#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 0.29 0.00 2.61 5.66 -1.26 -3.45 114.28 118.12 1ovy n THR 25 Ca 0.00 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 1ovy n THR 25 Cb 0.00 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 69.75 1ovy n THR 25 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ovy n THR 26 N 0.27 0.00 0.00 1.09 -2.24 -1.26 -5.03 114.28 107.11 1ovy n THR 26 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1ovy n THR 26 Cb 1.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1ovy n THR 26 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ovy n GLU 27 N 0.00 0.00 -2.96 -0.78 4.07 -1.26 -4.95 120.64 114.76 1ovy n GLU 27 Ca 0.00 0.18 -0.01 0.00 -0.06 0.00 0.00 57.16 57.26 1ovy n GLU 27 Cb 0.00 -0.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.69 1ovy n GLU 27 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1ovy s ARG 28 N -0.39 0.87 -0.34 5.31 0.52 -1.26 -4.99 118.95 118.66 1ovy s ARG 28 Ca 0.00 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.33 1ovy s ARG 28 Cb 0.00 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 1ovy s ARG 28 CO 0.00 -1.15 2.10 -2.14 0.02 0.00 0.00 175.30 174.13 1ovy s PRO 29 N 1.38 2.93 0.00 3.54 0.02 -1.22 -4.43 135.00 137.21 1ovy s PRO 29 Ca 0.22 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1ovy s PRO 29 Cb -0.01 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.14 1ovy s PRO 29 CO -0.07 -2.34 0.00 2.89 -0.33 0.00 0.00 177.00 177.15 1ovy n ARG 30 N 8.76 0.00 -2.16 5.54 1.85 -0.12 -4.16 116.66 126.37 1ovy n ARG 30 Ca 0.28 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.72 1ovy n ARG 30 Cb 0.48 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 4.43 -0.24 2.89 2.96 -0.99 -2.54 118.68 125.19 1ovy s LEU 31 Ca 0.00 2.55 0.01 0.00 -0.22 0.00 0.00 54.13 56.47 1ovy s LEU 31 Cb 0.00 -3.63 0.04 0.00 0.50 0.00 0.00 46.19 43.10 1ovy s LEU 31 CO 0.00 -0.53 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.44 1ovy s SER 32 N -0.08 4.05 -0.38 3.68 1.04 0.32 0.18 113.70 122.51 1ovy s SER 32 Ca 0.53 -1.03 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 1ovy s SER 32 Cb -0.38 -1.57 0.06 0.00 0.10 0.00 0.00 66.02 64.22 1ovy s SER 32 CO 0.45 -0.12 0.18 0.68 0.98 0.00 0.00 173.24 175.41 1ovy s VAL 33 N 1.23 4.02 0.20 5.02 -7.23 -1.26 -1.88 120.40 120.50 1ovy s VAL 33 Ca -0.02 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1ovy s VAL 33 Cb -0.17 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 1ovy s VAL 33 CO -0.07 -0.33 -0.05 0.72 -0.31 0.00 0.00 175.10 175.06 1ovy s PHE 34 N 1.42 1.48 -0.38 2.82 -0.71 -1.05 -3.78 117.98 117.78 1ovy s PHE 34 Ca 0.01 -0.84 -0.12 0.00 -1.04 0.00 0.00 56.93 54.94 1ovy s PHE 34 Cb -0.21 -0.82 0.02 0.00 -1.21 0.00 0.00 43.02 40.81 1ovy s PHE 34 CO 0.03 0.03 0.23 1.03 -1.34 0.00 0.00 175.22 175.21 1ovy s ARG 35 N -3.81 2.90 1.02 1.99 0.52 -1.26 0.66 118.95 120.98 1ovy s ARG 35 Ca 0.24 -1.04 -0.15 0.00 -0.52 0.00 0.00 55.73 54.25 1ovy s ARG 35 Cb 0.04 -3.80 0.20 0.00 0.52 0.00 0.00 34.95 31.91 1ovy s ARG 35 CO 0.06 -0.70 1.16 -1.12 0.02 0.00 0.00 175.30 174.72 1ovy s SER 36 N 1.60 2.50 -0.67 0.23 0.01 0.51 -4.82 113.70 113.05 1ovy s SER 36 Ca 0.03 0.74 -0.25 0.00 1.31 0.00 0.00 55.95 57.77 1ovy s SER 36 Cb -0.19 -1.11 -0.13 0.00 0.21 0.00 0.00 66.02 64.80 1ovy s SER 36 CO 0.08 -3.16 2.43 -0.46 0.41 0.00 0.00 173.24 172.54 1ovy n ASN 37 N -4.13 1.68 0.00 2.44 2.04 -1.26 -1.25 115.26 114.78 1ovy n ASN 37 Ca 0.10 -0.75 0.00 0.00 -0.44 0.00 0.00 54.58 53.49 1ovy n ASN 37 Cb 0.59 -1.47 0.00 0.00 -2.53 0.00 0.00 39.78 36.37 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1ovy n LYS 38 N 8.66 0.00 -3.63 -3.83 5.02 -1.26 -4.84 118.16 118.28 1ovy n LYS 38 Ca 0.45 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.84 1ovy n LYS 38 Cb 0.43 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 1ovy n LYS 38 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1ovy s HIS 39 N -2.00 -0.05 -0.52 2.13 -3.43 -0.38 -3.50 115.29 107.54 1ovy s HIS 39 Ca 0.00 -0.06 -0.21 0.00 -0.80 0.00 0.00 55.06 53.99 1ovy s HIS 39 Cb 0.00 0.55 0.05 0.00 -1.43 0.00 0.00 32.58 31.75 1ovy s HIS 39 CO 0.00 -0.30 0.75 0.42 -2.00 0.00 0.00 174.74 173.61 1ovy s ILE 40 N -2.48 4.68 -0.06 -5.38 -1.09 -1.26 0.19 121.20 115.80 1ovy s ILE 40 Ca 0.14 -0.13 -0.26 0.00 -2.23 0.00 0.00 60.65 58.17 1ovy s ILE 40 Cb 0.04 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1ovy s ILE 40 CO -0.04 -0.90 0.81 -0.47 -1.23 0.00 0.00 174.94 173.11 1ovy s TYR 41 N 3.16 3.58 -0.12 3.97 6.14 0.21 -4.70 117.35 129.59 1ovy s TYR 41 Ca 0.22 1.39 -0.15 0.00 0.64 0.00 0.00 57.07 59.17 1ovy s TYR 41 Cb -0.16 -2.94 -0.05 0.00 0.42 0.00 0.00 41.96 39.23 1ovy s TYR 41 CO 0.15 -0.00 0.36 0.00 0.64 0.00 0.00 175.55 176.70 1ovy s ALA 42 N 1.10 3.59 -0.29 3.97 0.00 -1.04 -2.52 121.76 126.58 1ovy s ALA 42 Ca 0.42 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1ovy s ALA 42 Cb -0.19 -2.44 0.16 0.00 0.00 0.00 0.00 23.12 20.65 1ovy s ALA 42 CO 0.20 0.15 0.39 -1.14 0.00 0.00 0.00 175.76 175.37 1ovy s GLN 43 N 0.18 0.40 -0.39 0.00 2.00 -0.79 -2.05 119.66 119.02 1ovy s GLN 43 Ca 0.20 0.09 -0.16 0.00 -2.00 0.00 0.00 55.36 53.50 1ovy s GLN 43 Cb -0.14 -0.36 0.01 0.00 0.80 0.00 0.00 33.01 33.32 1ovy s GLN 43 CO 0.07 -1.03 0.37 0.42 -0.50 0.00 0.00 175.29 174.62 1ovy s ILE 44 N 2.52 5.17 -0.13 -2.34 1.01 -1.06 0.12 121.20 126.48 1ovy s ILE 44 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1ovy s ILE 44 Cb -0.13 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1ovy s ILE 44 CO -0.30 -0.27 -0.01 -0.51 0.00 0.00 0.00 174.94 173.85 1ovy s ILE 45 N 1.96 4.21 0.81 2.92 1.10 -1.05 -1.98 121.20 129.17 1ovy s ILE 45 Ca 0.10 -0.26 -0.16 0.00 -0.51 0.00 0.00 60.65 59.81 1ovy s ILE 45 Cb -0.17 -2.82 -0.08 0.00 0.15 0.00 0.00 42.46 39.53 1ovy s ILE 45 CO 0.12 0.54 -0.07 -0.90 -2.11 0.00 0.00 174.94 172.51 1ovy n ASP 46 N 2.91 -3.48 0.00 4.50 5.68 0.29 -1.42 116.55 125.03 1ovy n ASP 46 Ca -0.18 0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 1ovy n ASP 46 Cb 0.53 -0.99 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 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 1.35 0.00 -0.06 -1.12 2.03 -1.26 -0.94 116.55 116.56 1ovy n ASP 47 Ca 0.05 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.33 1ovy n ASP 47 Cb 0.52 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.99 -1.92 5.18 -2.24 -1.26 -4.46 114.28 110.56 1ovy n THR 48 Ca 0.00 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 1ovy n THR 48 Cb 0.00 -0.39 0.04 0.00 -2.10 0.00 0.00 70.33 67.88 1ovy n THR 48 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ovy n LYS 49 N -2.64 3.17 -4.05 -0.78 4.76 -1.26 -4.95 118.16 112.40 1ovy n LYS 49 Ca -0.21 -3.89 -0.35 0.00 -2.87 0.00 0.00 58.31 50.98 1ovy n LYS 49 Cb 0.95 -2.27 -0.02 0.00 -1.84 0.00 0.00 35.03 31.85 1ovy n LYS 49 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ovy n SER 50 N -0.68 -2.08 -3.96 4.39 7.64 -1.26 -4.20 113.62 113.47 1ovy n SER 50 Ca 0.50 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1ovy n SER 50 Cb 0.68 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.63 1ovy n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ovy n ALA 51 N -4.64 0.00 -1.76 -0.43 0.00 -1.26 -4.66 120.51 107.76 1ovy n ALA 51 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 1ovy n ALA 51 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1ovy n ALA 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ovy s THR 52 N 0.00 2.65 -0.24 0.00 2.01 -1.26 -4.14 115.64 114.67 1ovy s THR 52 Ca 0.00 0.53 0.11 0.00 0.31 0.00 0.00 61.69 62.64 1ovy s THR 52 Cb 0.00 -3.29 0.45 0.00 0.01 0.00 0.00 72.50 69.66 1ovy s THR 52 CO 0.00 0.04 1.19 2.30 -0.69 0.00 0.00 174.62 177.46 1ovy n ILE 53 N -0.32 2.12 -3.56 1.82 -5.35 -1.09 0.10 119.36 113.09 1ovy n ILE 53 Ca 0.06 -3.50 -0.02 0.00 -0.27 0.00 0.00 62.75 59.02 1ovy n ILE 53 Cb 0.45 -0.43 0.01 0.00 -1.74 0.00 0.00 39.64 37.93 1ovy n ILE 53 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1ovy n VAL 54 N -0.78 0.00 0.00 7.28 0.24 -0.84 -4.91 118.33 119.32 1ovy n VAL 54 Ca 0.28 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1ovy n VAL 54 Cb 0.86 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.04 0.00 0.00 -1.34 2.88 -1.26 -2.57 113.62 110.30 1ovy n SER 55 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ovy n SER 55 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1ovy n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ovy n ALA 56 N 0.00 0.00 -2.46 -1.46 0.00 -0.87 -4.99 120.51 110.74 1ovy n ALA 56 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1ovy n ALA 56 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ovy n ALA 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ovy s SER 57 N 0.00 1.35 0.59 0.00 1.04 -1.26 -2.50 113.70 112.92 1ovy s SER 57 Ca 0.00 -1.65 0.17 0.00 0.48 0.00 0.00 55.95 54.95 1ovy s SER 57 Cb 0.00 0.58 0.93 0.00 0.10 0.00 0.00 66.02 67.62 1ovy s SER 57 CO 0.00 -1.12 1.49 0.71 0.98 0.00 0.00 173.24 175.30 1ovy h THR 58 N 2.16 0.00 -0.24 2.02 1.35 -1.84 1.24 112.91 117.61 1ovy h THR 58 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1ovy h THR 58 Cb 1.24 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1ovy h THR 58 CO 0.38 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.65 1ovy n LEU 59 N -2.58 1.90 0.00 3.87 -0.00 -1.26 -4.15 117.00 114.78 1ovy n LEU 59 Ca -0.01 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.16 1ovy n LEU 59 Cb 0.57 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1ovy n LEU 59 CO 0.08 0.42 0.00 -0.67 -0.00 0.00 0.00 177.39 177.22 1ovy n ASP 60 N 0.49 -0.38 -0.07 1.45 2.03 0.43 -4.77 116.55 115.72 1ovy n ASP 60 Ca 0.16 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.43 1ovy n ASP 60 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.00 0.00 -0.62 -0.67 6.56 -1.91 -3.28 116.57 116.65 1ovy h LYS 61 Ca 0.00 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.77 1ovy h LYS 61 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1ovy h LYS 61 CO 0.00 0.00 0.79 0.93 -2.06 0.00 0.00 179.45 179.11 1ovy h GLU 62 N -1.00 0.00 0.00 3.15 4.39 -1.96 -2.18 114.58 116.99 1ovy h GLU 62 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ovy h GLU 62 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1ovy h GLU 62 CO 0.00 0.00 -0.10 0.74 -1.16 0.00 0.00 179.01 178.49 1ovy h PHE 63 N 0.00 0.00 -7.06 4.33 0.04 -1.85 -3.47 116.94 108.93 1ovy h PHE 63 Ca 0.30 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.46 1ovy h PHE 63 Cb 1.87 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 39.67 1ovy h PHE 63 CO 0.00 0.00 -0.89 0.41 -0.60 0.00 0.00 178.31 177.23 1ovy n GLY 64 N 1.77 -0.35 0.12 -1.45 0.00 -0.82 -4.37 105.19 100.09 1ovy n GLY 64 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.02 0.00 -0.32 0.99 7.94 -1.26 -4.97 117.00 115.36 1ovy n LEU 65 Ca 0.05 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.14 1ovy n LEU 65 Cb 0.47 0.03 0.36 0.00 0.53 0.00 0.00 43.42 44.81 1ovy n LEU 65 CO 0.92 -0.03 0.82 0.47 -1.11 0.00 0.00 177.39 178.46 1ovy n ASP 66 N -1.31 0.02 -0.12 1.96 8.00 -1.26 -4.78 116.55 119.07 1ovy n ASP 66 Ca 0.00 1.59 -0.01 0.00 0.71 0.00 0.00 54.79 57.08 1ovy n ASP 66 Cb 0.00 -0.64 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 1ovy n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ovy n SER 67 N -5.32 -2.83 -1.37 -2.24 7.64 -1.26 -3.39 113.62 104.85 1ovy n SER 67 Ca 0.26 0.03 -0.03 0.00 1.01 0.00 0.00 58.87 60.14 1ovy n SER 67 Cb 0.87 -0.79 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1ovy n SER 67 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ovy n THR 68 N -3.15 -0.99 -3.89 0.44 -1.04 -1.26 -4.98 114.28 99.41 1ovy n THR 68 Ca -0.01 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1ovy n THR 68 Cb 0.13 -2.74 0.00 0.00 -1.82 0.00 0.00 70.33 65.91 1ovy n THR 68 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ovy s ASN 69 N -3.21 0.23 -0.23 8.00 0.01 -1.22 -2.75 114.94 115.78 1ovy s ASN 69 Ca 0.03 -1.20 -0.01 0.00 -0.71 0.00 0.00 52.86 50.96 1ovy s ASN 69 Cb -0.01 0.79 0.00 0.00 0.41 0.00 0.00 41.25 42.44 1ovy s ASN 69 CO 0.14 -1.56 0.02 -3.20 -1.51 0.00 0.00 177.10 170.99 1ovy n ASN 70 N -1.34 -6.01 -0.16 -1.22 4.05 -1.26 -4.60 115.26 104.73 1ovy n ASN 70 Ca -0.06 1.10 0.28 0.00 0.45 0.00 0.00 54.58 56.35 1ovy n ASN 70 Cb 0.60 -4.32 0.72 0.00 1.23 0.00 0.00 39.78 38.02 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 2.42 0.46 -1.03 -1.44 2.10 -1.93 0.22 117.51 118.31 1ovy h ILE 71 Ca -0.05 0.00 0.27 0.00 1.08 0.00 0.00 64.86 66.16 1ovy h ILE 71 Cb 0.10 0.52 -0.08 0.00 -1.09 0.00 0.00 36.82 36.27 1ovy h ILE 71 CO 0.07 0.00 0.68 -0.08 -1.08 0.00 0.00 178.15 177.74 1ovy h GLU 72 N 0.00 0.33 0.22 2.19 4.22 -1.99 0.58 114.58 120.14 1ovy h GLU 72 Ca 0.41 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.82 1ovy h GLU 72 Cb 1.75 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1ovy h GLU 72 CO -0.00 0.22 -0.11 0.00 -2.18 0.00 0.00 179.01 176.94 1ovy h ALA 73 N 1.59 -0.30 -0.47 2.92 0.00 -0.80 -2.64 119.26 119.57 1ovy h ALA 73 Ca 0.57 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.41 1ovy h ALA 73 Cb 1.55 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1ovy h ALA 73 CO -0.24 -0.37 0.41 0.00 0.00 0.00 0.00 179.25 179.05 1ovy h ALA 74 N -0.44 2.27 -0.43 0.00 0.00 -1.04 0.45 119.26 120.08 1ovy h ALA 74 Ca -0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1ovy h ALA 74 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ovy h ALA 74 CO 0.05 -0.65 -0.18 -0.22 0.00 0.00 0.00 179.25 178.25 1ovy h LYS 75 N 0.00 0.89 -0.39 0.00 3.64 0.18 1.22 116.57 122.11 1ovy h LYS 75 Ca 0.22 -0.38 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1ovy h LYS 75 Cb 1.04 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1ovy h LYS 75 CO -0.00 1.02 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.89 1ovy h LYS 76 N 0.71 0.01 0.00 1.90 3.11 0.28 0.27 116.57 122.85 1ovy h LYS 76 Ca 0.10 -0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.86 1ovy h LYS 76 Cb 0.75 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 1ovy h LYS 76 CO 0.06 0.01 -0.49 -0.39 -2.81 0.00 0.00 179.45 175.82 1ovy h VAL 77 N 0.01 1.00 -0.75 2.00 -1.51 -1.43 -2.62 116.25 112.95 1ovy h VAL 77 Ca 0.19 -1.92 0.22 0.00 -1.23 0.00 0.00 66.70 63.96 1ovy h VAL 77 Cb 0.29 2.06 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1ovy h VAL 77 CO -0.40 0.34 0.58 1.23 -1.23 0.00 0.00 177.57 178.10 1ovy h GLY 78 N -1.00 0.00 0.63 5.19 0.00 0.15 0.50 103.07 108.54 1ovy h GLY 78 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 1ovy h GLY 78 CO -0.07 0.00 -0.96 -2.09 0.00 0.00 0.00 176.54 173.42 1ovy h GLU 79 N 0.00 0.27 0.30 4.80 4.22 -0.58 -1.72 114.58 121.88 1ovy h GLU 79 Ca 0.36 -0.47 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 1ovy h GLU 79 Cb 1.52 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1ovy h GLU 79 CO -0.00 1.22 -0.27 1.25 -2.18 0.00 0.00 179.01 179.03 1ovy h LEU 80 N -0.38 -0.72 -1.87 1.64 5.85 -0.44 0.64 115.31 120.03 1ovy h LEU 80 Ca -0.18 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1ovy h LEU 80 Cb 1.65 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 1ovy h LEU 80 CO 0.12 -0.40 0.14 1.62 -0.34 0.00 0.00 178.44 179.58 1ovy h VAL 81 N -0.59 0.99 0.00 1.05 3.04 -0.27 0.36 116.25 120.83 1ovy h VAL 81 Ca -0.02 -0.06 -0.07 0.00 -1.01 0.00 0.00 66.70 65.55 1ovy h VAL 81 Cb 0.54 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1ovy h VAL 81 CO -0.04 0.03 -0.32 0.00 -1.01 0.00 0.00 177.57 176.24 1ovy h ALA 82 N 1.88 1.11 -0.53 3.17 0.00 -0.05 -0.32 119.26 124.52 1ovy h ALA 82 Ca 0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1ovy h ALA 82 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ovy h ALA 82 CO -0.01 0.39 -0.00 -0.22 0.00 0.00 0.00 179.25 179.41 1ovy h LYS 83 N 0.00 0.93 -0.08 0.00 3.64 0.45 1.01 116.57 122.52 1ovy h LYS 83 Ca -0.00 -0.30 -0.17 0.00 -1.27 0.00 0.00 60.65 58.91 1ovy h LYS 83 Cb 0.75 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1ovy h LYS 83 CO 0.04 0.95 -0.60 0.00 -2.27 0.00 0.00 179.45 177.57 1ovy h ARG 84 N 0.81 0.55 -0.62 1.90 3.08 -1.19 -1.70 114.38 117.21 1ovy h ARG 84 Ca 0.15 -0.48 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 1ovy h ARG 84 Cb 0.53 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1ovy h ARG 84 CO 0.03 1.11 0.07 0.00 -1.07 0.00 0.00 179.97 180.11 1ovy h ALA 85 N 0.45 0.82 0.00 0.04 0.00 -0.94 0.11 119.26 119.75 1ovy h ALA 85 Ca -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ovy h ALA 85 Cb 1.25 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ovy h ALA 85 CO 0.12 0.60 -0.04 1.37 0.00 0.00 0.00 179.25 181.30 1ovy h LEU 86 N 0.95 0.00 0.18 0.00 8.10 0.11 -3.11 115.31 121.54 1ovy h LEU 86 Ca 0.18 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.83 1ovy h LEU 86 Cb 0.46 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1ovy h LEU 86 CO 0.02 0.04 -1.73 -0.33 -4.11 0.00 0.00 178.44 172.33 1ovy h GLU 87 N 0.00 0.39 0.00 0.17 5.08 -0.59 -3.36 114.58 116.27 1ovy h GLU 87 Ca -0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1ovy h GLU 87 Cb 0.63 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1ovy h GLU 87 CO 0.01 1.30 0.00 1.63 -1.00 0.00 0.00 179.01 180.95 1ovy n LYS 88 N -3.58 2.30 -1.97 2.33 4.76 0.33 -4.42 118.16 117.91 1ovy n LYS 88 Ca -0.24 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.17 1ovy n LYS 88 Cb 1.07 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 34.26 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 5.00 -0.18 5.00 0.72 0.00 -1.26 -3.19 105.19 111.27 1ovy n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.20 0.00 -4.70 -0.61 5.41 -1.26 -4.64 119.36 111.36 1ovy n ILE 90 Ca -0.04 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.40 1ovy n ILE 90 Cb 0.38 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.23 1ovy n ILE 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1ovy s LYS 91 N 0.00 2.14 1.17 0.38 1.02 -1.19 -4.90 119.74 118.35 1ovy s LYS 91 Ca 0.00 -2.36 -0.14 0.00 0.02 0.00 0.00 55.97 53.49 1ovy s LYS 91 Cb 0.00 -1.26 0.28 0.00 -0.52 0.00 0.00 37.83 36.33 1ovy s LYS 91 CO 0.00 -0.41 1.03 -0.65 -0.92 0.00 0.00 175.35 174.40 1ovy s GLN 92 N -3.83 -0.94 0.31 1.68 1.11 -0.93 -4.72 119.66 112.34 1ovy s GLN 92 Ca 0.09 0.63 0.09 0.00 0.01 0.00 0.00 55.36 56.18 1ovy s GLN 92 Cb 0.01 -1.57 -0.04 0.00 -1.01 0.00 0.00 33.01 30.40 1ovy s GLN 92 CO 0.06 -3.68 0.10 0.54 0.01 0.00 0.00 175.29 172.32 1ovy s VAL 93 N -2.58 3.30 -0.19 1.09 0.11 -1.26 -2.13 120.40 118.74 1ovy s VAL 93 Ca 0.68 -1.74 -0.09 0.00 -2.93 0.00 0.00 61.98 57.90 1ovy s VAL 93 Cb -0.22 -2.98 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1ovy s VAL 93 CO 0.62 -0.26 0.11 -0.69 -3.33 0.00 0.00 175.10 171.56 1ovy s VAL 94 N -2.37 5.25 0.82 2.04 1.01 -1.26 -4.56 120.40 121.34 1ovy s VAL 94 Ca 0.35 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 1ovy s VAL 94 Cb -0.04 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 33.01 1ovy s VAL 94 CO 0.22 0.47 0.91 2.22 0.00 0.00 0.00 175.10 178.91 1ovy n PHE 95 N 3.35 0.31 -2.39 5.22 -1.74 -1.25 -2.36 117.46 118.60 1ovy n PHE 95 Ca -0.17 0.36 -0.28 0.00 -0.56 0.00 0.00 57.45 56.81 1ovy n PHE 95 Cb 0.52 -2.00 0.01 0.00 1.52 0.00 0.00 39.48 39.53 1ovy n PHE 95 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ovy s ASP 96 N -1.99 6.10 -0.73 5.98 -1.08 0.47 -4.80 116.67 120.61 1ovy s ASP 96 Ca 0.68 1.01 -0.29 0.00 -0.52 0.00 0.00 52.55 53.44 1ovy s ASP 96 Cb -0.28 -2.19 -0.14 0.00 -1.46 0.00 0.00 42.92 38.85 1ovy s ASP 96 CO 0.56 -0.76 2.55 0.54 0.52 0.00 0.00 175.17 178.57 1ovy n ARG 97 N -2.46 0.54 0.00 4.34 5.12 -1.26 -2.87 116.66 120.07 1ovy n ARG 97 Ca 0.03 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1ovy n ARG 97 Cb 0.55 -2.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 1ovy n ARG 97 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ovy n GLY 98 N 6.26 0.21 0.00 -0.13 0.00 -1.26 -4.98 105.19 105.28 1ovy n GLY 98 Ca 0.51 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 -0.81 3.20 -0.02 0.00 -1.14 -4.86 105.19 101.56 1ovy n GLY 99 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.20 -1.69 -0.91 1.61 0.18 -1.26 0.14 117.16 114.02 1ovy n TYR 100 Ca 0.10 0.27 0.00 0.00 1.88 0.00 0.00 57.90 60.15 1ovy n TYR 100 Cb 0.12 -1.70 0.00 0.00 -0.38 0.00 0.00 39.34 37.38 1ovy n TYR 100 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1ovy n LEU 101 N -3.16 0.89 0.00 -3.48 7.94 -1.26 -4.71 117.00 113.22 1ovy n LEU 101 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1ovy n LEU 101 Cb 0.50 -2.08 0.00 0.00 0.53 0.00 0.00 43.42 42.37 1ovy n LEU 101 CO 0.37 -0.80 0.00 -1.22 -1.11 0.00 0.00 177.39 174.63 1ovy n TYR 102 N -2.09 -0.07 -0.99 1.96 4.01 0.37 -4.94 117.16 115.40 1ovy n TYR 102 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ovy n TYR 102 Cb 0.35 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.00 0.00 0.00 -0.72 -0.00 -1.26 -4.86 115.22 108.38 1ovy n HIS 103 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ovy n HIS 103 Cb 0.00 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 29.67 1ovy n HIS 103 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ovy n GLY 104 N -2.42 2.43 0.13 1.57 0.00 -1.26 -5.03 105.19 100.62 1ovy n GLY 104 Ca 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1ovy n GLY 104 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ovy n ARG 105 N 0.00 0.62 0.31 1.61 0.63 -1.26 -4.48 116.66 114.09 1ovy n ARG 105 Ca 0.00 0.33 0.21 0.00 -0.92 0.00 0.00 57.85 57.46 1ovy n ARG 105 Cb 0.00 -1.60 1.06 0.00 0.45 0.00 0.00 32.46 32.37 1ovy n ARG 105 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ovy h VAL 106 N -0.66 0.00 -0.79 5.15 2.07 -1.94 -3.36 116.25 116.72 1ovy h VAL 106 Ca -0.55 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1ovy h VAL 106 Cb 1.65 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 1ovy h VAL 106 CO -0.23 0.00 -0.47 2.29 0.02 0.00 0.00 177.57 179.18 1ovy n LYS 107 N -2.97 -0.35 -0.29 1.57 -0.00 -1.26 -2.40 118.16 112.46 1ovy n LYS 107 Ca -0.02 1.36 -0.12 0.00 -0.00 0.00 0.00 58.31 59.53 1ovy n LYS 107 Cb 0.11 -2.00 -0.10 0.00 -0.00 0.00 0.00 35.03 33.04 1ovy n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ovy h ALA 108 N 0.23 -0.62 0.69 0.58 0.00 -1.92 2.10 119.26 120.32 1ovy h ALA 108 Ca 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ovy h ALA 108 Cb 0.32 1.26 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ovy h ALA 108 CO -0.74 -0.96 -0.36 -0.07 0.00 0.00 0.00 179.25 177.11 1ovy h LEU 109 N -0.15 -0.87 -2.27 0.00 4.07 -1.83 -0.86 115.31 113.41 1ovy h LEU 109 Ca 0.12 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1ovy h LEU 109 Cb 0.46 0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1ovy h LEU 109 CO -0.77 -0.59 0.00 0.00 -1.08 0.00 0.00 178.44 176.01 1ovy h ALA 110 N -1.49 1.00 -0.02 1.53 0.00 -1.25 -1.66 119.26 117.38 1ovy h ALA 110 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ovy h ALA 110 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ovy h ALA 110 CO 0.14 -0.00 -0.23 0.22 0.00 0.00 0.00 179.25 179.38 1ovy h ASP 111 N 0.00 0.23 -0.46 0.00 3.58 0.41 -1.03 116.42 119.14 1ovy h ASP 111 Ca 0.00 -0.73 0.09 0.00 0.42 0.00 0.00 57.03 56.81 1ovy h ASP 111 Cb 0.01 -0.07 -0.10 0.00 1.72 0.00 0.00 39.33 40.89 1ovy h ASP 111 CO 0.00 0.92 -0.35 0.00 -2.88 0.00 0.00 179.24 176.93 1ovy h ALA 112 N 0.31 -0.19 -0.04 -0.78 0.00 -0.18 1.65 119.26 120.04 1ovy h ALA 112 Ca -0.02 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1ovy h ALA 112 Cb 0.94 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1ovy h ALA 112 CO 0.05 -0.74 -0.62 0.00 0.00 0.00 0.00 179.25 177.94 1ovy h ALA 113 N 0.77 0.88 0.03 0.00 0.00 -1.64 -2.91 119.26 116.38 1ovy h ALA 113 Ca 0.18 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ovy h ALA 113 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ovy h ALA 113 CO -0.59 0.75 -0.02 -0.09 0.00 0.00 0.00 179.25 179.30 1ovy h ARG 114 N 0.11 -0.04 -0.98 0.00 1.12 0.29 -2.88 114.38 112.00 1ovy h ARG 114 Ca -0.01 0.00 0.30 0.00 -1.11 0.00 0.00 59.98 59.16 1ovy h ARG 114 Cb 1.12 0.01 -0.15 0.00 -0.01 0.00 0.00 29.97 30.95 1ovy h ARG 114 CO 0.09 -0.03 0.50 1.49 -3.11 0.00 0.00 179.97 178.91 1ovy h GLU 115 N -0.84 0.31 -0.41 0.20 4.57 0.22 0.74 114.58 119.37 1ovy h GLU 115 Ca -0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ovy h GLU 115 Cb 0.03 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1ovy h GLU 115 CO 0.01 0.21 0.25 0.00 -1.18 0.00 0.00 179.01 178.29 1ovy h ALA 116 N 1.83 0.53 0.00 2.92 0.00 -1.61 -3.46 119.26 119.47 1ovy h ALA 116 Ca 0.69 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1ovy h ALA 116 Cb 1.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ovy h ALA 116 CO -0.61 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.08 1ovy n GLY 117 N -1.07 -0.79 3.55 0.00 0.00 0.26 -4.99 105.19 102.15 1ovy n GLY 117 Ca 0.01 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 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 3.26 -0.17 0.99 2.96 -0.98 -2.19 118.68 122.56 1ovy s LEU 118 Ca 0.00 0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1ovy s LEU 118 Cb 0.00 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.22 1ovy s LEU 118 CO 0.00 -2.55 0.10 -1.61 -1.32 0.00 0.00 176.35 170.97 1ovy s GLU 119 N 7.22 0.07 0.00 1.98 0.41 -0.90 -4.87 118.70 122.60 1ovy s GLU 119 Ca 0.72 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.22 1ovy s GLU 119 Cb -0.12 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1ovy s GLU 119 CO 0.17 -0.66 0.00 0.34 -0.49 0.00 0.00 175.26 174.61