#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 -1.63 2.61 -1.04 -1.26 -4.68 114.28 108.29 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 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 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 -2.19 0.00 -0.02 12.58 -1.04 -1.26 -4.85 114.28 117.50 1ovy n THR 26 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1ovy n THR 26 Cb 0.00 0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.00 0.12 -2.84 -2.82 4.07 -1.26 -4.93 120.64 112.98 1ovy n GLU 27 Ca 0.00 0.14 -0.11 0.00 -0.06 0.00 0.00 57.16 57.13 1ovy n GLU 27 Cb 0.42 -0.81 0.06 0.00 -0.06 0.00 0.00 31.44 31.05 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 -2.93 1.03 -2.66 5.31 0.63 -1.26 -5.01 116.66 111.77 1ovy n ARG 28 Ca -0.03 -2.35 -0.43 0.00 -0.92 0.00 0.00 57.85 54.12 1ovy n ARG 28 Cb 0.11 -1.11 -0.03 0.00 0.45 0.00 0.00 32.46 31.88 1ovy n ARG 28 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1ovy s PRO 29 N -0.59 3.64 0.00 -0.14 0.02 -1.26 -4.55 135.00 132.12 1ovy s PRO 29 Ca 0.27 0.41 0.00 0.00 0.02 0.00 0.00 61.00 61.70 1ovy s PRO 29 Cb 0.32 -3.93 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1ovy s PRO 29 CO -0.06 -1.37 0.00 2.89 -0.33 0.00 0.00 177.00 178.13 1ovy n ARG 30 N 7.71 0.00 -1.76 5.54 1.85 -0.24 -4.09 116.66 125.66 1ovy n ARG 30 Ca 0.10 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.54 1ovy n ARG 30 Cb 0.49 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.89 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 4.33 -0.12 2.89 1.98 -1.17 -2.47 118.68 124.11 1ovy s LEU 31 Ca 0.00 3.02 -0.03 0.00 -2.89 0.00 0.00 54.13 54.23 1ovy s LEU 31 Cb 0.00 -3.65 -0.03 0.00 0.66 0.00 0.00 46.19 43.17 1ovy s LEU 31 CO 0.00 -0.92 -0.01 -0.94 -1.89 0.00 0.00 176.35 172.58 1ovy s SER 32 N 0.26 5.04 -0.35 3.68 1.04 0.33 -2.31 113.70 121.39 1ovy s SER 32 Ca 0.59 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.97 1ovy s SER 32 Cb -0.48 -1.61 0.04 0.00 0.10 0.00 0.00 66.02 64.07 1ovy s SER 32 CO 0.55 0.27 0.12 0.54 0.98 0.00 0.00 173.24 175.70 1ovy s VAL 33 N -0.24 3.82 0.11 5.02 0.11 -1.26 -1.73 120.40 126.22 1ovy s VAL 33 Ca 0.05 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1ovy s VAL 33 Cb -0.12 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1ovy s VAL 33 CO 0.02 -0.21 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.14 1ovy s PHE 34 N 1.40 0.98 -0.25 1.54 0.40 -1.02 -4.73 117.98 116.29 1ovy s PHE 34 Ca -0.01 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1ovy s PHE 34 Cb -0.20 -0.54 0.06 0.00 0.51 0.00 0.00 43.02 42.85 1ovy s PHE 34 CO 0.03 -0.09 -0.09 1.03 0.70 0.00 0.00 175.22 176.79 1ovy s ARG 35 N -3.73 2.08 0.28 0.44 3.00 -1.26 -1.14 118.95 118.62 1ovy s ARG 35 Ca 0.12 -1.26 -0.28 0.00 0.00 0.00 0.00 55.73 54.31 1ovy s ARG 35 Cb 0.04 -2.81 -0.09 0.00 0.00 0.00 0.00 34.95 32.08 1ovy s ARG 35 CO -0.03 -0.58 0.99 -1.12 0.00 0.00 0.00 175.30 174.56 1ovy s SER 36 N 1.18 7.41 -0.73 0.23 0.01 0.17 -4.80 113.70 117.17 1ovy s SER 36 Ca -0.08 2.01 -0.30 0.00 1.31 0.00 0.00 55.95 58.89 1ovy s SER 36 Cb -0.20 -2.61 -0.18 0.00 0.21 0.00 0.00 66.02 63.25 1ovy s SER 36 CO -0.05 -0.02 2.18 -3.20 0.41 0.00 0.00 173.24 172.56 1ovy n ASN 37 N 1.08 0.37 0.00 2.44 2.85 -1.26 0.17 115.26 120.91 1ovy n ASN 37 Ca -0.00 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 1ovy n ASN 37 Cb 0.47 -0.79 0.00 0.00 1.24 0.00 0.00 39.78 40.70 1ovy n ASN 37 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ovy n LYS 38 N 7.07 0.00 -3.82 1.20 5.02 -1.26 -4.98 118.16 121.40 1ovy n LYS 38 Ca 0.54 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.66 1ovy n LYS 38 Cb 0.01 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.83 0.18 0.33 2.13 -3.43 0.46 -4.14 115.29 108.99 1ovy s HIS 39 Ca 0.00 0.08 -0.29 0.00 -0.80 0.00 0.00 55.06 54.05 1ovy s HIS 39 Cb 0.00 -0.37 -0.11 0.00 -1.43 0.00 0.00 32.58 30.68 1ovy s HIS 39 CO 0.00 -0.13 1.41 0.42 -2.00 0.00 0.00 174.74 174.44 1ovy s ILE 40 N 1.25 2.43 -0.21 -5.38 -1.09 -1.26 0.45 121.20 117.40 1ovy s ILE 40 Ca -0.07 0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1ovy s ILE 40 Cb -0.13 -3.27 0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1ovy s ILE 40 CO -0.03 0.09 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.26 1ovy s TYR 41 N -0.88 1.97 -0.18 3.97 6.14 -0.30 -3.83 117.35 124.24 1ovy s TYR 41 Ca 0.53 -1.40 -0.18 0.00 0.64 0.00 0.00 57.07 56.66 1ovy s TYR 41 Cb -0.43 -1.42 -0.04 0.00 0.42 0.00 0.00 41.96 40.50 1ovy s TYR 41 CO 0.55 -0.70 0.49 0.00 0.64 0.00 0.00 175.55 176.52 1ovy s ALA 42 N 1.54 3.53 -0.14 3.97 0.00 -1.13 -2.43 121.76 127.10 1ovy s ALA 42 Ca -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1ovy s ALA 42 Cb -0.17 -2.74 0.04 0.00 0.00 0.00 0.00 23.12 20.24 1ovy s ALA 42 CO -0.07 -0.32 -0.02 -1.14 0.00 0.00 0.00 175.76 174.21 1ovy s GLN 43 N 1.36 1.07 -0.26 0.00 0.74 -0.70 -1.75 119.66 120.11 1ovy s GLN 43 Ca 0.23 -0.30 -0.15 0.00 0.05 0.00 0.00 55.36 55.19 1ovy s GLN 43 Cb -0.15 -1.71 -0.04 0.00 1.10 0.00 0.00 33.01 32.21 1ovy s GLN 43 CO 0.09 -0.42 0.39 0.42 -0.55 0.00 0.00 175.29 175.22 1ovy s ILE 44 N 1.78 5.17 -0.18 -2.34 1.01 -1.00 0.12 121.20 125.76 1ovy s ILE 44 Ca 0.02 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 1ovy s ILE 44 Cb -0.15 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1ovy s ILE 44 CO -0.07 0.17 -0.09 -0.51 0.00 0.00 0.00 174.94 174.43 1ovy s ILE 45 N 1.98 3.14 0.57 2.92 1.10 -1.03 -0.46 121.20 129.41 1ovy s ILE 45 Ca 0.16 -0.59 -0.18 0.00 -0.51 0.00 0.00 60.65 59.53 1ovy s ILE 45 Cb -0.16 -2.38 -0.11 0.00 0.15 0.00 0.00 42.46 39.97 1ovy s ILE 45 CO 0.09 0.47 0.26 -0.90 -2.11 0.00 0.00 174.94 172.76 1ovy n ASP 46 N 4.28 -2.10 0.00 4.50 5.68 -0.87 -1.08 116.55 126.96 1ovy n ASP 46 Ca -0.18 0.68 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 1ovy n ASP 46 Cb 0.51 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 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 1.22 0.00 -0.19 -1.12 -0.08 -1.26 -2.19 116.55 112.93 1ovy n ASP 47 Ca 0.10 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.48 1ovy n ASP 47 Cb 0.48 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.89 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 0.00 0.00 -1.18 5.18 -2.24 -1.26 -4.19 114.28 110.59 1ovy n THR 48 Ca 0.00 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1ovy n THR 48 Cb 0.00 1.04 0.22 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.94 2.30 -1.58 -0.78 4.76 -1.26 -5.09 118.16 115.57 1ovy n LYS 49 Ca 0.06 -2.94 0.01 0.00 -2.87 0.00 0.00 58.31 52.57 1ovy n LYS 49 Cb 0.38 -1.79 -0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1ovy n LYS 49 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ovy n SER 50 N -0.87 -8.51 0.00 4.39 2.88 -1.26 -4.61 113.62 105.65 1ovy n SER 50 Ca 0.25 1.88 0.00 0.00 -1.33 0.00 0.00 58.87 59.67 1ovy n SER 50 Cb 0.91 -5.12 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 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 -2.67 0.00 -1.79 -1.46 0.00 -1.25 -4.38 120.51 108.96 1ovy n ALA 51 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1ovy n ALA 51 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.92 4.36 -0.38 0.00 -1.32 -1.26 -4.41 115.64 109.71 1ovy s THR 52 Ca 0.00 1.06 0.06 0.00 -1.21 0.00 0.00 61.69 61.60 1ovy s THR 52 Cb 0.00 -3.64 0.53 0.00 -1.51 0.00 0.00 72.50 67.88 1ovy s THR 52 CO 0.00 -0.72 1.62 -0.38 -2.21 0.00 0.00 174.62 172.93 1ovy n ILE 53 N -1.93 2.85 -3.53 5.08 5.41 -1.13 -2.05 119.36 124.06 1ovy n ILE 53 Ca 0.07 -2.77 -0.04 0.00 1.00 0.00 0.00 62.75 61.01 1ovy n ILE 53 Cb 0.54 -0.56 0.02 0.00 -0.71 0.00 0.00 39.64 38.92 1ovy n ILE 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1ovy n VAL 54 N -1.06 0.00 0.00 1.39 0.24 0.39 -4.71 118.33 114.58 1ovy n VAL 54 Ca 0.45 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1ovy n VAL 54 Cb 1.12 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 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 -1.23 0.00 -3.65 -1.34 2.88 -1.23 -2.37 113.62 106.68 1ovy n SER 55 Ca -0.04 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ovy n SER 55 Cb 0.35 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.17 -2.66 0.00 -1.46 0.00 -0.72 -4.04 121.76 111.72 1ovy s ALA 56 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1ovy s ALA 56 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1ovy s ALA 56 CO 0.00 -0.29 0.00 -1.13 0.00 0.00 0.00 175.76 174.34 1ovy n SER 57 N 2.86 0.00 -0.36 0.00 3.41 -1.26 -2.83 113.62 115.43 1ovy n SER 57 Ca -0.16 -0.81 0.28 0.00 -0.26 0.00 0.00 58.87 57.92 1ovy n SER 57 Cb 0.56 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.40 0.00 6.66 1.03 -1.88 1.39 112.91 121.32 1ovy h THR 58 Ca 0.00 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1ovy h THR 58 Cb 0.00 0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 67.20 1ovy h THR 58 CO 0.00 0.05 -0.03 -0.07 -0.01 0.00 0.00 175.52 175.46 1ovy h LEU 59 N 0.26 0.00 -9.81 0.00 -0.00 -1.95 -3.44 115.31 100.37 1ovy h LEU 59 Ca 0.65 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 58.05 1ovy h LEU 59 Cb 1.90 0.00 0.22 0.00 -0.00 0.00 0.00 40.66 42.79 1ovy h LEU 59 CO -0.29 0.03 -0.70 -0.67 -0.00 0.00 0.00 178.44 176.82 1ovy n ASP 60 N -3.69 -2.03 -0.06 -0.43 -0.08 0.48 -4.99 116.55 105.74 1ovy n ASP 60 Ca -0.03 0.06 -0.04 0.00 -1.51 0.00 0.00 54.79 53.28 1ovy n ASP 60 Cb 0.12 -1.11 -0.01 0.00 2.34 0.00 0.00 41.12 42.45 1ovy n ASP 60 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ovy h LYS 61 N -1.96 0.00 -0.84 -0.67 6.56 -1.85 -3.38 116.57 114.44 1ovy h LYS 61 Ca -0.50 0.00 0.24 0.00 -1.06 0.00 0.00 60.65 59.33 1ovy h LYS 61 Cb 1.32 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 1ovy h LYS 61 CO 0.38 0.00 0.90 0.93 -2.06 0.00 0.00 179.45 179.61 1ovy h GLU 62 N -0.95 0.00 0.00 3.15 5.08 -1.96 1.28 114.58 121.18 1ovy h GLU 62 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ovy h GLU 62 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ovy h GLU 62 CO 0.00 0.00 -0.58 0.74 -1.00 0.00 0.00 179.01 178.17 1ovy h PHE 63 N 0.00 0.00 0.00 4.33 0.04 -1.86 -3.48 116.94 115.97 1ovy h PHE 63 Ca 0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 1ovy h PHE 63 Cb 2.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.35 1ovy h PHE 63 CO 0.00 0.58 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 1ovy n GLY 64 N 0.43 2.37 0.37 -1.45 0.00 0.44 -3.31 105.19 104.03 1ovy n GLY 64 Ca -0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 1ovy n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ovy n LEU 65 N 0.00 -0.84 0.00 0.99 -0.00 -1.26 -4.75 117.00 111.14 1ovy n LEU 65 Ca 0.00 1.58 0.00 0.00 -0.00 0.00 0.00 56.01 57.59 1ovy n LEU 65 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1ovy n LEU 65 CO 0.00 -1.32 0.00 -0.90 -0.00 0.00 0.00 177.39 175.17 1ovy n ASP 66 N -5.17 0.00 0.00 1.96 5.68 -1.21 -4.99 116.55 112.82 1ovy n ASP 66 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1ovy n ASP 66 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1ovy n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1ovy n SER 67 N 0.00 0.00 0.00 -1.12 7.64 -1.25 -4.56 113.62 114.34 1ovy n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ovy n SER 67 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ovy n SER 67 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ovy n THR 68 N 0.00 0.00 -3.14 0.44 5.66 -1.26 -4.41 114.28 111.56 1ovy n THR 68 Ca 0.00 0.32 -0.19 0.00 -3.05 0.00 0.00 64.05 61.13 1ovy n THR 68 Cb 0.00 -0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 68.05 1ovy n THR 68 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ovy n ASN 69 N 0.00 -1.19 0.00 1.09 0.23 -1.26 -4.13 115.26 110.00 1ovy n ASN 69 Ca 0.00 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.71 1ovy n ASN 69 Cb 0.00 -1.09 0.00 0.00 -2.08 0.00 0.00 39.78 36.61 1ovy n ASN 69 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1ovy n ASN 70 N -1.60 0.00 0.18 0.53 6.94 -1.26 -4.80 115.26 115.25 1ovy n ASN 70 Ca 0.05 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.66 1ovy n ASN 70 Cb 0.39 0.00 0.28 0.00 -2.36 0.00 0.00 39.78 38.09 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 2.92 0.00 -0.86 1.53 -0.00 -1.78 -3.08 117.51 116.24 1ovy h ILE 71 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 64.86 64.97 1ovy h ILE 71 Cb 0.00 0.23 -0.13 0.00 -0.00 0.00 0.00 36.82 36.92 1ovy h ILE 71 CO 0.00 0.00 -0.48 -0.08 -0.00 0.00 0.00 178.15 177.59 1ovy h GLU 72 N 0.00 -0.07 -0.85 0.16 4.81 -1.90 2.27 114.58 118.99 1ovy h GLU 72 Ca 0.00 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1ovy h GLU 72 Cb 0.88 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 1ovy h GLU 72 CO 0.00 -0.05 0.56 0.00 -0.73 0.00 0.00 179.01 178.79 1ovy h ALA 73 N 0.83 1.54 -0.18 2.92 0.00 -1.69 0.94 119.26 123.61 1ovy h ALA 73 Ca 0.23 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1ovy h ALA 73 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ovy h ALA 73 CO -0.88 0.35 0.13 0.00 0.00 0.00 0.00 179.25 178.85 1ovy h ALA 74 N 1.53 2.13 0.00 0.00 0.00 0.29 0.58 119.26 123.79 1ovy h ALA 74 Ca 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1ovy h ALA 74 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ovy h ALA 74 CO -0.12 -0.18 -0.12 -0.22 0.00 0.00 0.00 179.25 178.61 1ovy h LYS 75 N 0.03 0.00 0.10 0.00 3.64 0.97 1.56 116.57 122.87 1ovy h LYS 75 Ca 0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ovy h LYS 75 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ovy h LYS 75 CO -0.00 0.12 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.03 1ovy h LYS 76 N 0.00 -0.13 0.00 1.90 3.64 0.52 -3.24 116.57 119.26 1ovy h LYS 76 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1ovy h LYS 76 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1ovy h LYS 76 CO 0.02 -0.09 -0.47 0.28 -2.27 0.00 0.00 179.45 176.92 1ovy h VAL 77 N -0.48 1.20 -1.29 2.00 2.07 -1.50 -3.24 116.25 115.01 1ovy h VAL 77 Ca -0.01 -2.07 0.37 0.00 0.82 0.00 0.00 66.70 65.81 1ovy h VAL 77 Cb 0.10 2.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 1ovy h VAL 77 CO 0.02 0.41 0.89 1.23 0.02 0.00 0.00 177.57 180.14 1ovy h GLY 78 N -1.00 0.48 0.40 2.17 0.00 0.21 0.03 103.07 105.35 1ovy h GLY 78 Ca -0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1ovy h GLY 78 CO -0.07 -0.09 -0.19 -2.09 0.00 0.00 0.00 176.54 174.09 1ovy h GLU 79 N 0.10 -0.52 -0.07 4.80 4.57 -1.32 0.45 114.58 122.60 1ovy h GLU 79 Ca 0.67 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.92 1ovy h GLU 79 Cb 2.36 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 31.01 1ovy h GLU 79 CO -0.14 -0.35 -0.37 -0.07 -1.18 0.00 0.00 179.01 176.91 1ovy h LEU 80 N -0.95 -1.13 -2.61 1.64 3.38 -1.33 0.36 115.31 114.67 1ovy h LEU 80 Ca -0.05 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ovy h LEU 80 Cb 0.41 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ovy h LEU 80 CO 0.09 -0.41 -0.01 1.62 0.09 0.00 0.00 178.44 179.82 1ovy h VAL 81 N -0.48 0.26 0.52 1.22 3.04 -1.14 -3.02 116.25 116.64 1ovy h VAL 81 Ca 0.07 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.65 1ovy h VAL 81 Cb 0.60 1.06 0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1ovy h VAL 81 CO -0.34 0.01 -0.25 0.00 -1.01 0.00 0.00 177.57 175.99 1ovy h ALA 82 N 1.99 -0.75 -0.69 3.17 0.00 0.40 0.47 119.26 123.85 1ovy h ALA 82 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ovy h ALA 82 Cb 0.06 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 1ovy h ALA 82 CO 0.00 -0.70 -0.48 0.87 0.00 0.00 0.00 179.25 178.94 1ovy h LYS 83 N -1.10 -0.18 0.02 0.00 1.57 -1.17 0.54 116.57 116.25 1ovy h LYS 83 Ca -0.07 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1ovy h LYS 83 Cb 0.54 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1ovy h LYS 83 CO 0.12 -0.12 -0.64 0.07 -0.57 0.00 0.00 179.45 178.31 1ovy h ARG 84 N -0.18 0.04 0.00 3.15 0.11 -1.68 -3.38 114.38 112.43 1ovy h ARG 84 Ca 0.18 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1ovy h ARG 84 Cb 0.54 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1ovy h ARG 84 CO -0.76 1.03 0.00 0.00 0.10 0.00 0.00 179.97 180.34 1ovy n ALA 85 N -2.95 1.99 -0.07 0.08 0.00 0.15 -1.57 120.51 118.13 1ovy n ALA 85 Ca -0.20 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1ovy n ALA 85 Cb 0.61 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1ovy n ALA 85 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ovy h LEU 86 N 0.00 -0.57 0.00 0.00 4.07 0.16 -2.60 115.31 116.37 1ovy h LEU 86 Ca 0.00 0.08 -0.17 0.00 0.08 0.00 0.00 57.88 57.87 1ovy h LEU 86 Cb 0.52 0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 1ovy h LEU 86 CO 0.00 -0.10 -1.59 -1.84 -1.08 0.00 0.00 178.44 173.83 1ovy n GLU 87 N -3.54 0.63 0.00 1.13 -0.00 -0.71 -4.56 120.64 113.59 1ovy n GLU 87 Ca -0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 1ovy n GLU 87 Cb 0.09 -1.74 0.00 0.00 -0.00 0.00 0.00 31.44 29.79 1ovy n GLU 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ovy n LYS 88 N -2.80 0.00 -0.08 3.44 0.00 -0.61 -3.75 118.16 114.36 1ovy n LYS 88 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.13 1ovy n LYS 88 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.87 1ovy n LYS 88 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1ovy h GLY 89 N 0.00 0.25 0.00 3.14 0.00 -1.76 -3.43 103.07 101.26 1ovy h GLY 89 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ovy h GLY 89 CO 0.00 -0.10 0.00 4.51 0.00 0.00 0.00 176.54 180.95 1ovy n ILE 90 N -5.23 0.00 -2.29 2.60 0.00 -1.26 -5.11 119.36 108.07 1ovy n ILE 90 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 62.75 62.49 1ovy n ILE 90 Cb 0.17 0.00 0.11 0.00 0.00 0.00 0.00 39.64 39.92 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 1.61 0.72 9.51 1.02 -1.26 -4.85 119.74 126.48 1ovy s LYS 91 Ca 0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 1ovy s LYS 91 Cb 0.00 -2.16 0.14 0.00 -0.52 0.00 0.00 37.83 35.30 1ovy s LYS 91 CO 0.00 -1.60 0.98 1.04 -0.92 0.00 0.00 175.35 174.85 1ovy n GLN 92 N -3.09 -0.15 -3.88 1.68 3.00 -1.16 -1.73 117.38 112.06 1ovy n GLN 92 Ca 0.12 -2.60 -0.26 0.00 -0.01 0.00 0.00 57.00 54.26 1ovy n GLN 92 Cb 0.60 -0.68 -0.01 0.00 0.00 0.00 0.00 30.24 30.16 1ovy n GLN 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1ovy s VAL 93 N -3.02 1.71 -0.24 5.09 -7.23 -1.26 -3.96 120.40 111.50 1ovy s VAL 93 Ca 0.64 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1ovy s VAL 93 Cb -0.04 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 34.76 1ovy s VAL 93 CO 0.43 0.00 -0.08 0.68 -0.31 0.00 0.00 175.10 175.82 1ovy s VAL 94 N -2.75 1.75 0.09 1.32 -7.23 -1.26 -4.26 120.40 108.05 1ovy s VAL 94 Ca 0.35 -1.32 -0.36 0.00 -1.81 0.00 0.00 61.98 58.84 1ovy s VAL 94 Cb -0.02 -1.93 -0.15 0.00 0.56 0.00 0.00 36.38 34.83 1ovy s VAL 94 CO 0.21 -0.04 1.47 0.49 -0.31 0.00 0.00 175.10 176.93 1ovy n PHE 95 N 4.60 1.87 0.00 2.82 3.01 -1.26 -3.93 117.46 124.57 1ovy n PHE 95 Ca -0.13 0.46 0.00 0.00 1.01 0.00 0.00 57.45 58.79 1ovy n PHE 95 Cb 0.44 -2.43 0.00 0.00 -0.01 0.00 0.00 39.48 37.47 1ovy n PHE 95 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ovy n ASP 96 N 3.16 -0.97 -0.33 4.37 -0.08 -0.98 -4.76 116.55 116.96 1ovy n ASP 96 Ca 0.18 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.51 1ovy n ASP 96 Cb 0.23 0.00 0.13 0.00 2.34 0.00 0.00 41.12 43.82 1ovy n ASP 96 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1ovy h ARG 97 N 0.00 0.00 0.00 -0.67 2.43 -1.92 -3.39 114.38 110.83 1ovy h ARG 97 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ovy h ARG 97 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ovy h ARG 97 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1ovy n GLY 98 N -1.58 -3.28 0.90 2.80 0.00 -1.26 -4.85 105.19 97.90 1ovy n GLY 98 Ca 0.15 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.18 0.00 -0.02 0.00 -1.26 -4.98 105.19 97.74 1ovy n GLY 99 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.83 0.00 -0.30 1.61 4.11 -1.26 -4.95 117.16 113.54 1ovy n TYR 100 Ca 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 57.90 58.25 1ovy n TYR 100 Cb 0.60 0.00 0.73 0.00 -0.00 0.00 0.00 39.34 40.67 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 5.85 -2.01 -3.47 115.31 112.20 1ovy h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ovy h LEU 101 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ovy h LEU 101 CO 0.00 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.88 1ovy n TYR 102 N -4.00 0.00 0.00 1.25 4.01 -1.26 -5.03 117.16 112.13 1ovy n TYR 102 Ca 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1ovy n TYR 102 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.30 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 0.54 0.00 0.00 -0.72 -0.00 -1.26 -5.06 115.22 108.72 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 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -1.44 0.28 0.07 1.57 0.00 -1.26 -5.01 105.19 99.39 1ovy n GLY 104 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 0.42 0.23 1.61 1.74 -1.26 -4.54 116.66 114.85 1ovy n ARG 105 Ca 0.00 0.44 0.15 0.00 -0.77 0.00 0.00 57.85 57.66 1ovy n ARG 105 Cb 0.00 -1.55 0.47 0.00 -1.02 0.00 0.00 32.46 30.36 1ovy n ARG 105 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1ovy h VAL 106 N -0.90 0.00 -1.24 1.55 3.04 -1.96 -3.32 116.25 113.42 1ovy h VAL 106 Ca 0.00 -0.64 0.36 0.00 -1.01 0.00 0.00 66.70 65.41 1ovy h VAL 106 Cb 0.54 1.61 -0.05 0.00 -2.01 0.00 0.00 31.29 31.38 1ovy h VAL 106 CO 0.00 0.00 1.15 0.07 -1.01 0.00 0.00 177.57 177.78 1ovy h LYS 107 N 0.00 0.00 0.62 4.17 5.09 -1.95 -2.66 116.57 121.84 1ovy h LYS 107 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.71 1ovy h LYS 107 Cb 0.68 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.01 1ovy h LYS 107 CO 0.00 0.00 -0.35 0.00 -2.09 0.00 0.00 179.45 177.01 1ovy h ALA 108 N 0.86 -1.20 -0.88 0.07 0.00 -1.88 1.92 119.26 118.15 1ovy h ALA 108 Ca 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ovy h ALA 108 Cb 2.88 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 21.07 1ovy h ALA 108 CO -0.01 -1.15 0.51 1.25 0.00 0.00 0.00 179.25 179.85 1ovy h LEU 109 N -0.89 1.08 -1.62 0.00 7.12 -1.76 0.56 115.31 119.80 1ovy h LEU 109 Ca -0.08 -0.08 -0.04 0.00 0.13 0.00 0.00 57.88 57.80 1ovy h LEU 109 Cb 0.70 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1ovy h LEU 109 CO 0.10 0.85 -0.21 0.00 -0.13 0.00 0.00 178.44 179.06 1ovy h ALA 110 N 1.28 1.34 0.04 1.25 0.00 -1.47 -1.72 119.26 119.98 1ovy h ALA 110 Ca 0.31 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 1ovy h ALA 110 Cb -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ovy h ALA 110 CO -0.06 0.26 -1.07 0.22 0.00 0.00 0.00 179.25 178.60 1ovy h ASP 111 N 0.00 0.74 -0.57 0.00 3.58 0.55 -0.27 116.42 120.45 1ovy h ASP 111 Ca -0.00 -0.63 0.04 0.00 0.42 0.00 0.00 57.03 56.87 1ovy h ASP 111 Cb 0.46 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 1ovy h ASP 111 CO 0.03 1.43 0.32 0.00 -2.88 0.00 0.00 179.24 178.14 1ovy h ALA 112 N 0.51 0.75 -0.12 -0.78 0.00 0.84 1.33 119.26 121.79 1ovy h ALA 112 Ca -0.13 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1ovy h ALA 112 Cb 1.73 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1ovy h ALA 112 CO 0.20 -0.00 -0.61 0.00 0.00 0.00 0.00 179.25 178.83 1ovy h ALA 113 N 1.29 0.24 0.64 0.00 0.00 -1.38 -2.50 119.26 117.55 1ovy h ALA 113 Ca 0.25 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ovy h ALA 113 Cb 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ovy h ALA 113 CO -0.15 0.50 -0.31 -0.09 0.00 0.00 0.00 179.25 179.21 1ovy h ARG 114 N 0.29 -0.83 -0.90 0.00 2.43 -0.56 -1.90 114.38 112.92 1ovy h ARG 114 Ca -0.04 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.43 1ovy h ARG 114 Cb 1.25 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.95 1ovy h ARG 114 CO 0.13 -0.55 0.63 1.49 -1.51 0.00 0.00 179.97 180.16 1ovy h GLU 115 N -1.22 0.09 0.00 0.20 4.81 0.16 1.39 114.58 120.01 1ovy h GLU 115 Ca -0.09 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1ovy h GLU 115 Cb 0.66 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1ovy h GLU 115 CO 0.14 0.06 -0.34 0.00 -0.73 0.00 0.00 179.01 178.14 1ovy h ALA 116 N 1.57 0.99 0.00 2.92 0.00 -1.30 -3.46 119.26 119.98 1ovy h ALA 116 Ca 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ovy h ALA 116 Cb 1.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1ovy h ALA 116 CO -0.05 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1ovy n GLY 117 N 0.24 0.61 3.55 0.00 0.00 0.47 -5.02 105.19 105.03 1ovy n GLY 117 Ca -0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.13 0.99 1.98 -0.57 -3.98 118.68 120.24 1ovy s LEU 118 Ca 0.00 0.11 -0.04 0.00 -2.89 0.00 0.00 54.13 51.31 1ovy s LEU 118 Cb 0.00 -2.54 0.05 0.00 0.66 0.00 0.00 46.19 44.36 1ovy s LEU 118 CO 0.00 -2.42 0.08 -0.70 -1.89 0.00 0.00 176.35 171.42 1ovy s GLU 119 N 6.98 0.05 0.00 1.98 2.12 -1.26 -5.01 118.70 123.55 1ovy s GLU 119 Ca 0.66 0.04 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1ovy s GLU 119 Cb -0.11 -1.45 0.00 0.00 0.26 0.00 0.00 34.13 32.83 1ovy s GLU 119 CO 0.16 -0.57 0.00 0.34 -0.54 0.00 0.00 175.26 174.66