#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 -0.55 -1.04 1.61 0.15 -1.26 -5.10 113.70 107.51 1v5r s SER 2 Ca 0.00 0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.85 1v5r s SER 2 Cb 0.00 0.51 0.24 0.00 -1.71 0.00 0.00 66.02 65.06 1v5r s SER 2 CO 0.00 -0.71 1.07 -0.44 1.20 0.00 0.00 173.24 174.35 1v5r s SER 3 N -1.94 7.10 0.00 5.45 0.01 -1.26 -4.91 113.70 118.15 1v5r s SER 3 Ca -0.03 -3.18 0.00 0.00 1.31 0.00 0.00 55.95 54.05 1v5r s SER 3 Cb -0.01 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1v5r s SER 3 CO -0.02 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.76 1v5r n GLY 4 N 3.41 1.74 3.29 3.44 0.00 -1.26 -5.03 105.19 110.79 1v5r n GLY 4 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1v5r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5r s SER 5 N 0.87 7.00 -0.83 1.61 0.15 -1.26 -4.96 113.70 116.27 1v5r s SER 5 Ca 0.00 -3.52 -0.05 0.00 0.70 0.00 0.00 55.95 53.09 1v5r s SER 5 Cb 0.00 -2.15 0.21 0.00 -1.71 0.00 0.00 66.02 62.37 1v5r s SER 5 CO 0.00 -0.30 0.72 -0.44 1.20 0.00 0.00 173.24 174.42 1v5r s SER 6 N 1.13 6.03 -0.05 5.45 0.01 -1.26 -5.02 113.70 119.99 1v5r s SER 6 Ca 0.29 -3.32 -0.02 0.00 1.31 0.00 0.00 55.95 54.20 1v5r s SER 6 Cb -0.10 -1.97 0.04 0.00 0.21 0.00 0.00 66.02 64.20 1v5r s SER 6 CO -0.09 -0.30 0.09 -0.83 0.41 0.00 0.00 173.24 172.52 1v5r s GLY 7 N 0.57 0.07 0.30 3.44 0.00 -1.26 -5.16 107.32 105.28 1v5r s GLY 7 Ca 0.23 0.44 0.08 0.00 0.00 0.00 0.00 44.72 45.48 1v5r s GLY 7 CO -0.09 1.08 0.18 -1.31 0.00 0.00 0.00 173.10 172.96 1v5r s ASN 8 N 1.51 5.11 -0.16 1.64 -0.87 -1.26 -5.06 114.94 115.86 1v5r s ASN 8 Ca -0.04 -0.50 -0.10 0.00 -1.57 0.00 0.00 52.86 50.64 1v5r s ASN 8 Cb -0.12 -1.04 -0.23 0.00 -0.02 0.00 0.00 41.25 39.83 1v5r s ASN 8 CO -0.04 -0.17 0.25 0.18 -2.57 0.00 0.00 177.10 174.75 1v5r n LEU 9 N -1.18 2.43 0.26 0.60 7.99 -1.26 -3.90 117.00 121.93 1v5r n LEU 9 Ca -0.05 0.25 -0.16 0.00 -0.01 0.00 0.00 56.01 56.04 1v5r n LEU 9 Cb 0.59 -1.05 -0.08 0.00 -0.11 0.00 0.00 43.42 42.77 1v5r n LEU 9 CO 0.42 0.69 0.64 0.25 -1.51 0.00 0.00 177.39 177.89 1v5r h LEU 10 N -0.27 -0.88 -0.60 2.23 5.85 -1.96 0.24 115.31 119.92 1v5r h LEU 10 Ca -0.43 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.48 1v5r h LEU 10 Cb 1.81 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 43.01 1v5r h LEU 10 CO -0.03 -0.50 -0.16 0.44 -0.34 0.00 0.00 178.44 177.86 1v5r h ASP 11 N -0.76 -0.59 -0.46 1.25 5.19 -1.90 0.73 116.42 119.88 1v5r h ASP 11 Ca -0.04 0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1v5r h ASP 11 Cb 0.66 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1v5r h ASP 11 CO -0.01 -0.21 0.15 -0.78 -3.12 0.00 0.00 179.24 175.28 1v5r h ASP 12 N -0.01 0.66 0.57 6.45 1.82 -1.61 -0.06 116.42 124.24 1v5r h ASP 12 Ca 0.29 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1v5r h ASP 12 Cb 0.45 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.28 1v5r h ASP 12 CO -0.62 0.69 -0.13 0.00 -1.61 0.00 0.00 179.24 177.56 1v5r h ALA 13 N 1.00 1.16 0.20 -0.78 0.00 0.12 -0.60 119.26 120.36 1v5r h ALA 13 Ca 0.15 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1v5r h ALA 13 Cb 0.26 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1v5r h ALA 13 CO -0.01 0.17 -1.62 0.28 0.00 0.00 0.00 179.25 178.07 1v5r h VAL 14 N 0.00 1.10 -0.11 0.00 2.07 0.93 -3.22 116.25 117.02 1v5r h VAL 14 Ca -0.00 -2.63 -0.18 0.00 0.82 0.00 0.00 66.70 64.71 1v5r h VAL 14 Cb 0.45 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1v5r h VAL 14 CO 0.02 0.84 -0.69 0.50 0.02 0.00 0.00 177.57 178.26 1v5r h LYS 15 N 0.12 0.47 -0.34 1.57 3.64 -0.81 -2.89 116.57 118.33 1v5r h LYS 15 Ca -0.30 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1v5r h LYS 15 Cb 2.12 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.99 1v5r h LYS 15 CO 0.21 0.99 0.20 0.07 -2.27 0.00 0.00 179.45 178.66 1v5r h ARG 16 N 0.34 0.47 -0.62 1.90 0.11 -1.24 -0.80 114.38 114.54 1v5r h ARG 16 Ca -0.02 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 1v5r h ARG 16 Cb 1.26 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.21 1v5r h ARG 16 CO 0.12 0.36 0.29 0.82 0.10 0.00 0.00 179.97 181.66 1v5r h ILE 17 N 0.44 1.22 0.00 0.08 2.04 -1.57 -0.87 117.51 118.85 1v5r h ILE 17 Ca 0.12 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1v5r h ILE 17 Cb 0.02 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1v5r h ILE 17 CO -0.02 0.25 0.00 0.77 0.00 0.00 0.00 178.15 179.15 1v5r h SER 18 N 0.85 0.00 -0.16 1.72 4.64 -1.28 -2.59 113.55 116.74 1v5r h SER 18 Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1v5r h SER 18 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1v5r h SER 18 CO -0.03 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.21 1v5r n GLU 19 N -2.32 1.91 -3.15 4.77 -0.58 -0.33 -4.43 120.64 116.52 1v5r n GLU 19 Ca 0.02 -2.93 0.05 0.00 -0.42 0.00 0.00 57.16 53.88 1v5r n GLU 19 Cb 0.25 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1v5r n GLU 19 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1v5r s ASP 20 N -2.61 -0.44 0.45 1.62 1.01 -0.42 -3.88 116.67 112.40 1v5r s ASP 20 Ca 0.39 0.16 -0.23 0.00 0.71 0.00 0.00 52.55 53.57 1v5r s ASP 20 Cb 0.34 1.32 -0.08 0.00 1.01 0.00 0.00 42.92 45.52 1v5r s ASP 20 CO 0.02 -0.08 1.17 -2.16 0.21 0.00 0.00 175.17 174.33 1v5r s PRO 21 N 2.95 3.80 0.05 8.23 0.04 -1.26 -4.53 135.00 144.29 1v5r s PRO 21 Ca 0.12 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 1v5r s PRO 21 Cb -0.06 -2.45 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1v5r s PRO 21 CO -0.17 -0.52 1.41 -1.25 0.04 0.00 0.00 177.00 176.52 1v5r s PRO 22 N -2.63 4.29 -0.12 0.56 0.04 -1.25 -4.88 135.00 131.01 1v5r s PRO 22 Ca 0.62 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 63.33 1v5r s PRO 22 Cb -0.29 -3.46 -0.13 0.00 0.04 0.00 0.00 34.50 30.66 1v5r s PRO 22 CO 0.36 -0.53 1.79 0.00 0.04 0.00 0.00 177.00 178.65 1v5r h LYS 24 N 8.10 0.39 -5.43 0.00 1.57 -1.93 -3.47 116.57 115.80 1v5r h LYS 24 Ca -0.48 -0.67 -0.53 0.00 -1.87 0.00 0.00 60.65 57.11 1v5r h LYS 24 Cb 1.29 0.25 0.18 0.00 0.08 0.00 0.00 32.23 34.03 1v5r h LYS 24 CO 0.94 1.32 -1.27 0.00 -0.57 0.00 0.00 179.45 179.87 1v5r n PRO 26 N 1.68 0.49 -3.66 0.00 -0.04 -1.26 -4.49 135.00 127.72 1v5r n PRO 26 Ca 0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.29 1v5r n PRO 26 Cb 0.45 -1.30 -0.18 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.11 0.33 0.52 2.01 -1.26 -5.14 115.64 110.00 1v5r s THR 27 Ca 0.14 0.29 -0.28 0.00 0.31 0.00 0.00 61.69 62.15 1v5r s THR 27 Cb 0.06 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 72.23 1v5r s THR 27 CO 0.11 0.07 1.18 -0.75 -0.69 0.00 0.00 174.62 174.54 1v5r s LYS 28 N 2.17 4.37 1.05 4.92 2.47 -1.26 -4.98 119.74 128.47 1v5r s LYS 28 Ca 0.04 1.93 -0.15 0.00 -1.56 0.00 0.00 55.97 56.23 1v5r s LYS 28 Cb -0.13 -2.99 0.10 0.00 -1.46 0.00 0.00 37.83 33.35 1v5r s LYS 28 CO -0.04 -0.07 0.31 0.34 0.16 0.00 0.00 175.35 176.04 1v5r n PHE 29 N 0.71 -1.31 -3.11 4.03 -0.00 -1.26 -4.91 117.46 111.61 1v5r n PHE 29 Ca 0.01 0.16 -0.43 0.00 -0.00 0.00 0.00 57.45 57.19 1v5r n PHE 29 Cb 0.44 -1.68 -0.06 0.00 -0.00 0.00 0.00 39.48 38.18 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 2.84 0.33 -0.06 0.00 1.01 -1.23 -3.31 120.40 119.99 1v5r s VAL 31 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1v5r s VAL 31 Cb -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1v5r s VAL 31 CO 0.17 -0.43 -0.15 -0.70 0.00 0.00 0.00 175.10 173.99 1v5r s GLU 32 N 1.92 1.84 -0.20 2.72 2.56 -1.17 -4.90 118.70 121.47 1v5r s GLU 32 Ca 0.04 -0.54 -0.26 0.00 0.00 0.00 0.00 54.97 54.21 1v5r s GLU 32 Cb -0.17 -1.53 -0.01 0.00 2.00 0.00 0.00 34.13 34.42 1v5r s GLU 32 CO -0.18 0.14 0.88 0.50 -0.56 0.00 0.00 175.26 176.05 1v5r s ARG 33 N 0.33 4.27 -0.17 4.30 3.00 -1.26 0.05 118.95 129.46 1v5r s ARG 33 Ca -0.10 1.09 -0.05 0.00 -1.00 0.00 0.00 55.73 55.67 1v5r s ARG 33 Cb -0.14 -3.60 -0.09 0.00 0.00 0.00 0.00 34.95 31.12 1v5r s ARG 33 CO 0.03 -0.44 -0.19 1.28 0.00 0.00 0.00 175.30 175.98 1v5r n LEU 34 N 5.64 1.94 -4.16 -0.88 4.77 -0.69 -4.98 117.00 118.65 1v5r n LEU 34 Ca 0.06 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1v5r n LEU 34 Cb 0.48 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1v5r n LEU 34 CO 0.49 0.53 -0.04 -0.44 -1.33 0.00 0.00 177.39 176.60 1v5r s SER 35 N -6.16 0.68 0.25 -1.43 0.01 -0.98 -4.97 113.70 101.11 1v5r s SER 35 Ca -0.23 -1.43 -0.07 0.00 1.31 0.00 0.00 55.95 55.53 1v5r s SER 35 Cb 0.08 0.53 0.44 0.00 0.21 0.00 0.00 66.02 67.28 1v5r s SER 35 CO 0.33 -1.07 1.61 1.56 0.41 0.00 0.00 173.24 176.09 1v5r h GLN 36 N 2.31 0.05 -0.74 12.44 1.08 -1.98 -1.80 115.11 126.47 1v5r h GLN 36 Ca -0.30 -0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.36 1v5r h GLN 36 Cb 1.24 -0.01 -0.43 0.00 -0.05 0.00 0.00 27.48 28.23 1v5r h GLN 36 CO 0.42 0.04 -0.83 0.41 -0.95 0.00 0.00 178.83 177.92 1v5r n GLY 37 N -1.46 6.27 2.87 3.46 0.00 -1.26 -4.89 105.19 110.19 1v5r n GLY 37 Ca 0.14 -2.62 -0.13 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.61 0.03 0.00 1.61 3.52 -0.68 -1.14 118.95 118.68 1v5r s ARG 38 Ca 0.50 0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 56.02 1v5r s ARG 38 Cb 0.41 -0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 1v5r s ARG 38 CO 0.04 -0.07 0.48 0.71 -0.81 0.00 0.00 175.30 175.65 1v5r s TYR 39 N 0.45 -0.38 -0.09 5.12 1.51 -1.10 -1.70 117.35 121.16 1v5r s TYR 39 Ca -0.04 0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 56.30 1v5r s TYR 39 Cb -0.05 0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 42.03 1v5r s TYR 39 CO -0.01 -0.55 0.80 0.50 -1.11 0.00 0.00 175.55 175.18 1v5r s ARG 40 N -1.81 4.41 -0.11 -0.62 3.52 0.11 -2.89 118.95 121.55 1v5r s ARG 40 Ca -0.09 1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 56.54 1v5r s ARG 40 Cb -0.02 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1v5r s ARG 40 CO 0.03 -0.11 -0.06 0.08 -0.81 0.00 0.00 175.30 174.44 1v5r s VAL 41 N 1.35 0.89 -1.36 7.11 1.01 0.81 -3.06 120.40 127.14 1v5r s VAL 41 Ca 0.41 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1v5r s VAL 41 Cb -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1v5r s VAL 41 CO 0.18 0.32 0.47 0.61 0.00 0.00 0.00 175.10 176.67 1v5r n GLY 42 N 4.98 -0.36 3.64 4.51 0.00 -1.21 -0.78 105.19 115.97 1v5r n GLY 42 Ca -0.11 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.40 -7.67 -3.92 1.61 -0.58 -1.26 -4.99 120.64 99.42 1v5r n GLU 43 Ca -0.27 0.80 -0.09 0.00 -0.42 0.00 0.00 57.16 57.18 1v5r n GLU 43 Cb 0.67 -5.84 -0.09 0.00 -0.57 0.00 0.00 31.44 25.61 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 -6.34 0.63 -0.48 3.49 1.02 0.04 -5.11 119.74 112.99 1v5r s LYS 44 Ca 0.59 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.70 1v5r s LYS 44 Cb -0.26 0.25 0.12 0.00 -0.52 0.00 0.00 37.83 37.42 1v5r s LYS 44 CO 0.74 -0.16 0.34 0.42 -0.92 0.00 0.00 175.35 175.77 1v5r s ILE 45 N -2.81 4.14 0.05 2.17 -1.09 -1.26 -0.14 121.20 122.26 1v5r s ILE 45 Ca -0.03 -1.86 0.04 0.00 -2.23 0.00 0.00 60.65 56.57 1v5r s ILE 45 Cb 0.00 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1v5r s ILE 45 CO -0.05 -0.78 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.08 1v5r s LEU 46 N 1.28 3.30 -0.54 2.97 1.43 -1.14 -5.02 118.68 120.96 1v5r s LEU 46 Ca 0.06 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 1v5r s LEU 46 Cb -0.25 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.06 1v5r s LEU 46 CO -0.01 0.23 0.64 -0.36 0.23 0.00 0.00 176.35 177.08 1v5r s PHE 47 N -1.15 3.04 -0.12 0.29 0.40 -1.26 -2.70 117.98 116.48 1v5r s PHE 47 Ca 0.21 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.71 1v5r s PHE 47 Cb -0.11 -3.70 -0.05 0.00 0.51 0.00 0.00 43.02 39.67 1v5r s PHE 47 CO 0.13 -1.12 0.28 0.42 0.70 0.00 0.00 175.22 175.63 1v5r s ILE 48 N 2.61 5.29 0.28 0.64 1.01 -0.29 -0.96 121.20 129.77 1v5r s ILE 48 Ca 0.13 0.53 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1v5r s ILE 48 Cb -0.21 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1v5r s ILE 48 CO 0.10 0.48 0.01 -0.13 0.00 0.00 0.00 174.94 175.41 1v5r s ARG 49 N -0.22 1.50 -0.14 2.79 0.52 -0.31 -4.10 118.95 118.99 1v5r s ARG 49 Ca 0.17 -1.79 0.01 0.00 -0.52 0.00 0.00 55.73 53.60 1v5r s ARG 49 Cb -0.14 -0.79 0.02 0.00 0.52 0.00 0.00 34.95 34.56 1v5r s ARG 49 CO 0.06 -0.12 -0.15 1.41 0.02 0.00 0.00 175.30 176.52 1v5r s MET 50 N -3.86 2.29 -0.63 3.54 1.75 -1.26 -1.77 119.30 119.36 1v5r s MET 50 Ca 0.32 -0.57 -0.28 0.00 -1.25 0.00 0.00 55.69 53.92 1v5r s MET 50 Cb 0.07 -2.05 0.03 0.00 2.84 0.00 0.00 34.83 35.71 1v5r s MET 50 CO 0.12 -0.18 1.29 -0.51 -0.65 0.00 0.00 175.02 175.09 1v5r s LEU 51 N 1.32 3.33 -1.41 4.11 1.02 -0.42 -3.74 118.68 122.90 1v5r s LEU 51 Ca 0.01 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 1v5r s LEU 51 Cb -0.13 -2.91 0.02 0.00 0.02 0.00 0.00 46.19 43.18 1v5r s LEU 51 CO -0.08 -1.68 0.33 1.41 0.02 0.00 0.00 176.35 176.35 1v5r n HIS 52 N 9.12 -1.63 -3.84 0.29 8.25 -1.26 -1.20 115.22 124.94 1v5r n HIS 52 Ca 0.08 0.30 -0.30 0.00 -0.26 0.00 0.00 57.72 57.53 1v5r n HIS 52 Cb 0.49 -3.61 0.01 0.00 1.12 0.00 0.00 29.99 28.00 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 -2.21 -4.29 0.00 0.41 3.02 -1.25 -4.79 115.26 106.16 1v5r n ASN 53 Ca -0.12 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1v5r n ASN 53 Cb 0.61 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 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 -4.38 0.82 -4.33 3.52 4.81 -0.34 -5.04 118.16 113.22 1v5r n LYS 54 Ca 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.22 1v5r n LYS 54 Cb 0.52 -0.82 -0.13 0.00 0.02 0.00 0.00 35.03 34.63 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 -1.63 1.98 -0.35 5.64 3.76 -1.15 -4.97 115.29 118.57 1v5r s HIS 55 Ca 0.00 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 1v5r s HIS 55 Cb 0.00 -1.07 0.09 0.00 1.11 0.00 0.00 32.58 32.71 1v5r s HIS 55 CO 0.00 0.27 0.07 0.08 -0.85 0.00 0.00 174.74 174.31 1v5r s VAL 56 N -1.19 2.64 0.35 -0.90 1.01 -1.26 -1.30 120.40 119.75 1v5r s VAL 56 Ca 0.10 -2.09 0.08 0.00 0.00 0.00 0.00 61.98 60.07 1v5r s VAL 56 Cb -0.10 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1v5r s VAL 56 CO 0.05 -0.51 0.15 -0.04 0.00 0.00 0.00 175.10 174.75 1v5r s MET 57 N 1.03 2.36 0.23 2.72 -1.94 -0.73 -1.52 119.30 121.45 1v5r s MET 57 Ca 0.06 -1.58 0.06 0.00 -1.71 0.00 0.00 55.69 52.53 1v5r s MET 57 Cb -0.20 -2.16 -0.05 0.00 2.01 0.00 0.00 34.83 34.42 1v5r s MET 57 CO -0.06 0.08 -0.08 0.14 -0.01 0.00 0.00 175.02 175.09 1v5r s VAL 58 N -2.44 1.49 -0.41 -6.03 -7.23 -0.19 -1.16 120.40 104.43 1v5r s VAL 58 Ca 0.38 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1v5r s VAL 58 Cb -0.02 -2.24 0.08 0.00 0.56 0.00 0.00 36.38 34.75 1v5r s VAL 58 CO 0.23 -0.44 0.23 -0.60 -0.31 0.00 0.00 175.10 174.21 1v5r s ARG 59 N -3.73 2.55 -0.01 4.82 3.00 -0.14 -3.16 118.95 122.28 1v5r s ARG 59 Ca 0.26 -1.45 0.04 0.00 -1.00 0.00 0.00 55.73 53.58 1v5r s ARG 59 Cb 0.03 -3.71 -0.01 0.00 0.00 0.00 0.00 34.95 31.25 1v5r s ARG 59 CO 0.08 -0.92 -0.13 0.14 0.00 0.00 0.00 175.30 174.47 1v5r s VAL 60 N 1.40 1.05 -0.60 7.11 -7.23 -0.88 -4.11 120.40 117.14 1v5r s VAL 60 Ca 0.03 -0.56 -0.31 0.00 -1.81 0.00 0.00 61.98 59.33 1v5r s VAL 60 Cb -0.22 -0.89 -0.17 0.00 0.56 0.00 0.00 36.38 35.66 1v5r s VAL 60 CO 0.02 0.30 1.95 0.61 -0.31 0.00 0.00 175.10 177.66 1v5r n GLY 61 N 2.83 -0.25 0.00 2.32 0.00 -1.26 -0.70 105.19 108.13 1v5r n GLY 61 Ca -0.15 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 5.67 4.01 0.00 -0.02 0.00 -1.26 -5.07 105.19 108.52 1v5r n GLY 62 Ca 0.49 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1v5r n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5r n GLY 63 N 0.00 -0.69 3.08 -0.02 0.00 0.12 -5.14 105.19 102.53 1v5r n GLY 63 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1v5r n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1v5r s TRP 64 N -4.00 1.68 0.43 1.61 0.52 -1.26 -2.08 118.94 115.84 1v5r s TRP 64 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.55 1v5r s TRP 64 Cb 0.00 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1v5r s TRP 64 CO 0.00 -0.27 0.05 -1.83 0.02 0.00 0.00 176.95 174.92 1v5r s GLU 65 N 0.46 1.98 -0.37 4.98 -1.05 -1.19 -4.88 118.70 118.64 1v5r s GLU 65 Ca -0.13 -2.20 -0.29 0.00 -0.15 0.00 0.00 54.97 52.20 1v5r s GLU 65 Cb -0.15 -1.14 0.02 0.00 -0.44 0.00 0.00 34.13 32.42 1v5r s GLU 65 CO 0.04 -0.32 1.13 0.95 0.95 0.00 0.00 175.26 178.01 1v5r s THR 66 N -3.03 4.36 0.16 1.83 -4.23 -1.26 -1.02 115.64 112.45 1v5r s THR 66 Ca 0.21 1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 62.06 1v5r s THR 66 Cb 0.04 -4.44 0.09 0.00 1.34 0.00 0.00 72.50 69.53 1v5r s THR 66 CO 0.11 -0.65 1.20 0.33 -0.54 0.00 0.00 174.62 175.07 1v5r n PHE 67 N 7.29 -0.13 -0.34 3.99 7.35 -0.58 0.23 117.46 135.28 1v5r n PHE 67 Ca 0.12 0.96 0.11 0.00 -0.76 0.00 0.00 57.45 57.88 1v5r n PHE 67 Cb 0.48 -0.70 0.31 0.00 0.35 0.00 0.00 39.48 39.92 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 0.79 1.67 -0.64 3.13 0.00 -1.92 -0.73 119.26 121.57 1v5r h ALA 68 Ca 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1v5r h ALA 68 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1v5r h ALA 68 CO -0.75 0.02 0.17 0.78 0.00 0.00 0.00 179.25 179.47 1v5r h GLY 69 N 0.82 1.09 1.68 0.00 0.00 0.24 -0.48 103.07 106.42 1v5r h GLY 69 Ca 0.53 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1v5r h GLY 69 CO -0.31 0.62 -0.39 -1.82 0.00 0.00 0.00 176.54 174.65 1v5r h TYR 70 N 0.93 0.42 -0.08 5.60 5.03 -0.03 -2.69 116.97 126.15 1v5r h TYR 70 Ca 0.20 -0.11 -0.06 0.00 2.58 0.00 0.00 58.73 61.34 1v5r h TYR 70 Cb 0.33 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1v5r h TYR 70 CO 0.02 0.70 -0.20 1.25 -1.32 0.00 0.00 178.16 178.62 1v5r h LEU 71 N 0.30 0.30 -0.99 2.82 5.85 -0.94 -2.85 115.31 119.81 1v5r h LEU 71 Ca 0.03 -0.59 0.09 0.00 0.84 0.00 0.00 57.88 58.25 1v5r h LEU 71 Cb 0.82 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1v5r h LEU 71 CO 0.07 0.84 0.63 0.17 -0.34 0.00 0.00 178.44 179.80 1v5r h LEU 72 N -0.22 0.96 0.61 2.25 8.10 -1.06 0.17 115.31 126.13 1v5r h LEU 72 Ca -0.00 0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.99 1v5r h LEU 72 Cb 0.80 -0.17 0.01 0.00 -0.44 0.00 0.00 40.66 40.86 1v5r h LEU 72 CO 0.04 0.57 -0.29 0.11 -4.11 0.00 0.00 178.44 174.76 1v5r h LYS 73 N 1.07 -0.79 -0.75 0.17 1.57 -1.49 -3.16 116.57 113.19 1v5r h LYS 73 Ca 0.45 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.40 1v5r h LYS 73 Cb 0.31 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 1v5r h LYS 73 CO -0.22 -0.53 0.36 1.25 -0.57 0.00 0.00 179.45 179.75 1v5r h HIS 74 N -0.89 0.64 -3.15 -1.35 2.76 -1.34 -3.40 115.15 108.42 1v5r h HIS 74 Ca -0.08 0.03 -0.56 0.00 -2.20 0.00 0.00 60.37 57.56 1v5r h HIS 74 Cb 0.63 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 1v5r h HIS 74 CO 0.07 0.19 0.67 0.34 -1.30 0.00 0.00 177.93 177.90 1v5r s ASP 75 N -5.46 7.13 -0.02 3.26 -1.08 0.59 -4.96 116.67 116.13 1v5r s ASP 75 Ca -0.12 1.65 -0.23 0.00 -0.52 0.00 0.00 52.55 53.33 1v5r s ASP 75 Cb 0.19 -2.55 -0.15 0.00 -1.46 0.00 0.00 42.92 38.94 1v5r s ASP 75 CO 0.77 -0.55 1.02 1.55 0.52 0.00 0.00 175.17 178.48 1v5r h PRO 76 N 7.35 -0.36 -0.94 4.34 0.13 -1.78 -2.86 132.00 137.89 1v5r h PRO 76 Ca -0.31 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.04 1v5r h PRO 76 Cb 1.14 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1v5r h PRO 76 CO 0.88 -0.01 0.61 0.00 -0.23 0.00 0.00 178.00 179.25 1v5r h ARG 78 N 0.53 0.91 -0.87 0.00 3.08 -1.80 -2.97 114.38 113.25 1v5r h ARG 78 Ca 0.50 -0.28 0.21 0.00 0.07 0.00 0.00 59.98 60.49 1v5r h ARG 78 Cb 1.08 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.92 1v5r h ARG 78 CO -0.24 0.92 0.37 1.98 -1.07 0.00 0.00 179.97 181.93 1v5r h MET 79 N 0.79 0.38 -1.40 0.04 4.05 -0.69 -0.03 114.93 118.08 1v5r h MET 79 Ca 0.15 -0.02 0.42 0.00 -0.28 0.00 0.00 59.70 59.97 1v5r h MET 79 Cb 0.49 -0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.13 1v5r h MET 79 CO 0.02 0.25 0.99 1.28 0.23 0.00 0.00 176.91 179.68 1v5r n LEU 80 N -5.05 0.04 0.00 3.39 4.77 -1.12 -1.89 117.00 117.14 1v5r n LEU 80 Ca 0.21 0.83 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1v5r n LEU 80 Cb 0.62 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1v5r n LEU 80 CO 0.13 -0.85 0.29 0.00 -1.33 0.00 0.00 177.39 175.63 1v5r n GLN 81 N -3.64 0.00 0.00 3.23 6.02 -0.02 -4.46 117.38 118.51 1v5r n GLN 81 Ca 0.33 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 1v5r n GLN 81 Cb 1.46 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 31.81 1v5r n GLN 81 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1v5r n ILE 82 N -2.32 0.00 -4.22 5.09 5.41 -0.79 -5.05 119.36 117.48 1v5r n ILE 82 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 1v5r n ILE 82 Cb 0.00 -0.51 -0.06 0.00 -0.71 0.00 0.00 39.64 38.37 1v5r n ILE 82 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1v5r n SER 83 N -2.25 -0.82 0.05 4.38 2.88 -1.07 -4.85 113.62 111.94 1v5r n SER 83 Ca 0.00 -1.28 -0.13 0.00 -1.33 0.00 0.00 58.87 56.14 1v5r n SER 83 Cb 0.23 -1.68 -0.09 0.00 -0.75 0.00 0.00 64.21 61.92 1v5r n SER 83 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1v5r h ARG 84 N -2.09 -0.16 -5.60 -1.46 2.43 -1.96 -3.47 114.38 102.09 1v5r h ARG 84 Ca -0.68 0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 57.88 1v5r h ARG 84 Cb 1.40 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.90 1v5r h ARG 84 CO 0.64 0.23 -0.41 0.14 -1.51 0.00 0.00 179.97 179.06 1v5r s VAL 85 N -4.43 1.48 -0.04 0.20 -7.23 -1.26 -5.01 120.40 104.12 1v5r s VAL 85 Ca -0.15 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1v5r s VAL 85 Cb 0.02 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.63 1v5r s VAL 85 CO 0.61 0.00 2.79 -0.90 -0.31 0.00 0.00 175.10 177.29 1v5r n ASP 86 N -1.50 5.41 0.00 4.85 5.68 -1.26 -4.93 116.55 124.80 1v5r n ASP 86 Ca -0.10 -2.51 0.00 0.00 -0.50 0.00 0.00 54.79 51.68 1v5r n ASP 86 Cb 0.66 -1.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1v5r n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1v5r n GLY 87 N 1.88 1.38 3.57 6.12 0.00 -1.26 -4.66 105.19 112.23 1v5r n GLY 87 Ca 0.24 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 1v5r n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v5r s LYS 88 N 0.00 0.79 0.16 1.61 2.36 -1.26 -5.14 119.74 118.27 1v5r s LYS 88 Ca 0.00 0.38 -0.19 0.00 -2.55 0.00 0.00 55.97 53.61 1v5r s LYS 88 Cb 0.00 0.38 -0.12 0.00 -1.05 0.00 0.00 37.83 37.04 1v5r s LYS 88 CO 0.00 -0.21 0.31 2.41 1.55 0.00 0.00 175.35 179.41 1v5r n THR 89 N 1.30 1.24 -3.78 3.43 -1.04 -1.26 -4.90 114.28 109.27 1v5r n THR 89 Ca -0.14 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.05 61.17 1v5r n THR 89 Cb 0.57 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.97 1v5r n THR 89 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1v5r s SER 90 N -0.70 5.07 -0.58 8.00 0.15 -1.26 -5.05 113.70 119.33 1v5r s SER 90 Ca 0.44 -2.71 -0.27 0.00 0.70 0.00 0.00 55.95 54.11 1v5r s SER 90 Cb -0.61 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1v5r s SER 90 CO 0.40 -0.38 1.84 -2.16 1.20 0.00 0.00 173.24 174.14 1v5r s PRO 91 N 0.15 2.73 -0.26 5.44 0.04 -1.26 -4.92 135.00 136.92 1v5r s PRO 91 Ca 0.15 0.71 -0.34 0.00 0.04 0.00 0.00 61.00 61.56 1v5r s PRO 91 Cb -0.22 -4.36 -0.10 0.00 0.04 0.00 0.00 34.50 29.86 1v5r s PRO 91 CO -0.03 -2.60 2.11 0.45 0.04 0.00 0.00 177.00 176.96 1v5r n SER 92 N 12.36 2.65 -4.89 6.66 2.88 -1.26 -4.94 113.62 127.08 1v5r n SER 92 Ca 0.20 0.53 -0.35 0.00 -1.33 0.00 0.00 58.87 57.92 1v5r n SER 92 Cb 0.51 -1.34 -0.05 0.00 -0.75 0.00 0.00 64.21 62.58 1v5r n SER 92 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v5r s GLY 93 N 6.61 2.18 -0.37 0.46 0.00 -1.26 -5.04 107.32 109.90 1v5r s GLY 93 Ca 1.04 -0.67 -0.28 0.00 0.00 0.00 0.00 44.72 44.81 1v5r s GLY 93 CO 0.48 -0.47 1.72 2.56 0.00 0.00 0.00 173.10 177.39 1v5r s PRO 94 N -1.44 3.33 -0.30 2.90 0.04 -1.26 -4.94 135.00 133.33 1v5r s PRO 94 Ca 0.21 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1v5r s PRO 94 Cb -0.12 -4.18 0.14 0.00 0.04 0.00 0.00 34.50 30.38 1v5r s PRO 94 CO 0.11 -1.87 0.76 0.45 0.04 0.00 0.00 177.00 176.49 1v5r s SER 95 N 5.78 -0.97 0.03 6.66 0.15 -1.26 -5.17 113.70 118.92 1v5r s SER 95 Ca 0.75 1.33 -0.04 0.00 0.70 0.00 0.00 55.95 58.69 1v5r s SER 95 Cb -0.20 2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 66.20 1v5r s SER 95 CO 0.32 -0.19 0.05 -0.55 1.20 0.00 0.00 173.24 174.08 1v5r s SER 96 N 2.76 0.22 0.00 5.45 0.15 -1.26 -5.24 113.70 115.78 1v5r s SER 96 Ca -0.05 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1v5r s SER 96 Cb -0.10 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1v5r s SER 96 CO -0.19 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.41