#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5r s SER 2 N 0.00 6.41 0.51 1.61 0.15 -1.26 -4.94 113.70 116.18 1v5r s SER 2 Ca 0.00 -1.79 0.05 0.00 0.70 0.00 0.00 55.95 54.91 1v5r s SER 2 Cb 0.00 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1v5r s SER 2 CO 0.00 -1.60 0.29 -0.44 1.20 0.00 0.00 173.24 172.69 1v5r s SER 3 N 5.06 4.52 0.36 5.45 0.01 -1.26 -5.05 113.70 122.79 1v5r s SER 3 Ca 0.53 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1v5r s SER 3 Cb 0.01 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1v5r s SER 3 CO -0.01 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1v5r n GLY 4 N -1.57 0.78 3.44 3.44 0.00 -1.26 -4.87 105.19 105.15 1v5r n GLY 4 Ca -0.05 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1v5r n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v5r n SER 5 N -3.64 -5.41 -3.90 1.61 2.88 -1.26 -4.97 113.62 98.92 1v5r n SER 5 Ca 0.00 -0.52 -0.29 0.00 -1.33 0.00 0.00 58.87 56.73 1v5r n SER 5 Cb 0.00 -4.79 -0.13 0.00 -0.75 0.00 0.00 64.21 58.54 1v5r n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v5r s SER 6 N -3.48 4.44 0.00 -3.46 0.15 -1.26 -4.89 113.70 105.21 1v5r s SER 6 Ca 0.46 -3.37 0.00 0.00 0.70 0.00 0.00 55.95 53.74 1v5r s SER 6 Cb -0.20 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1v5r s SER 6 CO 0.69 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1v5r n GLY 7 N 2.62 -1.87 2.94 9.45 0.00 -1.26 -5.17 105.19 111.90 1v5r n GLY 7 Ca 0.12 0.84 -0.17 0.00 0.00 0.00 0.00 46.02 46.81 1v5r n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1v5r s ASN 8 N 0.00 0.70 0.08 1.61 -0.87 -1.26 -5.06 114.94 110.15 1v5r s ASN 8 Ca 0.00 -0.10 -0.27 0.00 -1.57 0.00 0.00 52.86 50.92 1v5r s ASN 8 Cb 0.00 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.25 40.90 1v5r s ASN 8 CO 0.00 0.03 1.70 -0.07 -2.57 0.00 0.00 177.10 176.19 1v5r h LEU 9 N 6.35 -0.28 -0.65 0.60 -0.00 -2.01 -2.50 115.31 116.82 1v5r h LEU 9 Ca -0.32 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 57.66 1v5r h LEU 9 Cb 1.18 0.07 -0.11 0.00 -0.00 0.00 0.00 40.66 41.80 1v5r h LEU 9 CO 0.49 -0.20 -0.49 0.25 -0.00 0.00 0.00 178.44 178.49 1v5r h LEU 10 N -0.33 -1.70 0.08 1.67 5.85 -1.97 -1.43 115.31 117.48 1v5r h LEU 10 Ca -0.03 0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1v5r h LEU 10 Cb 0.26 0.76 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1v5r h LEU 10 CO 0.05 -0.33 -0.47 -0.78 -0.34 0.00 0.00 178.44 176.58 1v5r h ASP 11 N -0.21 -1.40 -0.99 1.25 3.58 -1.97 0.21 116.42 116.89 1v5r h ASP 11 Ca 0.16 0.16 0.37 0.00 0.42 0.00 0.00 57.03 58.14 1v5r h ASP 11 Cb 0.55 0.53 -0.17 0.00 1.72 0.00 0.00 39.33 41.95 1v5r h ASP 11 CO -0.74 -0.51 0.47 0.44 -2.88 0.00 0.00 179.24 176.03 1v5r h ASP 12 N -0.67 0.25 0.14 2.28 3.32 -0.83 0.17 116.42 121.08 1v5r h ASP 12 Ca 0.02 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1v5r h ASP 12 Cb 0.71 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1v5r h ASP 12 CO -0.29 -0.35 -0.07 0.00 -1.72 0.00 0.00 179.24 176.81 1v5r h ALA 13 N 1.96 -0.19 -0.48 3.45 0.00 -0.33 -2.90 119.26 120.77 1v5r h ALA 13 Ca 0.78 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.55 1v5r h ALA 13 Cb 1.96 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.72 1v5r h ALA 13 CO -0.75 -0.29 -0.18 0.28 0.00 0.00 0.00 179.25 178.32 1v5r h VAL 14 N -0.84 0.42 -0.42 0.00 2.07 0.11 0.20 116.25 117.79 1v5r h VAL 14 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1v5r h VAL 14 Cb 0.54 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1v5r h VAL 14 CO 0.03 0.00 0.10 0.50 0.02 0.00 0.00 177.57 178.23 1v5r h LYS 15 N -0.07 0.24 0.70 1.57 3.64 -0.90 -0.76 116.57 120.98 1v5r h LYS 15 Ca 0.23 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1v5r h LYS 15 Cb 0.42 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1v5r h LYS 15 CO -0.53 0.16 -0.33 0.00 -2.27 0.00 0.00 179.45 176.47 1v5r h ARG 16 N 0.24 -0.90 -0.72 1.90 3.08 -0.99 -0.19 114.38 116.81 1v5r h ARG 16 Ca 0.20 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.47 1v5r h ARG 16 Cb 0.24 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.37 1v5r h ARG 16 CO -0.25 -0.58 0.01 0.82 -1.07 0.00 0.00 179.97 178.90 1v5r h ILE 17 N -1.02 0.39 0.00 2.04 2.04 -0.47 1.20 117.51 121.69 1v5r h ILE 17 Ca -0.10 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1v5r h ILE 17 Cb 0.74 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1v5r h ILE 17 CO 0.16 0.02 -0.33 0.77 0.00 0.00 0.00 178.15 178.77 1v5r h SER 18 N 0.11 0.00 -0.47 1.72 4.64 -1.04 -2.72 113.55 115.79 1v5r h SER 18 Ca 0.39 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.47 1v5r h SER 18 Cb 0.67 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.62 1v5r h SER 18 CO -0.62 0.33 0.06 -0.62 -0.87 0.00 0.00 176.83 175.11 1v5r n GLU 19 N -3.98 2.00 -3.15 4.77 1.02 0.17 -4.48 120.64 116.99 1v5r n GLU 19 Ca -0.02 -3.14 0.06 0.00 -0.02 0.00 0.00 57.16 54.04 1v5r n GLU 19 Cb 0.39 -1.89 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.26 -0.37 0.43 1.62 -1.08 0.36 -3.89 116.67 111.48 1v5r s ASP 20 Ca 0.47 0.13 -0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1v5r s ASP 20 Cb 0.42 1.27 -0.08 0.00 -1.46 0.00 0.00 42.92 43.07 1v5r s ASP 20 CO 0.02 -0.07 1.18 -2.16 0.52 0.00 0.00 175.17 174.66 1v5r s PRO 21 N 2.96 3.91 0.10 4.34 0.04 -1.26 -4.28 135.00 140.82 1v5r s PRO 21 Ca 0.12 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 1v5r s PRO 21 Cb -0.06 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 1v5r s PRO 21 CO -0.16 -0.44 1.37 -1.25 0.04 0.00 0.00 177.00 176.56 1v5r s PRO 22 N -2.47 4.33 0.04 0.56 0.04 -1.25 -4.88 135.00 131.36 1v5r s PRO 22 Ca 0.60 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 63.34 1v5r s PRO 22 Cb -0.30 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 30.82 1v5r s PRO 22 CO 0.38 -0.43 1.74 0.00 0.04 0.00 0.00 177.00 178.72 1v5r h LYS 24 N 7.67 0.19 -5.25 0.00 1.79 -1.92 -3.47 116.57 115.58 1v5r h LYS 24 Ca -0.47 -0.26 -0.51 0.00 -2.18 0.00 0.00 60.65 57.23 1v5r h LYS 24 Cb 1.26 0.09 0.17 0.00 -1.58 0.00 0.00 32.23 32.17 1v5r h LYS 24 CO 0.92 1.05 -1.21 0.00 -1.08 0.00 0.00 179.45 179.13 1v5r n PRO 26 N 1.60 0.49 -3.86 0.00 -0.04 -1.26 -4.52 135.00 127.41 1v5r n PRO 26 Ca 0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 1v5r n PRO 26 Cb 0.44 -1.30 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.85 0.48 0.52 2.01 -1.26 -5.13 115.64 111.10 1v5r s THR 27 Ca 0.14 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 1v5r s THR 27 Cb 0.07 -0.94 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 1v5r s THR 27 CO 0.11 0.29 1.02 -0.75 -0.69 0.00 0.00 174.62 174.60 1v5r s LYS 28 N 1.77 3.89 0.79 4.92 2.47 -1.26 -4.96 119.74 127.36 1v5r s LYS 28 Ca 0.04 1.29 -0.12 0.00 -1.56 0.00 0.00 55.97 55.63 1v5r s LYS 28 Cb -0.13 -2.11 0.07 0.00 -1.46 0.00 0.00 37.83 34.20 1v5r s LYS 28 CO -0.07 -0.35 1.12 0.12 0.16 0.00 0.00 175.35 176.33 1v5r s PHE 29 N -2.05 2.27 -0.51 4.03 2.19 -1.26 -4.96 117.98 117.69 1v5r s PHE 29 Ca 0.66 1.62 -0.22 0.00 0.33 0.00 0.00 56.93 59.32 1v5r s PHE 29 Cb -0.14 -3.19 0.04 0.00 -1.31 0.00 0.00 43.02 38.41 1v5r s PHE 29 CO 0.19 -2.14 0.80 0.00 1.83 0.00 0.00 175.22 175.90 1v5r s VAL 31 N 3.37 0.34 -0.05 0.00 1.01 -1.17 -3.02 120.40 120.88 1v5r s VAL 31 Ca 0.25 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1v5r s VAL 31 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1v5r s VAL 31 CO 0.18 -0.46 -0.14 -0.70 0.00 0.00 0.00 175.10 173.98 1v5r s GLU 32 N 1.92 1.58 -0.03 2.72 2.56 -1.13 -4.91 118.70 121.41 1v5r s GLU 32 Ca 0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 54.97 54.24 1v5r s GLU 32 Cb -0.17 -1.36 -0.03 0.00 2.00 0.00 0.00 34.13 34.57 1v5r s GLU 32 CO -0.19 0.15 0.94 0.50 -0.56 0.00 0.00 175.26 176.09 1v5r s ARG 33 N 0.26 4.52 -0.07 4.30 3.52 -1.26 -0.14 118.95 130.07 1v5r s ARG 33 Ca -0.07 1.32 -0.04 0.00 -0.13 0.00 0.00 55.73 56.81 1v5r s ARG 33 Cb -0.12 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1v5r s ARG 33 CO 0.02 -0.07 -0.10 1.28 -0.81 0.00 0.00 175.30 175.62 1v5r n LEU 34 N 4.04 0.60 -4.05 -0.88 4.77 -1.01 -4.96 117.00 115.52 1v5r n LEU 34 Ca 0.05 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1v5r n LEU 34 Cb 0.51 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1v5r n LEU 34 CO 0.51 0.10 0.15 -0.44 -1.33 0.00 0.00 177.39 176.39 1v5r s SER 35 N -5.72 0.46 -0.80 -1.43 0.01 -1.14 -5.00 113.70 100.08 1v5r s SER 35 Ca -0.11 -1.27 -0.24 0.00 1.31 0.00 0.00 55.95 55.65 1v5r s SER 35 Cb 0.04 0.63 -0.16 0.00 0.21 0.00 0.00 66.02 66.74 1v5r s SER 35 CO 0.13 -1.24 2.39 0.00 0.41 0.00 0.00 173.24 174.93 1v5r n GLN 36 N -0.48 0.51 0.00 12.44 10.64 -1.26 -1.05 117.38 138.17 1v5r n GLN 36 Ca -0.00 -0.69 0.00 0.00 -1.83 0.00 0.00 57.00 54.48 1v5r n GLN 36 Cb 0.62 -3.31 0.00 0.00 -0.86 0.00 0.00 30.24 26.69 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1v5r n GLY 37 N 6.59 2.01 3.72 2.61 0.00 -1.26 -4.99 105.19 113.88 1v5r n GLY 37 Ca 0.49 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.65 -0.03 1.61 3.52 -0.22 0.08 118.95 128.56 1v5r s ARG 38 Ca 0.00 1.48 -0.12 0.00 -0.13 0.00 0.00 55.73 56.95 1v5r s ARG 38 Cb 0.00 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1v5r s ARG 38 CO 0.00 0.13 0.28 0.71 -0.81 0.00 0.00 175.30 175.61 1v5r s TYR 39 N 0.23 -0.18 -0.51 5.12 1.51 -1.08 -2.39 117.35 120.05 1v5r s TYR 39 Ca 0.49 0.32 -0.25 0.00 -1.01 0.00 0.00 57.07 56.62 1v5r s TYR 39 Cb -0.24 0.08 0.03 0.00 -0.11 0.00 0.00 41.96 41.72 1v5r s TYR 39 CO 0.30 -0.32 0.95 0.50 -1.11 0.00 0.00 175.55 175.87 1v5r s ARG 40 N -0.98 3.43 -0.18 -0.62 3.52 0.80 -2.99 118.95 121.93 1v5r s ARG 40 Ca -0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1v5r s ARG 40 Cb -0.05 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.35 1v5r s ARG 40 CO 0.03 -1.37 -0.13 0.08 -0.81 0.00 0.00 175.30 173.10 1v5r s VAL 41 N 3.90 2.69 -1.15 7.11 1.01 0.43 -2.81 120.40 131.57 1v5r s VAL 41 Ca 0.34 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1v5r s VAL 41 Cb -0.11 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1v5r s VAL 41 CO 0.23 0.49 0.78 0.61 0.00 0.00 0.00 175.10 177.21 1v5r n GLY 42 N 4.48 -0.95 4.00 4.51 0.00 -1.17 -1.13 105.19 114.94 1v5r n GLY 42 Ca -0.19 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1v5r n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1v5r n GLU 43 N -4.19 -3.13 -3.86 1.61 0.28 -1.26 -4.93 120.64 105.16 1v5r n GLU 43 Ca -0.11 0.37 -0.11 0.00 -0.16 0.00 0.00 57.16 57.15 1v5r n GLU 43 Cb 0.60 -5.09 -0.10 0.00 1.43 0.00 0.00 31.44 28.27 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1v5r s LYS 44 N -6.69 0.42 -0.34 3.44 1.02 -0.29 -5.14 119.74 112.18 1v5r s LYS 44 Ca 0.66 -0.26 -0.15 0.00 0.02 0.00 0.00 55.97 56.24 1v5r s LYS 44 Cb -0.36 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1v5r s LYS 44 CO 0.81 -0.10 0.34 0.42 -0.92 0.00 0.00 175.35 175.91 1v5r s ILE 45 N -1.06 5.19 0.01 2.17 -1.09 -1.26 -0.43 121.20 124.73 1v5r s ILE 45 Ca -0.11 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 1v5r s ILE 45 Cb -0.06 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1v5r s ILE 45 CO 0.01 -0.06 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.74 1v5r s LEU 46 N 1.98 2.10 -0.71 2.97 1.43 -1.16 -5.01 118.68 120.28 1v5r s LEU 46 Ca 0.11 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1v5r s LEU 46 Cb -0.17 -0.83 0.09 0.00 0.03 0.00 0.00 46.19 45.31 1v5r s LEU 46 CO 0.11 0.16 0.96 -0.36 0.23 0.00 0.00 176.35 177.45 1v5r s PHE 47 N -0.59 2.80 -0.01 0.29 0.40 -1.26 -2.64 117.98 116.97 1v5r s PHE 47 Ca 0.06 -0.77 -0.23 0.00 -0.60 0.00 0.00 56.93 55.38 1v5r s PHE 47 Cb -0.07 -4.26 -0.05 0.00 0.51 0.00 0.00 43.02 39.15 1v5r s PHE 47 CO 0.00 -1.57 0.68 0.42 0.70 0.00 0.00 175.22 175.45 1v5r s ILE 48 N 3.62 4.90 0.44 0.64 1.01 0.11 -1.31 121.20 130.61 1v5r s ILE 48 Ca 0.23 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.37 1v5r s ILE 48 Cb -0.15 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1v5r s ILE 48 CO 0.06 0.35 0.03 -0.13 0.00 0.00 0.00 174.94 175.24 1v5r s ARG 49 N 0.18 2.05 -0.27 2.79 0.52 0.97 -4.24 118.95 120.95 1v5r s ARG 49 Ca 0.36 -2.17 -0.02 0.00 -0.52 0.00 0.00 55.73 53.37 1v5r s ARG 49 Cb -0.19 -1.64 0.09 0.00 0.52 0.00 0.00 34.95 33.73 1v5r s ARG 49 CO 0.19 -0.15 0.08 1.41 0.02 0.00 0.00 175.30 176.86 1v5r s MET 50 N -3.78 0.61 -0.16 3.54 1.75 -1.26 -1.98 119.30 118.02 1v5r s MET 50 Ca 0.27 -0.76 -0.29 0.00 -1.25 0.00 0.00 55.69 53.67 1v5r s MET 50 Cb 0.07 -1.88 -0.05 0.00 2.84 0.00 0.00 34.83 35.81 1v5r s MET 50 CO 0.14 -0.88 1.88 -0.51 -0.65 0.00 0.00 175.02 175.01 1v5r s LEU 51 N 1.78 3.88 -1.06 4.11 1.43 -0.01 -2.70 118.68 126.11 1v5r s LEU 51 Ca 0.06 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 55.01 1v5r s LEU 51 Cb -0.17 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1v5r s LEU 51 CO -0.22 -1.42 0.35 1.41 0.23 0.00 0.00 176.35 176.70 1v5r n HIS 52 N 9.21 -1.69 -3.65 0.29 8.25 -1.26 0.24 115.22 126.61 1v5r n HIS 52 Ca 0.22 0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 57.76 1v5r n HIS 52 Cb 0.44 -2.27 -0.01 0.00 1.12 0.00 0.00 29.99 29.27 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 -2.09 -3.47 0.00 0.41 4.13 -1.10 -4.75 115.26 108.39 1v5r n ASN 53 Ca -0.00 -0.59 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1v5r n ASN 53 Cb 0.52 -2.87 0.00 0.00 -1.54 0.00 0.00 39.78 35.89 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1v5r n LYS 54 N -3.92 0.56 -4.45 3.52 4.81 0.14 -5.03 118.16 113.78 1v5r n LYS 54 Ca 0.02 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.17 1v5r n LYS 54 Cb 0.52 -0.83 -0.13 0.00 0.02 0.00 0.00 35.03 34.61 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 -1.66 2.31 -0.24 5.64 3.76 -0.96 -4.97 115.29 119.17 1v5r s HIS 55 Ca 0.00 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1v5r s HIS 55 Cb 0.00 -1.26 0.02 0.00 1.11 0.00 0.00 32.58 32.45 1v5r s HIS 55 CO 0.00 0.31 -0.08 0.08 -0.85 0.00 0.00 174.74 174.21 1v5r s VAL 56 N -1.03 2.80 0.17 -0.90 1.01 -1.26 -0.83 120.40 120.36 1v5r s VAL 56 Ca 0.14 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1v5r s VAL 56 Cb -0.10 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1v5r s VAL 56 CO 0.06 0.24 -0.17 -0.04 0.00 0.00 0.00 175.10 175.18 1v5r s MET 57 N 1.32 1.28 0.14 2.72 -1.94 -0.84 -1.55 119.30 120.43 1v5r s MET 57 Ca 0.01 -1.44 0.10 0.00 -1.71 0.00 0.00 55.69 52.65 1v5r s MET 57 Cb -0.16 -1.28 -0.04 0.00 2.01 0.00 0.00 34.83 35.35 1v5r s MET 57 CO -0.05 0.25 -0.19 0.14 -0.01 0.00 0.00 175.02 175.16 1v5r s VAL 58 N -2.22 2.73 -0.02 -6.03 -7.23 -0.69 -0.02 120.40 106.92 1v5r s VAL 58 Ca 0.17 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 1v5r s VAL 58 Cb -0.05 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 1v5r s VAL 58 CO 0.07 0.05 0.61 -0.60 -0.31 0.00 0.00 175.10 174.91 1v5r s ARG 59 N -2.28 4.34 -0.11 4.82 3.52 -0.43 -2.60 118.95 126.22 1v5r s ARG 59 Ca 0.18 0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 56.48 1v5r s ARG 59 Cb -0.10 -3.36 0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1v5r s ARG 59 CO 0.10 0.32 0.25 0.14 -0.81 0.00 0.00 175.30 175.30 1v5r s VAL 60 N -0.02 -0.04 0.00 7.11 -7.23 -0.64 -4.34 120.40 115.25 1v5r s VAL 60 Ca 0.32 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 1v5r s VAL 60 Cb -0.18 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1v5r s VAL 60 CO 0.17 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1v5r n GLY 61 N 4.13 0.36 2.56 2.32 0.00 -1.26 0.20 105.19 113.51 1v5r n GLY 61 Ca -0.24 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 2.88 3.86 -0.02 0.00 -1.26 -5.01 105.19 105.64 1v5r n GLY 62 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.09 -0.11 -0.05 -0.02 0.00 0.13 -5.16 107.32 99.02 1v5r s GLY 63 Ca 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.10 1v5r s GLY 63 CO -0.03 3.08 0.01 -0.98 0.00 0.00 0.00 173.10 175.18 1v5r s TRP 64 N -2.24 0.40 0.22 1.90 0.52 -1.26 -1.61 118.94 116.86 1v5r s TRP 64 Ca 0.23 -0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.35 1v5r s TRP 64 Cb -0.00 -0.57 0.02 0.00 -1.15 0.00 0.00 33.47 31.77 1v5r s TRP 64 CO 0.01 -0.21 0.13 -0.85 0.02 0.00 0.00 176.95 176.04 1v5r n GLU 65 N 4.72 1.24 -3.24 4.98 0.00 -1.07 -4.89 120.64 122.38 1v5r n GLU 65 Ca -0.15 -1.43 -0.42 0.00 0.00 0.00 0.00 57.16 55.16 1v5r n GLU 65 Cb 0.50 0.21 -0.08 0.00 0.00 0.00 0.00 31.44 32.07 1v5r n GLU 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1v5r s THR 66 N -1.26 4.99 0.16 3.84 -4.23 -1.26 -1.71 115.64 116.17 1v5r s THR 66 Ca 0.10 -0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.40 1v5r s THR 66 Cb -0.01 -4.06 0.09 0.00 1.34 0.00 0.00 72.50 69.86 1v5r s THR 66 CO 0.06 -0.41 1.23 0.33 -0.54 0.00 0.00 174.62 175.29 1v5r n PHE 67 N 5.83 -0.13 -0.11 3.99 7.35 -0.59 0.75 117.46 134.54 1v5r n PHE 67 Ca -0.05 0.98 -0.05 0.00 -0.76 0.00 0.00 57.45 57.57 1v5r n PHE 67 Cb 0.48 -0.70 0.01 0.00 0.35 0.00 0.00 39.48 39.62 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 0.80 0.22 -0.82 3.13 0.00 -1.93 -0.47 119.26 120.19 1v5r h ALA 68 Ca 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1v5r h ALA 68 Cb 0.41 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1v5r h ALA 68 CO -0.77 -0.48 0.40 0.78 0.00 0.00 0.00 179.25 179.19 1v5r h GLY 69 N -0.03 1.25 1.90 0.00 0.00 -0.05 -2.23 103.07 103.90 1v5r h GLY 69 Ca 0.18 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1v5r h GLY 69 CO -0.41 0.58 -0.19 -1.82 0.00 0.00 0.00 176.54 174.70 1v5r h TYR 70 N 1.16 0.13 -0.28 5.60 5.03 0.57 -2.49 116.97 126.69 1v5r h TYR 70 Ca 0.28 -0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.43 1v5r h TYR 70 Cb 0.10 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1v5r h TYR 70 CO 0.01 0.31 -0.43 1.25 -1.32 0.00 0.00 178.16 177.99 1v5r h LEU 71 N 0.12 0.75 -0.10 2.82 5.85 -0.53 -3.16 115.31 121.06 1v5r h LEU 71 Ca 0.02 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1v5r h LEU 71 Cb 0.41 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1v5r h LEU 71 CO 0.03 1.07 0.02 -0.07 -0.34 0.00 0.00 178.44 179.15 1v5r h LEU 72 N 0.56 0.15 -0.60 2.25 3.38 -1.13 0.13 115.31 120.06 1v5r h LEU 72 Ca 0.04 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 57.89 1v5r h LEU 72 Cb 0.97 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.56 1v5r h LEU 72 CO 0.09 0.36 -0.18 0.11 0.09 0.00 0.00 178.44 178.91 1v5r h LYS 73 N -0.06 -0.03 0.30 1.13 1.57 -1.48 -2.78 116.57 115.22 1v5r h LYS 73 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1v5r h LYS 73 Cb 0.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1v5r h LYS 73 CO 0.00 -0.02 -0.14 0.45 -0.57 0.00 0.00 179.45 179.17 1v5r h HIS 74 N -0.03 -0.37 -2.71 -1.35 3.86 -1.51 -3.43 115.15 109.62 1v5r h HIS 74 Ca 0.29 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.93 1v5r h HIS 74 Cb 0.47 0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1v5r h HIS 74 CO -0.52 -0.08 1.04 0.34 0.86 0.00 0.00 177.93 179.57 1v5r s ASP 75 N -5.16 6.72 -0.02 2.45 -1.08 0.45 -4.92 116.67 115.10 1v5r s ASP 75 Ca -0.10 2.03 -0.25 0.00 -0.52 0.00 0.00 52.55 53.72 1v5r s ASP 75 Cb 0.01 -2.53 -0.18 0.00 -1.46 0.00 0.00 42.92 38.75 1v5r s ASP 75 CO 0.35 -0.91 1.17 1.55 0.52 0.00 0.00 175.17 177.85 1v5r h PRO 76 N 9.28 -0.14 -0.82 4.34 0.13 -1.84 -2.95 132.00 140.00 1v5r h PRO 76 Ca -0.35 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 64.94 1v5r h PRO 76 Cb 1.15 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1v5r h PRO 76 CO 0.96 0.30 0.54 0.00 -0.23 0.00 0.00 178.00 179.57 1v5r h ARG 78 N 0.51 -0.53 -1.20 0.00 3.08 -1.85 -2.92 114.38 111.47 1v5r h ARG 78 Ca 0.41 0.04 0.45 0.00 0.07 0.00 0.00 59.98 60.95 1v5r h ARG 78 Cb 0.85 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.87 1v5r h ARG 78 CO -0.16 -0.25 0.73 -1.33 -1.07 0.00 0.00 179.97 177.89 1v5r n MET 79 N -5.24 -0.05 -0.36 0.04 2.81 -0.83 -0.34 117.12 113.16 1v5r n MET 79 Ca -0.11 1.30 0.30 0.00 -1.81 0.00 0.00 57.70 57.38 1v5r n MET 79 Cb 0.28 -2.46 0.49 0.00 -0.71 0.00 0.00 33.22 30.82 1v5r n MET 79 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1v5r n LEU 80 N -4.94 0.12 -0.24 4.03 4.77 -1.10 -0.45 117.00 119.19 1v5r n LEU 80 Ca 0.39 0.92 0.07 0.00 -0.03 0.00 0.00 56.01 57.36 1v5r n LEU 80 Cb 1.44 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 42.21 1v5r n LEU 80 CO 0.10 -0.99 0.48 0.00 -1.33 0.00 0.00 177.39 175.65 1v5r n GLN 81 N -3.95 -0.06 -3.75 3.23 6.02 0.54 -4.34 117.38 115.08 1v5r n GLN 81 Ca 0.29 1.02 -0.13 0.00 -0.01 0.00 0.00 57.00 58.17 1v5r n GLN 81 Cb 1.15 -1.57 -0.11 0.00 1.02 0.00 0.00 30.24 30.73 1v5r n GLN 81 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1v5r s ILE 82 N -5.72 -0.01 -0.18 5.09 1.09 0.41 -5.11 121.20 116.77 1v5r s ILE 82 Ca -0.09 0.02 -0.32 0.00 -1.10 0.00 0.00 60.65 59.16 1v5r s ILE 82 Cb 0.19 -0.48 -0.15 0.00 -1.06 0.00 0.00 42.46 40.96 1v5r s ILE 82 CO 0.52 0.01 0.97 -1.54 -0.10 0.00 0.00 174.94 174.80 1v5r n SER 83 N 3.17 0.44 -3.55 3.58 3.41 -1.26 -4.85 113.62 114.55 1v5r n SER 83 Ca -0.15 0.86 -0.20 0.00 -0.26 0.00 0.00 58.87 59.12 1v5r n SER 83 Cb 0.57 -0.66 0.17 0.00 -0.26 0.00 0.00 64.21 64.03 1v5r n SER 83 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1v5r n ARG 84 N 2.01 -2.67 -3.94 4.33 0.00 -1.26 -5.05 116.66 110.07 1v5r n ARG 84 Ca 0.19 -0.79 -0.10 0.00 -0.00 0.00 0.00 57.85 57.15 1v5r n ARG 84 Cb 0.01 -1.54 -0.06 0.00 -0.00 0.00 0.00 32.46 30.86 1v5r n ARG 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1v5r s VAL 85 N -2.08 0.05 -0.43 8.89 -7.23 -1.26 -5.13 120.40 113.21 1v5r s VAL 85 Ca 0.41 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 59.13 1v5r s VAL 85 Cb -0.07 -1.88 0.06 0.00 0.56 0.00 0.00 36.38 35.04 1v5r s VAL 85 CO 0.37 -0.21 0.30 -0.62 -0.31 0.00 0.00 175.10 174.63 1v5r s ASP 86 N -2.97 5.91 -0.30 4.85 2.15 -1.26 -5.02 116.67 120.03 1v5r s ASP 86 Ca 0.18 -1.24 -0.10 0.00 0.43 0.00 0.00 52.55 51.81 1v5r s ASP 86 Cb 0.02 -2.09 0.15 0.00 -0.30 0.00 0.00 42.92 40.71 1v5r s ASP 86 CO 0.01 -0.53 0.77 -0.83 -0.17 0.00 0.00 175.17 174.43 1v5r s GLY 87 N 2.10 -0.58 0.04 2.66 0.00 -1.26 -5.17 107.32 105.11 1v5r s GLY 87 Ca 0.03 2.51 0.01 0.00 0.00 0.00 0.00 44.72 47.28 1v5r s GLY 87 CO 0.06 3.23 -0.06 1.25 0.00 0.00 0.00 173.10 177.58 1v5r s LYS 88 N 2.76 0.51 -0.01 2.90 2.20 -1.26 -5.16 119.74 121.67 1v5r s LYS 88 Ca -0.00 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1v5r s LYS 88 Cb -0.11 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 1v5r s LYS 88 CO -0.18 0.00 -0.05 0.99 -0.36 0.00 0.00 175.35 175.75 1v5r s THR 89 N -1.84 0.44 -0.38 3.43 2.01 -1.26 -5.12 115.64 112.92 1v5r s THR 89 Ca -0.08 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 1v5r s THR 89 Cb -0.07 -0.41 0.08 0.00 0.01 0.00 0.00 72.50 72.11 1v5r s THR 89 CO -0.01 0.15 0.16 -0.44 -0.69 0.00 0.00 174.62 173.79 1v5r s SER 90 N 0.18 5.29 0.00 3.53 0.01 -1.26 -4.94 113.70 116.50 1v5r s SER 90 Ca -0.02 -1.61 0.15 0.00 1.31 0.00 0.00 55.95 55.78 1v5r s SER 90 Cb -0.06 -1.85 0.83 0.00 0.21 0.00 0.00 66.02 65.15 1v5r s SER 90 CO -0.00 -0.45 1.38 -0.81 0.41 0.00 0.00 173.24 173.76 1v5r n PRO 91 N 4.71 0.33 -3.93 12.44 -0.04 -1.26 -4.86 135.00 142.40 1v5r n PRO 91 Ca -0.08 0.08 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1v5r n PRO 91 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1v5r n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v5r n SER 92 N -1.16 -3.49 -2.97 3.54 7.64 -1.26 -4.92 113.62 111.00 1v5r n SER 92 Ca 0.09 -0.84 0.03 0.00 1.01 0.00 0.00 58.87 59.15 1v5r n SER 92 Cb 0.09 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1v5r n SER 92 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v5r s GLY 93 N -3.60 -1.34 0.00 0.23 0.00 -1.26 -5.00 107.32 96.35 1v5r s GLY 93 Ca 0.49 1.20 0.13 0.00 0.00 0.00 0.00 44.72 46.54 1v5r s GLY 93 CO 0.85 4.08 1.19 -1.55 0.00 0.00 0.00 173.10 177.67 1v5r n PRO 94 N 4.26 0.49 -1.03 2.90 -0.04 -1.26 -4.89 135.00 135.43 1v5r n PRO 94 Ca 0.07 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 1v5r n PRO 94 Cb 0.60 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1v5r n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1v5r n SER 95 N -0.91 -2.67 -4.11 3.54 3.41 -1.26 -4.89 113.62 106.73 1v5r n SER 95 Ca 0.10 0.59 -0.37 0.00 -0.26 0.00 0.00 58.87 58.93 1v5r n SER 95 Cb 0.04 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 63.20 1v5r n SER 95 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v5r s SER 96 N -0.81 5.34 0.00 4.04 0.15 -1.26 -5.01 113.70 116.15 1v5r s SER 96 Ca 0.47 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 54.22 1v5r s SER 96 Cb -0.46 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1v5r s SER 96 CO 0.52 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.21