 -1.13 0.00 0.00 0.00 175.76 174.09 1ovy n SER 57 N 0.35 0.00 -0.22 0.00 3.41 -1.26 -2.60 113.62 113.29 1ovy n SER 57 Ca -0.18 -0.76 0.31 0.00 -0.26 0.00 0.00 58.87 57.98 1ovy n SER 57 Cb 0.60 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.19 1ovy n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ovy h THR 58 N 0.76 0.17 -0.15 6.66 1.03 -1.88 1.66 112.91 121.16 1ovy h THR 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ovy h THR 58 Cb 0.00 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 67.33 1ovy h THR 58 CO 0.00 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.69 1ovy n LEU 59 N -3.64 1.92 -4.98 0.00 7.99 -1.26 -4.67 117.00 112.36 1ovy n LEU 59 Ca 0.22 -0.97 -0.24 0.00 -0.01 0.00 0.00 56.01 55.02 1ovy n LEU 59 Cb 1.31 -0.46 0.11 0.00 -0.11 0.00 0.00 43.42 44.27 1ovy n LEU 59 CO 0.31 0.32 0.58 -0.62 -1.51 0.00 0.00 177.39 176.47 1ovy s ASP 60 N -0.36 4.26 -0.06 -1.43 2.15 0.57 -5.08 116.67 116.72 1ovy s ASP 60 Ca 0.13 -0.25 -0.03 0.00 0.43 0.00 0.00 52.55 52.83 1ovy s ASP 60 Cb 0.09 -0.12 -0.01 0.00 -0.30 0.00 0.00 42.92 42.58 1ovy s ASP 60 CO 0.05 -1.93 -0.07 0.11 -0.17 0.00 0.00 175.17 173.17 1ovy h LYS 61 N -0.63 0.00 -1.42 4.34 1.57 -1.90 -3.33 116.57 115.20 1ovy h LYS 61 Ca -0.38 0.00 0.41 0.00 -1.87 0.00 0.00 60.65 58.82 1ovy h LYS 61 Cb 1.27 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 1ovy h LYS 61 CO 0.41 0.00 1.00 0.93 -0.57 0.00 0.00 179.45 181.22 1ovy h GLU 62 N -0.47 0.05 -0.21 3.15 5.08 -1.97 0.35 114.58 120.57 1ovy h GLU 62 Ca 0.00 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1ovy h GLU 62 Cb 0.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ovy h GLU 62 CO 0.00 0.04 -0.16 0.74 -1.00 0.00 0.00 179.01 178.62 1ovy h PHE 63 N 0.05 0.56 0.00 4.33 0.04 -1.91 -3.49 116.94 116.53 1ovy h PHE 63 Ca 0.71 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 61.32 1ovy h PHE 63 Cb 2.66 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 40.69 1ovy h PHE 63 CO -0.00 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 178.92 1ovy n GLY 64 N 0.11 0.77 3.36 -1.45 0.00 0.12 -4.62 105.19 103.47 1ovy n GLY 64 Ca -0.05 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.71 1ovy n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ovy s LEU 65 N 0.00 5.91 0.26 0.99 1.43 -1.26 -4.87 118.68 121.14 1ovy s LEU 65 Ca 0.00 -1.94 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 1ovy s LEU 65 Cb 0.00 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1ovy s LEU 65 CO 0.00 -0.90 0.00 0.47 0.23 0.00 0.00 176.35 176.15 1ovy n ASP 66 N 5.46 -7.44 0.00 2.29 8.00 -1.26 -5.04 116.55 118.56 1ovy n ASP 66 Ca 0.00 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1ovy n ASP 66 Cb 0.44 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 1ovy n ASP 66 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ovy n SER 67 N 0.48 0.00 0.31 -2.24 2.88 -1.26 -4.96 113.62 108.83 1ovy n SER 67 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 1ovy n SER 67 Cb 0.00 0.00 1.00 0.00 -0.75 0.00 0.00 64.21 64.46 1ovy n SER 67 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ovy h THR 68 N 0.00 0.00 -1.19 2.46 2.02 -1.89 -2.33 112.91 111.99 1ovy h THR 68 Ca 0.00 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.56 1ovy h THR 68 Cb 0.00 0.81 -0.13 0.00 -1.74 0.00 0.00 68.15 67.10 1ovy h THR 68 CO 0.00 0.00 0.75 -0.55 0.37 0.00 0.00 175.52 176.09 1ovy h ASN 69 N 0.00 0.34 -3.51 4.18 7.08 -1.93 -3.31 115.58 118.43 1ovy h ASN 69 Ca 0.00 0.14 -0.63 0.00 -3.08 0.00 0.00 56.30 52.73 1ovy h ASN 69 Cb 0.22 0.11 -0.18 0.00 -2.08 0.00 0.00 38.32 36.40 1ovy h ASN 69 CO 0.00 -0.12 -0.57 0.21 -2.08 0.00 0.00 177.43 174.87 1ovy s ASN 70 N -4.74 5.61 0.64 6.14 3.04 -0.88 -4.58 114.94 120.19 1ovy s ASN 70 Ca -0.08 -0.01 0.20 0.00 0.04 0.00 0.00 52.86 53.01 1ovy s ASN 70 Cb 0.29 -1.99 0.98 0.00 -1.54 0.00 0.00 41.25 38.98 1ovy s ASN 70 CO 0.81 0.07 1.53 0.16 -3.04 0.00 0.00 177.10 176.63 1ovy h ILE 71 N 5.14 0.06 -0.74 -5.21 -2.65 -1.85 -1.78 117.51 110.48 1ovy h ILE 71 Ca -0.37 0.00 0.17 0.00 1.03 0.00 0.00 64.86 65.68 1ovy h ILE 71 Cb 1.17 0.35 -0.13 0.00 -2.05 0.00 0.00 36.82 36.16 1ovy h ILE 71 CO 0.64 0.00 -0.02 -0.08 0.03 0.00 0.00 178.15 178.73 1ovy h GLU 72 N 0.00 0.09 0.10 0.16 4.81 -1.88 1.39 114.58 119.25 1ovy h GLU 72 Ca 0.10 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ovy h GLU 72 Cb 1.49 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1ovy h GLU 72 CO -0.00 0.06 -0.05 0.00 -0.73 0.00 0.00 179.01 178.29 1ovy h ALA 73 N 1.70 -0.13 -0.80 2.92 0.00 -1.53 -2.10 119.26 119.32 1ovy h ALA 73 Ca 0.40 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.37 1ovy h ALA 73 Cb 0.69 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ovy h ALA 73 CO -0.66 -0.14 0.59 0.00 0.00 0.00 0.00 179.25 179.04 1ovy h ALA 74 N -0.67 2.73 0.01 0.00 0.00 -1.57 1.20 119.26 120.95 1ovy h ALA 74 Ca -0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1ovy h ALA 74 Cb 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1ovy h ALA 74 CO 0.02 -1.00 -0.87 -0.22 0.00 0.00 0.00 179.25 177.17 1ovy h LYS 75 N 0.00 0.05 0.18 0.00 3.64 0.18 0.85 116.57 121.47 1ovy h LYS 75 Ca 0.38 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1ovy h LYS 75 Cb 1.56 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 1ovy h LYS 75 CO -0.00 0.89 -0.36 -0.22 -2.27 0.00 0.00 179.45 177.49 1ovy h LYS 76 N 0.02 -0.56 0.14 1.90 3.64 0.22 -0.56 116.57 121.39 1ovy h LYS 76 Ca -0.02 0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.08 1ovy h LYS 76 Cb 1.53 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1ovy h LYS 76 CO 0.12 -0.37 -1.65 0.28 -2.27 0.00 0.00 179.45 175.56 1ovy h VAL 77 N -0.58 0.92 -1.24 2.00 2.07 -1.62 -2.97 116.25 114.84 1ovy h VAL 77 Ca -0.02 -2.43 0.36 0.00 0.82 0.00 0.00 66.70 65.43 1ovy h VAL 77 Cb 0.55 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 1ovy h VAL 77 CO -0.14 0.79 0.88 1.23 0.02 0.00 0.00 177.57 180.35 1ovy h GLY 78 N 0.46 0.15 0.36 2.17 0.00 0.68 0.50 103.07 107.39 1ovy h GLY 78 Ca -0.34 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1ovy h GLY 78 CO 0.11 -0.02 -0.75 -2.09 0.00 0.00 0.00 176.54 173.78 1ovy h GLU 79 N 0.04 0.16 -0.42 4.80 4.81 -1.19 -2.54 114.58 120.23 1ovy h GLU 79 Ca 0.60 -0.27 0.09 0.00 -0.13 0.00 0.00 59.36 59.65 1ovy h GLU 79 Cb 2.32 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 31.71 1ovy h GLU 79 CO -0.04 1.13 -0.20 1.25 -0.73 0.00 0.00 179.01 180.41 1ovy h LEU 80 N -0.63 -0.69 -1.13 1.64 5.85 -0.03 0.46 115.31 120.78 1ovy h LEU 80 Ca -0.16 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1ovy h LEU 80 Cb 1.43 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 1ovy h LEU 80 CO 0.04 -0.23 0.12 1.62 -0.34 0.00 0.00 178.44 179.65 1ovy h VAL 81 N -0.12 1.21 0.58 1.05 3.04 -0.61 -2.80 116.25 118.60 1ovy h VAL 81 Ca 0.20 -0.74 -0.02 0.00 -1.01 0.00 0.00 66.70 65.13 1ovy h VAL 81 Cb 0.44 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1ovy h VAL 81 CO -0.50 0.27 -0.37 0.00 -1.01 0.00 0.00 177.57 175.97 1ovy h ALA 82 N 1.42 -0.92 -0.36 3.17 0.00 0.03 -0.93 119.26 121.68 1ovy h ALA 82 Ca 0.16 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ovy h ALA 82 Cb 0.26 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1ovy h ALA 82 CO -0.00 -1.03 -0.46 -0.22 0.00 0.00 0.00 179.25 177.53 1ovy h LYS 83 N -0.90 -0.36 -0.01 0.00 3.64 -0.11 0.87 116.57 119.70 1ovy h LYS 83 Ca -0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ovy h LYS 83 Cb 0.73 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1ovy h LYS 83 CO 0.07 -0.24 0.10 0.07 -2.27 0.00 0.00 179.45 177.17 1ovy h ARG 84 N -0.37 0.00 0.00 1.90 0.11 -1.41 -2.20 114.38 112.41 1ovy h ARG 84 Ca 0.11 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.17 1ovy h ARG 84 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1ovy h ARG 84 CO -0.55 0.00 -0.10 0.00 0.10 0.00 0.00 179.97 179.42 1ovy h ALA 85 N 1.81 0.01 0.00 0.08 0.00 0.21 -1.79 119.26 119.58 1ovy h ALA 85 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ovy h ALA 85 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ovy h ALA 85 CO -0.00 -0.02 -0.03 1.37 0.00 0.00 0.00 179.25 180.57 1ovy h LEU 86 N -0.72 0.00 0.09 0.00 8.10 -0.50 -2.43 115.31 119.85 1ovy h LEU 86 Ca -0.01 0.00 -0.31 0.00 0.11 0.00 0.00 57.88 57.67 1ovy h LEU 86 Cb 0.90 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.10 1ovy h LEU 86 CO 0.02 0.03 -1.60 1.05 -4.11 0.00 0.00 178.44 173.83 1ovy h GLU 87 N 0.00 0.19 0.00 0.17 4.11 -1.55 0.53 114.58 118.03 1ovy h GLU 87 Ca -0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1ovy h GLU 87 Cb 0.06 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ovy h GLU 87 CO 0.00 1.00 0.00 1.63 0.07 0.00 0.00 179.01 181.71 1ovy n LYS 88 N -3.37 0.00 0.00 1.06 4.76 -0.67 -4.04 118.16 115.90 1ovy n LYS 88 Ca -0.18 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 1ovy n LYS 88 Cb 1.04 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1ovy n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ovy n GLY 89 N -0.96 -2.87 0.72 0.72 0.00 -1.13 -4.68 105.19 96.99 1ovy n GLY 89 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ovy n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ovy n ILE 90 N -0.41 0.00 -4.30 -0.61 2.08 -1.21 -4.82 119.36 110.10 1ovy n ILE 90 Ca 0.00 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.14 1ovy n ILE 90 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.80 1ovy n ILE 90 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1ovy s LYS 91 N -1.39 1.52 1.16 0.38 -0.14 0.17 -4.56 119.74 116.90 1ovy s LYS 91 Ca 0.00 -1.86 -0.14 0.00 -1.36 0.00 0.00 55.97 52.61 1ovy s LYS 91 Cb 0.00 0.04 0.28 0.00 -1.68 0.00 0.00 37.83 36.46 1ovy s LYS 91 CO 0.00 -0.46 1.04 -1.14 -0.76 0.00 0.00 175.35 174.03 1ovy s GLN 92 N -3.85 -0.90 0.39 1.68 2.00 -1.10 -4.08 119.66 113.80 1ovy s GLN 92 Ca 0.37 0.59 0.08 0.00 -2.00 0.00 0.00 55.36 54.40 1ovy s GLN 92 Cb 0.05 -1.58 -0.04 0.00 0.80 0.00 0.00 33.01 32.25 1ovy s GLN 92 CO 0.18 -3.64 0.23 0.08 -0.50 0.00 0.00 175.29 171.64 1ovy s VAL 93 N -2.61 2.65 -0.12 1.34 1.01 -1.26 -2.96 120.40 118.45 1ovy s VAL 93 Ca 0.68 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1ovy s VAL 93 Cb -0.21 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1ovy s VAL 93 CO 0.62 -0.06 0.12 -0.69 0.00 0.00 0.00 175.10 175.09 1ovy s VAL 94 N -2.50 5.31 0.53 2.92 1.01 -1.26 -4.64 120.40 121.76 1ovy s VAL 94 Ca 0.42 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1ovy s VAL 94 Cb -0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 1ovy s VAL 94 CO 0.24 0.60 0.74 2.22 0.00 0.00 0.00 175.10 178.91 1ovy n PHE 95 N 2.17 0.12 0.00 5.22 -1.74 -1.23 -0.74 117.46 121.26 1ovy n PHE 95 Ca -0.19 0.49 0.00 0.00 -0.56 0.00 0.00 57.45 57.18 1ovy n PHE 95 Cb 0.54 -2.06 0.00 0.00 1.52 0.00 0.00 39.48 39.48 1ovy n PHE 95 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1ovy n ASP 96 N 0.28 0.00 0.00 5.98 2.03 0.18 -4.79 116.55 120.22 1ovy n ASP 96 Ca 0.12 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1ovy n ASP 96 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1ovy n ASP 96 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1ovy n ARG 97 N -0.23 0.01 -0.08 -0.67 3.00 -1.26 -4.83 116.66 112.59 1ovy n ARG 97 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1ovy n ARG 97 Cb 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 32.46 31.96 1ovy n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ovy n GLY 98 N 1.68 0.10 0.09 5.14 0.00 -1.24 -3.60 105.19 107.35 1ovy n GLY 98 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1ovy n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ovy n GLY 99 N 0.52 -1.02 2.72 -0.02 0.00 -1.26 -4.65 105.19 101.48 1ovy n GLY 99 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.93 1ovy n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ovy n TYR 100 N -2.89 -2.15 0.18 1.61 4.11 -1.24 -3.33 117.16 113.45 1ovy n TYR 100 Ca -0.21 0.41 0.10 0.00 -0.00 0.00 0.00 57.90 58.20 1ovy n TYR 100 Cb 1.05 -0.73 0.51 0.00 -0.00 0.00 0.00 39.34 40.17 1ovy n TYR 100 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1ovy n LEU 101 N 0.00 0.51 -0.06 -3.48 4.32 -1.26 -4.91 117.00 112.11 1ovy n LEU 101 Ca 0.00 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 1ovy n LEU 101 Cb 0.15 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 1ovy n LEU 101 CO 0.00 -0.85 0.00 -1.22 -1.22 0.00 0.00 177.39 174.10 1ovy n TYR 102 N -2.16 0.00 0.00 -1.77 4.01 -1.21 -5.05 117.16 110.97 1ovy n TYR 102 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1ovy n TYR 102 Cb 0.06 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1ovy n TYR 102 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1ovy n HIS 103 N 2.10 0.00 0.00 -0.72 -0.00 -1.26 -5.05 115.22 110.29 1ovy n HIS 103 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1ovy n HIS 103 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1ovy n HIS 103 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ovy n GLY 104 N 0.00 1.01 0.08 1.57 0.00 -1.26 -5.00 105.19 101.59 1ovy n GLY 104 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1ovy n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ovy n ARG 105 N 0.00 0.48 0.18 1.61 5.12 -1.26 -4.32 116.66 118.47 1ovy n ARG 105 Ca 0.00 0.47 0.18 0.00 -1.93 0.00 0.00 57.85 56.57 1ovy n ARG 105 Cb 0.00 -1.65 0.70 0.00 -1.16 0.00 0.00 32.46 30.35 1ovy n ARG 105 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ovy h VAL 106 N -1.00 0.17 -0.97 1.55 2.07 -1.92 -1.26 116.25 114.88 1ovy h VAL 106 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1ovy h VAL 106 Cb 0.71 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1ovy h VAL 106 CO -0.03 0.00 0.60 0.07 0.02 0.00 0.00 177.57 178.23 1ovy h LYS 107 N 0.00 0.91 -0.69 1.57 5.09 -1.75 -2.24 116.57 119.46 1ovy h LYS 107 Ca 0.13 -0.06 0.15 0.00 0.09 0.00 0.00 60.65 60.97 1ovy h LYS 107 Cb 1.12 -0.21 -0.12 0.00 0.10 0.00 0.00 32.23 33.13 1ovy h LYS 107 CO -0.00 0.61 0.04 0.00 -2.09 0.00 0.00 179.45 178.01 1ovy h ALA 108 N 1.53 0.75 0.59 0.07 0.00 -1.48 2.16 119.26 122.89 1ovy h ALA 108 Ca 0.49 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 1ovy h ALA 108 Cb 0.50 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ovy h ALA 108 CO -0.27 -0.39 -0.35 -0.07 0.00 0.00 0.00 179.25 178.16 1ovy h LEU 109 N 0.15 -0.88 -1.92 0.00 3.38 -1.61 0.54 115.31 114.96 1ovy h LEU 109 Ca 0.38 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ovy h LEU 109 Cb 0.64 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1ovy h LEU 109 CO -0.57 -0.54 0.00 0.00 0.09 0.00 0.00 178.44 177.41 1ovy h ALA 110 N -1.41 1.00 0.01 1.53 0.00 -1.42 -2.68 119.26 116.29 1ovy h ALA 110 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ovy h ALA 110 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ovy h ALA 110 CO 0.09 0.00 -0.00 0.22 0.00 0.00 0.00 179.25 179.55 1ovy h ASP 111 N 0.00 -0.01 -0.80 0.00 1.82 0.42 0.30 116.42 118.14 1ovy h ASP 111 Ca 0.00 -0.75 0.19 0.00 -0.39 0.00 0.00 57.03 56.08 1ovy h ASP 111 Cb 0.23 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 40.12 1ovy h ASP 111 CO 0.00 0.76 0.19 0.00 -1.61 0.00 0.00 179.24 178.58 1ovy h ALA 112 N 0.18 1.08 -0.02 -0.78 0.00 0.42 1.32 119.26 121.45 1ovy h ALA 112 Ca -0.00 0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 1ovy h ALA 112 Cb 0.76 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ovy h ALA 112 CO 0.00 -0.39 -0.81 0.00 0.00 0.00 0.00 179.25 178.05 1ovy h ALA 113 N 1.69 0.59 0.73 0.00 0.00 -1.58 -2.68 119.26 118.01 1ovy h ALA 113 Ca 0.48 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ovy h ALA 113 Cb 0.88 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ovy h ALA 113 CO -0.59 0.85 -0.35 -0.09 0.00 0.00 0.00 179.25 179.07 1ovy h ARG 114 N 0.15 -0.95 -0.53 0.00 9.65 0.51 -1.28 114.38 121.93 1ovy h ARG 114 Ca -0.04 0.06 0.10 0.00 -1.10 0.00 0.00 59.98 59.01 1ovy h ARG 114 Cb 1.40 0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 30.17 1ovy h ARG 114 CO 0.13 -0.63 0.36 1.49 2.80 0.00 0.00 179.97 184.12 1ovy h GLU 115 N -1.02 0.29 0.00 0.20 4.81 0.76 0.36 114.58 119.99 1ovy h GLU 115 Ca -0.10 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1ovy h GLU 115 Cb 0.75 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1ovy h GLU 115 CO 0.17 0.19 -0.24 0.00 -0.73 0.00 0.00 179.01 178.40 1ovy h ALA 116 N 1.73 1.20 0.00 2.92 0.00 -1.27 -3.46 119.26 120.39 1ovy h ALA 116 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ovy h ALA 116 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ovy h ALA 116 CO -0.06 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1ovy n GLY 117 N -0.31 0.58 3.55 0.00 0.00 0.12 -4.96 105.19 104.17 1ovy n GLY 117 Ca -0.01 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1ovy n GLY 117 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ovy s LEU 118 N 0.00 3.24 -0.17 0.99 2.96 -0.90 -2.73 118.68 122.07 1ovy s LEU 118 Ca 0.00 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1ovy s LEU 118 Cb 0.00 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.21 1ovy s LEU 118 CO 0.00 -2.18 0.09 -1.61 -1.32 0.00 0.00 176.35 171.33 1ovy s GLU 119 N 6.54 0.06 0.00 1.98 0.41 -1.16 -4.94 118.70 121.59 1ovy s GLU 119 Ca 0.55 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 1ovy s GLU 119 Cb -0.11 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 1ovy s GLU 119 CO 0.17 -0.66 0.00 1.19 -0.49 0.00 0.00 175.26 175.47