#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 4.62 0.14 1.61 0.15 -1.26 -5.08 113.70 113.88 1v5r s SER 2 Ca 0.00 -0.63 -0.24 0.00 0.70 0.00 0.00 55.95 55.78 1v5r s SER 2 Cb 0.00 -1.77 0.07 0.00 -1.71 0.00 0.00 66.02 62.61 1v5r s SER 2 CO 0.00 -0.11 0.60 -0.55 1.20 0.00 0.00 173.24 174.38 1v5r s SER 3 N 1.45 -0.57 0.06 5.45 0.15 -1.26 -5.19 113.70 113.79 1v5r s SER 3 Ca 0.03 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1v5r s SER 3 Cb -0.16 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1v5r s SER 3 CO -0.01 -0.93 0.04 0.61 1.20 0.00 0.00 173.24 174.14 1v5r n GLY 4 N -0.26 3.88 3.34 9.45 0.00 -1.26 -5.19 105.19 115.16 1v5r n GLY 4 Ca -0.17 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 1v5r n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v5r s SER 5 N -1.38 1.61 -0.43 1.61 1.04 -1.26 -5.04 113.70 109.85 1v5r s SER 5 Ca 0.06 -1.58 -0.02 0.00 0.48 0.00 0.00 55.95 54.89 1v5r s SER 5 Cb 0.00 0.40 0.23 0.00 0.10 0.00 0.00 66.02 66.76 1v5r s SER 5 CO 0.04 -0.90 2.17 -1.54 0.98 0.00 0.00 173.24 173.99 1v5r n SER 6 N -0.99 6.74 -3.64 7.02 3.41 -1.26 -4.85 113.62 120.05 1v5r n SER 6 Ca 0.01 -3.25 -0.05 0.00 -0.26 0.00 0.00 58.87 55.32 1v5r n SER 6 Cb 0.65 -1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 63.45 1v5r n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v5r s GLY 7 N -0.20 0.20 -1.17 5.00 0.00 -1.26 -5.08 107.32 104.81 1v5r s GLY 7 Ca 0.43 3.25 -0.15 0.00 0.00 0.00 0.00 44.72 48.25 1v5r s GLY 7 CO -0.06 1.85 1.43 0.54 0.00 0.00 0.00 173.10 176.86 1v5r s ASN 8 N -0.01 6.95 -0.09 1.64 4.22 -1.26 -4.79 114.94 121.60 1v5r s ASN 8 Ca 0.06 -2.72 -0.26 0.00 -2.14 0.00 0.00 52.86 47.80 1v5r s ASN 8 Cb -0.05 -2.43 -0.22 0.00 1.28 0.00 0.00 41.25 39.83 1v5r s ASN 8 CO -0.13 -0.88 0.91 0.25 -2.04 0.00 0.00 177.10 175.21 1v5r h LEU 9 N 10.34 -0.02 -0.58 3.54 7.12 -1.98 -3.03 115.31 130.71 1v5r h LEU 9 Ca 0.31 -0.72 0.08 0.00 0.13 0.00 0.00 57.88 57.68 1v5r h LEU 9 Cb 0.90 0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 40.93 1v5r h LEU 9 CO 1.26 0.74 -0.48 0.25 -0.13 0.00 0.00 178.44 180.08 1v5r h LEU 10 N -0.82 -1.64 -0.14 2.25 5.85 -2.00 0.85 115.31 119.67 1v5r h LEU 10 Ca -0.00 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1v5r h LEU 10 Cb 0.74 0.73 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 1v5r h LEU 10 CO 0.00 -0.34 -0.17 0.44 -0.34 0.00 0.00 178.44 178.04 1v5r h ASP 11 N -0.25 -0.51 -0.63 1.25 5.19 -1.97 0.29 116.42 119.78 1v5r h ASP 11 Ca 0.15 0.09 0.13 0.00 -0.62 0.00 0.00 57.03 56.79 1v5r h ASP 11 Cb 0.56 0.24 -0.10 0.00 0.18 0.00 0.00 39.33 40.21 1v5r h ASP 11 CO -0.69 -0.21 0.06 0.44 -3.12 0.00 0.00 179.24 175.72 1v5r h ASP 12 N -0.20 -0.15 0.56 6.45 3.32 -1.05 0.13 116.42 125.48 1v5r h ASP 12 Ca 0.10 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1v5r h ASP 12 Cb 0.35 0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1v5r h ASP 12 CO -0.26 -0.07 -0.27 0.00 -1.72 0.00 0.00 179.24 176.92 1v5r h ALA 13 N 1.55 -0.98 -0.87 3.45 0.00 -0.22 -1.48 119.26 120.71 1v5r h ALA 13 Ca 0.34 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.31 1v5r h ALA 13 Cb 0.54 0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 1v5r h ALA 13 CO -0.49 -0.93 0.14 0.28 0.00 0.00 0.00 179.25 178.25 1v5r h VAL 14 N -0.91 0.26 -0.40 0.00 2.07 -0.71 0.81 116.25 117.38 1v5r h VAL 14 Ca -0.08 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1v5r h VAL 14 Cb 0.58 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1v5r h VAL 14 CO 0.13 0.03 0.02 0.50 0.02 0.00 0.00 177.57 178.27 1v5r h LYS 15 N 0.14 0.62 0.23 1.57 3.64 -0.72 -1.72 116.57 120.33 1v5r h LYS 15 Ca 0.53 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1v5r h LYS 15 Cb 1.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1v5r h LYS 15 CO -0.71 0.63 -0.11 -0.09 -2.27 0.00 0.00 179.45 176.90 1v5r h ARG 16 N 0.60 -0.30 -1.04 1.90 2.43 0.15 -2.45 114.38 115.66 1v5r h ARG 16 Ca 0.13 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.60 1v5r h ARG 16 Cb 0.34 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.84 1v5r h ARG 16 CO 0.01 -0.20 0.64 0.82 -1.51 0.00 0.00 179.97 179.73 1v5r h ILE 17 N -0.95 0.45 -0.05 1.20 2.04 -0.30 0.71 117.51 120.62 1v5r h ILE 17 Ca -0.03 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 1v5r h ILE 17 Cb 0.24 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1v5r h ILE 17 CO 0.05 0.08 -0.60 0.77 0.00 0.00 0.00 178.15 178.45 1v5r h SER 18 N 0.43 0.18 -0.80 1.72 4.64 -1.39 -3.06 113.55 115.26 1v5r h SER 18 Ca 0.66 -0.10 -0.45 0.00 -0.47 0.00 0.00 61.79 61.42 1v5r h SER 18 Cb 1.51 -0.05 -0.26 0.00 -0.31 0.00 0.00 62.40 63.29 1v5r h SER 18 CO -0.44 0.74 0.41 -0.62 -0.87 0.00 0.00 176.83 176.05 1v5r n GLU 19 N -3.86 2.27 -3.15 4.77 1.02 0.23 -4.53 120.64 117.38 1v5r n GLU 19 Ca -0.02 -3.17 0.05 0.00 -0.02 0.00 0.00 57.16 54.00 1v5r n GLU 19 Cb 0.61 -2.10 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.86 -0.39 0.43 1.62 2.15 0.14 -3.89 116.67 114.87 1v5r s ASP 20 Ca 0.55 0.14 -0.24 0.00 0.43 0.00 0.00 52.55 53.43 1v5r s ASP 20 Cb 0.46 1.29 -0.08 0.00 -0.30 0.00 0.00 42.92 44.29 1v5r s ASP 20 CO 0.05 -0.07 1.18 -2.16 -0.17 0.00 0.00 175.17 174.00 1v5r s PRO 21 N 2.96 3.88 0.15 4.34 0.04 -1.26 -4.50 135.00 140.62 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 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 1v5r s PRO 21 CO -0.16 -0.46 1.33 -1.25 0.04 0.00 0.00 177.00 176.50 1v5r s PRO 22 N -2.52 4.36 -0.06 0.56 0.04 -1.25 -4.91 135.00 131.22 1v5r s PRO 22 Ca 0.61 2.04 -0.34 0.00 0.04 0.00 0.00 61.00 63.34 1v5r s PRO 22 Cb -0.30 -3.23 -0.12 0.00 0.04 0.00 0.00 34.50 30.89 1v5r s PRO 22 CO 0.37 -0.33 1.86 0.00 0.04 0.00 0.00 177.00 178.94 1v5r h LYS 24 N 8.94 0.31 -4.97 0.00 1.79 -1.92 -3.45 116.57 117.26 1v5r h LYS 24 Ca -0.48 -0.25 -0.49 0.00 -2.18 0.00 0.00 60.65 57.25 1v5r h LYS 24 Cb 1.27 0.05 0.16 0.00 -1.58 0.00 0.00 32.23 32.13 1v5r h LYS 24 CO 0.94 0.89 -1.08 0.00 -1.08 0.00 0.00 179.45 179.12 1v5r n PRO 26 N 1.42 0.49 -3.58 0.00 -0.04 -1.26 -4.13 135.00 127.90 1v5r n PRO 26 Ca 0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 1v5r n PRO 26 Cb 0.41 -1.41 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.76 0.28 0.52 2.01 -1.26 -5.12 115.64 110.84 1v5r s THR 27 Ca 0.19 -2.15 -0.29 0.00 0.31 0.00 0.00 61.69 59.75 1v5r s THR 27 Cb 0.09 -1.54 -0.14 0.00 0.01 0.00 0.00 72.50 70.91 1v5r s THR 27 CO 0.15 -0.95 1.06 1.17 -0.69 0.00 0.00 174.62 175.36 1v5r n LYS 28 N 3.76 1.43 -0.96 4.92 3.00 -1.26 -4.88 118.16 124.16 1v5r n LYS 28 Ca 0.11 0.50 -0.34 0.00 -0.00 0.00 0.00 58.31 58.58 1v5r n LYS 28 Cb 0.36 -1.91 0.09 0.00 0.00 0.00 0.00 35.03 33.57 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 0.42 -1.97 -3.09 5.64 -0.00 -1.26 -4.90 117.46 112.29 1v5r n PHE 29 Ca 0.10 0.22 -0.43 0.00 -0.00 0.00 0.00 57.45 57.34 1v5r n PHE 29 Cb 0.32 -1.76 -0.06 0.00 -0.00 0.00 0.00 39.48 37.98 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 2.89 0.70 0.11 0.00 1.01 -1.23 -3.11 120.40 120.76 1v5r s VAL 31 Ca 0.20 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1v5r s VAL 31 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1v5r s VAL 31 CO 0.16 -0.34 -0.19 -0.70 0.00 0.00 0.00 175.10 174.03 1v5r s GLU 32 N 1.76 1.10 -0.22 2.72 2.56 -1.19 -4.94 118.70 120.49 1v5r s GLU 32 Ca 0.02 -1.17 -0.15 0.00 0.00 0.00 0.00 54.97 53.67 1v5r s GLU 32 Cb -0.17 -1.28 -0.04 0.00 2.00 0.00 0.00 34.13 34.63 1v5r s GLU 32 CO -0.13 0.29 0.36 0.50 -0.56 0.00 0.00 175.26 175.72 1v5r s ARG 33 N -2.04 4.12 -0.16 4.30 3.00 -1.26 -1.30 118.95 125.61 1v5r s ARG 33 Ca 0.07 0.10 -0.08 0.00 -1.00 0.00 0.00 55.73 54.81 1v5r s ARG 33 Cb -0.09 -3.56 -0.07 0.00 0.00 0.00 0.00 34.95 31.23 1v5r s ARG 33 CO 0.04 -0.08 -0.21 1.28 0.00 0.00 0.00 175.30 176.34 1v5r n LEU 34 N 4.64 1.13 -4.08 -0.88 4.77 -0.81 -5.00 117.00 116.77 1v5r n LEU 34 Ca -0.09 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1v5r n LEU 34 Cb 0.51 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1v5r n LEU 34 CO 0.39 0.31 0.05 -0.44 -1.33 0.00 0.00 177.39 176.36 1v5r s SER 35 N -6.42 0.27 -0.92 -1.43 0.01 -1.07 -4.98 113.70 99.16 1v5r s SER 35 Ca -0.22 -1.21 -0.26 0.00 1.31 0.00 0.00 55.95 55.56 1v5r s SER 35 Cb 0.08 0.55 -0.24 0.00 0.21 0.00 0.00 66.02 66.62 1v5r s SER 35 CO 0.28 -1.10 2.00 0.00 0.41 0.00 0.00 173.24 174.84 1v5r n GLN 36 N -0.40 0.08 0.00 12.44 0.00 -1.26 -1.10 117.38 127.14 1v5r n GLN 36 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 57.00 55.46 1v5r n GLN 36 Cb 0.63 -3.65 0.00 0.00 0.00 0.00 0.00 30.24 27.22 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1v5r n GLY 37 N 5.93 0.86 3.72 2.61 0.00 -1.26 -5.02 105.19 112.03 1v5r n GLY 37 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 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 4.43 -0.04 1.61 3.52 -0.26 0.66 118.95 128.88 1v5r s ARG 38 Ca 0.00 0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 56.38 1v5r s ARG 38 Cb 0.00 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1v5r s ARG 38 CO 0.00 0.10 0.20 0.71 -0.81 0.00 0.00 175.30 175.50 1v5r s TYR 39 N 0.69 -0.13 -0.22 5.12 1.51 -1.16 -1.93 117.35 121.23 1v5r s TYR 39 Ca 0.37 0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 56.42 1v5r s TYR 39 Cb -0.18 0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.71 1v5r s TYR 39 CO 0.18 -0.22 0.97 0.50 -1.11 0.00 0.00 175.55 175.87 1v5r s ARG 40 N -0.65 4.25 -0.25 -0.62 3.52 -0.42 -3.03 118.95 121.75 1v5r s ARG 40 Ca -0.07 1.22 0.01 0.00 -0.13 0.00 0.00 55.73 56.76 1v5r s ARG 40 Cb -0.04 -3.63 0.06 0.00 -1.56 0.00 0.00 34.95 29.78 1v5r s ARG 40 CO 0.01 -0.56 -0.05 0.08 -0.81 0.00 0.00 175.30 173.98 1v5r s VAL 41 N 2.97 1.62 -1.29 7.11 1.01 0.60 -3.16 120.40 129.25 1v5r s VAL 41 Ca 0.41 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1v5r s VAL 41 Cb -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1v5r s VAL 41 CO 0.07 -0.15 0.84 0.61 0.00 0.00 0.00 175.10 176.47 1v5r n GLY 42 N 4.63 -0.34 3.10 4.51 0.00 -1.18 -1.76 105.19 114.14 1v5r n GLY 42 Ca -0.11 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.29 -5.43 -3.80 1.61 4.71 -1.26 -4.99 120.64 107.18 1v5r n GLU 43 Ca -0.26 0.86 -0.13 0.00 -0.01 0.00 0.00 57.16 57.63 1v5r n GLU 43 Cb 0.66 -5.70 -0.13 0.00 -1.01 0.00 0.00 31.44 25.26 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1v5r s LYS 44 N -5.80 0.13 -0.41 3.49 1.02 -0.72 -5.12 119.74 112.31 1v5r s LYS 44 Ca 0.36 0.24 -0.22 0.00 0.02 0.00 0.00 55.97 56.36 1v5r s LYS 44 Cb -0.16 -0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 1v5r s LYS 44 CO 0.44 -0.07 0.73 0.42 -0.92 0.00 0.00 175.35 175.96 1v5r s ILE 45 N 0.43 4.74 -0.04 2.17 -1.09 -1.26 -0.29 121.20 125.86 1v5r s ILE 45 Ca -0.03 0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1v5r s ILE 45 Cb -0.04 -4.24 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1v5r s ILE 45 CO -0.02 -0.57 -0.22 -0.76 -1.23 0.00 0.00 174.94 172.14 1v5r s LEU 46 N 3.07 2.02 -0.61 2.97 1.43 -1.17 -5.02 118.68 121.38 1v5r s LEU 46 Ca 0.28 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.68 1v5r s LEU 46 Cb -0.13 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.94 1v5r s LEU 46 CO 0.19 0.23 1.13 -0.36 0.23 0.00 0.00 176.35 177.77 1v5r s PHE 47 N -0.22 2.60 -0.25 0.29 0.08 -1.26 -2.99 117.98 116.24 1v5r s PHE 47 Ca 0.00 0.16 -0.17 0.00 0.12 0.00 0.00 56.93 57.04 1v5r s PHE 47 Cb -0.11 -4.41 -0.03 0.00 -0.57 0.00 0.00 43.02 37.90 1v5r s PHE 47 CO 0.02 -1.62 0.48 0.42 -0.10 0.00 0.00 175.22 174.42 1v5r s ILE 48 N 4.77 5.10 0.38 0.64 1.01 0.21 -0.82 121.20 132.50 1v5r s ILE 48 Ca 0.37 0.83 0.08 0.00 0.00 0.00 0.00 60.65 61.93 1v5r s ILE 48 Cb -0.09 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 1v5r s ILE 48 CO 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 174.94 175.25 1v5r s ARG 49 N 2.06 1.89 0.02 2.79 1.70 -0.27 -4.35 118.95 122.79 1v5r s ARG 49 Ca 0.21 -2.03 0.07 0.00 -0.47 0.00 0.00 55.73 53.50 1v5r s ARG 49 Cb -0.16 -1.64 -0.03 0.00 -0.57 0.00 0.00 34.95 32.55 1v5r s ARG 49 CO 0.09 0.02 -0.20 -1.64 -1.08 0.00 0.00 175.30 172.50 1v5r s MET 50 N -3.67 2.08 -0.66 3.89 -1.94 -1.26 -1.17 119.30 116.57 1v5r s MET 50 Ca 0.34 -0.96 -0.13 0.00 -1.71 0.00 0.00 55.69 53.23 1v5r s MET 50 Cb 0.07 -2.16 0.17 0.00 2.01 0.00 0.00 34.83 34.91 1v5r s MET 50 CO 0.17 0.55 0.58 -0.51 -0.01 0.00 0.00 175.02 175.80 1v5r s LEU 51 N -1.24 6.26 -1.88 -0.03 1.43 0.45 -4.49 118.68 119.18 1v5r s LEU 51 Ca 0.13 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 1v5r s LEU 51 Cb -0.10 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1v5r s LEU 51 CO 0.04 -0.67 0.00 1.41 0.23 0.00 0.00 176.35 177.36 1v5r n HIS 52 N 4.50 -0.51 -3.07 0.29 8.25 -1.26 -1.68 115.22 121.73 1v5r n HIS 52 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 1v5r n HIS 52 Cb 0.43 -3.60 0.04 0.00 1.12 0.00 0.00 29.99 27.98 1v5r n HIS 52 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1v5r n ASN 53 N -1.51 -6.06 0.00 0.41 5.15 -1.26 -4.83 115.26 107.15 1v5r n ASN 53 Ca -0.22 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1v5r n ASN 53 Cb 0.67 -4.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1v5r n LYS 54 N -4.09 0.00 -4.42 1.20 4.81 -0.68 -5.08 118.16 109.90 1v5r n LYS 54 Ca -0.10 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.07 1v5r n LYS 54 Cb 0.61 -0.80 -0.13 0.00 0.02 0.00 0.00 35.03 34.74 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 -1.62 2.09 -0.36 5.64 3.76 -1.16 -4.97 115.29 118.68 1v5r s HIS 55 Ca 0.00 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.44 1v5r s HIS 55 Cb 0.00 -1.16 0.05 0.00 1.11 0.00 0.00 32.58 32.58 1v5r s HIS 55 CO 0.00 0.25 0.15 0.08 -0.85 0.00 0.00 174.74 174.37 1v5r s VAL 56 N -1.05 3.93 0.35 -0.90 1.01 -1.26 -0.41 120.40 122.07 1v5r s VAL 56 Ca 0.11 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.97 1v5r s VAL 56 Cb -0.10 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1v5r s VAL 56 CO 0.05 -0.27 0.26 -0.04 0.00 0.00 0.00 175.10 175.10 1v5r s MET 57 N 1.41 2.60 0.21 2.72 -1.94 -0.32 -0.38 119.30 123.60 1v5r s MET 57 Ca 0.00 -1.40 0.02 0.00 -1.71 0.00 0.00 55.69 52.60 1v5r s MET 57 Cb -0.20 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.21 1v5r s MET 57 CO 0.03 0.06 0.04 0.14 -0.01 0.00 0.00 175.02 175.27 1v5r s VAL 58 N -2.36 0.65 -0.27 -6.03 -7.23 -0.29 -1.11 120.40 103.75 1v5r s VAL 58 Ca 0.41 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 1v5r s VAL 58 Cb -0.04 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1v5r s VAL 58 CO 0.26 -0.29 0.09 -0.60 -0.31 0.00 0.00 175.10 174.25 1v5r s ARG 59 N -3.96 3.44 -0.06 4.82 6.06 -0.00 -3.25 118.95 126.00 1v5r s ARG 59 Ca 0.29 -0.63 -0.08 0.00 -2.50 0.00 0.00 55.73 52.81 1v5r s ARG 59 Cb 0.07 -3.38 0.02 0.00 0.06 0.00 0.00 34.95 31.71 1v5r s ARG 59 CO 0.08 -0.30 0.22 0.14 -2.50 0.00 0.00 175.30 172.93 1v5r s VAL 60 N 1.58 0.02 -0.96 7.11 -7.23 -1.09 -4.16 120.40 115.67 1v5r s VAL 60 Ca 0.05 -0.19 -0.21 0.00 -1.81 0.00 0.00 61.98 59.82 1v5r s VAL 60 Cb -0.16 -0.37 -0.26 0.00 0.56 0.00 0.00 36.38 36.15 1v5r s VAL 60 CO 0.04 -0.10 2.39 0.61 -0.31 0.00 0.00 175.10 177.72 1v5r n GLY 61 N 2.49 -0.48 0.00 2.32 0.00 -1.26 -0.81 105.19 107.46 1v5r n GLY 61 Ca -0.16 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 5.87 3.08 0.00 -0.02 0.00 -1.26 -5.09 105.19 107.77 1v5r n GLY 62 Ca 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.49 2.88 -0.02 0.00 0.01 -5.12 105.19 102.45 1v5r n GLY 63 Ca 0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.25 0.77 0.37 1.61 0.52 -1.26 -2.68 118.94 117.02 1v5r s TRP 64 Ca 0.00 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 55.95 1v5r s TRP 64 Cb 0.00 -0.71 -0.07 0.00 -1.15 0.00 0.00 33.47 31.54 1v5r s TRP 64 CO 0.00 -0.22 0.04 -1.83 0.02 0.00 0.00 176.95 174.95 1v5r s GLU 65 N 1.10 1.82 -0.27 4.98 -1.05 -1.20 -4.87 118.70 119.20 1v5r s GLU 65 Ca -0.08 -2.02 -0.29 0.00 -0.15 0.00 0.00 54.97 52.43 1v5r s GLU 65 Cb -0.14 -1.25 -0.01 0.00 -0.44 0.00 0.00 34.13 32.30 1v5r s GLU 65 CO -0.01 -0.13 1.36 0.95 0.95 0.00 0.00 175.26 178.38 1v5r s THR 66 N -3.01 4.06 0.08 1.83 -4.23 -1.26 -1.14 115.64 111.98 1v5r s THR 66 Ca 0.35 1.21 -0.16 0.00 -1.18 0.00 0.00 61.69 61.92 1v5r s THR 66 Cb 0.09 -4.04 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1v5r s THR 66 CO 0.16 -0.40 1.03 0.33 -0.54 0.00 0.00 174.62 175.21 1v5r n PHE 67 N 7.67 -0.22 -0.34 3.99 7.35 0.48 0.23 117.46 136.61 1v5r n PHE 67 Ca 0.15 0.63 0.26 0.00 -0.76 0.00 0.00 57.45 57.73 1v5r n PHE 67 Cb 0.46 -0.50 0.54 0.00 0.35 0.00 0.00 39.48 40.33 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 -0.00 2.35 -0.46 3.13 0.00 -1.92 0.25 119.26 122.60 1v5r h ALA 68 Ca 0.08 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1v5r h ALA 68 Cb 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1v5r h ALA 68 CO -0.47 -0.80 -0.20 0.78 0.00 0.00 0.00 179.25 178.56 1v5r h GLY 69 N 0.32 1.03 1.50 0.00 0.00 0.25 -2.11 103.07 104.06 1v5r h GLY 69 Ca 0.64 -0.91 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1v5r h GLY 69 CO -0.32 0.83 -0.48 -1.82 0.00 0.00 0.00 176.54 174.75 1v5r h TYR 70 N 0.80 0.66 0.13 5.60 5.03 0.77 -2.75 116.97 127.21 1v5r h TYR 70 Ca 0.11 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 61.20 1v5r h TYR 70 Cb 0.77 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1v5r h TYR 70 CO 0.05 0.92 -0.06 1.25 -1.32 0.00 0.00 178.16 179.00 1v5r h LEU 71 N 0.43 -0.15 -1.54 2.82 5.85 -1.01 -2.84 115.31 118.86 1v5r h LEU 71 Ca 0.02 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1v5r h LEU 71 Cb 1.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1v5r h LEU 71 CO 0.09 0.14 0.43 0.17 -0.34 0.00 0.00 178.44 178.93 1v5r h LEU 72 N -0.45 0.47 0.85 2.25 8.10 -1.41 0.23 115.31 125.35 1v5r h LEU 72 Ca -0.02 0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 1v5r h LEU 72 Cb 0.36 -0.09 0.01 0.00 -0.44 0.00 0.00 40.66 40.50 1v5r h LEU 72 CO 0.03 0.29 -0.44 0.11 -4.11 0.00 0.00 178.44 174.32 1v5r h LYS 73 N 0.53 -1.14 -0.04 0.17 1.57 -1.31 -3.25 116.57 113.09 1v5r h LYS 73 Ca 0.29 0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1v5r h LYS 73 Cb 0.45 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1v5r h LYS 73 CO -0.09 -0.76 0.01 0.45 -0.57 0.00 0.00 179.45 178.49 1v5r h HIS 74 N -1.19 0.07 -2.41 -1.35 3.86 -1.26 -3.42 115.15 109.46 1v5r h HIS 74 Ca -0.12 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.53 1v5r h HIS 74 Cb 0.92 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1v5r h HIS 74 CO -0.01 0.28 1.24 0.34 0.86 0.00 0.00 177.93 180.64 1v5r s ASP 75 N -5.49 6.27 -0.02 2.45 -1.08 0.78 -4.90 116.67 114.68 1v5r s ASP 75 Ca -0.14 2.24 -0.26 0.00 -0.52 0.00 0.00 52.55 53.87 1v5r s ASP 75 Cb 0.05 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.78 1v5r s ASP 75 CO 0.68 -1.26 1.24 1.55 0.52 0.00 0.00 175.17 177.90 1v5r h PRO 76 N 11.36 -0.04 -0.60 4.34 0.13 -1.81 -2.87 132.00 142.50 1v5r h PRO 76 Ca -0.43 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.86 1v5r h PRO 76 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1v5r h PRO 76 CO 0.96 0.43 0.43 0.00 -0.23 0.00 0.00 178.00 179.58 1v5r h ARG 78 N 0.10 0.34 -1.52 0.00 3.08 -1.82 -3.09 114.38 111.46 1v5r h ARG 78 Ca 0.29 -0.22 0.44 0.00 0.07 0.00 0.00 59.98 60.57 1v5r h ARG 78 Cb 1.01 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.02 1v5r h ARG 78 CO -0.03 0.81 1.31 0.52 -1.07 0.00 0.00 179.97 181.51 1v5r h MET 79 N -0.08 0.00 -0.64 0.04 2.86 -0.99 0.58 114.93 116.70 1v5r h MET 79 Ca 0.01 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1v5r h MET 79 Cb 0.79 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.37 1v5r h MET 79 CO 0.05 0.00 0.24 -0.07 1.06 0.00 0.00 176.91 178.19 1v5r h LEU 80 N 0.00 0.23 -9.40 1.22 3.38 -1.59 -3.43 115.31 105.71 1v5r h LEU 80 Ca 0.72 0.09 -0.58 0.00 0.09 0.00 0.00 57.88 58.20 1v5r h LEU 80 Cb 3.34 0.07 0.18 0.00 0.09 0.00 0.00 40.66 44.33 1v5r h LEU 80 CO -0.01 0.13 -0.58 0.00 0.09 0.00 0.00 178.44 178.07 1v5r n GLN 81 N -5.00 0.37 -2.19 1.13 10.64 0.20 -4.85 117.38 117.68 1v5r n GLN 81 Ca 0.10 0.15 -0.42 0.00 -1.83 0.00 0.00 57.00 54.99 1v5r n GLN 81 Cb 0.30 -1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 28.10 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 -1.80 3.51 0.01 -0.39 1.09 -1.26 -4.98 121.20 117.38 1v5r s ILE 82 Ca 0.65 1.00 -0.30 0.00 -1.10 0.00 0.00 60.65 60.91 1v5r s ILE 82 Cb -0.44 -3.64 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 1v5r s ILE 82 CO 0.58 0.04 1.12 -0.44 -0.10 0.00 0.00 174.94 176.13 1v5r s SER 83 N 1.55 7.18 0.14 3.58 0.01 -1.26 -5.03 113.70 119.87 1v5r s SER 83 Ca 0.65 1.83 0.01 0.00 1.31 0.00 0.00 55.95 59.74 1v5r s SER 83 Cb -0.34 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.27 1v5r s SER 83 CO 0.29 -0.42 0.01 0.00 0.41 0.00 0.00 173.24 173.53 1v5r s ARG 84 N 1.32 0.98 0.15 12.44 1.04 -1.26 -5.18 118.95 128.45 1v5r s ARG 84 Ca 0.55 -1.46 -0.05 0.00 -1.04 0.00 0.00 55.73 53.73 1v5r s ARG 84 Cb -0.25 -0.04 -0.02 0.00 -2.04 0.00 0.00 34.95 32.59 1v5r s ARG 84 CO 0.27 -0.17 0.18 0.14 -0.04 0.00 0.00 175.30 175.68 1v5r s VAL 85 N -3.81 0.08 -0.16 4.99 -7.23 -1.26 -5.09 120.40 107.91 1v5r s VAL 85 Ca 0.22 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.61 1v5r s VAL 85 Cb 0.07 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 1v5r s VAL 85 CO 0.01 -0.36 -0.05 0.47 -0.31 0.00 0.00 175.10 174.86 1v5r n ASP 86 N -0.16 1.83 0.00 4.85 8.00 -1.26 -5.11 116.55 124.69 1v5r n ASP 86 Ca -0.06 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1v5r n ASP 86 Cb 0.63 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1v5r n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v5r n GLY 87 N 1.55 -0.61 2.70 0.44 0.00 -1.26 -5.09 105.19 102.91 1v5r n GLY 87 Ca -0.16 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1v5r n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5r s LYS 88 N -1.10 0.84 -0.18 1.61 1.02 -1.26 -5.08 119.74 115.59 1v5r s LYS 88 Ca 0.00 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 54.59 1v5r s LYS 88 Cb 0.00 -1.99 0.09 0.00 -0.52 0.00 0.00 37.83 35.40 1v5r s LYS 88 CO 0.00 -1.06 0.35 0.99 -0.92 0.00 0.00 175.35 174.71 1v5r s THR 89 N 1.22 -0.55 0.14 2.17 2.01 -1.26 -5.13 115.64 114.24 1v5r s THR 89 Ca 0.13 0.17 -0.34 0.00 0.31 0.00 0.00 61.69 61.96 1v5r s THR 89 Cb -0.20 -0.60 -0.17 0.00 0.01 0.00 0.00 72.50 71.54 1v5r s THR 89 CO -0.16 0.06 1.05 -1.20 -0.69 0.00 0.00 174.62 173.68 1v5r n SER 90 N 5.37 0.69 -4.74 3.53 7.64 -1.26 -4.87 113.62 119.98 1v5r n SER 90 Ca -0.07 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.54 1v5r n SER 90 Cb 0.50 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.55 1v5r n SER 90 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1v5r s PRO 91 N -0.37 4.39 -0.40 1.43 0.04 -1.26 -4.94 135.00 133.89 1v5r s PRO 91 Ca 0.76 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.56 1v5r s PRO 91 Cb -0.95 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 30.37 1v5r s PRO 91 CO 0.54 -0.24 1.81 -1.54 0.04 0.00 0.00 177.00 177.60 1v5r s SER 92 N 0.32 5.74 0.74 6.66 1.04 -1.26 -4.94 113.70 121.99 1v5r s SER 92 Ca 0.56 1.04 -0.17 0.00 0.48 0.00 0.00 55.95 57.87 1v5r s SER 92 Cb -0.36 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.13 1v5r s SER 92 CO 0.38 -1.88 -0.07 0.61 0.98 0.00 0.00 173.24 173.26 1v5r n GLY 93 N 5.48 -3.00 3.77 7.32 0.00 -1.26 -4.88 105.19 112.61 1v5r n GLY 93 Ca 0.22 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1v5r n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5r s PRO 94 N -2.00 4.19 -0.10 1.61 0.04 -1.26 -5.02 135.00 132.46 1v5r s PRO 94 Ca 0.55 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.39 1v5r s PRO 94 Cb -0.35 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1v5r s PRO 94 CO 0.68 -0.23 0.35 -1.12 0.04 0.00 0.00 177.00 176.72 1v5r s SER 95 N -0.93 6.58 0.49 6.66 0.01 -1.26 -5.09 113.70 120.16 1v5r s SER 95 Ca 0.54 0.69 0.04 0.00 1.31 0.00 0.00 55.95 58.52 1v5r s SER 95 Cb -0.33 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1v5r s SER 95 CO 0.43 0.17 0.08 -0.94 0.41 0.00 0.00 173.24 173.40 1v5r s SER 96 N -0.07 4.19 0.00 2.44 1.04 -1.26 -5.10 113.70 114.94 1v5r s SER 96 Ca 0.20 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1v5r s SER 96 Cb -0.14 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1v5r s SER 96 CO 0.08 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.12