#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 -4.91 114.28 116.38 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 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1ovy n THR 25 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1ovy n THR 26 N 0.00 0.00 -3.17 1.09 5.66 -1.26 -5.11 114.28 111.49 1ovy n THR 26 Ca -0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1ovy n THR 26 Cb 0.62 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.38 1ovy n THR 26 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1ovy s GLU 27 N 0.00 0.07 0.18 1.09 -6.30 -1.26 -5.13 118.70 107.36 1ovy s GLU 27 Ca 0.00 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 52.62 1ovy s GLU 27 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 34.13 34.21 1ovy s GLU 27 CO 0.00 -0.07 0.00 0.54 0.02 0.00 0.00 175.26 175.75 1ovy n ARG 28 N 5.27 -5.07 -3.34 4.30 1.74 -1.26 -4.81 116.66 113.49 1ovy n ARG 28 Ca -0.08 3.57 -0.38 0.00 -0.77 0.00 0.00 57.85 60.19 1ovy n ARG 28 Cb 0.55 -3.94 -0.06 0.00 -1.02 0.00 0.00 32.46 27.99 1ovy n ARG 28 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ovy s PRO 29 N -0.47 4.10 -0.47 5.56 0.04 -1.26 -4.41 135.00 138.09 1ovy s PRO 29 Ca 0.00 0.62 0.07 0.00 0.04 0.00 0.00 61.00 61.73 1ovy s PRO 29 Cb 0.00 -3.19 0.24 0.00 0.04 0.00 0.00 34.50 31.59 1ovy s PRO 29 CO 0.00 0.63 0.57 2.89 0.04 0.00 0.00 177.00 181.14 1ovy n ARG 30 N 1.62 1.22 -3.65 4.56 0.00 -1.26 -4.65 116.66 114.50 1ovy n ARG 30 Ca -0.11 -3.66 -0.14 0.00 -0.00 0.00 0.00 57.85 53.95 1ovy n ARG 30 Cb 0.51 -1.55 -0.08 0.00 -0.00 0.00 0.00 32.46 31.34 1ovy n ARG 30 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1ovy s LEU 31 N -1.48 -0.45 -0.21 2.89 1.98 -1.22 -3.03 118.68 117.14 1ovy s LEU 31 Ca 0.36 1.27 -0.01 0.00 -2.89 0.00 0.00 54.13 52.85 1ovy s LEU 31 Cb 0.15 2.21 0.06 0.00 0.66 0.00 0.00 46.19 49.27 1ovy s LEU 31 CO -0.09 -0.24 -0.00 -0.44 -1.89 0.00 0.00 176.35 173.69 1ovy s SER 32 N 0.27 3.35 -0.35 3.68 0.01 0.39 -4.55 113.70 116.50 1ovy s SER 32 Ca -0.00 -1.00 -0.05 0.00 1.31 0.00 0.00 55.95 56.21 1ovy s SER 32 Cb -0.04 -0.86 0.06 0.00 0.21 0.00 0.00 66.02 65.39 1ovy s SER 32 CO 0.01 -0.28 0.10 -0.69 0.41 0.00 0.00 173.24 172.80 1ovy s VAL 33 N 1.65 3.50 0.22 3.43 1.01 -1.26 -1.44 120.40 127.50 1ovy s VAL 33 Ca -0.03 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.60 1ovy s VAL 33 Cb -0.18 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1ovy s VAL 33 CO -0.07 -0.27 -0.01 -0.36 0.00 0.00 0.00 175.10 174.38 1ovy s PHE 34 N 1.32 1.49 -0.27 5.22 0.40 -0.97 -4.54 117.98 120.64 1ovy s PHE 34 Ca -0.01 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.38 1ovy s PHE 34 Cb -0.20 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.50 1ovy s PHE 34 CO 0.00 -0.04 -0.01 -0.98 0.70 0.00 0.00 175.22 174.89 1ovy s ARG 35 N -3.85 2.87 1.09 0.44 1.70 -1.26 0.14 118.95 120.08 1ovy s ARG 35 Ca 0.27 -0.97 -0.18 0.00 -0.47 0.00 0.00 55.73 54.38 1ovy s ARG 35 Cb 0.05 -3.12 0.25 0.00 -0.57 0.00 0.00 34.95 31.56 1ovy s ARG 35 CO 0.07 -0.43 1.21 0.45 -1.08 0.00 0.00 175.30 175.52 1ovy s SER 36 N 1.37 1.92 0.00 -2.89 0.15 0.17 -4.74 113.70 109.68 1ovy s SER 36 Ca 0.00 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1ovy s SER 36 Cb -0.17 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1ovy s SER 36 CO -0.02 -3.49 0.14 0.59 1.20 0.00 0.00 173.24 171.66 1ovy n ASN 37 N -4.30 0.00 -2.31 5.45 3.02 -1.26 -3.24 115.26 112.62 1ovy n ASN 37 Ca 0.14 0.14 -0.30 0.00 -0.03 0.00 0.00 54.58 54.54 1ovy n ASN 37 Cb 0.59 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.80 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ovy n LYS 38 N -0.30 3.22 -3.52 3.52 4.01 -1.26 -4.93 118.16 118.89 1ovy n LYS 38 Ca 0.00 -3.91 -0.00 0.00 -0.51 0.00 0.00 58.31 53.89 1ovy n LYS 38 Cb 0.00 -2.28 -0.05 0.00 -0.51 0.00 0.00 35.03 32.19 1ovy n LYS 38 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1ovy s HIS 39 N -3.71 -0.53 0.11 2.13 -3.43 -1.20 -4.66 115.29 104.00 1ovy s HIS 39 Ca 0.54 0.99 -0.31 0.00 -0.80 0.00 0.00 55.06 55.48 1ovy s HIS 39 Cb 0.44 0.32 -0.09 0.00 -1.43 0.00 0.00 32.58 31.82 1ovy s HIS 39 CO -0.08 -0.26 1.60 0.42 -2.00 0.00 0.00 174.74 174.42 1ovy s ILE 40 N 1.78 2.86 -0.01 -5.38 1.01 -1.26 0.43 121.20 120.62 1ovy s ILE 40 Ca -0.06 0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.82 1ovy s ILE 40 Cb -0.04 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1ovy s ILE 40 CO -0.15 0.02 0.78 -0.47 0.00 0.00 0.00 174.94 175.11 1ovy s TYR 41 N 1.89 3.65 -0.13 3.97 6.14 0.37 -4.68 117.35 128.56 1ovy s TYR 41 Ca 0.72 1.42 -0.07 0.00 0.64 0.00 0.00 57.07 59.78 1ovy s TYR 41 Cb -0.41 -2.87 -0.04 0.00 0.42 0.00 0.00 41.96 39.05 1ovy s TYR 41 CO 0.32 0.13 0.11 0.00 0.64 0.00 0.00 175.55 176.75 1ovy s ALA 42 N 0.55 3.74 -0.35 3.97 0.00 -1.17 -2.29 121.76 126.22 1ovy s ALA 42 Ca 0.41 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1ovy s ALA 42 Cb -0.19 -1.92 0.19 0.00 0.00 0.00 0.00 23.12 21.20 1ovy s ALA 42 CO 0.22 0.53 0.77 -1.14 0.00 0.00 0.00 175.76 176.14 1ovy s GLN 43 N -0.76 0.52 0.27 0.00 0.74 -0.52 -2.38 119.66 117.53 1ovy s GLN 43 Ca 0.13 0.04 -0.29 0.00 0.05 0.00 0.00 55.36 55.29 1ovy s GLN 43 Cb -0.12 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 34.01 1ovy s GLN 43 CO 0.03 -0.82 1.05 0.42 -0.55 0.00 0.00 175.29 175.42 1ovy s ILE 44 N 2.28 3.65 -0.03 -2.34 1.01 -0.25 0.15 121.20 125.68 1ovy s ILE 44 Ca 0.16 1.65 0.08 0.00 0.00 0.00 0.00 60.65 62.54 1ovy s ILE 44 Cb -0.04 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1ovy s ILE 44 CO -0.16 0.38 -0.25 -0.51 0.00 0.00 0.00 174.94 174.40 1ovy s ILE 45 N -1.19 2.10 1.02 2.92 1.10 -0.66 -0.59 121.20 125.91 1ovy s ILE 45 Ca 0.44 -1.08 -0.20 0.00 -0.51 0.00 0.00 60.65 59.30 1ovy s ILE 45 Cb -0.30 -1.73 -0.06 0.00 0.15 0.00 0.00 42.46 40.52 1ovy s ILE 45 CO 0.38 0.58 -0.57 -0.90 -2.11 0.00 0.00 174.94 172.32 1ovy n ASP 46 N 2.49 -3.41 0.00 4.50 5.68 0.14 -3.46 116.55 122.49 1ovy n ASP 46 Ca -0.16 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1ovy n ASP 46 Cb 0.51 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1ovy n ASP 46 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ovy n ASP 47 N 1.17 0.00 -0.07 -1.12 2.03 -1.26 -4.22 116.55 113.07 1ovy n ASP 47 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1ovy n ASP 47 Cb 0.63 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.88 1ovy n ASP 47 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ovy n THR 48 N 0.00 1.37 -0.10 5.18 -2.24 -1.26 -4.72 114.28 112.52 1ovy n THR 48 Ca 0.00 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 60.83 1ovy n THR 48 Cb 0.00 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.80 0.54 0.00 -0.78 3.00 -1.26 -5.04 118.16 111.82 1ovy n LYS 49 Ca -0.27 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1ovy n LYS 49 Cb 1.10 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.69 1ovy n LYS 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1ovy n SER 50 N -4.42 0.00 -3.59 3.14 3.41 -1.26 -5.03 113.62 105.87 1ovy n SER 50 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1ovy n SER 50 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1ovy n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ovy n ALA 51 N 0.00 0.00 -1.99 7.33 0.00 -1.26 -4.34 120.51 120.24 1ovy n ALA 51 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1ovy n ALA 51 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.22 2.87 -0.28 0.00 -4.23 -1.26 -3.95 115.64 108.56 1ovy s THR 52 Ca 0.00 0.65 0.12 0.00 -1.18 0.00 0.00 61.69 61.28 1ovy s THR 52 Cb 0.00 -3.42 0.70 0.00 1.34 0.00 0.00 72.50 71.12 1ovy s THR 52 CO 0.00 0.07 1.70 -0.38 -0.54 0.00 0.00 174.62 175.47 1ovy n ILE 53 N 3.44 2.76 -2.21 2.99 5.41 -1.20 0.27 119.36 130.83 1ovy n ILE 53 Ca 0.11 -1.74 0.00 0.00 1.00 0.00 0.00 62.75 62.11 1ovy n ILE 53 Cb 0.40 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 1ovy n ILE 53 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1ovy n VAL 54 N -0.17 0.00 0.00 1.39 3.14 0.25 -4.87 118.33 118.06 1ovy n VAL 54 Ca 0.35 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 1ovy n VAL 54 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.02 1ovy n VAL 54 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ovy n SER 55 N 0.00 0.00 -3.65 6.55 2.88 -1.26 -1.09 113.62 117.06 1ovy n SER 55 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ovy n SER 55 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -2.23 -0.30 -1.46 0.00 -1.00 -4.85 121.76 110.92 1ovy s ALA 56 Ca 0.00 1.69 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 1ovy s ALA 56 Cb 0.00 -1.79 0.17 0.00 0.00 0.00 0.00 23.12 21.50 1ovy s ALA 56 CO 0.00 -0.10 0.96 -1.12 0.00 0.00 0.00 175.76 175.50 1ovy s SER 57 N -0.09 -0.63 -0.36 0.00 0.01 -1.26 -3.02 113.70 108.34 1ovy s SER 57 Ca 0.08 0.79 -0.05 0.00 1.31 0.00 0.00 55.95 58.08 1ovy s SER 57 Cb -0.05 1.69 0.05 0.00 0.21 0.00 0.00 66.02 67.92 1ovy s SER 57 CO -0.16 -0.12 0.11 1.07 0.41 0.00 0.00 173.24 174.56 1ovy n THR 58 N 5.08 0.00 0.00 1.44 5.66 -1.26 -4.38 114.28 120.81 1ovy n THR 58 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1ovy n THR 58 Cb 0.52 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1ovy n THR 58 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ovy n LEU 59 N -2.24 0.23 -4.29 1.09 4.32 -1.26 -4.16 117.00 110.69 1ovy n LEU 59 Ca 0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.69 1ovy n LEU 59 Cb 0.37 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 42.33 1ovy n LEU 59 CO 0.19 -0.10 -0.50 -0.67 -1.22 0.00 0.00 177.39 175.08 1ovy n ASP 60 N -1.92 -2.36 -0.06 -1.43 2.03 -1.26 -4.80 116.55 106.74 1ovy n ASP 60 Ca 0.00 -0.04 -0.20 0.00 0.52 0.00 0.00 54.79 55.06 1ovy n ASP 60 Cb 0.06 -0.99 -0.13 0.00 -0.72 0.00 0.00 41.12 39.34 1ovy n ASP 60 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ovy h LYS 61 N -1.96 0.08 -0.91 -0.67 1.57 -1.99 -3.37 116.57 109.32 1ovy h LYS 61 Ca -0.52 -0.13 0.23 0.00 -1.87 0.00 0.00 60.65 58.36 1ovy h LYS 61 Cb 1.35 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.65 1ovy h LYS 61 CO 0.37 1.06 0.62 0.93 -0.57 0.00 0.00 179.45 181.86 1ovy h GLU 62 N -0.77 0.26 -0.56 3.15 4.39 -2.02 -1.75 114.58 117.28 1ovy h GLU 62 Ca -0.27 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.53 1ovy h GLU 62 Cb 1.40 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.88 1ovy h GLU 62 CO -0.08 0.17 -0.18 0.74 -1.16 0.00 0.00 179.01 178.50 1ovy h PHE 63 N 0.27 -0.42 0.00 4.33 -1.00 -1.93 -3.47 116.94 114.72 1ovy h PHE 63 Ca 0.46 0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.30 1ovy h PHE 63 Cb 1.38 0.27 0.00 0.00 3.61 0.00 0.00 35.95 41.21 1ovy h PHE 63 CO -0.00 -0.28 0.00 0.41 -1.61 0.00 0.00 178.31 176.83 1ovy n GLY 64 N -1.41 1.24 2.16 -1.45 0.00 -0.66 -4.79 105.19 100.29 1ovy n GLY 64 Ca 0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1ovy n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ovy n LEU 65 N 0.00 -1.00 -1.44 0.99 7.94 -1.26 -4.23 117.00 118.00 1ovy n LEU 65 Ca 0.00 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1ovy n LEU 65 Cb 0.00 -1.99 0.00 0.00 0.53 0.00 0.00 43.42 41.96 1ovy n LEU 65 CO 0.00 -0.40 -0.34 0.47 -1.11 0.00 0.00 177.39 176.00 1ovy n ASP 66 N -1.03 -7.22 0.00 1.96 8.00 -1.26 -5.03 116.55 111.96 1ovy n ASP 66 Ca -0.13 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.34 1ovy n ASP 66 Cb 0.50 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1ovy n ASP 66 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ovy n SER 67 N 0.63 0.00 0.00 -2.24 3.41 -1.26 -4.98 113.62 109.19 1ovy n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ovy n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ovy n SER 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ovy n THR 68 N 0.00 0.00 -2.82 6.66 -1.04 -1.26 -4.74 114.28 111.08 1ovy n THR 68 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1ovy n THR 68 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1ovy n THR 68 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ovy n ASN 69 N 1.62 -4.13 -0.90 8.00 5.03 -1.26 -3.96 115.26 119.66 1ovy n ASN 69 Ca 0.00 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.61 1ovy n ASN 69 Cb 0.00 -3.84 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 1ovy n ASN 69 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1ovy n ASN 70 N 1.79 -5.00 0.31 6.41 4.05 -1.26 -4.22 115.26 117.34 1ovy n ASN 70 Ca -0.20 0.95 0.15 0.00 0.45 0.00 0.00 54.58 55.92 1ovy n ASN 70 Cb 0.36 -2.42 0.74 0.00 1.23 0.00 0.00 39.78 39.69 1ovy n ASN 70 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1ovy h ILE 71 N 0.38 0.04 -0.76 -1.44 6.09 -1.91 -2.67 117.51 117.23 1ovy h ILE 71 Ca 0.00 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.63 1ovy h ILE 71 Cb 0.37 0.60 -0.14 0.00 0.47 0.00 0.00 36.82 38.12 1ovy h ILE 71 CO 0.00 0.00 -0.27 -0.08 -3.07 0.00 0.00 178.15 174.73 1ovy h GLU 72 N 0.00 -0.05 0.08 2.19 4.81 -1.87 0.46 114.58 120.19 1ovy h GLU 72 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ovy h GLU 72 Cb 0.84 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1ovy h GLU 72 CO -0.00 -0.03 -0.04 0.00 -0.73 0.00 0.00 179.01 178.21 1ovy h ALA 73 N 1.47 -0.10 -0.81 2.92 0.00 -1.60 0.16 119.26 121.30 1ovy h ALA 73 Ca 0.33 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.36 1ovy h ALA 73 Cb 0.58 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ovy h ALA 73 CO -0.80 -0.45 0.60 0.00 0.00 0.00 0.00 179.25 178.59 1ovy h ALA 74 N 0.59 2.75 0.00 0.00 0.00 -1.25 0.84 119.26 122.20 1ovy h ALA 74 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1ovy h ALA 74 Cb 0.27 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ovy h ALA 74 CO 0.02 -1.01 -1.15 -0.22 0.00 0.00 0.00 179.25 176.89 1ovy h LYS 75 N 0.00 0.00 0.25 0.00 3.64 0.43 -0.80 116.57 120.09 1ovy h LYS 75 Ca 0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1ovy h LYS 75 Cb 1.57 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 1ovy h LYS 75 CO -0.00 0.61 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.27 1ovy h LYS 76 N 0.00 -0.54 0.04 1.90 3.64 0.37 -0.06 116.57 121.92 1ovy h LYS 76 Ca -0.11 0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.04 1ovy h LYS 76 Cb 1.70 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.62 1ovy h LYS 76 CO 0.09 -0.36 -1.38 0.28 -2.27 0.00 0.00 179.45 175.81 1ovy h VAL 77 N -0.56 1.28 -0.90 2.00 2.07 -1.68 -3.14 116.25 115.32 1ovy h VAL 77 Ca -0.03 -3.01 0.26 0.00 0.82 0.00 0.00 66.70 64.75 1ovy h VAL 77 Cb 0.49 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1ovy h VAL 77 CO -0.06 0.79 0.65 1.23 0.02 0.00 0.00 177.57 180.20 1ovy h GLY 78 N 2.66 0.00 0.06 2.17 0.00 -1.13 0.38 103.07 107.21 1ovy h GLY 78 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1ovy h GLY 78 CO 0.13 0.00 -0.02 -2.09 0.00 0.00 0.00 176.54 174.56 1ovy h GLU 79 N 0.00 0.01 0.02 4.80 4.57 -1.02 -2.17 114.58 120.79 1ovy h GLU 79 Ca 0.43 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.62 1ovy h GLU 79 Cb 1.73 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.27 1ovy h GLU 79 CO -0.00 0.96 -0.44 -0.07 -1.18 0.00 0.00 179.01 178.28 1ovy h LEU 80 N -0.94 -1.32 -1.92 1.64 4.07 -0.69 0.24 115.31 116.39 1ovy h LEU 80 Ca -0.00 0.16 0.09 0.00 0.08 0.00 0.00 57.88 58.20 1ovy h LEU 80 Cb 0.97 0.51 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 1ovy h LEU 80 CO 0.00 -0.48 0.26 1.62 -1.08 0.00 0.00 178.44 178.77 1ovy h VAL 81 N -0.61 0.86 0.68 1.22 3.04 -0.53 -1.36 116.25 119.56 1ovy h VAL 81 Ca 0.04 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.67 1ovy h VAL 81 Cb 0.67 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1ovy h VAL 81 CO -0.31 0.02 -0.40 0.00 -1.01 0.00 0.00 177.57 175.87 1ovy h ALA 82 N 1.81 -1.03 -0.20 3.17 0.00 0.11 0.15 119.26 123.26 1ovy h ALA 82 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ovy h ALA 82 Cb 0.57 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ovy h ALA 82 CO -0.02 -1.09 0.08 -0.22 0.00 0.00 0.00 179.25 178.00 1ovy h LYS 83 N -1.01 0.28 0.00 0.00 3.64 -0.63 0.37 116.57 119.21 1ovy h LYS 83 Ca -0.09 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1ovy h LYS 83 Cb 0.81 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1ovy h LYS 83 CO 0.10 0.23 -0.31 0.00 -2.27 0.00 0.00 179.45 177.21 1ovy h ARG 84 N 0.28 0.00 -0.24 1.90 3.08 -0.68 -2.46 114.38 116.26 1ovy h ARG 84 Ca 0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1ovy h ARG 84 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1ovy h ARG 84 CO -0.01 0.31 -0.05 0.00 -1.07 0.00 0.00 179.97 179.15 1ovy h ALA 85 N 1.69 0.33 0.00 0.04 0.00 0.15 -1.66 119.26 119.81 1ovy h ALA 85 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ovy h ALA 85 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ovy h ALA 85 CO 0.04 0.12 -0.03 1.37 0.00 0.00 0.00 179.25 180.74 1ovy h LEU 86 N 0.20 0.00 -0.02 0.00 8.10 -1.26 -2.33 115.31 119.99 1ovy h LEU 86 Ca 0.06 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.83 1ovy h LEU 86 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.71 1ovy h LEU 86 CO 0.02 0.03 -1.04 -0.33 -4.11 0.00 0.00 178.44 173.01 1ovy h GLU 87 N 0.00 0.10 0.00 0.17 5.08 -1.13 -3.13 114.58 115.67 1ovy h GLU 87 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ovy h GLU 87 Cb 0.49 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ovy h GLU 87 CO 0.00 1.05 0.00 1.63 -1.00 0.00 0.00 179.01 180.69 1ovy n LYS 88 N -3.45 0.00 0.00 2.33 4.76 -0.65 -4.64 118.16 116.51 1ovy n LYS 88 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1ovy n LYS 88 Cb 0.94 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 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 1.75 -2.99 0.00 0.72 0.00 -1.10 -4.89 105.19 98.68 1ovy n GLY 89 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ovy n GLY 89 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ovy n ILE 90 N -1.74 0.00 -4.26 -0.61 3.06 -1.21 -4.95 119.36 109.65 1ovy n ILE 90 Ca 0.00 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.10 1ovy n ILE 90 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 1ovy n ILE 90 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1ovy s LYS 91 N -0.79 1.42 1.37 9.51 1.02 -1.19 -4.72 119.74 126.37 1ovy s LYS 91 Ca 0.00 -1.79 -0.20 0.00 0.02 0.00 0.00 55.97 54.00 1ovy s LYS 91 Cb 0.00 0.17 0.35 0.00 -0.52 0.00 0.00 37.83 37.83 1ovy s LYS 91 CO 0.00 -0.45 0.95 -1.14 -0.92 0.00 0.00 175.35 173.78 1ovy s GLN 92 N -3.92 -2.52 0.48 1.68 2.00 -1.12 -3.53 119.66 112.73 1ovy s GLN 92 Ca 0.39 0.33 0.07 0.00 -2.00 0.00 0.00 55.36 54.15 1ovy s GLN 92 Cb 0.06 -1.41 0.01 0.00 0.80 0.00 0.00 33.01 32.47 1ovy s GLN 92 CO 0.17 -4.65 0.43 0.14 -0.50 0.00 0.00 175.29 170.87 1ovy s VAL 93 N -2.29 2.26 -0.17 1.34 -7.23 -1.25 -4.18 120.40 108.88 1ovy s VAL 93 Ca 0.69 -1.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1ovy s VAL 93 Cb -0.17 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1ovy s VAL 93 CO 0.60 0.00 -0.06 0.54 -0.31 0.00 0.00 175.10 175.87 1ovy s VAL 94 N -2.60 3.51 0.63 1.32 0.11 -1.26 -4.45 120.40 117.67 1ovy s VAL 94 Ca 0.45 -0.48 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 1ovy s VAL 94 Cb -0.03 -2.54 -0.07 0.00 -1.53 0.00 0.00 36.38 32.21 1ovy s VAL 94 CO 0.27 0.47 0.51 2.22 -3.33 0.00 0.00 175.10 175.24 1ovy n PHE 95 N 4.00 -0.80 -3.14 1.54 1.16 -1.26 -4.11 117.46 114.85 1ovy n PHE 95 Ca -0.18 0.40 -0.03 0.00 -1.87 0.00 0.00 57.45 55.77 1ovy n PHE 95 Cb 0.52 -1.93 0.01 0.00 -1.61 0.00 0.00 39.48 36.47 1ovy n PHE 95 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1ovy n ASP 96 N 0.25 0.57 -0.28 5.98 2.03 -1.26 -4.89 116.55 118.94 1ovy n ASP 96 Ca 0.11 -1.26 0.10 0.00 0.52 0.00 0.00 54.79 54.26 1ovy n ASP 96 Cb 0.49 -0.05 0.25 0.00 -0.72 0.00 0.00 41.12 41.08 1ovy n ASP 96 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ovy h ARG 97 N 0.00 0.23 0.15 -0.67 3.08 -1.95 0.20 114.38 115.42 1ovy h ARG 97 Ca -0.05 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1ovy h ARG 97 Cb 0.20 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1ovy h ARG 97 CO 0.07 0.15 -0.30 0.78 -1.07 0.00 0.00 179.97 179.60 1ovy h GLY 98 N 0.23 -0.58 -0.88 0.04 0.00 -1.94 -3.42 103.07 96.52 1ovy h GLY 98 Ca 0.51 0.35 -0.43 0.00 0.00 0.00 0.00 47.33 47.76 1ovy h GLY 98 CO -0.61 -0.24 0.23 -0.32 0.00 0.00 0.00 176.54 175.60 1ovy s GLY 99 N -2.40 1.65 0.00 4.60 0.00 0.06 -4.91 107.32 106.31 1ovy s GLY 99 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1ovy s GLY 99 CO 0.65 -0.19 0.00 1.58 0.00 0.00 0.00 173.10 175.14 1ovy n TYR 100 N -4.41 0.00 -0.32 1.90 4.11 -1.26 -4.60 117.16 112.57 1ovy n TYR 100 Ca 0.14 0.00 0.34 0.00 -0.00 0.00 0.00 57.90 58.37 1ovy n TYR 100 Cb 0.59 0.00 0.72 0.00 -0.00 0.00 0.00 39.34 40.65 1ovy n TYR 100 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 1ovy h LEU 101 N 0.00 0.07 0.00 -3.48 6.46 -1.97 -3.47 115.31 112.91 1ovy h LEU 101 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1ovy h LEU 101 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1ovy h LEU 101 CO 0.00 0.01 0.00 -1.22 -0.62 0.00 0.00 178.44 176.61 1ovy n TYR 102 N -4.25 0.00 0.00 1.25 4.01 -1.26 -5.09 117.16 111.81 1ovy n TYR 102 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1ovy n TYR 102 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.23 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 0.20 0.00 0.00 -0.72 -0.00 -1.26 -5.03 115.22 108.41 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 0.81 0.08 1.57 0.00 -1.26 -4.96 105.19 101.43 1ovy n GLY 104 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.47 -0.32 1.61 3.00 -1.26 -4.16 116.66 116.00 1ovy n ARG 105 Ca 0.00 0.52 0.15 0.00 -0.01 0.00 0.00 57.85 58.51 1ovy n ARG 105 Cb 0.00 -1.69 0.31 0.00 0.00 0.00 0.00 32.46 31.08 1ovy n ARG 105 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1ovy h VAL 106 N -1.00 0.12 -0.41 1.55 -1.51 -1.97 -0.04 116.25 112.99 1ovy h VAL 106 Ca -0.04 -0.02 0.04 0.00 -1.23 0.00 0.00 66.70 65.45 1ovy h VAL 106 Cb 0.62 0.05 -0.07 0.00 -2.13 0.00 0.00 31.29 29.76 1ovy h VAL 106 CO -0.03 0.01 -0.40 0.07 -1.23 0.00 0.00 177.57 176.00 1ovy h LYS 107 N 0.07 -0.19 -1.26 5.19 -0.00 -1.91 0.15 116.57 118.61 1ovy h LYS 107 Ca 0.59 0.01 0.37 0.00 -0.00 0.00 0.00 60.65 61.62 1ovy h LYS 107 Cb 1.25 0.04 -0.05 0.00 -0.00 0.00 0.00 32.23 33.47 1ovy h LYS 107 CO -0.82 -0.12 1.15 0.00 -0.00 0.00 0.00 179.45 179.65 1ovy h ALA 108 N -0.28 3.16 0.19 0.07 0.00 -1.15 2.08 119.26 123.33 1ovy h ALA 108 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ovy h ALA 108 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ovy h ALA 108 CO -0.49 -1.80 -0.09 1.25 0.00 0.00 0.00 179.25 178.12 1ovy h LEU 109 N 0.00 -0.22 -0.22 0.00 6.46 -0.75 0.91 115.31 121.50 1ovy h LEU 109 Ca 0.60 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.37 1ovy h LEU 109 Cb 2.88 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 42.87 1ovy h LEU 109 CO -0.01 -0.11 0.00 0.00 -0.62 0.00 0.00 178.44 177.70 1ovy h ALA 110 N -1.80 1.00 0.14 1.25 0.00 -1.18 -2.91 119.26 115.77 1ovy h ALA 110 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1ovy h ALA 110 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ovy h ALA 110 CO 0.04 0.00 -1.27 0.22 0.00 0.00 0.00 179.25 178.24 1ovy h ASP 111 N 0.00 0.52 -0.70 0.00 3.58 0.33 0.11 116.42 120.26 1ovy h ASP 111 Ca 0.00 -0.55 0.11 0.00 0.42 0.00 0.00 57.03 57.01 1ovy h ASP 111 Cb 0.79 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 41.59 1ovy h ASP 111 CO 0.00 1.42 0.30 0.00 -2.88 0.00 0.00 179.24 178.08 1ovy h ALA 112 N 0.50 0.96 -0.40 -0.78 0.00 0.11 1.49 119.26 121.13 1ovy h ALA 112 Ca -0.15 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1ovy h ALA 112 Cb 1.98 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1ovy h ALA 112 CO 0.22 -0.15 -0.29 0.00 0.00 0.00 0.00 179.25 179.03 1ovy h ALA 113 N 1.47 0.73 0.54 0.00 0.00 -1.53 -2.68 119.26 117.79 1ovy h ALA 113 Ca 0.36 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ovy h ALA 113 Cb 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ovy h ALA 113 CO -0.33 0.66 -0.34 -0.09 0.00 0.00 0.00 179.25 179.16 1ovy h ARG 114 N 0.73 -0.79 -0.54 0.00 2.43 0.28 -1.78 114.38 114.71 1ovy h ARG 114 Ca 0.08 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.42 1ovy h ARG 114 Cb 0.84 0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 30.48 1ovy h ARG 114 CO 0.07 -0.53 -0.01 1.05 -1.51 0.00 0.00 179.97 179.05 1ovy h GLU 115 N -0.82 0.10 -0.32 0.20 4.11 0.16 1.03 114.58 119.04 1ovy h GLU 115 Ca -0.07 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.44 1ovy h GLU 115 Cb 0.66 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ovy h GLU 115 CO 0.07 0.07 0.27 0.00 0.07 0.00 0.00 179.01 179.49 1ovy h ALA 116 N 1.49 2.13 0.00 1.06 0.00 -1.42 -3.42 119.26 119.09 1ovy h ALA 116 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ovy h ALA 116 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ovy h ALA 116 CO -0.46 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 178.76 1ovy n GLY 117 N -1.52 0.11 3.55 0.00 0.00 0.23 -5.08 105.19 102.47 1ovy n GLY 117 Ca 0.05 0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 3.25 -0.23 0.99 1.98 0.29 -4.33 118.68 120.63 1ovy s LEU 118 Ca 0.00 -0.04 -0.03 0.00 -2.89 0.00 0.00 54.13 51.17 1ovy s LEU 118 Cb 0.00 -2.54 0.08 0.00 0.66 0.00 0.00 46.19 44.38 1ovy s LEU 118 CO 0.00 -2.21 0.08 -1.61 -1.89 0.00 0.00 176.35 170.72 1ovy s GLU 119 N 6.57 0.42 0.00 1.98 2.02 -1.26 -5.03 118.70 123.39 1ovy s GLU 119 Ca 0.57 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1ovy s GLU 119 Cb -0.10 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1ovy s GLU 119 CO 0.16 -0.79 0.00 1.19 0.02 0.00 0.00 175.26 175.84