#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 -2.56 2.61 5.66 -1.26 -4.91 114.28 113.82 1ovy n THR 25 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1ovy n THR 25 Cb 0.00 0.30 0.02 0.00 -1.55 0.00 0.00 70.33 69.10 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 -0.75 1.09 -1.04 -1.26 -5.02 114.28 107.30 1ovy n THR 26 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1ovy n THR 26 Cb 0.58 0.61 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1ovy n THR 26 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ovy n GLU 27 N -0.36 -0.44 -0.41 -2.82 2.13 -1.26 -4.95 120.64 112.54 1ovy n GLU 27 Ca -0.08 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1ovy n GLU 27 Cb 0.59 -0.47 0.00 0.00 0.27 0.00 0.00 31.44 31.83 1ovy n GLU 27 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ovy n ARG 28 N 0.15 -1.16 -3.27 5.31 1.74 -1.26 -4.87 116.66 113.30 1ovy n ARG 28 Ca 0.00 0.86 -0.34 0.00 -0.77 0.00 0.00 57.85 57.60 1ovy n ARG 28 Cb 0.00 -0.96 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 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 -4.89 3.99 -0.03 5.56 0.04 -1.26 -3.71 135.00 134.71 1ovy s PRO 29 Ca 0.00 0.55 -0.31 0.00 0.04 0.00 0.00 61.00 61.28 1ovy s PRO 29 Cb 0.00 -2.73 0.12 0.00 0.04 0.00 0.00 34.50 31.93 1ovy s PRO 29 CO 0.00 0.34 1.28 1.03 0.04 0.00 0.00 177.00 179.69 1ovy s ARG 30 N -2.43 0.40 -0.92 4.56 0.52 0.18 -3.05 118.95 118.21 1ovy s ARG 30 Ca 0.45 -0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 55.20 1ovy s ARG 30 Cb -0.13 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.49 1ovy s ARG 30 CO 0.20 -0.18 1.61 -1.17 0.02 0.00 0.00 175.30 175.77 1ovy s LEU 31 N -2.92 3.35 -0.23 2.53 0.20 -1.19 -2.89 118.68 117.53 1ovy s LEU 31 Ca 0.14 -0.98 -0.03 0.00 0.69 0.00 0.00 54.13 53.95 1ovy s LEU 31 Cb 0.04 -2.56 0.11 0.00 -0.43 0.00 0.00 46.19 43.35 1ovy s LEU 31 CO -0.04 -1.98 0.26 -0.94 -0.29 0.00 0.00 176.35 173.36 1ovy s SER 32 N 5.97 1.35 -0.10 3.68 1.04 -0.68 -3.18 113.70 121.78 1ovy s SER 32 Ca 0.53 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.37 1ovy s SER 32 Cb -0.04 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.64 1ovy s SER 32 CO -0.02 -0.34 0.66 -0.69 0.98 0.00 0.00 173.24 173.83 1ovy s VAL 33 N 2.36 0.00 -0.39 5.02 1.01 -1.26 -4.38 120.40 122.76 1ovy s VAL 33 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1ovy s VAL 33 Cb -0.15 -0.97 0.17 0.00 0.00 0.00 0.00 36.38 35.42 1ovy s VAL 33 CO -0.18 -0.01 0.50 0.72 0.00 0.00 0.00 175.10 176.13 1ovy s PHE 34 N -0.85 -0.99 0.00 5.22 -0.71 0.25 -2.68 117.98 118.22 1ovy s PHE 34 Ca -0.09 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 1ovy s PHE 34 Cb -0.01 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.74 1ovy s PHE 34 CO 0.08 -1.07 0.00 -2.13 -1.34 0.00 0.00 175.22 170.75 1ovy n ARG 35 N 4.31 0.00 -3.51 1.99 0.00 -0.87 -4.54 116.66 114.04 1ovy n ARG 35 Ca 0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.69 1ovy n ARG 35 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.86 1ovy n ARG 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ovy s SER 36 N 0.00 2.33 0.00 6.15 0.15 0.68 -4.20 113.70 118.81 1ovy s SER 36 Ca 0.00 -3.05 0.00 0.00 0.70 0.00 0.00 55.95 53.60 1ovy s SER 36 Cb 0.00 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1ovy s SER 36 CO 0.00 -0.18 0.00 0.59 1.20 0.00 0.00 173.24 174.85 1ovy n ASN 37 N 2.90 0.00 -0.01 5.45 4.13 -1.26 0.16 115.26 126.63 1ovy n ASN 37 Ca 0.24 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.55 1ovy n ASN 37 Cb 0.43 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.58 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ovy n LYS 38 N 0.00 0.54 -4.12 3.52 5.02 -1.26 -5.03 118.16 116.83 1ovy n LYS 38 Ca 0.00 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 1ovy n LYS 38 Cb 0.00 -1.28 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1ovy n LYS 38 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1ovy s HIS 39 N -2.75 2.66 0.83 2.13 3.76 0.41 -5.02 115.29 117.31 1ovy s HIS 39 Ca -0.04 -0.45 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 1ovy s HIS 39 Cb 0.07 -1.72 0.09 0.00 1.11 0.00 0.00 32.58 32.13 1ovy s HIS 39 CO 0.48 0.30 1.10 0.42 -0.85 0.00 0.00 174.74 176.19 1ovy s ILE 40 N -2.49 2.95 -0.22 0.60 -1.09 -1.26 0.25 121.20 119.94 1ovy s ILE 40 Ca 0.39 0.31 -0.04 0.00 -2.23 0.00 0.00 60.65 59.07 1ovy s ILE 40 Cb -0.00 -2.70 0.12 0.00 -1.58 0.00 0.00 42.46 38.29 1ovy s ILE 40 CO 0.22 -0.41 0.38 -0.47 -1.23 0.00 0.00 174.94 173.43 1ovy s TYR 41 N -2.85 -0.77 -0.14 3.97 6.14 -1.26 -4.07 117.35 118.37 1ovy s TYR 41 Ca 0.63 1.02 -0.04 0.00 0.64 0.00 0.00 57.07 59.32 1ovy s TYR 41 Cb -0.18 0.08 -0.03 0.00 0.42 0.00 0.00 41.96 42.25 1ovy s TYR 41 CO 0.57 -0.62 -0.01 0.00 0.64 0.00 0.00 175.55 176.13 1ovy s ALA 42 N 2.55 3.16 -0.06 3.97 0.00 -1.09 0.84 121.76 131.13 1ovy s ALA 42 Ca 0.08 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1ovy s ALA 42 Cb -0.14 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.40 1ovy s ALA 42 CO -0.14 0.33 -0.12 -1.14 0.00 0.00 0.00 175.76 174.69 1ovy s GLN 43 N -0.05 1.55 -0.49 0.00 0.74 -1.26 -2.93 119.66 117.22 1ovy s GLN 43 Ca 0.03 -0.39 -0.24 0.00 0.05 0.00 0.00 55.36 54.82 1ovy s GLN 43 Cb -0.13 -1.31 0.03 0.00 1.10 0.00 0.00 33.01 32.70 1ovy s GLN 43 CO 0.02 0.04 0.85 0.42 -0.55 0.00 0.00 175.29 176.08 1ovy s ILE 44 N 0.59 4.54 -0.22 -2.34 1.01 -0.84 -1.68 121.20 122.26 1ovy s ILE 44 Ca -0.12 0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.91 1ovy s ILE 44 Cb -0.15 -4.42 0.04 0.00 0.01 0.00 0.00 42.46 37.95 1ovy s ILE 44 CO 0.03 -0.88 -0.14 -0.51 0.00 0.00 0.00 174.94 173.44 1ovy s ILE 45 N 3.56 2.02 0.09 2.92 -1.16 -1.14 -1.83 121.20 125.65 1ovy s ILE 45 Ca 0.30 -1.28 -0.36 0.00 -0.51 0.00 0.00 60.65 58.80 1ovy s ILE 45 Cb -0.12 -2.03 -0.16 0.00 0.61 0.00 0.00 42.46 40.76 1ovy s ILE 45 CO 0.21 0.19 1.45 -0.90 -2.81 0.00 0.00 174.94 173.08 1ovy n ASP 46 N 4.55 2.18 0.00 4.50 5.68 -0.38 0.49 116.55 133.57 1ovy n ASP 46 Ca -0.16 1.10 0.00 0.00 -0.50 0.00 0.00 54.79 55.23 1ovy n ASP 46 Cb 0.46 -1.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 1ovy n ASP 46 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ovy n ASP 47 N 3.02 0.00 -0.26 -1.12 5.75 -1.17 -4.45 116.55 118.32 1ovy n ASP 47 Ca 0.18 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 55.07 1ovy n ASP 47 Cb 0.22 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.35 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 0.00 -0.83 2.12 -2.24 -1.26 -4.17 114.28 107.89 1ovy n THR 48 Ca 0.00 -0.14 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1ovy n THR 48 Cb 0.00 0.96 0.36 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.71 4.18 -1.54 -0.78 5.02 -1.26 -5.06 118.16 118.01 1ovy n LYS 49 Ca 0.08 -3.01 0.02 0.00 -2.02 0.00 0.00 58.31 53.38 1ovy n LYS 49 Cb 0.40 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.33 1ovy n LYS 49 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ovy n SER 50 N 0.53 -7.85 0.00 4.39 7.64 -1.26 -4.82 113.62 112.25 1ovy n SER 50 Ca 0.26 1.72 0.00 0.00 1.01 0.00 0.00 58.87 61.85 1ovy n SER 50 Cb 1.04 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 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 -2.78 0.00 -2.05 -0.43 0.00 -1.26 -3.92 120.51 110.07 1ovy n ALA 51 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1ovy n ALA 51 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.72 4.67 -0.28 0.00 -4.23 -1.26 -4.62 115.64 106.19 1ovy s THR 52 Ca 0.00 0.90 0.14 0.00 -1.18 0.00 0.00 61.69 61.56 1ovy s THR 52 Cb 0.00 -3.70 0.48 0.00 1.34 0.00 0.00 72.50 70.62 1ovy s THR 52 CO 0.00 -0.52 1.14 -0.38 -0.54 0.00 0.00 174.62 174.32 1ovy n ILE 53 N -1.23 1.93 -4.00 2.99 5.41 -0.90 -1.25 119.36 122.32 1ovy n ILE 53 Ca 0.04 -3.65 -0.13 0.00 1.00 0.00 0.00 62.75 60.00 1ovy n ILE 53 Cb 0.54 -0.04 -0.01 0.00 -0.71 0.00 0.00 39.64 39.42 1ovy n ILE 53 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1ovy s VAL 54 N -4.25 0.00 0.00 1.39 -7.23 -0.76 -4.88 120.40 104.67 1ovy s VAL 54 Ca 0.40 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1ovy s VAL 54 Cb 0.37 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1ovy s VAL 54 CO -0.00 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.55 1ovy n SER 55 N -1.57 0.16 -3.80 4.85 2.88 -1.26 -2.00 113.62 112.89 1ovy n SER 55 Ca -0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.39 1ovy n SER 55 Cb 0.61 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.61 0.00 -1.46 0.00 -1.15 -4.69 121.76 112.86 1ovy s ALA 56 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1ovy s ALA 56 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1ovy s ALA 56 CO 0.00 -0.17 0.00 -1.13 0.00 0.00 0.00 175.76 174.46 1ovy n SER 57 N 2.31 0.00 0.28 0.00 3.41 -1.26 -3.02 113.62 115.33 1ovy n SER 57 Ca -0.16 -0.81 0.13 0.00 -0.26 0.00 0.00 58.87 57.77 1ovy n SER 57 Cb 0.57 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.32 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 0.81 0.59 -0.60 6.66 1.03 -1.89 -0.26 112.91 119.25 1ovy h THR 58 Ca 0.00 -0.30 0.07 0.00 -0.01 0.00 0.00 66.41 66.16 1ovy h THR 58 Cb 0.00 1.19 -0.06 0.00 -1.07 0.00 0.00 68.15 68.21 1ovy h THR 58 CO 0.00 0.07 0.29 -0.07 -0.01 0.00 0.00 175.52 175.80 1ovy h LEU 59 N 0.00 0.40 -0.09 0.00 -0.00 -1.93 -3.43 115.31 110.25 1ovy h LEU 59 Ca -0.00 0.04 0.06 0.00 -0.00 0.00 0.00 57.88 57.98 1ovy h LEU 59 Cb 0.18 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.79 1ovy h LEU 59 CO 0.01 0.25 -0.20 -0.90 -0.00 0.00 0.00 178.44 177.61 1ovy n ASP 60 N -4.88 -1.25 -0.04 -0.43 5.68 -0.11 -4.74 116.55 110.78 1ovy n ASP 60 Ca 0.07 0.23 -0.03 0.00 -0.50 0.00 0.00 54.79 54.55 1ovy n ASP 60 Cb 0.20 -2.05 -0.01 0.00 -1.14 0.00 0.00 41.12 38.11 1ovy n ASP 60 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1ovy n LYS 61 N -3.13 0.28 -0.02 0.11 0.00 -1.26 -4.74 118.16 109.40 1ovy n LYS 61 Ca -0.01 0.34 -0.18 0.00 0.00 0.00 0.00 58.31 58.45 1ovy n LYS 61 Cb 0.15 -1.24 -0.14 0.00 0.00 0.00 0.00 35.03 33.80 1ovy n LYS 61 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ovy n GLU 62 N -3.66 0.72 -0.44 1.64 4.07 -1.26 -4.40 120.64 117.31 1ovy n GLU 62 Ca -0.05 0.25 0.40 0.00 -0.06 0.00 0.00 57.16 57.70 1ovy n GLU 62 Cb 0.20 -1.70 0.69 0.00 -0.06 0.00 0.00 31.44 30.57 1ovy n GLU 62 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 1ovy h PHE 63 N 0.05 0.00 0.00 4.31 0.04 -1.91 -3.45 116.94 115.98 1ovy h PHE 63 Ca -0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1ovy h PHE 63 Cb 2.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.17 1ovy h PHE 63 CO 0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 1ovy n GLY 64 N -1.81 2.75 0.00 -1.45 0.00 -1.26 -4.14 105.19 99.27 1ovy n GLY 64 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ovy n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ovy n LEU 65 N 0.00 0.00 -4.55 0.99 4.32 -1.26 -4.34 117.00 112.16 1ovy n LEU 65 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.65 1ovy n LEU 65 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1ovy n LEU 65 CO 0.00 0.00 1.97 0.47 -1.22 0.00 0.00 177.39 178.61 1ovy n ASP 66 N 0.00 2.04 0.00 -1.43 9.92 -1.26 -4.74 116.55 121.08 1ovy n ASP 66 Ca 0.00 -0.56 0.00 0.00 -0.53 0.00 0.00 54.79 53.70 1ovy n ASP 66 Cb 0.00 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 38.95 1ovy n ASP 66 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ovy n SER 67 N 15.68 0.00 0.00 -2.24 7.64 -1.26 -4.94 113.62 128.50 1ovy n SER 67 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1ovy n SER 67 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 0.00 -4.27 0.44 -1.04 -1.26 -4.54 114.28 103.60 1ovy n THR 68 Ca 0.00 1.47 -0.36 0.00 -2.04 0.00 0.00 64.05 63.12 1ovy n THR 68 Cb 0.00 -2.05 -0.04 0.00 -1.82 0.00 0.00 70.33 66.42 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 -2.75 -2.21 0.00 8.00 5.03 -1.26 -3.51 115.26 118.56 1ovy n ASN 69 Ca 0.00 -1.09 0.00 0.00 0.87 0.00 0.00 54.58 54.36 1ovy n ASN 69 Cb 0.00 -2.43 0.00 0.00 -1.02 0.00 0.00 39.78 36.33 1ovy n ASN 69 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ovy n ASN 70 N -2.67 0.00 0.29 6.41 6.94 -1.26 -4.79 115.26 120.18 1ovy n ASN 70 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.58 1ovy n ASN 70 Cb 0.52 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.05 1ovy n ASN 70 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 1ovy h ILE 71 N 0.00 0.00 -0.73 1.53 -2.65 -1.80 -2.79 117.51 111.07 1ovy h ILE 71 Ca 0.00 0.00 0.12 0.00 1.03 0.00 0.00 64.86 66.01 1ovy h ILE 71 Cb 0.00 0.08 -0.13 0.00 -2.05 0.00 0.00 36.82 34.73 1ovy h ILE 71 CO 0.00 0.00 -0.37 -0.33 0.03 0.00 0.00 178.15 177.48 1ovy h GLU 72 N 0.00 -0.11 -0.08 0.16 5.08 -1.87 1.69 114.58 119.45 1ovy h GLU 72 Ca 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ovy h GLU 72 Cb 1.70 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 1ovy h GLU 72 CO 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 179.01 177.90 1ovy h ALA 73 N 1.06 0.12 -0.43 3.43 0.00 -1.53 -2.56 119.26 119.34 1ovy h ALA 73 Ca 0.26 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1ovy h ALA 73 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ovy h ALA 73 CO -0.78 -0.13 0.38 0.00 0.00 0.00 0.00 179.25 178.72 1ovy h ALA 74 N 0.63 2.23 -0.01 0.00 0.00 -1.30 0.72 119.26 121.53 1ovy h ALA 74 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1ovy h ALA 74 Cb 0.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ovy h ALA 74 CO 0.01 -0.60 -0.76 -0.22 0.00 0.00 0.00 179.25 177.68 1ovy h LYS 75 N 0.00 0.08 0.24 0.00 3.64 0.28 1.46 116.57 122.26 1ovy h LYS 75 Ca 0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1ovy h LYS 75 Cb 0.96 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1ovy h LYS 75 CO -0.00 0.80 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.32 1ovy h LYS 76 N 0.05 -0.69 0.05 1.90 3.64 0.84 0.33 116.57 122.68 1ovy h LYS 76 Ca -0.02 0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.13 1ovy h LYS 76 Cb 1.34 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 1ovy h LYS 76 CO 0.11 -0.46 -1.46 0.28 -2.27 0.00 0.00 179.45 175.64 1ovy h VAL 77 N -0.72 1.19 -0.83 2.00 2.07 -1.60 -2.90 116.25 115.45 1ovy h VAL 77 Ca -0.03 -2.92 0.17 0.00 0.82 0.00 0.00 66.70 64.75 1ovy h VAL 77 Cb 0.68 2.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 1ovy h VAL 77 CO -0.16 0.76 0.55 1.23 0.02 0.00 0.00 177.57 179.97 1ovy h GLY 78 N 2.61 0.80 0.96 2.17 0.00 0.21 0.53 103.07 110.35 1ovy h GLY 78 Ca -0.20 -0.19 -0.27 0.00 0.00 0.00 0.00 47.33 46.68 1ovy h GLY 78 CO 0.12 0.03 -1.17 -2.09 0.00 0.00 0.00 176.54 173.44 1ovy h GLU 79 N 0.43 0.42 -0.60 4.80 4.81 -0.40 -2.86 114.58 121.17 1ovy h GLU 79 Ca 0.42 -0.72 0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1ovy h GLU 79 Cb 0.98 0.27 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 1ovy h GLU 79 CO -0.15 1.34 0.28 1.25 -0.73 0.00 0.00 179.01 181.01 1ovy h LEU 80 N -0.11 0.36 -1.36 1.64 5.85 -0.73 0.16 115.31 121.12 1ovy h LEU 80 Ca -0.21 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1ovy h LEU 80 Cb 1.91 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.92 1ovy h LEU 80 CO 0.21 0.23 0.10 1.62 -0.34 0.00 0.00 178.44 180.26 1ovy h VAL 81 N 0.51 1.17 -0.81 1.05 3.04 -0.14 -1.69 116.25 119.38 1ovy h VAL 81 Ca 0.29 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1ovy h VAL 81 Cb 0.27 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 30.30 1ovy h VAL 81 CO -0.24 0.21 0.49 0.00 -1.01 0.00 0.00 177.57 177.02 1ovy h ALA 82 N 1.59 1.33 0.66 3.17 0.00 -0.49 0.60 119.26 126.12 1ovy h ALA 82 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ovy h ALA 82 Cb 0.19 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ovy h ALA 82 CO -0.01 0.58 -0.32 -0.22 0.00 0.00 0.00 179.25 179.28 1ovy h LYS 83 N 1.12 -0.86 0.00 0.00 3.64 -0.30 0.31 116.57 120.48 1ovy h LYS 83 Ca 0.29 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1ovy h LYS 83 Cb -0.04 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ovy h LYS 83 CO -0.05 -0.56 -0.19 0.07 -2.27 0.00 0.00 179.45 176.45 1ovy h ARG 84 N -0.94 0.00 0.64 1.90 0.11 -1.30 -2.30 114.38 112.49 1ovy h ARG 84 Ca -0.09 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 1ovy h ARG 84 Cb 0.70 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.79 1ovy h ARG 84 CO 0.15 0.19 -0.31 0.00 0.10 0.00 0.00 179.97 180.10 1ovy h ALA 85 N 1.81 -0.86 0.00 0.08 0.00 0.71 -1.61 119.26 119.38 1ovy h ALA 85 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ovy h ALA 85 Cb 0.35 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ovy h ALA 85 CO 0.02 -0.87 0.00 1.37 0.00 0.00 0.00 179.25 179.78 1ovy h LEU 86 N -1.08 0.00 0.05 0.00 8.10 -0.23 0.41 115.31 122.55 1ovy h LEU 86 Ca -0.09 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.65 1ovy h LEU 86 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 1ovy h LEU 86 CO 0.14 0.00 -1.29 -0.33 -4.11 0.00 0.00 178.44 172.86 1ovy h GLU 87 N 0.00 0.10 0.12 0.17 4.39 -1.16 -1.76 114.58 116.44 1ovy h GLU 87 Ca 0.00 -0.17 -0.35 0.00 0.34 0.00 0.00 59.36 59.18 1ovy h GLU 87 Cb 0.04 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1ovy h GLU 87 CO 0.00 0.97 -1.92 1.63 -1.16 0.00 0.00 179.01 178.53 1ovy n LYS 88 N -3.35 0.74 0.00 2.33 4.01 -0.55 -4.02 118.16 117.32 1ovy n LYS 88 Ca -0.08 0.30 0.10 0.00 -0.51 0.00 0.00 58.31 58.11 1ovy n LYS 88 Cb 1.00 -1.72 0.47 0.00 -0.51 0.00 0.00 35.03 34.27 1ovy n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ovy n GLY 89 N 1.93 -1.08 1.39 0.72 0.00 0.13 -4.54 105.19 103.75 1ovy n GLY 89 Ca -0.32 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.40 0.00 -3.90 -0.61 5.41 -1.09 -4.91 119.36 112.86 1ovy n ILE 90 Ca 0.07 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.73 1ovy n ILE 90 Cb 0.20 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.12 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 1.94 1.25 0.38 1.02 -0.68 -4.82 119.74 118.83 1ovy s LYS 91 Ca 0.00 -1.32 -0.15 0.00 0.02 0.00 0.00 55.97 54.52 1ovy s LYS 91 Cb 0.00 0.57 0.32 0.00 -0.52 0.00 0.00 37.83 38.20 1ovy s LYS 91 CO 0.00 -0.88 0.99 -0.65 -0.92 0.00 0.00 175.35 173.90 1ovy s GLN 92 N -3.18 -1.57 0.18 1.68 1.11 -1.25 -4.02 119.66 112.61 1ovy s GLN 92 Ca 0.18 0.67 0.09 0.00 0.01 0.00 0.00 55.36 56.30 1ovy s GLN 92 Cb -0.04 -1.49 -0.04 0.00 -1.01 0.00 0.00 33.01 30.43 1ovy s GLN 92 CO 0.11 -4.12 -0.07 0.08 0.01 0.00 0.00 175.29 171.31 1ovy s VAL 93 N -2.38 3.32 -0.11 1.09 1.01 -1.26 -3.52 120.40 118.55 1ovy s VAL 93 Ca 0.69 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1ovy s VAL 93 Cb -0.23 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1ovy s VAL 93 CO 0.64 -0.12 0.06 -0.69 0.00 0.00 0.00 175.10 174.98 1ovy s VAL 94 N -1.75 4.78 -0.42 2.92 1.01 -1.24 -4.49 120.40 121.21 1ovy s VAL 94 Ca 0.26 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1ovy s VAL 94 Cb -0.09 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1ovy s VAL 94 CO 0.16 0.59 1.45 -0.36 0.00 0.00 0.00 175.10 176.94 1ovy s PHE 95 N -0.74 2.33 0.00 5.22 0.40 -1.19 -3.14 117.98 120.86 1ovy s PHE 95 Ca 0.12 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 1ovy s PHE 95 Cb -0.12 -4.31 0.00 0.00 0.51 0.00 0.00 43.02 39.11 1ovy s PHE 95 CO 0.03 -2.06 0.00 -3.47 0.70 0.00 0.00 175.22 170.41 1ovy n ASP 96 N 9.06 0.00 -0.09 1.36 2.03 -1.26 -4.43 116.55 123.23 1ovy n ASP 96 Ca 0.17 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.29 1ovy n ASP 96 Cb 0.48 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 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 0.00 0.38 0.00 -0.67 3.00 -1.26 -4.83 116.66 113.28 1ovy n ARG 97 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1ovy n ARG 97 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.32 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 1.92 -2.70 2.09 5.14 0.00 -1.26 -4.62 105.19 105.75 1ovy n GLY 98 Ca -0.35 0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 -2.60 0.00 -0.02 0.00 -1.26 -4.87 105.19 95.79 1ovy n GLY 99 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.88 0.00 1.17 1.61 0.18 -1.26 -4.60 117.16 110.38 1ovy n TYR 100 Ca 0.09 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.01 1ovy n TYR 100 Cb 0.35 0.00 0.66 0.00 -0.38 0.00 0.00 39.34 39.97 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 0.00 0.00 0.00 -3.48 -0.00 -1.26 -4.93 117.00 107.33 1ovy n LEU 101 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 1ovy n LEU 101 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 1ovy n LEU 101 CO 0.00 -0.02 0.00 -1.22 -0.00 0.00 0.00 177.39 176.15 1ovy n TYR 102 N -1.38 -0.94 -2.44 1.96 4.01 -1.26 -4.99 117.16 112.12 1ovy n TYR 102 Ca 0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.81 1ovy n TYR 102 Cb 0.26 0.19 0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.60 0.00 -0.72 -0.00 -1.26 -4.91 115.22 106.73 1ovy n HIS 103 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 1ovy n HIS 103 Cb 0.00 -3.18 0.00 0.00 -0.00 0.00 0.00 29.99 26.81 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 -1.40 -0.41 0.01 1.57 0.00 -1.26 -5.00 105.19 98.69 1ovy n GLY 104 Ca -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1ovy n GLY 104 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ovy n ARG 105 N 0.00 0.08 0.24 1.61 1.85 -1.26 -4.54 116.66 114.63 1ovy n ARG 105 Ca 0.00 0.19 0.11 0.00 -1.00 0.00 0.00 57.85 57.15 1ovy n ARG 105 Cb 0.00 -0.80 0.56 0.00 -1.05 0.00 0.00 32.46 31.17 1ovy n ARG 105 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 1ovy h VAL 106 N -0.16 0.58 -0.95 8.89 3.04 -1.98 -3.21 116.25 122.47 1ovy h VAL 106 Ca 0.00 -0.92 0.16 0.00 -1.01 0.00 0.00 66.70 64.93 1ovy h VAL 106 Cb 0.11 1.61 -0.16 0.00 -2.01 0.00 0.00 31.29 30.84 1ovy h VAL 106 CO 0.00 0.19 -0.35 0.11 -1.01 0.00 0.00 177.57 176.51 1ovy h LYS 107 N 0.00 -0.02 -0.83 4.17 1.79 -1.91 -0.30 116.57 119.47 1ovy h LYS 107 Ca -0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1ovy h LYS 107 Cb 0.59 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.09 1ovy h LYS 107 CO 0.03 -0.01 -0.17 0.00 -1.08 0.00 0.00 179.45 178.21 1ovy h ALA 108 N 1.45 0.60 -0.12 3.86 0.00 -1.79 1.81 119.26 125.07 1ovy h ALA 108 Ca 0.36 0.32 0.03 0.00 0.00 0.00 0.00 54.91 55.61 1ovy h ALA 108 Cb 0.61 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1ovy h ALA 108 CO -0.96 -0.41 -0.07 -0.07 0.00 0.00 0.00 179.25 177.75 1ovy h LEU 109 N 0.01 -0.22 -1.61 0.00 -0.00 -1.29 0.55 115.31 112.75 1ovy h LEU 109 Ca 0.41 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 58.32 1ovy h LEU 109 Cb 0.65 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1ovy h LEU 109 CO -0.84 -0.09 -0.08 0.00 -0.00 0.00 0.00 178.44 177.43 1ovy h ALA 110 N 1.05 1.05 -0.30 1.53 0.00 -0.41 -1.84 119.26 120.34 1ovy h ALA 110 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ovy h ALA 110 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ovy h ALA 110 CO -0.16 0.10 -0.20 0.22 0.00 0.00 0.00 179.25 179.21 1ovy h ASP 111 N 0.00 0.55 0.62 0.00 1.82 0.47 1.53 116.42 121.41 1ovy h ASP 111 Ca -0.00 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.43 1ovy h ASP 111 Cb 0.49 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1ovy h ASP 111 CO 0.01 0.76 -0.30 0.00 -1.61 0.00 0.00 179.24 178.11 1ovy h ALA 112 N 1.29 -0.83 0.00 -0.78 0.00 -0.28 1.04 119.26 119.70 1ovy h ALA 112 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ovy h ALA 112 Cb 0.63 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ovy h ALA 112 CO 0.04 -0.94 -0.28 0.00 0.00 0.00 0.00 179.25 178.08 1ovy h ALA 113 N -0.54 0.99 0.34 0.00 0.00 -1.48 -2.10 119.26 116.47 1ovy h ALA 113 Ca -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1ovy h ALA 113 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ovy h ALA 113 CO 0.14 0.35 -0.16 -0.09 0.00 0.00 0.00 179.25 179.48 1ovy h ARG 114 N 0.00 -0.44 -0.95 0.00 9.65 0.26 0.21 114.38 123.10 1ovy h ARG 114 Ca -0.00 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1ovy h ARG 114 Cb 0.84 0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.45 1ovy h ARG 114 CO 0.04 -0.30 0.61 1.49 2.80 0.00 0.00 179.97 184.61 1ovy h GLU 115 N -0.93 1.02 -0.27 0.20 4.81 0.11 0.12 114.58 119.64 1ovy h GLU 115 Ca -0.05 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1ovy h GLU 115 Cb 0.35 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ovy h GLU 115 CO 0.08 0.68 0.07 0.00 -0.73 0.00 0.00 179.01 179.10 1ovy h ALA 116 N 1.50 1.63 0.00 2.92 0.00 -1.46 -3.45 119.26 120.39 1ovy h ALA 116 Ca 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ovy h ALA 116 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ovy h ALA 116 CO -0.17 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1ovy n GLY 117 N -1.20 0.36 3.58 0.00 0.00 0.37 -5.06 105.19 103.25 1ovy n GLY 117 Ca 0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 3.45 -0.16 0.99 0.20 0.67 -3.97 118.68 119.87 1ovy s LEU 118 Ca 0.00 0.83 -0.04 0.00 0.69 0.00 0.00 54.13 55.62 1ovy s LEU 118 Cb 0.00 -3.21 0.05 0.00 -0.43 0.00 0.00 46.19 42.60 1ovy s LEU 118 CO 0.00 -1.82 0.06 -1.61 -0.29 0.00 0.00 176.35 172.68 1ovy s GLU 119 N 5.85 0.33 0.00 1.98 0.41 -1.23 -4.88 118.70 121.16 1ovy s GLU 119 Ca 0.69 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 1ovy s GLU 119 Cb -0.17 -1.72 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 1ovy s GLU 119 CO 0.29 -0.59 0.00 0.34 -0.49 0.00 0.00 175.26 174.81