#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5r n SER 2 N 0.00 -1.14 -4.67 1.61 7.64 -1.26 -4.88 113.62 110.93 1v5r n SER 2 Ca 0.00 -1.12 -0.35 0.00 1.01 0.00 0.00 58.87 58.42 1v5r n SER 2 Cb 0.00 -1.42 -0.09 0.00 -1.01 0.00 0.00 64.21 61.69 1v5r n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v5r s SER 3 N -3.24 5.82 0.00 6.43 0.01 -1.26 -4.62 113.70 116.83 1v5r s SER 3 Ca 0.60 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1v5r s SER 3 Cb -0.35 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1v5r s SER 3 CO 0.91 0.19 0.00 0.61 0.41 0.00 0.00 173.24 175.36 1v5r n GLY 4 N 3.45 0.85 2.48 3.44 0.00 -1.26 -5.06 105.19 109.11 1v5r n GLY 4 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1v5r n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5r n SER 5 N 0.00 3.05 -4.22 1.61 3.41 -1.26 -4.98 113.62 111.23 1v5r n SER 5 Ca 0.00 -2.82 -0.41 0.00 -0.26 0.00 0.00 58.87 55.38 1v5r n SER 5 Cb 0.00 -0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 1v5r n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v5r s SER 6 N -3.68 6.47 -0.38 4.04 0.01 -1.26 -4.89 113.70 114.00 1v5r s SER 6 Ca 0.38 -3.39 -0.01 0.00 1.31 0.00 0.00 55.95 54.24 1v5r s SER 6 Cb 0.37 -2.05 0.19 0.00 0.21 0.00 0.00 66.02 64.73 1v5r s SER 6 CO -0.01 -0.31 0.87 -0.83 0.41 0.00 0.00 173.24 173.38 1v5r s GLY 7 N 0.85 -1.47 -0.17 3.44 0.00 -1.26 -5.16 107.32 103.55 1v5r s GLY 7 Ca 0.25 0.59 -0.28 0.00 0.00 0.00 0.00 44.72 45.28 1v5r s GLY 7 CO -0.09 4.01 0.77 0.21 0.00 0.00 0.00 173.10 178.00 1v5r s ASN 8 N 1.62 -0.64 0.05 1.64 3.84 -1.26 -5.05 114.94 115.14 1v5r s ASN 8 Ca 0.19 0.96 -0.05 0.00 0.21 0.00 0.00 52.86 54.17 1v5r s ASN 8 Cb 0.02 0.88 -0.29 0.00 -0.55 0.00 0.00 41.25 41.31 1v5r s ASN 8 CO -0.10 -0.40 1.03 -0.07 -2.79 0.00 0.00 177.10 174.77 1v5r h LEU 9 N 3.79 0.45 0.62 3.21 4.07 -2.00 -3.29 115.31 122.17 1v5r h LEU 9 Ca -0.27 -0.53 -0.02 0.00 0.08 0.00 0.00 57.88 57.14 1v5r h LEU 9 Cb 1.15 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1v5r h LEU 9 CO 0.23 1.42 -0.45 0.25 -1.08 0.00 0.00 178.44 178.81 1v5r h LEU 10 N 0.08 -1.18 -1.00 1.67 5.85 -1.97 0.73 115.31 119.49 1v5r h LEU 10 Ca -0.18 0.08 0.23 0.00 0.84 0.00 0.00 57.88 58.85 1v5r h LEU 10 Cb 2.01 0.37 -0.12 0.00 0.37 0.00 0.00 40.66 43.28 1v5r h LEU 10 CO 0.20 -0.66 0.58 0.44 -0.34 0.00 0.00 178.44 178.66 1v5r h ASP 11 N -1.03 0.68 -0.43 1.25 5.19 -1.99 0.46 116.42 120.55 1v5r h ASP 11 Ca -0.08 0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 1v5r h ASP 11 Cb 0.86 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1v5r h ASP 11 CO 0.03 0.14 -0.15 -0.78 -3.12 0.00 0.00 179.24 175.36 1v5r h ASP 12 N 0.61 0.87 0.69 6.45 1.82 -1.50 -1.89 116.42 123.47 1v5r h ASP 12 Ca 0.62 -0.38 -0.09 0.00 -0.39 0.00 0.00 57.03 56.79 1v5r h ASP 12 Cb 1.14 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1v5r h ASP 12 CO -0.46 1.05 -0.44 0.00 -1.61 0.00 0.00 179.24 177.78 1v5r h ALA 13 N 0.85 1.05 0.00 -0.78 0.00 0.16 -1.45 119.26 119.08 1v5r h ALA 13 Ca 0.10 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 1v5r h ALA 13 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1v5r h ALA 13 CO 0.05 0.55 -0.82 0.28 0.00 0.00 0.00 179.25 179.32 1v5r h VAL 14 N 0.00 1.57 0.22 0.00 2.07 -0.04 -2.61 116.25 117.47 1v5r h VAL 14 Ca -0.00 -2.76 -0.32 0.00 0.82 0.00 0.00 66.70 64.44 1v5r h VAL 14 Cb 0.91 2.49 0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1v5r h VAL 14 CO 0.06 0.79 -1.48 0.50 0.02 0.00 0.00 177.57 177.46 1v5r h LYS 15 N 0.01 0.47 0.17 1.57 3.64 -1.18 -3.07 116.57 118.18 1v5r h LYS 15 Ca -0.01 -0.80 -0.01 0.00 -1.27 0.00 0.00 60.65 58.56 1v5r h LYS 15 Cb 1.44 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1v5r h LYS 15 CO 0.11 1.38 -0.08 0.07 -2.27 0.00 0.00 179.45 178.66 1v5r h ARG 16 N 0.05 -0.21 -0.80 1.90 0.11 -1.34 0.50 114.38 114.60 1v5r h ARG 16 Ca -0.27 0.01 0.05 0.00 0.10 0.00 0.00 59.98 59.87 1v5r h ARG 16 Cb 2.08 0.05 -0.05 0.00 1.11 0.00 0.00 29.97 33.16 1v5r h ARG 16 CO 0.23 -0.02 0.53 0.82 0.10 0.00 0.00 179.97 181.63 1v5r h ILE 17 N -0.38 1.08 0.00 0.08 2.04 -1.61 0.19 117.51 118.90 1v5r h ILE 17 Ca -0.02 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1v5r h ILE 17 Cb 0.29 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1v5r h ILE 17 CO 0.04 0.17 -0.14 0.77 0.00 0.00 0.00 178.15 178.99 1v5r h SER 18 N 0.92 0.00 -0.32 1.72 4.64 -1.41 -3.12 113.55 115.99 1v5r h SER 18 Ca 0.33 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.53 1v5r h SER 18 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 1v5r h SER 18 CO -0.11 0.14 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.33 1v5r n GLU 19 N -3.18 2.16 -3.15 4.77 1.02 0.15 -4.45 120.64 117.95 1v5r n GLU 19 Ca 0.02 -3.05 0.05 0.00 -0.02 0.00 0.00 57.16 54.17 1v5r n GLU 19 Cb 0.50 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 1v5r n GLU 19 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1v5r s ASP 20 N -2.35 -0.53 0.44 1.62 2.15 0.47 -3.82 116.67 114.66 1v5r s ASP 20 Ca 0.43 0.19 -0.23 0.00 0.43 0.00 0.00 52.55 53.37 1v5r s ASP 20 Cb 0.38 1.38 -0.08 0.00 -0.30 0.00 0.00 42.92 44.31 1v5r s ASP 20 CO 0.03 -0.10 1.17 -2.16 -0.17 0.00 0.00 175.17 173.94 1v5r s PRO 21 N 2.95 3.83 0.07 4.34 0.04 -1.26 -4.47 135.00 140.50 1v5r s PRO 21 Ca 0.13 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 1v5r s PRO 21 Cb -0.07 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1v5r s PRO 21 CO -0.17 -0.50 1.39 -1.25 0.04 0.00 0.00 177.00 176.51 1v5r s PRO 22 N -2.60 4.31 -0.64 0.56 0.04 -1.25 -4.88 135.00 130.55 1v5r s PRO 22 Ca 0.62 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.37 1v5r s PRO 22 Cb -0.29 -3.37 -0.15 0.00 0.04 0.00 0.00 34.50 30.73 1v5r s PRO 22 CO 0.36 -0.48 2.44 0.00 0.04 0.00 0.00 177.00 179.36 1v5r h LYS 24 N 14.11 0.94 -6.45 0.00 1.79 -1.91 -3.44 116.57 121.62 1v5r h LYS 24 Ca -0.17 -0.15 -0.57 0.00 -2.18 0.00 0.00 60.65 57.58 1v5r h LYS 24 Cb 1.31 -0.16 0.19 0.00 -1.58 0.00 0.00 32.23 31.98 1v5r h LYS 24 CO 1.20 0.77 -0.68 0.00 -1.08 0.00 0.00 179.45 179.66 1v5r n PRO 26 N 0.10 0.48 -3.72 0.00 -0.04 -1.26 -4.18 135.00 126.39 1v5r n PRO 26 Ca 0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.25 1v5r n PRO 26 Cb 0.50 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 1v5r n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1v5r s THR 27 N -2.00 1.36 -0.20 0.52 2.01 -1.26 -5.09 115.64 110.98 1v5r s THR 27 Ca 0.15 -2.45 -0.32 0.00 0.31 0.00 0.00 61.69 59.38 1v5r s THR 27 Cb 0.07 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.53 1v5r s THR 27 CO 0.11 -0.87 2.10 1.17 -0.69 0.00 0.00 174.62 176.44 1v5r n LYS 28 N 3.66 1.85 -0.91 4.92 0.00 -1.26 -4.86 118.16 121.56 1v5r n LYS 28 Ca 0.08 0.58 -0.30 0.00 0.00 0.00 0.00 58.31 58.67 1v5r n LYS 28 Cb 0.35 -2.84 0.02 0.00 0.00 0.00 0.00 35.03 32.55 1v5r n LYS 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1v5r n PHE 29 N 9.49 -2.83 -2.92 5.64 -0.00 -1.26 -4.81 117.46 120.77 1v5r n PHE 29 Ca 0.30 0.23 -0.43 0.00 -0.00 0.00 0.00 57.45 57.55 1v5r n PHE 29 Cb 0.34 -1.25 -0.05 0.00 -0.00 0.00 0.00 39.48 38.53 1v5r n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1v5r s VAL 31 N 3.52 0.14 0.01 0.00 1.01 -1.20 -2.75 120.40 121.12 1v5r s VAL 31 Ca 0.30 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1v5r s VAL 31 Cb -0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1v5r s VAL 31 CO 0.21 -0.45 -0.07 -0.70 0.00 0.00 0.00 175.10 174.10 1v5r s GLU 32 N 2.02 0.55 -0.12 2.72 2.12 -1.18 -4.93 118.70 119.88 1v5r s GLU 32 Ca 0.04 -0.39 -0.20 0.00 0.36 0.00 0.00 54.97 54.79 1v5r s GLU 32 Cb -0.16 -0.49 -0.04 0.00 0.26 0.00 0.00 34.13 33.70 1v5r s GLU 32 CO -0.19 0.12 0.55 0.50 -0.54 0.00 0.00 175.26 175.70 1v5r s ARG 33 N -0.56 4.34 -0.22 4.30 3.52 -1.26 -0.06 118.95 129.00 1v5r s ARG 33 Ca -0.00 0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 56.08 1v5r s ARG 33 Cb -0.05 -3.46 -0.11 0.00 -1.56 0.00 0.00 34.95 29.77 1v5r s ARG 33 CO 0.00 0.07 -0.26 1.28 -0.81 0.00 0.00 175.30 175.58 1v5r n LEU 34 N 3.94 2.03 -3.88 -0.88 4.77 -0.50 -4.98 117.00 117.50 1v5r n LEU 34 Ca -0.05 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1v5r n LEU 34 Cb 0.51 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1v5r n LEU 34 CO 0.44 0.59 0.28 -0.55 -1.33 0.00 0.00 177.39 176.82 1v5r s SER 35 N -6.76 -0.19 -0.82 -1.43 0.15 -1.19 -5.02 113.70 98.45 1v5r s SER 35 Ca -0.31 -0.70 -0.22 0.00 0.70 0.00 0.00 55.95 55.42 1v5r s SER 35 Cb 0.11 0.62 -0.18 0.00 -1.71 0.00 0.00 66.02 64.85 1v5r s SER 35 CO 0.43 -1.16 2.37 0.00 1.20 0.00 0.00 173.24 176.08 1v5r n GLN 36 N -0.38 0.46 0.00 5.44 6.02 -1.26 -0.71 117.38 126.95 1v5r n GLN 36 Ca -0.05 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 1v5r n GLN 36 Cb 0.61 -3.04 0.00 0.00 1.02 0.00 0.00 30.24 28.83 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1v5r n GLY 37 N 6.46 1.51 3.61 1.08 0.00 -1.26 -5.08 105.19 111.51 1v5r n GLY 37 Ca 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 1v5r n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v5r s ARG 38 N -0.37 0.65 0.01 1.61 3.52 0.12 -3.70 118.95 120.78 1v5r s ARG 38 Ca 0.00 1.26 -0.06 0.00 -0.13 0.00 0.00 55.73 56.79 1v5r s ARG 38 Cb 0.00 0.32 -0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1v5r s ARG 38 CO 0.00 -0.17 0.11 0.71 -0.81 0.00 0.00 175.30 175.15 1v5r s TYR 39 N 1.97 0.09 -0.40 5.12 1.51 -1.07 -1.41 117.35 123.16 1v5r s TYR 39 Ca -0.09 -0.24 -0.24 0.00 -1.01 0.00 0.00 57.07 55.50 1v5r s TYR 39 Cb -0.07 -0.08 0.02 0.00 -0.11 0.00 0.00 41.96 41.72 1v5r s TYR 39 CO -0.19 -0.29 0.81 0.50 -1.11 0.00 0.00 175.55 175.27 1v5r s ARG 40 N -1.57 3.64 -0.33 -0.62 3.52 0.91 -2.72 118.95 121.77 1v5r s ARG 40 Ca -0.14 0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.66 1v5r s ARG 40 Cb -0.07 -3.86 0.08 0.00 -1.56 0.00 0.00 34.95 29.54 1v5r s ARG 40 CO 0.00 -0.98 0.05 0.08 -0.81 0.00 0.00 175.30 173.64 1v5r s VAL 41 N 3.27 2.81 -1.13 7.11 1.01 0.53 -3.10 120.40 130.90 1v5r s VAL 41 Ca 0.32 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 1v5r s VAL 41 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1v5r s VAL 41 CO 0.20 -0.35 0.87 0.61 0.00 0.00 0.00 175.10 176.43 1v5r n GLY 42 N 4.51 -0.87 3.61 4.51 0.00 -1.11 -2.35 105.19 113.49 1v5r n GLY 42 Ca -0.07 0.41 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 1v5r n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v5r n GLU 43 N -3.73 -6.34 -3.92 1.61 -0.58 -1.26 -4.98 120.64 101.45 1v5r n GLU 43 Ca -0.15 0.73 -0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1v5r n GLU 43 Cb 0.63 -5.68 -0.10 0.00 -0.57 0.00 0.00 31.44 25.72 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1v5r s LYS 44 N -6.32 0.50 -0.41 3.49 1.02 -0.99 -5.13 119.74 111.90 1v5r s LYS 44 Ca 0.56 -0.61 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 1v5r s LYS 44 Cb -0.27 0.20 0.08 0.00 -0.52 0.00 0.00 37.83 37.32 1v5r s LYS 44 CO 0.70 -0.12 0.25 0.42 -0.92 0.00 0.00 175.35 175.68 1v5r s ILE 45 N -1.98 4.15 0.11 2.17 -1.09 -1.26 -0.35 121.20 122.96 1v5r s ILE 45 Ca -0.10 -1.43 0.08 0.00 -2.23 0.00 0.00 60.65 56.96 1v5r s ILE 45 Cb -0.05 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1v5r s ILE 45 CO -0.02 -0.50 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.31 1v5r s LEU 46 N 1.41 2.97 -0.52 2.97 1.43 -1.10 -5.00 118.68 120.83 1v5r s LEU 46 Ca 0.03 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 1v5r s LEU 46 Cb -0.23 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.33 1v5r s LEU 46 CO 0.02 0.17 0.49 -0.36 0.23 0.00 0.00 176.35 176.90 1v5r s PHE 47 N -1.25 3.21 -0.21 0.29 0.40 -1.26 -2.59 117.98 116.58 1v5r s PHE 47 Ca 0.21 -1.08 -0.17 0.00 -0.60 0.00 0.00 56.93 55.29 1v5r s PHE 47 Cb -0.11 -3.57 -0.04 0.00 0.51 0.00 0.00 43.02 39.81 1v5r s PHE 47 CO 0.13 -0.96 0.45 0.42 0.70 0.00 0.00 175.22 175.96 1v5r s ILE 48 N 1.78 5.15 0.45 0.64 1.01 -1.24 -0.85 121.20 128.14 1v5r s ILE 48 Ca 0.05 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.57 1v5r s ILE 48 Cb -0.27 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1v5r s ILE 48 CO 0.05 0.20 0.26 -0.13 0.00 0.00 0.00 174.94 175.33 1v5r s ARG 49 N 1.58 2.29 -0.23 2.79 0.52 0.12 -4.47 118.95 121.56 1v5r s ARG 49 Ca 0.21 -1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 53.55 1v5r s ARG 49 Cb -0.15 -2.06 0.06 0.00 0.52 0.00 0.00 34.95 33.32 1v5r s ARG 49 CO 0.09 -0.27 -0.00 1.41 0.02 0.00 0.00 175.30 176.54 1v5r s MET 50 N -4.04 1.15 -0.23 3.54 1.75 -1.26 -1.62 119.30 118.60 1v5r s MET 50 Ca 0.39 -0.78 -0.29 0.00 -1.25 0.00 0.00 55.69 53.76 1v5r s MET 50 Cb 0.01 -2.36 -0.02 0.00 2.84 0.00 0.00 34.83 35.30 1v5r s MET 50 CO 0.22 -0.65 1.55 -0.51 -0.65 0.00 0.00 175.02 174.98 1v5r s LEU 51 N 1.59 3.91 -0.73 4.11 1.43 0.13 -3.15 118.68 125.98 1v5r s LEU 51 Ca -0.02 1.56 -0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1v5r s LEU 51 Cb -0.18 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1v5r s LEU 51 CO -0.08 -1.20 0.01 1.41 0.23 0.00 0.00 176.35 176.71 1v5r n HIS 52 N 8.20 -1.60 -3.23 0.29 8.25 -1.26 0.17 115.22 126.03 1v5r n HIS 52 Ca 0.18 0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.42 1v5r n HIS 52 Cb 0.45 -2.20 0.01 0.00 1.12 0.00 0.00 29.99 29.37 1v5r n HIS 52 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1v5r n ASN 53 N -1.72 -4.58 0.00 0.41 3.02 -1.19 -4.78 115.26 106.43 1v5r n ASN 53 Ca -0.10 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 1v5r n ASN 53 Cb 0.57 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1v5r n LYS 54 N -3.84 0.00 -4.54 3.52 4.81 0.13 -5.06 118.16 113.18 1v5r n LYS 54 Ca -0.05 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.08 1v5r n LYS 54 Cb 0.57 -0.69 -0.12 0.00 0.02 0.00 0.00 35.03 34.82 1v5r n LYS 54 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1v5r s HIS 55 N -1.69 2.67 -0.35 5.64 0.09 -0.91 -4.95 115.29 115.79 1v5r s HIS 55 Ca 0.00 -0.19 -0.04 0.00 -0.00 0.00 0.00 55.06 54.83 1v5r s HIS 55 Cb 0.00 -1.49 0.07 0.00 -0.00 0.00 0.00 32.58 31.15 1v5r s HIS 55 CO 0.00 0.31 0.11 0.08 -0.00 0.00 0.00 174.74 175.24 1v5r s VAL 56 N -0.99 3.39 0.35 -0.90 1.01 -1.26 0.20 120.40 122.21 1v5r s VAL 56 Ca 0.16 -1.51 0.08 0.00 0.00 0.00 0.00 61.98 60.71 1v5r s VAL 56 Cb -0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1v5r s VAL 56 CO 0.07 -0.33 0.14 -0.04 0.00 0.00 0.00 175.10 174.94 1v5r s MET 57 N 1.28 2.32 0.22 2.72 -1.94 -0.64 -1.34 119.30 121.91 1v5r s MET 57 Ca 0.00 -1.62 0.08 0.00 -1.71 0.00 0.00 55.69 52.44 1v5r s MET 57 Cb -0.21 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 1v5r s MET 57 CO -0.01 0.07 -0.13 0.14 -0.01 0.00 0.00 175.02 175.08 1v5r s VAL 58 N -2.46 1.74 -0.41 -6.03 -7.23 -0.52 0.13 120.40 105.62 1v5r s VAL 58 Ca 0.38 -2.21 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 1v5r s VAL 58 Cb -0.01 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1v5r s VAL 58 CO 0.22 -0.56 0.32 -0.60 -0.31 0.00 0.00 175.10 174.17 1v5r s ARG 59 N -3.65 3.02 -0.65 4.82 6.06 -0.03 -3.28 118.95 125.23 1v5r s ARG 59 Ca 0.24 -0.96 0.05 0.00 -2.50 0.00 0.00 55.73 52.55 1v5r s ARG 59 Cb -0.00 -3.97 0.17 0.00 0.06 0.00 0.00 34.95 31.20 1v5r s ARG 59 CO 0.08 -0.75 0.45 0.14 -2.50 0.00 0.00 175.30 172.72 1v5r s VAL 60 N 1.75 2.53 0.00 7.11 -7.23 -0.87 -4.35 120.40 119.34 1v5r s VAL 60 Ca 0.06 -3.97 0.00 0.00 -1.81 0.00 0.00 61.98 56.26 1v5r s VAL 60 Cb -0.19 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1v5r s VAL 60 CO 0.11 -1.01 0.00 0.61 -0.31 0.00 0.00 175.10 174.49 1v5r n GLY 61 N 2.21 1.56 2.48 2.32 0.00 -1.26 -3.26 105.19 109.24 1v5r n GLY 61 Ca 0.19 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 1v5r n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5r n GLY 62 N 0.00 4.14 3.55 -0.02 0.00 -1.26 -5.06 105.19 106.54 1v5r n GLY 62 Ca 0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 1v5r n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v5r s GLY 63 N -3.52 -0.35 -0.13 -0.02 0.00 -1.20 -5.16 107.32 96.94 1v5r s GLY 63 Ca 0.39 1.60 0.02 0.00 0.00 0.00 0.00 44.72 46.73 1v5r s GLY 63 CO -0.04 0.74 -0.18 -0.98 0.00 0.00 0.00 173.10 172.64 1v5r s TRP 64 N -1.93 2.71 0.36 1.90 0.52 -1.26 -2.04 118.94 119.20 1v5r s TRP 64 Ca 0.01 -0.97 0.05 0.00 0.02 0.00 0.00 56.10 55.20 1v5r s TRP 64 Cb -0.01 -1.81 -0.07 0.00 -1.15 0.00 0.00 33.47 30.44 1v5r s TRP 64 CO -0.02 -0.40 0.04 -1.83 0.02 0.00 0.00 176.95 174.76 1v5r s GLU 65 N 0.54 1.78 -0.23 4.98 -1.05 -1.21 -4.90 118.70 118.61 1v5r s GLU 65 Ca -0.11 -2.00 -0.29 0.00 -0.15 0.00 0.00 54.97 52.41 1v5r s GLU 65 Cb -0.16 -1.13 -0.01 0.00 -0.44 0.00 0.00 34.13 32.39 1v5r s GLU 65 CO 0.04 -0.16 1.32 0.95 0.95 0.00 0.00 175.26 178.36 1v5r s THR 66 N -3.09 4.15 0.14 1.83 -4.23 -1.26 -1.44 115.64 111.74 1v5r s THR 66 Ca 0.35 1.34 -0.28 0.00 -1.18 0.00 0.00 61.69 61.92 1v5r s THR 66 Cb 0.09 -4.04 -0.06 0.00 1.34 0.00 0.00 72.50 69.83 1v5r s THR 66 CO 0.16 -0.31 1.42 0.33 -0.54 0.00 0.00 174.62 175.68 1v5r n PHE 67 N 7.28 -0.39 -0.20 3.99 7.35 -0.45 -0.35 117.46 134.69 1v5r n PHE 67 Ca 0.15 1.11 -0.05 0.00 -0.76 0.00 0.00 57.45 57.90 1v5r n PHE 67 Cb 0.46 -0.57 0.01 0.00 0.35 0.00 0.00 39.48 39.73 1v5r n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1v5r h ALA 68 N 0.39 -0.01 -0.55 3.13 0.00 -1.92 -0.66 119.26 119.65 1v5r h ALA 68 Ca 0.14 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1v5r h ALA 68 Cb 0.37 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.81 1v5r h ALA 68 CO -0.84 -0.66 -0.13 0.78 0.00 0.00 0.00 179.25 178.40 1v5r h GLY 69 N -0.15 0.41 1.93 0.00 0.00 -1.08 0.45 103.07 104.61 1v5r h GLY 69 Ca 0.24 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.75 1v5r h GLY 69 CO -0.68 -0.21 0.03 -1.82 0.00 0.00 0.00 176.54 173.86 1v5r h TYR 70 N 0.00 0.00 0.09 5.60 5.03 -0.33 -0.71 116.97 126.66 1v5r h TYR 70 Ca 0.27 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.31 1v5r h TYR 70 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1v5r h TYR 70 CO -0.46 0.00 -1.24 1.25 -1.32 0.00 0.00 178.16 176.39 1v5r h LEU 71 N 0.00 0.29 0.08 2.82 5.85 0.48 -3.27 115.31 121.58 1v5r h LEU 71 Ca 0.01 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1v5r h LEU 71 Cb 0.07 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1v5r h LEU 71 CO -0.00 1.26 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.25 1v5r h LEU 72 N 0.05 -0.10 -0.90 2.25 3.38 0.18 0.47 115.31 120.65 1v5r h LEU 72 Ca -0.12 -0.46 0.23 0.00 0.09 0.00 0.00 57.88 57.62 1v5r h LEU 72 Cb 1.93 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 42.57 1v5r h LEU 72 CO 0.17 0.45 0.39 0.07 0.09 0.00 0.00 178.44 179.61 1v5r h LYS 73 N -0.69 0.37 0.00 1.13 2.10 -1.46 -2.34 116.57 115.68 1v5r h LYS 73 Ca -0.01 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.55 1v5r h LYS 73 Cb 0.55 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1v5r h LYS 73 CO 0.02 0.24 -0.38 0.45 -2.00 0.00 0.00 179.45 177.78 1v5r h HIS 74 N 0.38 0.00 -2.97 0.07 3.86 -1.60 -3.45 115.15 111.44 1v5r h HIS 74 Ca 0.57 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 59.21 1v5r h HIS 74 Cb 1.11 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.53 1v5r h HIS 74 CO -0.14 1.12 0.90 0.34 0.86 0.00 0.00 177.93 181.01 1v5r s ASP 75 N -6.40 6.93 -0.02 2.45 -1.08 0.17 -4.94 116.67 113.78 1v5r s ASP 75 Ca -0.22 1.57 -0.25 0.00 -0.52 0.00 0.00 52.55 53.13 1v5r s ASP 75 Cb -0.00 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.72 1v5r s ASP 75 CO 0.65 -0.79 1.22 1.55 0.52 0.00 0.00 175.17 178.31 1v5r h PRO 76 N 8.23 -0.07 -0.02 4.34 0.13 -1.86 -2.51 132.00 140.24 1v5r h PRO 76 Ca -0.25 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1v5r h PRO 76 Cb 1.09 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1v5r h PRO 76 CO 0.98 0.39 0.22 0.00 -0.23 0.00 0.00 178.00 179.36 1v5r h ARG 78 N 0.00 0.01 -0.67 0.00 3.08 -1.83 -3.34 114.38 111.63 1v5r h ARG 78 Ca 0.01 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1v5r h ARG 78 Cb 0.45 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1v5r h ARG 78 CO -0.00 1.01 0.46 0.52 -1.07 0.00 0.00 179.97 180.89 1v5r h MET 79 N -0.98 0.23 -0.76 0.04 2.86 -0.87 -1.40 114.93 114.05 1v5r h MET 79 Ca -0.16 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.69 1v5r h MET 79 Cb 1.15 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 1v5r h MET 79 CO -0.09 0.15 1.08 -0.07 1.06 0.00 0.00 176.91 179.05 1v5r h LEU 80 N 0.24 0.00 -2.53 1.22 3.38 -1.54 0.80 115.31 116.88 1v5r h LEU 80 Ca 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 1v5r h LEU 80 Cb 0.94 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1v5r h LEU 80 CO -0.07 0.00 0.15 0.00 0.09 0.00 0.00 178.44 178.62 1v5r n GLN 81 N -3.15 1.29 -3.74 1.13 10.64 -0.53 -4.77 117.38 118.26 1v5r n GLN 81 Ca 0.17 -0.68 -0.13 0.00 -1.83 0.00 0.00 57.00 54.53 1v5r n GLN 81 Cb 1.32 -1.27 -0.11 0.00 -0.86 0.00 0.00 30.24 29.32 1v5r n GLN 81 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1v5r s ILE 82 N -0.78 -0.01 -1.17 -0.39 1.01 0.28 -5.07 121.20 115.08 1v5r s ILE 82 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1v5r s ILE 82 Cb 0.11 -0.53 0.23 0.00 0.01 0.00 0.00 42.46 42.28 1v5r s ILE 82 CO 0.02 0.01 1.94 -0.24 0.00 0.00 0.00 174.94 176.67 1v5r n SER 83 N 3.15 7.03 -3.73 3.58 2.88 -1.26 -4.93 113.62 120.34 1v5r n SER 83 Ca -0.15 -3.38 -0.15 0.00 -1.33 0.00 0.00 58.87 53.86 1v5r n SER 83 Cb 0.57 -1.30 -0.08 0.00 -0.75 0.00 0.00 64.21 62.65 1v5r n SER 83 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1v5r s ARG 84 N -2.34 1.55 0.02 -1.46 0.52 -1.26 -5.18 118.95 110.81 1v5r s ARG 84 Ca 0.42 -1.74 0.01 0.00 -0.52 0.00 0.00 55.73 53.90 1v5r s ARG 84 Cb 0.15 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.94 1v5r s ARG 84 CO -0.05 -0.58 -0.05 0.14 0.02 0.00 0.00 175.30 174.78 1v5r s VAL 85 N -3.71 0.37 0.12 3.52 -7.23 -1.26 -5.07 120.40 107.14 1v5r s VAL 85 Ca 0.36 -0.79 -0.27 0.00 -1.81 0.00 0.00 61.98 59.48 1v5r s VAL 85 Cb 0.03 -0.42 -0.08 0.00 0.56 0.00 0.00 36.38 36.47 1v5r s VAL 85 CO 0.18 -0.29 1.45 0.44 -0.31 0.00 0.00 175.10 176.58 1v5r h ASP 86 N 4.95 -1.65 -3.65 4.85 3.32 -2.02 -3.48 116.42 118.74 1v5r h ASP 86 Ca -0.32 0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1v5r h ASP 86 Cb 1.20 0.70 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1v5r h ASP 86 CO 0.43 -0.27 -0.43 0.61 -1.72 0.00 0.00 179.24 177.86 1v5r n GLY 87 N -1.27 -4.44 2.87 2.75 0.00 -1.26 -4.77 105.19 99.07 1v5r n GLY 87 Ca -0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1v5r n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1v5r n LYS 88 N 0.85 -4.85 -3.45 1.61 4.81 -1.26 -5.00 118.16 110.87 1v5r n LYS 88 Ca 0.00 0.62 -0.38 0.00 -0.87 0.00 0.00 58.31 57.69 1v5r n LYS 88 Cb 0.00 -4.97 -0.06 0.00 0.02 0.00 0.00 35.03 30.02 1v5r n LYS 88 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1v5r s THR 89 N -3.14 5.12 0.25 3.15 -1.32 -1.26 -5.05 115.64 113.39 1v5r s THR 89 Ca 0.34 0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 61.35 1v5r s THR 89 Cb -0.15 -3.73 -0.10 0.00 -1.51 0.00 0.00 72.50 67.01 1v5r s THR 89 CO 0.42 0.48 1.42 -0.94 -2.21 0.00 0.00 174.62 173.79 1v5r s SER 90 N -0.37 6.68 -0.08 8.08 1.04 -1.26 -4.94 113.70 122.85 1v5r s SER 90 Ca 0.23 2.65 -0.30 0.00 0.48 0.00 0.00 55.95 59.02 1v5r s SER 90 Cb -0.16 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.29 1v5r s SER 90 CO 0.11 -0.68 1.51 -2.16 0.98 0.00 0.00 173.24 173.00 1v5r s PRO 91 N -0.50 4.21 -0.21 4.02 0.04 -1.26 -4.98 135.00 136.32 1v5r s PRO 91 Ca 0.58 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.36 1v5r s PRO 91 Cb -0.41 -3.86 0.11 0.00 0.04 0.00 0.00 34.50 30.37 1v5r s PRO 91 CO 0.44 -0.77 0.91 -1.54 0.04 0.00 0.00 177.00 176.08 1v5r s SER 92 N 2.73 -0.52 -0.41 6.66 1.04 -1.26 -5.11 113.70 116.84 1v5r s SER 92 Ca 0.67 0.83 0.07 0.00 0.48 0.00 0.00 55.95 58.00 1v5r s SER 92 Cb -0.30 0.79 0.22 0.00 0.10 0.00 0.00 66.02 66.83 1v5r s SER 92 CO 0.25 -0.29 0.47 0.61 0.98 0.00 0.00 173.24 175.26 1v5r n GLY 93 N 1.72 2.70 0.00 7.32 0.00 -1.26 -4.94 105.19 110.73 1v5r n GLY 93 Ca -0.13 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.41 1v5r n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5r n PRO 94 N 1.86 0.49 -4.27 1.61 -0.04 -1.26 -4.61 135.00 128.77 1v5r n PRO 94 Ca 0.24 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 1v5r n PRO 94 Cb 0.51 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.43 1v5r n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v5r s SER 95 N -1.88 1.02 -0.18 3.54 0.15 -1.26 -5.03 113.70 110.06 1v5r s SER 95 Ca 0.18 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 1v5r s SER 95 Cb 0.08 -0.35 0.08 0.00 -1.71 0.00 0.00 66.02 64.11 1v5r s SER 95 CO 0.14 0.02 2.22 -0.24 1.20 0.00 0.00 173.24 176.57 1v5r n SER 96 N 3.56 5.95 0.00 5.45 2.88 -1.26 -5.22 113.62 124.98 1v5r n SER 96 Ca -0.21 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 1v5r n SER 96 Cb 0.53 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1v5r n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42