#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 -1.04 -1.26 -4.56 114.28 110.02 1ovy n THR 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ovy n THR 25 Cb 0.00 1.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.99 1ovy n THR 25 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ovy n THR 26 N 0.00 0.00 0.00 12.58 -1.04 -1.26 -5.02 114.28 119.54 1ovy n THR 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ovy n THR 26 Cb 0.36 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 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 -1.64 0.00 -2.90 -2.82 4.07 -1.26 -4.80 120.64 111.28 1ovy n GLU 27 Ca 0.00 0.25 -0.13 0.00 -0.06 0.00 0.00 57.16 57.21 1ovy n GLU 27 Cb 0.00 -1.09 0.01 0.00 -0.06 0.00 0.00 31.44 30.30 1ovy n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1ovy n ARG 28 N -1.24 0.75 -1.56 5.31 3.00 -1.26 -4.95 116.66 116.72 1ovy n ARG 28 Ca 0.00 -2.25 -0.49 0.00 -0.00 0.00 0.00 57.85 55.11 1ovy n ARG 28 Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.02 1ovy n ARG 28 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1ovy n PRO 29 N 1.58 1.54 -3.58 -0.14 -0.02 -1.26 -4.25 135.00 128.88 1ovy n PRO 29 Ca 0.13 0.48 0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1ovy n PRO 29 Cb 0.59 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ovy n PRO 29 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ovy s ARG 30 N 5.48 0.12 0.04 -0.52 1.70 0.13 -3.83 118.95 122.07 1ovy s ARG 30 Ca 1.03 -0.06 -0.30 0.00 -0.47 0.00 0.00 55.73 55.92 1ovy s ARG 30 Cb -0.73 0.04 -0.08 0.00 -0.57 0.00 0.00 34.95 33.61 1ovy s ARG 30 CO 0.48 -0.06 1.73 -1.17 -1.08 0.00 0.00 175.30 175.21 1ovy s LEU 31 N -2.89 4.37 -0.35 -1.89 2.96 0.24 -2.56 118.68 118.56 1ovy s LEU 31 Ca 0.14 2.49 -0.13 0.00 -0.22 0.00 0.00 54.13 56.41 1ovy s LEU 31 Cb 0.06 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 1ovy s LEU 31 CO -0.06 -0.94 0.24 -0.44 -1.32 0.00 0.00 176.35 173.83 1ovy s SER 32 N 3.08 6.01 -0.34 3.68 0.01 0.31 0.18 113.70 126.63 1ovy s SER 32 Ca 0.77 -0.51 -0.01 0.00 1.31 0.00 0.00 55.95 57.52 1ovy s SER 32 Cb -0.39 -2.13 0.08 0.00 0.21 0.00 0.00 66.02 63.79 1ovy s SER 32 CO 0.34 -0.26 0.07 0.68 0.41 0.00 0.00 173.24 174.47 1ovy s VAL 33 N 1.70 2.92 0.07 3.43 -7.23 -1.26 -1.70 120.40 118.34 1ovy s VAL 33 Ca 0.06 -1.76 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1ovy s VAL 33 Cb -0.18 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1ovy s VAL 33 CO 0.10 -0.36 -0.06 0.72 -0.31 0.00 0.00 175.10 175.19 1ovy s PHE 34 N 1.15 0.72 -0.35 2.82 -0.71 -1.00 -3.32 117.98 117.29 1ovy s PHE 34 Ca 0.01 -0.88 -0.12 0.00 -1.04 0.00 0.00 56.93 54.91 1ovy s PHE 34 Cb -0.21 -0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.16 1ovy s PHE 34 CO -0.03 -0.21 0.21 -0.98 -1.34 0.00 0.00 175.22 172.87 1ovy s ARG 35 N -3.40 3.21 -1.11 1.99 1.70 -1.26 0.12 118.95 120.18 1ovy s ARG 35 Ca 0.06 -0.83 -0.22 0.00 -0.47 0.00 0.00 55.73 54.27 1ovy s ARG 35 Cb 0.03 -3.73 -0.01 0.00 -0.57 0.00 0.00 34.95 30.67 1ovy s ARG 35 CO -0.05 -0.54 1.80 -1.12 -1.08 0.00 0.00 175.30 174.30 1ovy s SER 36 N 1.64 5.79 0.00 -2.89 0.01 0.49 -4.77 113.70 113.97 1ovy s SER 36 Ca 0.04 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.72 1ovy s SER 36 Cb -0.18 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1ovy s SER 36 CO 0.08 -2.23 0.00 0.59 0.41 0.00 0.00 173.24 172.09 1ovy n ASN 37 N 11.76 0.00 -0.00 2.44 4.13 -1.26 0.49 115.26 132.81 1ovy n ASN 37 Ca 0.42 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.75 1ovy n ASN 37 Cb 0.47 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.63 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 1.47 -4.05 3.52 4.76 -1.26 -4.94 118.16 117.66 1ovy n LYS 38 Ca 0.00 -0.07 -0.35 0.00 -2.87 0.00 0.00 58.31 55.02 1ovy n LYS 38 Cb 0.00 -1.21 -0.13 0.00 -1.84 0.00 0.00 35.03 31.85 1ovy n LYS 38 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1ovy s HIS 39 N -2.58 3.01 -0.18 2.13 3.76 0.18 -4.50 115.29 117.11 1ovy s HIS 39 Ca -0.01 -0.59 -0.29 0.00 -0.15 0.00 0.00 55.06 54.03 1ovy s HIS 39 Cb 0.09 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 1ovy s HIS 39 CO 0.52 -0.32 1.52 -1.50 -0.85 0.00 0.00 174.74 174.11 1ovy s ILE 40 N 1.12 3.83 -0.14 0.60 1.10 -1.26 0.19 121.20 126.64 1ovy s ILE 40 Ca 0.02 0.97 -0.18 0.00 -0.51 0.00 0.00 60.65 60.94 1ovy s ILE 40 Cb -0.14 -3.76 -0.04 0.00 0.15 0.00 0.00 42.46 38.67 1ovy s ILE 40 CO 0.01 -0.24 0.50 -0.47 -2.11 0.00 0.00 174.94 172.63 1ovy s TYR 41 N 4.54 3.47 -0.09 3.50 6.14 0.12 -4.58 117.35 130.45 1ovy s TYR 41 Ca 0.67 0.87 -0.03 0.00 0.64 0.00 0.00 57.07 59.22 1ovy s TYR 41 Cb -0.25 -2.60 -0.03 0.00 0.42 0.00 0.00 41.96 39.49 1ovy s TYR 41 CO 0.26 0.08 0.03 0.00 0.64 0.00 0.00 175.55 176.55 1ovy s ALA 42 N 0.96 3.39 -0.29 3.97 0.00 -1.04 -2.38 121.76 126.37 1ovy s ALA 42 Ca 0.26 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1ovy s ALA 42 Cb -0.15 -1.58 0.20 0.00 0.00 0.00 0.00 23.12 21.59 1ovy s ALA 42 CO 0.10 0.58 0.71 -1.14 0.00 0.00 0.00 175.76 176.01 1ovy s GLN 43 N -0.87 0.45 -0.59 0.00 0.74 -0.69 -2.11 119.66 116.59 1ovy s GLN 43 Ca 0.13 0.47 -0.22 0.00 0.05 0.00 0.00 55.36 55.79 1ovy s GLN 43 Cb -0.11 0.22 0.07 0.00 1.10 0.00 0.00 33.01 34.28 1ovy s GLN 43 CO 0.03 -0.83 0.85 0.42 -0.55 0.00 0.00 175.29 175.20 1ovy s ILE 44 N 2.86 4.53 -0.13 -2.34 1.01 -0.99 0.11 121.20 126.26 1ovy s ILE 44 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1ovy s ILE 44 Cb -0.08 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 1ovy s ILE 44 CO -0.25 -1.18 0.04 -0.51 0.00 0.00 0.00 174.94 173.04 1ovy s ILE 45 N 3.51 4.64 0.89 2.92 1.10 -1.06 -1.57 121.20 131.63 1ovy s ILE 45 Ca 0.21 -0.11 -0.16 0.00 -0.51 0.00 0.00 60.65 60.09 1ovy s ILE 45 Cb -0.18 -3.02 -0.08 0.00 0.15 0.00 0.00 42.46 39.33 1ovy s ILE 45 CO 0.12 0.55 -0.19 -0.90 -2.11 0.00 0.00 174.94 172.41 1ovy n ASP 46 N 2.73 -3.94 0.00 4.50 5.75 -0.87 -1.31 116.55 123.40 1ovy n ASP 46 Ca -0.18 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1ovy n ASP 46 Cb 0.53 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1ovy n ASP 46 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ovy n ASP 47 N 1.48 0.00 -0.11 -1.12 -0.08 -1.25 0.18 116.55 115.65 1ovy n ASP 47 Ca 0.03 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.13 1ovy n ASP 47 Cb 0.53 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.93 1ovy n ASP 47 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ovy n THR 48 N -1.85 1.51 -2.02 5.18 -2.24 -1.26 -4.68 114.28 108.91 1ovy n THR 48 Ca 0.00 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 1ovy n THR 48 Cb 0.00 -2.13 0.03 0.00 -2.10 0.00 0.00 70.33 66.14 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 -4.39 2.92 -2.40 -0.78 3.00 -1.26 -4.90 118.16 110.36 1ovy n LYS 49 Ca -0.32 -3.75 -0.05 0.00 -0.00 0.00 0.00 58.31 54.19 1ovy n LYS 49 Cb 0.66 -2.27 -0.00 0.00 0.00 0.00 0.00 35.03 33.42 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 -0.55 -2.10 -3.62 3.14 2.88 -1.26 -4.32 113.62 107.79 1ovy n SER 50 Ca 0.51 0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 57.99 1ovy n SER 50 Cb 0.37 -1.90 -0.04 0.00 -0.75 0.00 0.00 64.21 61.89 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 -2.28 3.93 -3.58 -1.46 0.00 -1.26 -4.72 120.51 111.15 1ovy n ALA 51 Ca -0.06 -3.38 -0.40 0.00 0.00 0.00 0.00 53.44 49.60 1ovy n ALA 51 Cb 0.52 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 16.32 1ovy n ALA 51 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ovy s THR 52 N 4.49 4.36 -0.35 0.00 -1.32 -1.26 -2.06 115.64 119.49 1ovy s THR 52 Ca 0.54 -2.69 0.13 0.00 -1.21 0.00 0.00 61.69 58.46 1ovy s THR 52 Cb 0.14 -3.79 0.34 0.00 -1.51 0.00 0.00 72.50 67.69 1ovy s THR 52 CO 0.06 -0.91 1.26 -0.38 -2.21 0.00 0.00 174.62 172.44 1ovy n ILE 53 N 3.78 1.65 -2.34 5.08 2.08 -1.10 -4.81 119.36 123.71 1ovy n ILE 53 Ca 0.08 -1.57 0.00 0.00 0.56 0.00 0.00 62.75 61.82 1ovy n ILE 53 Cb 0.41 0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 1ovy n ILE 53 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1ovy n VAL 54 N -0.39 0.00 0.00 1.39 0.24 -0.61 -4.76 118.33 114.20 1ovy n VAL 54 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1ovy n VAL 54 Cb 0.62 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 -2.82 0.00 -3.55 -1.34 2.88 -1.26 -2.34 113.62 105.19 1ovy n SER 55 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1ovy n SER 55 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.92 0.22 -1.46 0.00 -0.90 -4.82 121.76 111.88 1ovy s ALA 56 Ca 0.00 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.22 1ovy s ALA 56 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1ovy s ALA 56 CO 0.00 -0.55 0.42 -1.13 0.00 0.00 0.00 175.76 174.50 1ovy n SER 57 N 0.06 -1.22 -0.38 0.00 3.41 -1.26 -2.50 113.62 111.72 1ovy n SER 57 Ca -0.06 -1.92 0.30 0.00 -0.26 0.00 0.00 58.87 56.93 1ovy n SER 57 Cb 0.60 2.05 0.57 0.00 -0.26 0.00 0.00 64.21 67.17 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 1.56 0.27 0.00 6.66 1.03 -1.89 1.47 112.91 122.01 1ovy h THR 58 Ca -0.18 -0.07 -0.04 0.00 -0.01 0.00 0.00 66.41 66.10 1ovy h THR 58 Cb 0.69 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.80 1ovy h THR 58 CO 0.23 0.04 -0.19 -0.07 -0.01 0.00 0.00 175.52 175.52 1ovy h LEU 59 N 0.22 0.00 -9.26 0.00 4.07 -1.90 -3.40 115.31 105.05 1ovy h LEU 59 Ca 0.74 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 58.17 1ovy h LEU 59 Cb 2.08 0.00 0.23 0.00 1.08 0.00 0.00 40.66 44.05 1ovy h LEU 59 CO -0.43 0.19 -1.56 -0.67 -1.08 0.00 0.00 178.44 174.89 1ovy n ASP 60 N -4.15 -4.42 -0.09 -0.43 2.03 0.50 -4.90 116.55 105.09 1ovy n ASP 60 Ca -0.02 0.18 -0.20 0.00 0.52 0.00 0.00 54.79 55.27 1ovy n ASP 60 Cb 0.26 -0.87 -0.12 0.00 -0.72 0.00 0.00 41.12 39.68 1ovy n ASP 60 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ovy h LYS 61 N -1.22 0.01 -0.76 -0.67 3.64 -1.85 -3.23 116.57 112.50 1ovy h LYS 61 Ca -0.44 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.10 1ovy h LYS 61 Cb 1.31 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 1ovy h LYS 61 CO 0.27 1.01 0.52 1.49 -2.27 0.00 0.00 179.45 180.46 1ovy h GLU 62 N -0.97 0.27 0.20 1.90 4.57 -1.95 -2.03 114.58 116.57 1ovy h GLU 62 Ca -0.27 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 1ovy h GLU 62 Cb 1.26 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1ovy h GLU 62 CO -0.15 0.18 -0.10 0.74 -1.18 0.00 0.00 179.01 178.50 1ovy h PHE 63 N 0.28 -0.25 0.00 0.92 0.04 -1.88 -3.50 116.94 112.54 1ovy h PHE 63 Ca 0.38 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1ovy h PHE 63 Cb 1.06 0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1ovy h PHE 63 CO -0.00 0.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 1ovy n GLY 64 N 0.40 0.57 0.17 -1.45 0.00 -0.77 -4.64 105.19 99.47 1ovy n GLY 64 Ca -0.08 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 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 2.57 -2.79 0.99 4.32 -1.26 -4.71 117.00 116.12 1ovy n LEU 65 Ca 0.00 -0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 1ovy n LEU 65 Cb 0.00 -0.69 0.01 0.00 -1.62 0.00 0.00 43.42 41.12 1ovy n LEU 65 CO 0.00 0.73 0.10 0.47 -1.22 0.00 0.00 177.39 177.47 1ovy n ASP 66 N -3.34 -3.30 -0.03 -1.43 9.92 -1.26 -4.72 116.55 112.38 1ovy n ASP 66 Ca -0.38 -2.91 -0.04 0.00 -0.53 0.00 0.00 54.79 50.93 1ovy n ASP 66 Cb 0.86 1.66 -0.05 0.00 -0.64 0.00 0.00 41.12 42.95 1ovy n ASP 66 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ovy n SER 67 N 2.87 3.46 0.00 -2.24 2.88 -1.26 -4.87 113.62 114.46 1ovy n SER 67 Ca 0.18 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1ovy n SER 67 Cb 0.56 0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1ovy n SER 67 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ovy n THR 68 N -2.35 0.00 -3.29 2.46 -1.04 -1.26 -4.69 114.28 104.10 1ovy n THR 68 Ca -0.11 0.60 -0.17 0.00 -2.04 0.00 0.00 64.05 62.32 1ovy n THR 68 Cb 0.69 -1.40 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 1ovy n THR 68 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ovy n ASN 69 N -0.13 -1.53 0.00 8.00 0.23 -1.26 -4.53 115.26 116.03 1ovy n ASN 69 Ca 0.00 -0.19 0.00 0.00 -0.53 0.00 0.00 54.58 53.86 1ovy n ASN 69 Cb 0.00 -1.40 0.00 0.00 -2.08 0.00 0.00 39.78 36.30 1ovy n ASN 69 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ovy n ASN 70 N -1.90 0.00 0.24 0.53 4.13 -1.26 -4.82 115.26 112.18 1ovy n ASN 70 Ca 0.04 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.46 1ovy n ASN 70 Cb 0.49 0.00 0.85 0.00 -1.54 0.00 0.00 39.78 39.58 1ovy n ASN 70 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1ovy h ILE 71 N 3.17 0.00 -0.75 2.41 6.09 -1.81 -3.21 117.51 123.41 1ovy h ILE 71 Ca 0.00 -0.06 0.10 0.00 -1.37 0.00 0.00 64.86 63.53 1ovy h ILE 71 Cb 0.00 0.81 -0.12 0.00 0.47 0.00 0.00 36.82 37.98 1ovy h ILE 71 CO 0.00 0.00 -0.48 -0.08 -3.07 0.00 0.00 178.15 174.52 1ovy h GLU 72 N 0.00 -0.14 -0.34 2.19 4.57 -1.91 1.70 114.58 120.64 1ovy h GLU 72 Ca 0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1ovy h GLU 72 Cb 0.07 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1ovy h GLU 72 CO 0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 179.01 177.72 1ovy h ALA 73 N 0.67 0.47 0.00 2.92 0.00 -1.79 -2.41 119.26 119.13 1ovy h ALA 73 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ovy h ALA 73 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ovy h ALA 73 CO -0.80 0.25 -0.01 0.00 0.00 0.00 0.00 179.25 178.69 1ovy h ALA 74 N 0.84 1.04 -0.06 0.00 0.00 -1.18 -0.60 119.26 119.30 1ovy h ALA 74 Ca 0.09 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1ovy h ALA 74 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ovy h ALA 74 CO 0.02 0.01 -0.83 1.57 0.00 0.00 0.00 179.25 180.02 1ovy h LYS 75 N 0.00 0.51 0.31 0.00 2.10 0.29 1.62 116.57 121.40 1ovy h LYS 75 Ca -0.00 -0.46 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1ovy h LYS 75 Cb 0.17 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.58 1ovy h LYS 75 CO 0.00 1.10 -0.49 -0.22 -2.00 0.00 0.00 179.45 177.84 1ovy h LYS 76 N 0.33 -0.82 0.05 0.07 3.64 -0.89 0.27 116.57 119.23 1ovy h LYS 76 Ca -0.06 0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1ovy h LYS 76 Cb 1.44 0.19 0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1ovy h LYS 76 CO 0.15 -0.54 -0.49 0.28 -2.27 0.00 0.00 179.45 176.58 1ovy h VAL 77 N -0.85 1.55 -0.85 2.00 2.07 -1.56 -3.03 116.25 115.59 1ovy h VAL 77 Ca -0.03 -2.26 0.22 0.00 0.82 0.00 0.00 66.70 65.45 1ovy h VAL 77 Cb 0.79 3.00 -0.13 0.00 -1.52 0.00 0.00 31.29 33.43 1ovy h VAL 77 CO -0.17 0.63 0.22 1.23 0.02 0.00 0.00 177.57 179.50 1ovy h GLY 78 N -0.46 1.27 0.79 2.17 0.00 0.24 0.80 103.07 107.88 1ovy h GLY 78 Ca -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1ovy h GLY 78 CO 0.09 -0.33 -0.06 0.83 0.00 0.00 0.00 176.54 177.08 1ovy h GLU 79 N 0.22 0.36 0.86 4.80 5.08 -1.03 0.29 114.58 125.16 1ovy h GLU 79 Ca 0.52 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1ovy h GLU 79 Cb 1.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ovy h GLU 79 CO -0.62 0.63 -0.49 1.25 -1.00 0.00 0.00 179.01 178.78 1ovy h LEU 80 N 0.07 -1.21 -1.06 1.33 5.85 -0.68 0.51 115.31 120.11 1ovy h LEU 80 Ca 0.04 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1ovy h LEU 80 Cb 0.51 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1ovy h LEU 80 CO 0.02 -0.77 0.63 -0.37 -0.34 0.00 0.00 178.44 177.60 1ovy h VAL 81 N -1.25 1.02 0.58 1.05 -1.51 0.43 -2.61 116.25 113.95 1ovy h VAL 81 Ca -0.12 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 1ovy h VAL 81 Cb 0.99 -0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1ovy h VAL 81 CO 0.14 0.19 -0.45 0.00 -1.23 0.00 0.00 177.57 176.23 1ovy h ALA 82 N 1.50 -1.07 -0.99 5.19 0.00 -0.04 1.19 119.26 125.05 1ovy h ALA 82 Ca 0.44 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.50 1ovy h ALA 82 Cb 0.29 0.60 -0.16 0.00 0.00 0.00 0.00 17.79 18.53 1ovy h ALA 82 CO -0.19 -1.13 0.52 -0.22 0.00 0.00 0.00 179.25 178.23 1ovy h LYS 83 N -1.00 0.23 0.10 0.00 1.63 -0.52 1.12 116.57 118.13 1ovy h LYS 83 Ca -0.07 -0.01 -0.29 0.00 -0.85 0.00 0.00 60.65 59.42 1ovy h LYS 83 Cb 0.84 -0.05 0.03 0.00 -0.60 0.00 0.00 32.23 32.45 1ovy h LYS 83 CO 0.01 0.15 -1.22 -0.09 -3.45 0.00 0.00 179.45 174.85 1ovy h ARG 84 N 0.23 0.64 0.43 1.90 9.65 -1.22 -2.95 114.38 123.07 1ovy h ARG 84 Ca 0.75 -0.82 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1ovy h ARG 84 Cb 1.76 0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 30.59 1ovy h ARG 84 CO -0.66 1.37 -0.43 0.00 2.80 0.00 0.00 179.97 183.06 1ovy h ALA 85 N 0.31 -1.10 -0.10 2.80 0.00 0.98 -2.16 119.26 120.00 1ovy h ALA 85 Ca -0.18 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1ovy h ALA 85 Cb 1.88 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 20.27 1ovy h ALA 85 CO 0.23 -1.12 -0.37 1.37 0.00 0.00 0.00 179.25 179.36 1ovy h LEU 86 N -0.86 -1.14 -1.45 0.00 -0.00 -0.56 -0.41 115.31 110.89 1ovy h LEU 86 Ca -0.05 0.15 0.23 0.00 -0.00 0.00 0.00 57.88 58.21 1ovy h LEU 86 Cb 0.74 0.47 -0.03 0.00 -0.00 0.00 0.00 40.66 41.84 1ovy h LEU 86 CO -0.05 -0.40 0.92 -0.33 -0.00 0.00 0.00 178.44 178.57 1ovy h GLU 87 N -0.47 0.00 -5.96 0.17 4.39 -1.33 -3.27 114.58 108.11 1ovy h GLU 87 Ca 0.08 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.17 1ovy h GLU 87 Cb 0.59 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 1ovy h GLU 87 CO -0.35 0.00 1.75 0.15 -1.16 0.00 0.00 179.01 179.40 1ovy s LYS 88 N -4.51 3.67 0.92 2.33 3.01 -0.17 -4.77 119.74 120.22 1ovy s LYS 88 Ca -0.03 -1.46 0.00 0.00 -1.01 0.00 0.00 55.97 53.47 1ovy s LYS 88 Cb 0.15 -5.42 0.00 0.00 -1.01 0.00 0.00 37.83 31.55 1ovy s LYS 88 CO 0.51 -2.35 0.00 0.41 0.51 0.00 0.00 175.35 174.43 1ovy n GLY 89 N 6.22 0.18 3.54 -3.33 0.00 -1.25 -3.98 105.19 106.57 1ovy n GLY 89 Ca 0.41 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 0.00 -3.52 -0.61 5.41 -1.26 -4.87 119.36 114.51 1ovy n ILE 90 Ca 0.00 -0.12 -0.42 0.00 1.00 0.00 0.00 62.75 63.22 1ovy n ILE 90 Cb 0.00 -0.82 -0.08 0.00 -0.71 0.00 0.00 39.64 38.03 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 -4.15 2.59 0.00 0.38 1.02 -1.23 -4.43 119.74 113.91 1ovy s LYS 91 Ca 0.62 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1ovy s LYS 91 Cb -0.22 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.13 1ovy s LYS 91 CO 0.63 -1.17 0.00 1.04 -0.92 0.00 0.00 175.35 174.93 1ovy n GLN 92 N 4.97 0.00 -4.41 1.68 3.00 -1.23 -4.50 117.38 116.89 1ovy n GLN 92 Ca -0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 1ovy n GLN 92 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.55 1ovy n GLN 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ovy s VAL 93 N -2.00 2.18 -0.36 5.09 1.01 -1.26 -4.40 120.40 120.65 1ovy s VAL 93 Ca 0.00 -2.22 -0.13 0.00 0.00 0.00 0.00 61.98 59.63 1ovy s VAL 93 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1ovy s VAL 93 CO 0.00 -0.39 0.24 0.54 0.00 0.00 0.00 175.10 175.49 1ovy s VAL 94 N -2.42 5.04 0.83 2.92 0.11 -1.26 -4.71 120.40 120.91 1ovy s VAL 94 Ca 0.24 -0.50 -0.15 0.00 -2.93 0.00 0.00 61.98 58.64 1ovy s VAL 94 Cb -0.05 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 1ovy s VAL 94 CO 0.11 -0.13 0.29 2.22 -3.33 0.00 0.00 175.10 174.26 1ovy n PHE 95 N 5.08 -1.70 -2.49 1.54 -1.74 -1.26 0.83 117.46 117.72 1ovy n PHE 95 Ca -0.12 0.26 -0.27 0.00 -0.56 0.00 0.00 57.45 56.76 1ovy n PHE 95 Cb 0.48 -1.79 0.01 0.00 1.52 0.00 0.00 39.48 39.70 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 -1.60 5.99 0.56 5.98 2.15 0.47 -4.62 116.67 125.61 1ovy s ASP 96 Ca 0.59 0.87 0.27 0.00 0.43 0.00 0.00 52.55 54.70 1ovy s ASP 96 Cb -0.28 -2.04 1.49 0.00 -0.30 0.00 0.00 42.92 41.79 1ovy s ASP 96 CO 0.65 -0.79 2.00 -0.09 -0.17 0.00 0.00 175.17 176.77 1ovy h ARG 97 N 0.03 0.00 -0.39 4.34 2.43 -1.92 -2.29 114.38 116.59 1ovy h ARG 97 Ca -0.46 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.79 1ovy h ARG 97 Cb 1.22 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.68 1ovy h ARG 97 CO 0.61 0.00 -0.27 0.78 -1.51 0.00 0.00 179.97 179.58 1ovy h GLY 98 N 0.00 -0.10 -0.05 2.80 0.00 -1.93 -3.42 103.07 100.38 1ovy h GLY 98 Ca 0.19 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.85 1ovy h GLY 98 CO -0.00 -0.21 -0.01 0.61 0.00 0.00 0.00 176.54 176.93 1ovy n GLY 99 N -1.40 -3.05 0.00 4.60 0.00 -0.86 -5.01 105.19 99.47 1ovy n GLY 99 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.95 0.00 0.29 1.61 4.11 -1.26 -4.99 117.16 113.96 1ovy n TYR 100 Ca 0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.90 58.05 1ovy n TYR 100 Cb 0.03 0.00 0.88 0.00 -0.00 0.00 0.00 39.34 40.24 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 0.00 0.00 -3.48 7.12 -1.99 -3.48 115.31 113.47 1ovy h LEU 101 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ovy h LEU 101 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ovy h LEU 101 CO 0.00 0.01 0.00 -1.22 -0.13 0.00 0.00 178.44 177.10 1ovy n TYR 102 N -3.92 0.00 -1.57 1.25 4.01 -1.26 -5.09 117.16 110.57 1ovy n TYR 102 Ca -0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1ovy n TYR 102 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.16 0.00 -0.72 -0.00 -1.26 -4.98 115.22 108.10 1ovy n HIS 103 Ca 0.00 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1ovy n HIS 103 Cb 0.00 -1.63 0.00 0.00 -0.12 0.00 0.00 29.99 28.24 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 -0.80 -0.65 0.08 1.57 0.00 -1.26 -5.01 105.19 99.13 1ovy n GLY 104 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 0.50 0.06 1.61 1.85 -1.26 -3.94 116.66 115.48 1ovy n ARG 105 Ca 0.00 0.54 -0.12 0.00 -1.00 0.00 0.00 57.85 57.27 1ovy n ARG 105 Cb 0.00 -1.71 -0.07 0.00 -1.05 0.00 0.00 32.46 29.62 1ovy n ARG 105 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1ovy h VAL 106 N -1.00 0.00 -0.19 8.89 2.07 -1.94 -0.17 116.25 123.92 1ovy h VAL 106 Ca -0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1ovy h VAL 106 Cb 0.82 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1ovy h VAL 106 CO -0.08 0.00 0.65 0.07 0.02 0.00 0.00 177.57 178.23 1ovy h LYS 107 N -0.53 0.00 -0.36 1.57 -0.00 -1.94 0.42 116.57 115.72 1ovy h LYS 107 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.61 1ovy h LYS 107 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.76 1ovy h LYS 107 CO -0.25 0.00 0.03 0.00 -0.00 0.00 0.00 179.45 179.24 1ovy h ALA 108 N 0.87 1.38 0.12 0.07 0.00 -1.14 2.62 119.26 123.19 1ovy h ALA 108 Ca 0.09 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 1ovy h ALA 108 Cb 1.39 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 19.05 1ovy h ALA 108 CO -0.00 0.43 -1.23 1.37 0.00 0.00 0.00 179.25 179.82 1ovy h LEU 109 N 0.54 0.81 -0.63 0.00 -0.00 -1.02 -1.09 115.31 113.91 1ovy h LEU 109 Ca 0.12 -0.75 -0.09 0.00 -0.00 0.00 0.00 57.88 57.15 1ovy h LEU 109 Cb 0.29 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1ovy h LEU 109 CO 0.01 1.56 -0.45 0.00 -0.00 0.00 0.00 178.44 179.56 1ovy h ALA 110 N 0.35 0.87 -0.11 0.17 0.00 -1.42 -2.86 119.26 116.26 1ovy h ALA 110 Ca -0.18 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1ovy h ALA 110 Cb 1.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1ovy h ALA 110 CO 0.23 0.56 -0.70 0.22 0.00 0.00 0.00 179.25 179.56 1ovy h ASP 111 N 0.00 0.57 -0.24 0.00 1.82 0.46 1.37 116.42 120.40 1ovy h ASP 111 Ca -0.00 -0.36 0.05 0.00 -0.39 0.00 0.00 57.03 56.33 1ovy h ASP 111 Cb 1.08 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.87 1ovy h ASP 111 CO 0.06 1.10 -0.08 0.00 -1.61 0.00 0.00 179.24 178.70 1ovy h ALA 112 N 0.90 0.12 0.05 -0.78 0.00 -0.96 1.46 119.26 120.05 1ovy h ALA 112 Ca -0.03 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1ovy h ALA 112 Cb 1.27 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ovy h ALA 112 CO 0.13 -0.50 -0.57 0.00 0.00 0.00 0.00 179.25 178.31 1ovy h ALA 113 N 1.18 0.00 0.28 0.00 0.00 -1.48 -2.99 119.26 116.26 1ovy h ALA 113 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ovy h ALA 113 Cb 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ovy h ALA 113 CO -0.27 0.29 -0.51 -0.09 0.00 0.00 0.00 179.25 178.67 1ovy h ARG 114 N -0.33 -0.81 -0.47 0.00 9.65 0.22 -2.24 114.38 120.39 1ovy h ARG 114 Ca -0.08 0.06 0.10 0.00 -1.10 0.00 0.00 59.98 58.95 1ovy h ARG 114 Cb 1.35 0.18 -0.09 0.00 -1.39 0.00 0.00 29.97 30.02 1ovy h ARG 114 CO 0.11 -0.54 -0.14 1.05 2.80 0.00 0.00 179.97 183.25 1ovy h GLU 115 N -0.84 -0.02 -0.50 0.20 4.11 0.19 0.37 114.58 118.09 1ovy h GLU 115 Ca -0.03 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.55 1ovy h GLU 115 Cb 0.79 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1ovy h GLU 115 CO -0.19 -0.02 0.55 0.00 0.07 0.00 0.00 179.01 179.43 1ovy h ALA 116 N 1.43 2.23 0.00 1.06 0.00 -1.30 -3.44 119.26 119.23 1ovy h ALA 116 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ovy h ALA 116 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ovy h ALA 116 CO -0.50 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.35 1ovy n GLY 117 N -1.52 1.45 3.58 0.00 0.00 0.13 -5.03 105.19 103.79 1ovy n GLY 117 Ca 0.10 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 3.42 -0.19 0.99 0.20 -0.89 -4.55 118.68 117.66 1ovy s LEU 118 Ca 0.00 0.87 -0.04 0.00 0.69 0.00 0.00 54.13 55.66 1ovy s LEU 118 Cb 0.00 -3.06 0.06 0.00 -0.43 0.00 0.00 46.19 42.76 1ovy s LEU 118 CO 0.00 -2.02 0.06 -0.70 -0.29 0.00 0.00 176.35 173.40 1ovy s GLU 119 N 6.31 0.41 0.00 1.98 2.56 -1.26 -5.03 118.70 123.67 1ovy s GLU 119 Ca 0.74 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 55.41 1ovy s GLU 119 Cb -0.18 -1.97 0.00 0.00 2.00 0.00 0.00 34.13 33.98 1ovy s GLU 119 CO 0.28 -0.67 0.00 0.34 -0.56 0.00 0.00 175.26 174.65