#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5r h SER 2 N 0.00 -0.34 -3.20 1.61 0.87 -2.06 -3.45 113.55 106.97 1v5r h SER 2 Ca 0.00 -0.19 -0.53 0.00 -1.23 0.00 0.00 61.79 59.84 1v5r h SER 2 Cb 0.00 0.09 0.22 0.00 -0.44 0.00 0.00 62.40 62.27 1v5r h SER 2 CO 0.00 0.05 -0.72 -0.24 -0.53 0.00 0.00 176.83 175.39 1v5r n SER 3 N -5.11 -2.41 -1.32 6.23 2.88 -1.26 -5.00 113.62 107.64 1v5r n SER 3 Ca -0.09 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1v5r n SER 3 Cb 0.26 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1v5r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5r n GLY 4 N 1.70 0.89 1.75 0.46 0.00 -1.26 -5.01 105.19 103.71 1v5r n GLY 4 Ca 0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.45 5.70 -4.47 1.61 2.88 -1.26 -4.76 113.62 112.86 1v5r n SER 5 Ca 0.00 -2.64 -0.40 0.00 -1.33 0.00 0.00 58.87 54.50 1v5r n SER 5 Cb 0.07 -1.16 -0.08 0.00 -0.75 0.00 0.00 64.21 62.29 1v5r n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v5r n SER 6 N 1.32 -1.33 0.00 -3.46 2.88 -1.26 -4.81 113.62 106.96 1v5r n SER 6 Ca 0.18 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 1v5r n SER 6 Cb 0.59 -1.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1v5r n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5r n GLY 7 N -1.42 2.41 2.96 0.46 0.00 -1.26 -5.10 105.19 103.23 1v5r n GLY 7 Ca 0.01 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1v5r n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5r s ASN 8 N 0.00 4.77 0.01 1.61 4.22 -1.26 -4.93 114.94 119.36 1v5r s ASN 8 Ca 0.00 -3.43 -0.23 0.00 -2.14 0.00 0.00 52.86 47.06 1v5r s ASN 8 Cb 0.00 -1.68 -0.17 0.00 1.28 0.00 0.00 41.25 40.68 1v5r s ASN 8 CO 0.00 -0.17 1.32 -0.07 -2.04 0.00 0.00 177.10 176.13 1v5r h LEU 9 N 6.02 0.19 -0.79 3.54 -0.00 -1.98 -3.15 115.31 119.13 1v5r h LEU 9 Ca 0.04 -0.47 0.08 0.00 -0.00 0.00 0.00 57.88 57.54 1v5r h LEU 9 Cb 0.83 -0.05 -0.11 0.00 -0.00 0.00 0.00 40.66 41.33 1v5r h LEU 9 CO 0.72 0.62 -0.55 0.25 -0.00 0.00 0.00 178.44 179.48 1v5r h LEU 10 N -0.24 -1.96 -0.18 1.67 5.85 -1.95 -0.67 115.31 117.82 1v5r h LEU 10 Ca 0.01 0.30 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1v5r h LEU 10 Cb 0.56 0.86 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 1v5r h LEU 10 CO 0.02 -0.30 -0.39 -0.78 -0.34 0.00 0.00 178.44 176.66 1v5r h ASP 11 N -0.14 -1.22 -0.98 1.25 3.58 -1.90 -0.05 116.42 116.95 1v5r h ASP 11 Ca 0.15 0.17 0.31 0.00 0.42 0.00 0.00 57.03 58.08 1v5r h ASP 11 Cb 0.49 0.51 -0.18 0.00 1.72 0.00 0.00 39.33 41.88 1v5r h ASP 11 CO -0.82 -0.39 0.19 -0.78 -2.88 0.00 0.00 179.24 174.55 1v5r h ASP 12 N -0.43 -0.22 0.38 2.28 1.82 -1.10 0.31 116.42 119.46 1v5r h ASP 12 Ca 0.10 0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.98 1v5r h ASP 12 Cb 0.59 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1v5r h ASP 12 CO -0.41 -0.36 -0.18 0.00 -1.61 0.00 0.00 179.24 176.68 1v5r h ALA 13 N 1.97 -0.55 -0.89 -0.78 0.00 -0.52 -1.97 119.26 116.52 1v5r h ALA 13 Ca 0.66 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.72 1v5r h ALA 13 Cb 1.49 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1v5r h ALA 13 CO -0.86 -0.51 0.86 0.28 0.00 0.00 0.00 179.25 179.02 1v5r h VAL 14 N -1.05 0.23 0.18 0.00 2.07 0.13 0.50 116.25 118.31 1v5r h VAL 14 Ca -0.05 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.19 1v5r h VAL 14 Cb 0.39 0.34 0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1v5r h VAL 14 CO 0.09 0.00 -1.29 0.50 0.02 0.00 0.00 177.57 176.88 1v5r h LYS 15 N 0.00 0.38 0.02 1.57 3.11 -0.43 -3.12 116.57 118.09 1v5r h LYS 15 Ca 0.42 -0.64 -0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1v5r h LYS 15 Cb 2.14 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 33.60 1v5r h LYS 15 CO -0.00 1.31 -0.01 0.07 -2.81 0.00 0.00 179.45 178.00 1v5r h ARG 16 N -0.13 -0.02 -0.98 1.90 0.11 0.64 -2.48 114.38 113.41 1v5r h ARG 16 Ca -0.24 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.95 1v5r h ARG 16 Cb 1.90 0.01 -0.08 0.00 1.11 0.00 0.00 29.97 32.90 1v5r h ARG 16 CO 0.17 0.37 0.62 0.82 0.10 0.00 0.00 179.97 182.05 1v5r h ILE 17 N -0.42 0.93 0.00 0.08 2.04 -0.85 0.72 117.51 120.02 1v5r h ILE 17 Ca -0.00 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1v5r h ILE 17 Cb 0.40 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1v5r h ILE 17 CO 0.00 0.18 -0.38 0.77 0.00 0.00 0.00 178.15 178.72 1v5r h SER 18 N 0.97 0.00 -0.70 1.72 4.64 -1.48 -2.77 113.55 115.92 1v5r h SER 18 Ca 0.47 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.41 1v5r h SER 18 Cb 0.47 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.34 1v5r h SER 18 CO -0.24 0.38 0.28 -0.62 -0.87 0.00 0.00 176.83 175.77 1v5r n GLU 19 N -3.99 2.17 -3.15 4.77 1.02 0.11 -4.51 120.64 117.06 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 0.43 -2.04 -0.01 0.00 -0.02 0.00 0.00 31.44 29.80 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 -2.00 -0.38 0.42 1.62 -1.08 -0.40 -3.88 116.67 110.97 1v5r s ASP 20 Ca 0.52 0.13 -0.24 0.00 -0.52 0.00 0.00 52.55 52.44 1v5r s ASP 20 Cb 0.45 1.28 -0.08 0.00 -1.46 0.00 0.00 42.92 43.11 1v5r s ASP 20 CO 0.04 -0.07 1.18 -2.16 0.52 0.00 0.00 175.17 174.68 1v5r s PRO 21 N 2.96 3.93 0.10 4.34 0.04 -1.26 -4.52 135.00 140.60 1v5r s PRO 21 Ca 0.12 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 1v5r s PRO 21 Cb -0.06 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1v5r s PRO 21 CO -0.16 -0.42 1.37 -1.25 0.04 0.00 0.00 177.00 176.57 1v5r s PRO 22 N -2.44 4.33 -0.17 0.56 0.04 -1.25 -4.91 135.00 131.16 1v5r s PRO 22 Ca 0.59 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.35 1v5r s PRO 22 Cb -0.31 -3.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.86 1v5r s PRO 22 CO 0.38 -0.42 2.05 0.00 0.04 0.00 0.00 177.00 179.05 1v5r h LYS 24 N 11.67 0.24 -5.34 0.00 1.79 -1.92 -3.46 116.57 119.55 1v5r h LYS 24 Ca -0.42 -0.10 -0.52 0.00 -2.18 0.00 0.00 60.65 57.43 1v5r h LYS 24 Cb 1.27 -0.01 0.17 0.00 -1.58 0.00 0.00 32.23 32.08 1v5r h LYS 24 CO 0.97 0.56 -1.19 0.00 -1.08 0.00 0.00 179.45 178.71 1v5r n PRO 26 N 1.57 0.49 -3.59 0.00 -0.04 -1.26 -4.43 135.00 127.74 1v5r n PRO 26 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1v5r n PRO 26 Cb 0.44 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.16 0.63 0.52 2.01 -1.26 -5.14 115.64 110.24 1v5r s THR 27 Ca 0.18 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1v5r s THR 27 Cb 0.08 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1v5r s THR 27 CO 0.14 -0.20 1.10 -0.75 -0.69 0.00 0.00 174.62 174.21 1v5r s LYS 28 N 2.20 2.99 0.97 4.92 2.20 -1.26 -5.00 119.74 126.75 1v5r s LYS 28 Ca 0.03 1.35 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 1v5r s LYS 28 Cb -0.15 -1.98 0.18 0.00 -1.51 0.00 0.00 37.83 34.37 1v5r s LYS 28 CO -0.09 -1.09 1.12 0.12 -0.36 0.00 0.00 175.35 175.04 1v5r s PHE 29 N -2.33 1.55 -0.52 4.03 5.36 -1.26 -4.93 117.98 119.88 1v5r s PHE 29 Ca 0.66 1.65 -0.24 0.00 -0.96 0.00 0.00 56.93 58.04 1v5r s PHE 29 Cb -0.19 -3.28 0.04 0.00 -0.34 0.00 0.00 43.02 39.24 1v5r s PHE 29 CO 0.39 -3.07 0.92 0.00 -1.46 0.00 0.00 175.22 172.00 1v5r s VAL 31 N 3.81 0.58 0.02 0.00 1.01 -1.23 -2.75 120.40 121.85 1v5r s VAL 31 Ca 0.32 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1v5r s VAL 31 Cb -0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1v5r s VAL 31 CO 0.21 0.03 -0.12 -0.70 0.00 0.00 0.00 175.10 174.53 1v5r s GLU 32 N 1.86 0.84 -0.46 2.72 2.56 -1.04 -4.95 118.70 120.23 1v5r s GLU 32 Ca 0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 54.97 54.13 1v5r s GLU 32 Cb -0.15 -0.81 0.02 0.00 2.00 0.00 0.00 34.13 35.19 1v5r s GLU 32 CO -0.07 0.21 1.26 0.50 -0.56 0.00 0.00 175.26 176.59 1v5r s ARG 33 N -0.76 3.65 -0.17 4.30 3.52 -1.26 -1.04 118.95 127.19 1v5r s ARG 33 Ca 0.02 0.70 -0.20 0.00 -0.13 0.00 0.00 55.73 56.12 1v5r s ARG 33 Cb -0.06 -3.96 -0.23 0.00 -1.56 0.00 0.00 34.95 29.14 1v5r s ARG 33 CO 0.00 -1.48 0.38 -0.07 -0.81 0.00 0.00 175.30 173.32 1v5r h LEU 34 N 11.68 0.13 -7.95 -0.88 -0.00 -1.57 -3.48 115.31 113.23 1v5r h LEU 34 Ca -0.25 -0.69 0.14 0.00 -0.00 0.00 0.00 57.88 57.08 1v5r h LEU 34 Cb 1.08 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.67 1v5r h LEU 34 CO 1.11 1.49 0.55 -0.55 -0.00 0.00 0.00 178.44 181.05 1v5r s SER 35 N -6.83 -0.00 0.32 -0.43 0.15 -0.75 -4.89 113.70 101.26 1v5r s SER 35 Ca -0.25 -0.72 0.06 0.00 0.70 0.00 0.00 55.95 55.74 1v5r s SER 35 Cb 0.04 0.54 0.87 0.00 -1.71 0.00 0.00 66.02 65.76 1v5r s SER 35 CO 0.66 -1.07 1.55 0.00 1.20 0.00 0.00 173.24 175.58 1v5r n GLN 36 N -0.68 -0.07 -1.83 5.44 10.64 -1.26 -0.89 117.38 128.73 1v5r n GLN 36 Ca -0.04 1.45 -0.10 0.00 -1.83 0.00 0.00 57.00 56.49 1v5r n GLN 36 Cb 0.59 -2.36 0.07 0.00 -0.86 0.00 0.00 30.24 27.68 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 -1.45 4.68 2.98 2.61 0.00 -1.26 -4.88 105.19 107.86 1v5r n GLY 37 Ca 0.26 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.23 0.35 -0.28 1.61 3.52 -0.07 -3.06 118.95 117.79 1v5r s ARG 38 Ca 0.42 -0.41 -0.19 0.00 -0.13 0.00 0.00 55.73 55.42 1v5r s ARG 38 Cb 0.38 -0.18 0.09 0.00 -1.56 0.00 0.00 34.95 33.67 1v5r s ARG 38 CO -0.02 0.04 0.76 0.71 -0.81 0.00 0.00 175.30 175.97 1v5r s TYR 39 N -0.75 -0.89 -0.25 5.12 1.51 -1.14 -1.39 117.35 119.56 1v5r s TYR 39 Ca -0.06 1.89 -0.29 0.00 -1.01 0.00 0.00 57.07 57.60 1v5r s TYR 39 Cb -0.06 0.48 0.01 0.00 -0.11 0.00 0.00 41.96 42.28 1v5r s TYR 39 CO -0.00 -0.43 1.10 0.50 -1.11 0.00 0.00 175.55 175.60 1v5r s ARG 40 N 1.13 4.17 -0.13 -0.62 3.52 -0.20 -3.20 118.95 123.62 1v5r s ARG 40 Ca -0.06 1.30 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 1v5r s ARG 40 Cb -0.05 -3.70 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1v5r s ARG 40 CO -0.12 -0.76 -0.13 0.08 -0.81 0.00 0.00 175.30 173.56 1v5r s VAL 41 N 3.46 1.45 -1.47 7.11 1.01 0.89 -2.49 120.40 130.36 1v5r s VAL 41 Ca 0.47 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1v5r s VAL 41 Cb -0.15 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.91 1v5r s VAL 41 CO 0.11 0.44 0.66 0.61 0.00 0.00 0.00 175.10 176.92 1v5r n GLY 42 N 4.60 -0.33 3.09 4.51 0.00 -1.11 -0.78 105.19 115.17 1v5r n GLY 42 Ca -0.17 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.43 -5.71 -3.96 1.61 1.02 -1.26 -5.01 120.64 102.90 1v5r n GLU 43 Ca -0.16 0.73 -0.09 0.00 -0.02 0.00 0.00 57.16 57.61 1v5r n GLU 43 Cb 0.61 -5.34 -0.10 0.00 -0.02 0.00 0.00 31.44 26.59 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1v5r s LYS 44 N -5.87 0.44 -0.46 3.49 1.02 0.04 -5.12 119.74 113.27 1v5r s LYS 44 Ca 0.40 -0.67 -0.08 0.00 0.02 0.00 0.00 55.97 55.64 1v5r s LYS 44 Cb -0.18 0.16 0.12 0.00 -0.52 0.00 0.00 37.83 37.42 1v5r s LYS 44 CO 0.50 -0.09 0.32 0.42 -0.92 0.00 0.00 175.35 175.58 1v5r s ILE 45 N -1.97 4.05 0.08 2.17 -1.09 -1.26 -0.08 121.20 123.10 1v5r s ILE 45 Ca -0.11 -1.84 0.06 0.00 -2.23 0.00 0.00 60.65 56.53 1v5r s ILE 45 Cb -0.06 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1v5r s ILE 45 CO -0.02 -0.76 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.06 1v5r s LEU 46 N 1.31 3.02 -0.56 2.97 1.43 -1.19 -5.00 118.68 120.66 1v5r s LEU 46 Ca 0.06 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1v5r s LEU 46 Cb -0.26 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.26 1v5r s LEU 46 CO -0.01 0.20 0.62 -0.36 0.23 0.00 0.00 176.35 177.03 1v5r s PHE 47 N -1.16 3.08 -0.19 0.29 0.40 -1.26 -2.89 117.98 116.25 1v5r s PHE 47 Ca 0.20 -0.94 -0.25 0.00 -0.60 0.00 0.00 56.93 55.34 1v5r s PHE 47 Cb -0.11 -3.81 -0.01 0.00 0.51 0.00 0.00 43.02 39.60 1v5r s PHE 47 CO 0.12 -1.15 0.84 0.42 0.70 0.00 0.00 175.22 176.15 1v5r s ILE 48 N 2.37 4.86 0.15 0.64 1.01 -1.17 -0.80 121.20 128.26 1v5r s ILE 48 Ca 0.10 1.62 0.11 0.00 0.00 0.00 0.00 60.65 62.48 1v5r s ILE 48 Cb -0.24 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1v5r s ILE 48 CO 0.07 -0.01 -0.24 -0.13 0.00 0.00 0.00 174.94 174.63 1v5r s ARG 49 N 2.37 1.53 -0.19 2.79 0.52 0.11 -4.65 118.95 121.43 1v5r s ARG 49 Ca 0.37 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1v5r s ARG 49 Cb -0.16 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.38 1v5r s ARG 49 CO 0.11 0.44 -0.13 1.41 0.02 0.00 0.00 175.30 177.14 1v5r s MET 50 N -2.31 3.18 -0.48 3.54 1.75 -1.26 -1.12 119.30 122.60 1v5r s MET 50 Ca 0.17 -0.74 -0.26 0.00 -1.25 0.00 0.00 55.69 53.62 1v5r s MET 50 Cb -0.09 -2.73 0.03 0.00 2.84 0.00 0.00 34.83 34.87 1v5r s MET 50 CO 0.08 -0.14 0.95 -0.51 -0.65 0.00 0.00 175.02 174.76 1v5r s LEU 51 N 1.21 3.97 -1.38 4.11 1.43 -0.37 -3.97 118.68 123.68 1v5r s LEU 51 Ca 0.02 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1v5r s LEU 51 Cb -0.14 -3.19 0.05 0.00 0.03 0.00 0.00 46.19 42.94 1v5r s LEU 51 CO -0.06 -1.10 0.55 1.41 0.23 0.00 0.00 176.35 177.38 1v5r n HIS 52 N 7.29 -1.87 -2.53 0.29 8.25 -1.26 -0.79 115.22 124.59 1v5r n HIS 52 Ca 0.06 0.50 -0.08 0.00 -0.26 0.00 0.00 57.72 57.94 1v5r n HIS 52 Cb 0.48 -3.51 -0.00 0.00 1.12 0.00 0.00 29.99 28.08 1v5r n HIS 52 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1v5r n ASN 53 N -2.39 -2.73 0.00 0.41 6.94 -1.25 -4.70 115.26 111.53 1v5r n ASN 53 Ca -0.05 0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 1v5r n ASN 53 Cb 0.57 -2.38 0.00 0.00 -2.36 0.00 0.00 39.78 35.61 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1v5r n LYS 54 N -2.74 2.36 -4.41 -3.83 4.81 0.03 -5.06 118.16 109.31 1v5r n LYS 54 Ca -0.08 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.07 1v5r n LYS 54 Cb 0.56 -0.99 -0.13 0.00 0.02 0.00 0.00 35.03 34.49 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 -1.98 2.28 -0.39 5.64 3.76 -0.95 -4.97 115.29 118.69 1v5r s HIS 55 Ca 0.00 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.56 1v5r s HIS 55 Cb 0.00 -1.24 0.11 0.00 1.11 0.00 0.00 32.58 32.56 1v5r s HIS 55 CO 0.00 0.32 0.12 0.08 -0.85 0.00 0.00 174.74 174.41 1v5r s VAL 56 N -1.05 2.21 0.33 -0.90 1.01 -1.26 -1.24 120.40 119.49 1v5r s VAL 56 Ca 0.13 -2.54 0.07 0.00 0.00 0.00 0.00 61.98 59.64 1v5r s VAL 56 Cb -0.10 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1v5r s VAL 56 CO 0.06 -0.67 0.29 -0.04 0.00 0.00 0.00 175.10 174.74 1v5r s MET 57 N 0.61 2.75 0.13 2.72 -1.94 -0.28 -0.88 119.30 122.41 1v5r s MET 57 Ca 0.13 -1.27 0.07 0.00 -1.71 0.00 0.00 55.69 52.91 1v5r s MET 57 Cb -0.21 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1v5r s MET 57 CO -0.07 0.11 -0.15 0.14 -0.01 0.00 0.00 175.02 175.04 1v5r s VAL 58 N -2.29 1.46 -0.66 -6.03 -7.23 0.15 -0.72 120.40 105.08 1v5r s VAL 58 Ca 0.41 -1.73 -0.23 0.00 -1.81 0.00 0.00 61.98 58.61 1v5r s VAL 58 Cb -0.06 -1.58 0.06 0.00 0.56 0.00 0.00 36.38 35.36 1v5r s VAL 58 CO 0.27 -0.36 0.99 -0.60 -0.31 0.00 0.00 175.10 175.09 1v5r s ARG 59 N -2.61 3.14 -0.20 4.82 3.00 0.02 -2.70 118.95 124.42 1v5r s ARG 59 Ca 0.10 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 54.11 1v5r s ARG 59 Cb -0.06 -4.21 0.02 0.00 0.00 0.00 0.00 34.95 30.71 1v5r s ARG 59 CO 0.04 -1.82 -0.15 0.08 0.00 0.00 0.00 175.30 173.45 1v5r s VAL 60 N 4.22 2.37 -0.30 7.11 1.01 -0.72 -4.16 120.40 129.93 1v5r s VAL 60 Ca 0.24 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 1v5r s VAL 60 Cb -0.16 -2.08 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 1v5r s VAL 60 CO 0.11 0.43 1.20 0.61 0.00 0.00 0.00 175.10 177.46 1v5r n GLY 61 N 4.64 -0.10 0.00 4.51 0.00 -1.26 0.12 105.19 113.09 1v5r n GLY 61 Ca -0.19 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 4.05 1.80 0.00 -0.02 0.00 -1.26 -5.04 105.19 104.72 1v5r n GLY 62 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.62 2.81 -0.02 0.00 0.12 -5.14 105.19 102.34 1v5r n GLY 63 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.94 0.35 0.45 1.61 0.52 -1.26 -1.76 118.94 114.91 1v5r s TRP 64 Ca 0.00 -0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1v5r s TRP 64 Cb 0.00 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.83 1v5r s TRP 64 CO 0.00 -0.15 0.08 -1.83 0.02 0.00 0.00 176.95 175.07 1v5r s GLU 65 N 1.12 2.12 -0.24 4.98 -1.05 -1.10 -4.85 118.70 119.68 1v5r s GLU 65 Ca -0.08 -2.13 -0.28 0.00 -0.15 0.00 0.00 54.97 52.32 1v5r s GLU 65 Cb -0.13 -1.73 0.01 0.00 -0.44 0.00 0.00 34.13 31.84 1v5r s GLU 65 CO -0.02 -0.20 1.02 0.95 0.95 0.00 0.00 175.26 177.95 1v5r s THR 66 N -2.74 4.68 0.26 1.83 -4.23 -1.26 0.31 115.64 114.49 1v5r s THR 66 Ca 0.28 1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 62.62 1v5r s THR 66 Cb 0.05 -4.30 0.39 0.00 1.34 0.00 0.00 72.50 69.98 1v5r s THR 66 CO 0.15 -0.20 1.57 0.15 -0.54 0.00 0.00 174.62 175.74 1v5r h PHE 67 N 7.55 -0.64 -0.29 3.99 3.57 -1.28 1.58 116.94 131.42 1v5r h PHE 67 Ca -0.20 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1v5r h PHE 67 Cb 1.06 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 1v5r h PHE 67 CO 0.76 -0.41 0.20 0.00 -2.23 0.00 0.00 178.31 176.63 1v5r h ALA 68 N 1.81 1.95 0.01 2.41 0.00 -1.92 -1.08 119.26 122.45 1v5r h ALA 68 Ca 0.43 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1v5r h ALA 68 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1v5r h ALA 68 CO -0.98 0.00 -0.97 0.78 0.00 0.00 0.00 179.25 178.08 1v5r h GLY 69 N 0.26 0.46 1.73 0.00 0.00 0.18 -2.66 103.07 103.04 1v5r h GLY 69 Ca 0.12 -0.84 -0.15 0.00 0.00 0.00 0.00 47.33 46.47 1v5r h GLY 69 CO -0.02 0.74 -0.59 -1.82 0.00 0.00 0.00 176.54 174.85 1v5r h TYR 70 N 0.23 0.35 0.17 5.60 5.03 -0.16 -2.46 116.97 125.72 1v5r h TYR 70 Ca -0.09 -0.13 -0.01 0.00 2.58 0.00 0.00 58.73 61.08 1v5r h TYR 70 Cb 1.62 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.83 1v5r h TYR 70 CO 0.06 0.80 -0.08 1.25 -1.32 0.00 0.00 178.16 178.87 1v5r h LEU 71 N 0.21 -0.19 -1.43 2.82 5.85 -1.26 -3.16 115.31 118.14 1v5r h LEU 71 Ca -0.00 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.46 1v5r h LEU 71 Cb 1.09 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1v5r h LEU 71 CO 0.09 0.32 0.47 0.17 -0.34 0.00 0.00 178.44 179.15 1v5r h LEU 72 N -0.78 0.59 -0.20 2.25 8.10 -1.53 0.23 115.31 123.96 1v5r h LEU 72 Ca -0.02 0.01 0.05 0.00 0.11 0.00 0.00 57.88 58.02 1v5r h LEU 72 Cb 0.52 -0.11 -0.05 0.00 -0.44 0.00 0.00 40.66 40.58 1v5r h LEU 72 CO 0.04 0.36 -0.10 0.11 -4.11 0.00 0.00 178.44 174.74 1v5r h LYS 73 N 0.66 -0.08 0.01 0.17 1.57 -1.45 -3.09 116.57 114.37 1v5r h LYS 73 Ca 0.33 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1v5r h LYS 73 Cb 0.41 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1v5r h LYS 73 CO -0.11 -0.05 -0.21 0.45 -0.57 0.00 0.00 179.45 178.96 1v5r h HIS 74 N -0.08 0.18 -2.55 -1.35 3.86 -1.36 -3.44 115.15 110.42 1v5r h HIS 74 Ca 0.11 -0.11 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 1v5r h HIS 74 Cb 0.25 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1v5r h HIS 74 CO -0.26 0.95 1.16 0.34 0.86 0.00 0.00 177.93 180.98 1v5r s ASP 75 N -6.29 6.47 -0.02 2.45 -1.08 0.75 -4.91 116.67 114.03 1v5r s ASP 75 Ca -0.17 2.17 -0.26 0.00 -0.52 0.00 0.00 52.55 53.77 1v5r s ASP 75 Cb -0.00 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.73 1v5r s ASP 75 CO 0.73 -1.10 1.25 1.55 0.52 0.00 0.00 175.17 178.12 1v5r h PRO 76 N 10.42 -0.03 -0.76 4.34 0.13 -1.85 -3.06 132.00 141.19 1v5r h PRO 76 Ca -0.40 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.86 1v5r h PRO 76 Cb 1.19 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1v5r h PRO 76 CO 0.96 0.45 0.50 0.00 -0.23 0.00 0.00 178.00 179.68 1v5r h ARG 78 N 0.53 0.43 -1.29 0.00 3.08 -1.84 -2.75 114.38 112.54 1v5r h ARG 78 Ca 0.37 -0.08 0.45 0.00 0.07 0.00 0.00 59.98 60.79 1v5r h ARG 78 Cb 0.69 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.52 1v5r h ARG 78 CO -0.13 0.46 0.81 0.52 -1.07 0.00 0.00 179.97 180.56 1v5r h MET 79 N 0.31 0.04 -0.84 0.04 2.86 -1.17 0.99 114.93 117.16 1v5r h MET 79 Ca 0.10 -0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.96 1v5r h MET 79 Cb 0.19 -0.01 -0.16 0.00 0.06 0.00 0.00 31.60 31.68 1v5r h MET 79 CO -0.01 0.03 -0.01 1.28 1.06 0.00 0.00 176.91 179.26 1v5r n LEU 80 N -4.82 -0.13 -4.69 1.22 4.77 -1.04 -4.40 117.00 107.93 1v5r n LEU 80 Ca 0.39 1.44 -0.43 0.00 -0.03 0.00 0.00 56.01 57.37 1v5r n LEU 80 Cb 1.47 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 42.03 1v5r n LEU 80 CO 0.16 -1.44 0.89 0.00 -1.33 0.00 0.00 177.39 175.67 1v5r n GLN 81 N -5.24 2.06 -3.16 3.23 10.64 0.34 -4.93 117.38 120.33 1v5r n GLN 81 Ca 0.19 0.73 -0.45 0.00 -1.83 0.00 0.00 57.00 55.63 1v5r n GLN 81 Cb 0.62 -2.30 -0.04 0.00 -0.86 0.00 0.00 30.24 27.66 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 -0.95 5.06 -0.29 -0.39 1.09 -1.26 -4.95 121.20 119.51 1v5r s ILE 82 Ca 0.57 -1.55 -0.16 0.00 -1.10 0.00 0.00 60.65 58.42 1v5r s ILE 82 Cb -0.59 -4.52 0.16 0.00 -1.06 0.00 0.00 42.46 36.46 1v5r s ILE 82 CO 0.60 -1.14 1.05 -0.94 -0.10 0.00 0.00 174.94 174.42 1v5r s SER 83 N 3.24 -0.40 -1.46 3.58 1.04 -1.26 -4.97 113.70 113.48 1v5r s SER 83 Ca 0.16 0.62 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 1v5r s SER 83 Cb -0.18 1.22 0.06 0.00 0.10 0.00 0.00 66.02 67.21 1v5r s SER 83 CO -0.01 -0.10 0.98 -1.14 0.98 0.00 0.00 173.24 173.95 1v5r n ARG 84 N 3.74 -5.92 -1.94 4.02 0.63 -1.26 -4.89 116.66 111.04 1v5r n ARG 84 Ca -0.17 0.65 -0.19 0.00 -0.92 0.00 0.00 57.85 57.22 1v5r n ARG 84 Cb 0.57 -5.52 0.04 0.00 0.45 0.00 0.00 32.46 27.99 1v5r n ARG 84 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1v5r n VAL 85 N -4.67 2.39 -4.02 5.15 0.24 -1.26 -5.00 118.33 111.16 1v5r n VAL 85 Ca -0.03 -4.00 -0.34 0.00 -2.04 0.00 0.00 64.34 57.93 1v5r n VAL 85 Cb 0.56 -0.86 -0.15 0.00 -1.47 0.00 0.00 33.84 31.92 1v5r n VAL 85 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1v5r s ASP 86 N -3.57 3.84 0.02 -1.34 1.11 -1.26 -5.10 116.67 110.37 1v5r s ASP 86 Ca 0.48 -0.68 -0.04 0.00 0.18 0.00 0.00 52.55 52.49 1v5r s ASP 86 Cb 0.40 -1.60 -0.01 0.00 1.07 0.00 0.00 42.92 42.77 1v5r s ASP 86 CO 0.02 -0.05 0.06 -0.83 1.18 0.00 0.00 175.17 175.55 1v5r s GLY 87 N 1.34 0.16 -0.52 0.21 0.00 -1.26 -5.09 107.32 102.16 1v5r s GLY 87 Ca 0.03 -0.42 -0.31 0.00 0.00 0.00 0.00 44.72 44.02 1v5r s GLY 87 CO -0.08 -0.53 2.37 0.28 0.00 0.00 0.00 173.10 175.14 1v5r n LYS 88 N 1.35 0.89 -3.80 2.90 4.76 -1.26 -4.88 118.16 118.12 1v5r n LYS 88 Ca -0.22 0.15 -0.30 0.00 -2.87 0.00 0.00 58.31 55.07 1v5r n LYS 88 Cb 0.56 -2.60 -0.13 0.00 -1.84 0.00 0.00 35.03 31.01 1v5r n LYS 88 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1v5r s THR 89 N 9.21 1.78 -0.37 -0.18 -4.23 -1.26 -5.05 115.64 115.55 1v5r s THR 89 Ca 1.11 -2.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1v5r s THR 89 Cb -0.71 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 70.99 1v5r s THR 89 CO 0.41 -0.85 0.13 -0.55 -0.54 0.00 0.00 174.62 173.22 1v5r s SER 90 N 0.21 4.21 0.12 3.99 0.15 -1.26 -5.11 113.70 116.01 1v5r s SER 90 Ca 0.17 -2.15 -0.31 0.00 0.70 0.00 0.00 55.95 54.36 1v5r s SER 90 Cb -0.25 -1.21 -0.08 0.00 -1.71 0.00 0.00 66.02 62.77 1v5r s SER 90 CO -0.01 -0.35 1.35 -2.16 1.20 0.00 0.00 173.24 173.27 1v5r s PRO 91 N 0.93 4.34 0.49 5.44 0.04 -1.26 -5.00 135.00 139.99 1v5r s PRO 91 Ca 0.13 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1v5r s PRO 91 Cb -0.20 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 1v5r s PRO 91 CO -0.12 -0.39 1.17 0.45 0.04 0.00 0.00 177.00 178.15 1v5r s SER 92 N 0.98 6.00 0.00 6.66 0.15 -1.26 -4.95 113.70 121.28 1v5r s SER 92 Ca 0.63 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.57 1v5r s SER 92 Cb -0.36 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 1v5r s SER 92 CO 0.31 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1v5r n GLY 93 N 0.39 3.98 3.67 9.45 0.00 -1.26 -5.10 105.19 116.32 1v5r n GLY 93 Ca 0.09 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.30 0.36 -1.42 1.61 0.04 -1.26 -4.01 135.00 127.02 1v5r s PRO 94 Ca 0.00 0.50 -0.09 0.00 0.04 0.00 0.00 61.00 61.45 1v5r s PRO 94 Cb 0.00 -1.73 0.04 0.00 0.04 0.00 0.00 34.50 32.85 1v5r s PRO 94 CO 0.00 -2.78 1.02 0.43 0.04 0.00 0.00 177.00 175.72 1v5r n SER 95 N -4.20 -4.72 -4.66 6.66 7.64 -1.26 -4.99 113.62 108.09 1v5r n SER 95 Ca 0.05 -0.69 -0.25 0.00 1.01 0.00 0.00 58.87 58.99 1v5r n SER 95 Cb 0.57 -4.41 -0.09 0.00 -1.01 0.00 0.00 64.21 59.28 1v5r n SER 95 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v5r s SER 96 N -3.52 4.20 0.00 6.43 0.15 -1.26 -5.23 113.70 114.47 1v5r s SER 96 Ca 0.51 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1v5r s SER 96 Cb -0.24 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1v5r s SER 96 CO 0.79 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.49