#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ovy h THR 25 N 0.00 0.22 0.00 2.61 1.35 -1.95 -3.40 112.91 111.74 1ovy h THR 25 Ca 0.00 -1.00 -0.16 0.00 -0.55 0.00 0.00 66.41 64.70 1ovy h THR 25 Cb 0.00 1.84 -0.12 0.00 -1.73 0.00 0.00 68.15 68.14 1ovy h THR 25 CO 0.00 0.10 -0.10 0.41 -0.25 0.00 0.00 175.52 175.69 1ovy n THR 26 N -3.17 0.00 0.00 6.82 -1.04 -1.26 -5.08 114.28 110.55 1ovy n THR 26 Ca 0.02 -1.09 0.00 0.00 -2.04 0.00 0.00 64.05 60.94 1ovy n THR 26 Cb 0.46 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 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 -0.57 0.00 -3.46 -2.82 4.07 -1.26 -5.09 120.64 111.51 1ovy n GLU 27 Ca -0.14 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.53 1ovy n GLU 27 Cb 0.75 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 32.05 1ovy n GLU 27 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1ovy s ARG 28 N 0.19 2.81 1.00 5.31 6.06 -1.26 -4.64 118.95 128.42 1ovy s ARG 28 Ca 0.00 -1.49 -0.20 0.00 -2.50 0.00 0.00 55.73 51.55 1ovy s ARG 28 Cb 0.00 -4.03 -0.16 0.00 0.06 0.00 0.00 34.95 30.82 1ovy s ARG 28 CO 0.00 -1.07 -1.01 -2.30 -2.50 0.00 0.00 175.30 168.42 1ovy n PRO 29 N 5.09 0.00 -3.73 5.12 -0.02 -1.26 0.58 135.00 140.78 1ovy n PRO 29 Ca -0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.35 1ovy n PRO 29 Cb 0.43 -1.00 -0.01 0.00 -0.02 0.00 0.00 33.50 32.90 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 -1.99 0.92 0.23 -0.52 1.70 -0.70 -3.51 118.95 115.08 1ovy s ARG 30 Ca 0.39 -0.52 -0.31 0.00 -0.47 0.00 0.00 55.73 54.82 1ovy s ARG 30 Cb -0.10 0.31 -0.11 0.00 -0.57 0.00 0.00 34.95 34.48 1ovy s ARG 30 CO 0.78 -0.42 1.56 -1.17 -1.08 0.00 0.00 175.30 174.97 1ovy s LEU 31 N -3.02 4.37 -0.12 -1.89 2.96 -1.18 -3.01 118.68 116.79 1ovy s LEU 31 Ca 0.14 2.76 0.01 0.00 -0.22 0.00 0.00 54.13 56.82 1ovy s LEU 31 Cb 0.01 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1ovy s LEU 31 CO 0.00 -0.83 -0.13 -0.44 -1.32 0.00 0.00 176.35 173.63 1ovy s SER 32 N 0.75 2.43 -0.47 3.68 0.01 0.24 0.12 113.70 120.46 1ovy s SER 32 Ca 0.66 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 57.33 1ovy s SER 32 Cb -0.45 -1.05 0.05 0.00 0.21 0.00 0.00 66.02 64.78 1ovy s SER 32 CO 0.39 -0.04 0.50 0.54 0.41 0.00 0.00 173.24 175.04 1ovy s VAL 33 N 1.34 5.04 0.29 3.43 0.11 -1.26 -2.04 120.40 127.30 1ovy s VAL 33 Ca 0.00 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 1ovy s VAL 33 Cb -0.14 -4.16 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 1ovy s VAL 33 CO -0.06 -0.61 -0.11 -0.36 -3.33 0.00 0.00 175.10 170.63 1ovy s PHE 34 N 2.22 2.15 -0.23 1.54 0.08 -0.77 -4.92 117.98 118.05 1ovy s PHE 34 Ca 0.11 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.64 1ovy s PHE 34 Cb -0.20 -1.15 0.05 0.00 -0.57 0.00 0.00 43.02 41.16 1ovy s PHE 34 CO 0.11 0.48 -0.09 1.03 -0.10 0.00 0.00 175.22 176.66 1ovy s ARG 35 N -3.63 1.99 -1.10 0.44 0.52 -1.26 0.33 118.95 116.23 1ovy s ARG 35 Ca 0.30 -1.07 -0.22 0.00 -0.52 0.00 0.00 55.73 54.21 1ovy s ARG 35 Cb 0.01 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 1ovy s ARG 35 CO 0.14 -0.53 1.79 -1.54 0.02 0.00 0.00 175.30 175.18 1ovy s SER 36 N 1.29 5.78 0.00 0.23 1.04 0.47 -4.77 113.70 117.74 1ovy s SER 36 Ca -0.05 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1ovy s SER 36 Cb -0.18 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1ovy s SER 36 CO -0.07 -2.23 0.00 0.59 0.98 0.00 0.00 173.24 172.51 1ovy n ASN 37 N 11.77 0.00 -0.49 7.02 3.02 -1.26 -0.24 115.26 135.08 1ovy n ASN 37 Ca 0.42 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 55.05 1ovy n ASN 37 Cb 0.47 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.00 1.52 -4.47 3.52 5.02 -1.26 -4.99 118.16 117.49 1ovy n LYS 38 Ca 0.00 -1.10 -0.25 0.00 -2.02 0.00 0.00 58.31 54.93 1ovy n LYS 38 Cb 0.00 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.62 2.44 -0.39 2.13 3.76 0.67 -4.69 115.29 117.59 1ovy s HIS 39 Ca 0.16 -0.47 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 1ovy s HIS 39 Cb 0.13 -1.39 0.02 0.00 1.11 0.00 0.00 32.58 32.45 1ovy s HIS 39 CO 0.30 0.56 0.25 0.96 -0.85 0.00 0.00 174.74 175.97 1ovy s ILE 40 N -2.57 4.91 -0.21 0.60 -5.25 -1.25 0.18 121.20 117.60 1ovy s ILE 40 Ca 0.33 -0.77 -0.21 0.00 -0.99 0.00 0.00 60.65 59.01 1ovy s ILE 40 Cb 0.01 -3.75 -0.02 0.00 2.95 0.00 0.00 42.46 41.65 1ovy s ILE 40 CO 0.17 -0.28 0.63 -0.47 -1.79 0.00 0.00 174.94 173.20 1ovy s TYR 41 N 1.61 3.35 -0.17 1.37 6.14 0.15 -4.77 117.35 125.04 1ovy s TYR 41 Ca 0.03 0.91 -0.17 0.00 0.64 0.00 0.00 57.07 58.48 1ovy s TYR 41 Cb -0.19 -2.81 -0.04 0.00 0.42 0.00 0.00 41.96 39.34 1ovy s TYR 41 CO 0.08 -0.21 0.46 0.00 0.64 0.00 0.00 175.55 176.53 1ovy s ALA 42 N 2.05 3.53 -0.34 3.97 0.00 -1.04 -1.85 121.76 128.06 1ovy s ALA 42 Ca 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 1ovy s ALA 42 Cb -0.16 -2.69 0.12 0.00 0.00 0.00 0.00 23.12 20.39 1ovy s ALA 42 CO 0.10 -0.23 0.18 -1.14 0.00 0.00 0.00 175.76 174.67 1ovy s GLN 43 N 1.15 0.60 -0.42 0.00 2.00 -0.87 -1.75 119.66 120.37 1ovy s GLN 43 Ca 0.23 -1.20 -0.12 0.00 -2.00 0.00 0.00 55.36 52.27 1ovy s GLN 43 Cb -0.15 -1.53 0.06 0.00 0.80 0.00 0.00 33.01 32.19 1ovy s GLN 43 CO 0.09 -1.12 0.30 0.42 -0.50 0.00 0.00 175.29 174.47 1ovy s ILE 44 N 1.29 4.77 -0.06 -2.34 1.01 -0.97 0.80 121.20 125.70 1ovy s ILE 44 Ca 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1ovy s ILE 44 Cb -0.21 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1ovy s ILE 44 CO -0.12 -0.44 -0.03 -0.51 0.00 0.00 0.00 174.94 173.83 1ovy s ILE 45 N 1.56 3.98 1.03 2.92 1.10 -1.16 -0.91 121.20 129.71 1ovy s ILE 45 Ca 0.03 -0.45 -0.20 0.00 -0.51 0.00 0.00 60.65 59.53 1ovy s ILE 45 Cb -0.22 -2.67 -0.04 0.00 0.15 0.00 0.00 42.46 39.67 1ovy s ILE 45 CO 0.06 0.55 -0.51 -0.90 -2.11 0.00 0.00 174.94 172.03 1ovy n ASP 46 N 2.00 -3.23 0.00 4.50 5.68 0.17 -2.43 116.55 123.25 1ovy n ASP 46 Ca -0.17 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 1ovy n ASP 46 Cb 0.53 -0.84 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 0.86 0.00 -0.11 -1.12 2.03 -1.23 -1.73 116.55 115.25 1ovy n ASP 47 Ca 0.01 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1ovy n ASP 47 Cb 0.63 0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 41.12 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 -2.42 1.50 -2.99 5.18 -2.24 -1.26 -4.73 114.28 107.32 1ovy n THR 48 Ca 0.00 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1ovy n THR 48 Cb 0.00 -2.13 -0.04 0.00 -2.10 0.00 0.00 70.33 66.07 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 -4.40 3.39 -4.02 -0.78 5.02 -1.26 -4.95 118.16 111.15 1ovy n LYS 49 Ca -0.31 -4.81 -0.40 0.00 -2.02 0.00 0.00 58.31 50.76 1ovy n LYS 49 Cb 0.64 -2.27 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 1ovy n LYS 49 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ovy n SER 50 N -0.01 -3.65 -3.91 4.39 3.41 -1.26 -3.61 113.62 108.98 1ovy n SER 50 Ca 0.32 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1ovy n SER 50 Cb 0.38 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 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 -4.42 0.00 -1.70 7.33 0.00 -1.26 -4.12 120.51 116.34 1ovy n ALA 51 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 1ovy n ALA 51 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 3.59 -0.79 0.00 -1.32 -1.26 -4.18 115.64 111.68 1ovy s THR 52 Ca 0.00 0.86 0.16 0.00 -1.21 0.00 0.00 61.69 61.50 1ovy s THR 52 Cb 0.00 -3.34 0.75 0.00 -1.51 0.00 0.00 72.50 68.40 1ovy s THR 52 CO 0.00 -0.34 1.65 -0.38 -2.21 0.00 0.00 174.62 173.35 1ovy n ILE 53 N -1.64 2.16 -2.18 5.08 5.41 -1.23 0.45 119.36 127.41 1ovy n ILE 53 Ca 0.10 -1.23 0.00 0.00 1.00 0.00 0.00 62.75 62.61 1ovy n ILE 53 Cb 0.52 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.90 0.00 0.00 1.39 3.14 -0.09 -4.74 118.33 118.94 1ovy n VAL 54 Ca 0.26 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 1ovy n VAL 54 Cb 1.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.78 1ovy n VAL 54 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ovy n SER 55 N 0.00 0.00 -3.63 6.55 7.64 -1.26 -2.29 113.62 120.63 1ovy n SER 55 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1ovy n SER 55 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ovy n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ovy s ALA 56 N -1.00 -2.00 0.00 -0.43 0.00 -0.72 -4.94 121.76 112.67 1ovy s ALA 56 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1ovy s ALA 56 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1ovy s ALA 56 CO 0.00 -0.91 0.00 -1.13 0.00 0.00 0.00 175.76 173.72 1ovy n SER 57 N -0.37 0.00 0.15 0.00 3.41 -1.26 -2.51 113.62 113.04 1ovy n SER 57 Ca -0.06 -0.75 0.12 0.00 -0.26 0.00 0.00 58.87 57.93 1ovy n SER 57 Cb 0.61 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.75 0.03 -1.77 6.66 1.03 -1.89 -1.87 112.91 115.85 1ovy h THR 58 Ca 0.00 0.00 0.52 0.00 -0.01 0.00 0.00 66.41 66.92 1ovy h THR 58 Cb 0.00 0.17 -0.08 0.00 -1.07 0.00 0.00 68.15 67.18 1ovy h THR 58 CO 0.00 0.00 1.27 0.18 -0.01 0.00 0.00 175.52 176.96 1ovy n LEU 59 N -2.89 0.01 -0.57 0.00 7.99 -1.26 -3.97 117.00 116.31 1ovy n LEU 59 Ca 0.07 0.93 0.00 0.00 -0.01 0.00 0.00 56.01 57.00 1ovy n LEU 59 Cb 1.01 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1ovy n LEU 59 CO 0.11 -0.94 0.00 0.47 -1.51 0.00 0.00 177.39 175.53 1ovy n ASP 60 N -3.80 -0.76 0.00 -1.43 8.00 -0.70 -4.91 116.55 112.94 1ovy n ASP 60 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1ovy n ASP 60 Cb 1.82 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 1ovy n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ovy n LYS 61 N -0.30 0.00 -0.05 -1.24 4.81 -1.26 -4.30 118.16 115.82 1ovy n LYS 61 Ca 0.00 0.22 -0.15 0.00 -0.87 0.00 0.00 58.31 57.51 1ovy n LYS 61 Cb 0.11 -0.68 -0.14 0.00 0.02 0.00 0.00 35.03 34.33 1ovy n LYS 61 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ovy n GLU 62 N -2.01 0.69 -0.18 1.64 2.13 -1.26 -4.46 120.64 117.19 1ovy n GLU 62 Ca 0.00 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.89 1ovy n GLU 62 Cb 0.00 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 29.96 1ovy n GLU 62 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1ovy h PHE 63 N 0.02 -1.69 0.00 4.31 0.04 -1.91 -3.47 116.94 114.25 1ovy h PHE 63 Ca -0.44 0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.42 1ovy h PHE 63 Cb 2.04 0.80 0.00 0.00 2.20 0.00 0.00 35.95 41.00 1ovy h PHE 63 CO 0.03 -0.47 0.00 0.41 -0.60 0.00 0.00 178.31 177.68 1ovy n GLY 64 N -1.36 2.05 2.52 -1.45 0.00 -1.26 -4.81 105.19 100.87 1ovy n GLY 64 Ca -0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1ovy n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ovy s LEU 65 N 0.00 1.86 0.52 0.99 1.02 -1.26 -4.68 118.68 117.12 1ovy s LEU 65 Ca 0.00 -2.83 0.00 0.00 0.02 0.00 0.00 54.13 51.32 1ovy s LEU 65 Cb 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.56 1ovy s LEU 65 CO 0.00 -0.22 0.00 0.47 0.02 0.00 0.00 176.35 176.62 1ovy n ASP 66 N 3.21 -9.23 0.00 2.29 9.92 -1.25 -5.03 116.55 116.46 1ovy n ASP 66 Ca 0.20 1.34 0.00 0.00 -0.53 0.00 0.00 54.79 55.80 1ovy n ASP 66 Cb 0.41 -5.17 0.00 0.00 -0.64 0.00 0.00 41.12 35.72 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 -0.53 0.00 0.19 -2.24 2.88 -1.26 -4.97 113.62 107.69 1ovy n SER 67 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1ovy n SER 67 Cb 0.00 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.13 1ovy n SER 67 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ovy h THR 68 N 0.00 0.14 -1.54 2.46 2.02 -1.88 -0.78 112.91 113.33 1ovy h THR 68 Ca 0.00 0.00 0.46 0.00 0.77 0.00 0.00 66.41 67.64 1ovy h THR 68 Cb 0.00 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 66.86 1ovy h THR 68 CO 0.00 0.00 1.08 0.78 0.37 0.00 0.00 175.52 177.75 1ovy h ASN 69 N 0.00 0.08 -3.57 4.18 2.35 -1.91 -3.34 115.58 113.36 1ovy h ASN 69 Ca 0.12 0.04 -0.68 0.00 -0.55 0.00 0.00 56.30 55.23 1ovy h ASN 69 Cb 1.18 0.03 -0.19 0.00 0.05 0.00 0.00 38.32 39.39 1ovy h ASN 69 CO -0.00 -0.04 -0.68 0.21 -1.65 0.00 0.00 177.43 175.27 1ovy s ASN 70 N -4.49 4.74 0.57 5.81 3.04 -0.30 -4.66 114.94 119.65 1ovy s ASN 70 Ca -0.06 -0.02 0.38 0.00 0.04 0.00 0.00 52.86 53.21 1ovy s ASN 70 Cb 0.26 -1.29 1.44 0.00 -1.54 0.00 0.00 41.25 40.12 1ovy s ASN 70 CO 0.85 0.34 1.60 0.40 -3.04 0.00 0.00 177.10 177.24 1ovy h ILE 71 N 4.36 0.15 -0.27 -5.21 1.08 -1.85 -2.11 117.51 113.65 1ovy h ILE 71 Ca -0.47 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1ovy h ILE 71 Cb 1.18 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 1ovy h ILE 71 CO 0.54 0.00 -0.45 -0.08 -0.69 0.00 0.00 178.15 177.47 1ovy h GLU 72 N 0.00 -0.34 0.80 2.37 4.81 -1.87 1.27 114.58 121.62 1ovy h GLU 72 Ca 0.64 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.86 1ovy h GLU 72 Cb 2.87 0.08 0.00 0.00 0.63 0.00 0.00 28.75 32.33 1ovy h GLU 72 CO -0.01 -0.23 -0.43 0.00 -0.73 0.00 0.00 179.01 177.61 1ovy h ALA 73 N -0.36 -1.28 -0.24 2.92 0.00 -1.54 -1.27 119.26 117.49 1ovy h ALA 73 Ca 0.05 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ovy h ALA 73 Cb 0.49 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ovy h ALA 73 CO -0.45 -1.22 0.33 0.00 0.00 0.00 0.00 179.25 177.92 1ovy h ALA 74 N -1.36 1.82 0.00 0.00 0.00 -1.62 1.26 119.26 119.36 1ovy h ALA 74 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ovy h ALA 74 Cb 0.89 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ovy h ALA 74 CO 0.15 -0.46 -0.05 -0.22 0.00 0.00 0.00 179.25 178.67 1ovy h LYS 75 N 0.00 0.00 0.20 0.00 3.64 0.26 1.17 116.57 121.84 1ovy h LYS 75 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1ovy h LYS 75 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1ovy h LYS 75 CO -0.00 0.05 -0.10 0.87 -2.27 0.00 0.00 179.45 178.01 1ovy h LYS 76 N 0.00 -0.26 0.00 1.90 1.57 0.27 -3.28 116.57 116.77 1ovy h LYS 76 Ca -0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1ovy h LYS 76 Cb 0.82 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1ovy h LYS 76 CO 0.01 -0.17 -0.58 0.28 -0.57 0.00 0.00 179.45 178.41 1ovy h VAL 77 N -0.93 1.04 -1.28 0.50 2.07 -1.57 -2.73 116.25 113.35 1ovy h VAL 77 Ca -0.03 -1.98 0.37 0.00 0.82 0.00 0.00 66.70 65.88 1ovy h VAL 77 Cb 0.20 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 1ovy h VAL 77 CO 0.04 0.35 0.88 1.23 0.02 0.00 0.00 177.57 180.10 1ovy h GLY 78 N -1.00 0.61 0.59 2.17 0.00 0.12 0.54 103.07 106.10 1ovy h GLY 78 Ca -0.15 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 46.89 1ovy h GLY 78 CO -0.09 -0.12 -1.02 -2.09 0.00 0.00 0.00 176.54 173.21 1ovy h GLU 79 N 0.12 0.26 0.01 4.80 4.57 -1.55 -2.52 114.58 120.27 1ovy h GLU 79 Ca 0.68 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 58.45 1ovy h GLU 79 Cb 2.34 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 31.04 1ovy h GLU 79 CO -0.17 1.21 -0.32 1.25 -1.18 0.00 0.00 179.01 179.80 1ovy h LEU 80 N -0.39 -0.95 -1.23 1.64 5.85 0.13 0.69 115.31 121.04 1ovy h LEU 80 Ca -0.20 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1ovy h LEU 80 Cb 1.65 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 43.02 1ovy h LEU 80 CO 0.10 -0.38 0.52 1.62 -0.34 0.00 0.00 178.44 179.96 1ovy h VAL 81 N -0.47 1.18 -0.75 1.05 3.04 -0.33 -1.19 116.25 118.79 1ovy h VAL 81 Ca 0.06 -0.36 0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1ovy h VAL 81 Cb 0.56 0.05 -0.04 0.00 -2.01 0.00 0.00 31.29 29.85 1ovy h VAL 81 CO -0.26 0.19 0.49 0.00 -1.01 0.00 0.00 177.57 176.98 1ovy h ALA 82 N 1.52 0.95 -0.72 3.17 0.00 -0.56 1.06 119.26 124.66 1ovy h ALA 82 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ovy h ALA 82 Cb -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1ovy h ALA 82 CO -0.07 0.37 0.46 -0.22 0.00 0.00 0.00 179.25 179.79 1ovy h LYS 83 N 1.01 0.96 -0.03 0.00 1.63 0.15 0.64 116.57 120.93 1ovy h LYS 83 Ca 0.27 -0.07 -0.25 0.00 -0.85 0.00 0.00 60.65 59.76 1ovy h LYS 83 Cb -0.11 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 31.33 1ovy h LYS 83 CO -0.06 0.65 -0.96 0.00 -3.45 0.00 0.00 179.45 175.63 1ovy h ARG 84 N 0.99 0.65 -0.30 1.90 2.47 -0.41 0.84 114.38 120.51 1ovy h ARG 84 Ca 0.26 -0.66 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 1ovy h ARG 84 Cb -0.08 0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1ovy h ARG 84 CO -0.05 1.26 0.11 0.00 0.56 0.00 0.00 179.97 181.84 1ovy h ALA 85 N 0.52 0.40 0.00 0.04 0.00 0.20 0.65 119.26 121.06 1ovy h ALA 85 Ca -0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1ovy h ALA 85 Cb 1.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1ovy h ALA 85 CO 0.19 0.02 -0.30 1.37 0.00 0.00 0.00 179.25 180.52 1ovy h LEU 86 N 0.34 0.00 0.18 0.00 8.10 0.22 -2.25 115.31 121.89 1ovy h LEU 86 Ca 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.08 1ovy h LEU 86 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1ovy h LEU 86 CO -0.01 0.30 -0.09 -0.33 -4.11 0.00 0.00 178.44 174.20 1ovy h GLU 87 N 0.00 -0.23 0.10 0.17 4.39 -0.18 -3.38 114.58 115.46 1ovy h GLU 87 Ca -0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ovy h GLU 87 Cb 0.89 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.55 1ovy h GLU 87 CO 0.04 -0.16 -0.52 0.87 -1.16 0.00 0.00 179.01 178.08 1ovy h LYS 88 N -0.85 -0.71 -6.81 2.33 6.56 0.20 -3.40 116.57 113.90 1ovy h LYS 88 Ca -0.02 0.05 -0.53 0.00 -1.06 0.00 0.00 60.65 59.08 1ovy h LYS 88 Cb 0.19 0.16 0.08 0.00 -0.57 0.00 0.00 32.23 32.09 1ovy h LYS 88 CO 0.04 -0.47 0.84 0.20 -2.06 0.00 0.00 179.45 178.00 1ovy s GLY 89 N -2.19 2.26 0.55 3.86 0.00 -0.85 -4.81 107.32 106.13 1ovy s GLY 89 Ca -0.16 1.52 0.45 0.00 0.00 0.00 0.00 44.72 46.53 1ovy s GLY 89 CO 0.60 2.45 1.65 1.19 0.00 0.00 0.00 173.10 178.99 1ovy h ILE 90 N 3.37 0.14 -4.73 0.90 2.10 -1.78 -3.41 117.51 114.10 1ovy h ILE 90 Ca -0.47 -0.00 -0.40 0.00 1.08 0.00 0.00 64.86 65.07 1ovy h ILE 90 Cb 1.22 0.13 -0.13 0.00 -1.09 0.00 0.00 36.82 36.96 1ovy h ILE 90 CO 0.77 0.00 -0.47 -0.54 -1.08 0.00 0.00 178.15 176.83 1ovy s LYS 91 N -4.92 1.67 1.40 2.19 1.02 -1.26 -5.02 119.74 114.83 1ovy s LYS 91 Ca -0.05 -1.90 -0.21 0.00 0.02 0.00 0.00 55.97 53.82 1ovy s LYS 91 Cb 0.26 0.33 0.36 0.00 -0.52 0.00 0.00 37.83 38.26 1ovy s LYS 91 CO 0.86 -0.62 0.93 -0.65 -0.92 0.00 0.00 175.35 174.95 1ovy s GLN 92 N -3.53 -2.77 0.36 1.68 1.11 -1.17 -4.54 119.66 110.80 1ovy s GLN 92 Ca 0.39 0.26 0.08 0.00 0.01 0.00 0.00 55.36 56.10 1ovy s GLN 92 Cb 0.03 -1.38 -0.03 0.00 -1.01 0.00 0.00 33.01 30.62 1ovy s GLN 92 CO 0.24 -4.80 0.28 0.54 0.01 0.00 0.00 175.29 171.56 1ovy s VAL 93 N -2.25 3.20 -0.29 1.09 0.11 -1.26 -3.95 120.40 117.05 1ovy s VAL 93 Ca 0.68 -1.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.20 1ovy s VAL 93 Cb -0.15 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1ovy s VAL 93 CO 0.59 -0.13 0.18 0.54 -3.33 0.00 0.00 175.10 172.95 1ovy s VAL 94 N -2.37 5.10 -0.75 2.04 0.11 -1.26 -4.37 120.40 118.89 1ovy s VAL 94 Ca 0.42 -0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.19 1ovy s VAL 94 Cb -0.04 -3.48 -0.15 0.00 -1.53 0.00 0.00 36.38 31.17 1ovy s VAL 94 CO 0.26 0.19 2.50 2.22 -3.33 0.00 0.00 175.10 176.94 1ovy n PHE 95 N 5.04 0.96 0.00 1.54 -1.74 -1.26 -3.58 117.46 118.42 1ovy n PHE 95 Ca -0.14 0.19 0.00 0.00 -0.56 0.00 0.00 57.45 56.94 1ovy n PHE 95 Cb 0.51 -2.36 0.00 0.00 1.52 0.00 0.00 39.48 39.15 1ovy n PHE 95 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1ovy n ASP 96 N 13.41 0.00 -1.65 5.98 5.75 0.32 -1.93 116.55 138.43 1ovy n ASP 96 Ca 0.51 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 55.33 1ovy n ASP 96 Cb 0.31 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.71 1ovy n ASP 96 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ovy n ARG 97 N 3.01 3.97 0.00 0.11 1.85 -1.26 -4.90 116.66 119.44 1ovy n ARG 97 Ca 0.00 -2.51 0.00 0.00 -1.00 0.00 0.00 57.85 54.34 1ovy n ARG 97 Cb 0.00 -2.10 0.00 0.00 -1.05 0.00 0.00 32.46 29.31 1ovy n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ovy n GLY 98 N 0.40 0.26 0.17 2.89 0.00 -0.81 -5.03 105.19 103.06 1ovy n GLY 98 Ca 0.24 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 1ovy n GLY 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ovy h GLY 99 N 0.00 -1.29 0.00 -0.02 0.00 -1.91 -3.44 103.07 96.42 1ovy h GLY 99 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1ovy h GLY 99 CO 0.00 -0.42 0.00 1.58 0.00 0.00 0.00 176.54 177.70 1ovy n TYR 100 N -3.54 0.00 0.00 5.60 0.18 -1.26 -5.01 117.16 113.13 1ovy n TYR 100 Ca -0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1ovy n TYR 100 Cb 0.14 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 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 7.94 -1.26 -4.77 117.00 115.42 1ovy n LEU 101 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ovy n LEU 101 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ovy n LEU 101 CO 0.00 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.06 1ovy n TYR 102 N 0.00 0.00 0.00 1.96 4.02 -1.26 -5.04 117.16 116.84 1ovy n TYR 102 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ovy n TYR 102 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1ovy n TYR 102 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1ovy n HIS 103 N -1.13 0.00 0.00 -0.72 -0.00 -1.26 -5.02 115.22 107.08 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 -0.43 0.88 0.08 1.57 0.00 -1.26 -5.02 105.19 101.01 1ovy n GLY 104 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1ovy n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ovy n ARG 105 N 0.00 0.48 -0.38 1.61 3.00 -1.26 -4.36 116.66 115.75 1ovy n ARG 105 Ca 0.00 0.48 0.38 0.00 -0.01 0.00 0.00 57.85 58.69 1ovy n ARG 105 Cb 0.00 -1.66 0.75 0.00 0.00 0.00 0.00 32.46 31.56 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 0.35 0.01 1.55 -1.51 -1.95 0.12 116.25 113.82 1ovy h VAL 106 Ca -0.07 -0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1ovy h VAL 106 Cb 0.73 0.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.20 1ovy h VAL 106 CO -0.05 0.00 -0.13 0.07 -1.23 0.00 0.00 177.57 176.24 1ovy h LYS 107 N 0.01 -0.22 -1.13 5.19 2.10 -1.96 -2.22 116.57 118.35 1ovy h LYS 107 Ca 0.62 0.01 0.35 0.00 -2.00 0.00 0.00 60.65 59.64 1ovy h LYS 107 Cb 2.46 0.05 -0.13 0.00 -0.90 0.00 0.00 32.23 33.71 1ovy h LYS 107 CO -0.02 -0.14 0.70 0.00 -2.00 0.00 0.00 179.45 177.98 1ovy h ALA 108 N 0.72 2.31 0.59 0.07 0.00 -1.17 1.92 119.26 123.70 1ovy h ALA 108 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ovy h ALA 108 Cb 0.28 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ovy h ALA 108 CO -0.12 -0.89 -0.32 -0.07 0.00 0.00 0.00 179.25 177.85 1ovy h LEU 109 N 0.24 -0.78 -0.52 0.00 3.38 -1.51 -2.92 115.31 113.20 1ovy h LEU 109 Ca 0.74 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.60 1ovy h LEU 109 Cb 1.98 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.93 1ovy h LEU 109 CO -0.47 -0.51 -0.70 0.00 0.09 0.00 0.00 178.44 176.85 1ovy h ALA 110 N -1.51 0.78 -0.85 1.53 0.00 -1.33 -3.27 119.26 114.61 1ovy h ALA 110 Ca -0.08 -0.64 0.21 0.00 0.00 0.00 0.00 54.91 54.40 1ovy h ALA 110 Cb 0.65 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.18 1ovy h ALA 110 CO 0.11 0.88 0.03 0.22 0.00 0.00 0.00 179.25 180.48 1ovy h ASP 111 N 0.00 -0.37 -0.59 0.00 3.58 0.30 1.33 116.42 120.67 1ovy h ASP 111 Ca -0.01 0.23 0.11 0.00 0.42 0.00 0.00 57.03 57.78 1ovy h ASP 111 Cb 1.29 0.39 -0.12 0.00 1.72 0.00 0.00 39.33 42.61 1ovy h ASP 111 CO 0.09 -0.23 -0.28 0.00 -2.88 0.00 0.00 179.24 175.94 1ovy h ALA 112 N 1.81 0.09 0.00 -0.78 0.00 -1.56 1.74 119.26 120.57 1ovy h ALA 112 Ca 0.49 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.48 1ovy h ALA 112 Cb 0.92 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1ovy h ALA 112 CO -0.76 -0.60 -0.51 0.00 0.00 0.00 0.00 179.25 177.38 1ovy h ALA 113 N 1.18 0.75 0.22 0.00 0.00 -0.80 -3.03 119.26 117.57 1ovy h ALA 113 Ca 0.25 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ovy h ALA 113 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ovy h ALA 113 CO -0.67 0.63 -0.10 -0.09 0.00 0.00 0.00 179.25 179.03 1ovy h ARG 114 N 0.00 -0.28 -0.77 0.00 1.12 0.61 -2.33 114.38 112.74 1ovy h ARG 114 Ca -0.01 0.02 0.13 0.00 -1.11 0.00 0.00 59.98 59.01 1ovy h ARG 114 Cb 1.25 0.06 -0.09 0.00 -0.01 0.00 0.00 29.97 31.19 1ovy h ARG 114 CO 0.07 -0.19 0.37 1.49 -3.11 0.00 0.00 179.97 178.60 1ovy h GLU 115 N -0.93 0.55 -0.46 0.20 4.81 0.22 0.96 114.58 119.92 1ovy h GLU 115 Ca -0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1ovy h GLU 115 Cb 0.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1ovy h GLU 115 CO 0.05 0.36 0.23 0.00 -0.73 0.00 0.00 179.01 178.92 1ovy h ALA 116 N 1.51 1.54 0.00 2.92 0.00 -1.65 -3.45 119.26 120.13 1ovy h ALA 116 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ovy h ALA 116 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ovy h ALA 116 CO -0.34 0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1ovy n GLY 117 N -1.27 0.26 3.56 0.00 0.00 0.27 -5.09 105.19 102.92 1ovy n GLY 117 Ca 0.04 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 3.29 -0.17 0.99 1.98 -0.84 -3.97 118.68 119.96 1ovy s LEU 118 Ca 0.00 0.25 -0.04 0.00 -2.89 0.00 0.00 54.13 51.44 1ovy s LEU 118 Cb 0.00 -2.64 0.06 0.00 0.66 0.00 0.00 46.19 44.27 1ovy s LEU 118 CO 0.00 -2.18 0.07 -1.61 -1.89 0.00 0.00 176.35 170.74 1ovy s GLU 119 N 6.59 0.20 0.00 1.98 2.02 -1.26 -5.00 118.70 123.23 1ovy s GLU 119 Ca 0.61 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1ovy s GLU 119 Cb -0.12 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1ovy s GLU 119 CO 0.21 -0.64 0.00 0.34 0.02 0.00 0.00 175.26 175.19