#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q8r n PRO 2 N 0.00 0.57 -0.39 1.61 -0.04 -1.26 -3.53 135.00 131.96 2q8r n PRO 2 Ca 0.00 -0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2q8r n PRO 2 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.23 2q8r n PRO 2 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2q8r n TYR 3 N -1.12 0.95 -2.07 0.54 4.01 -1.26 -4.98 117.16 113.23 2q8r n TYR 3 Ca 0.15 -0.59 -0.35 0.00 -0.16 0.00 0.00 57.90 56.94 2q8r n TYR 3 Cb 0.25 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 2q8r n TYR 3 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2q8r s HIS 4 N -1.55 2.53 0.86 -0.72 -3.43 -1.23 -5.02 115.29 106.72 2q8r s HIS 4 Ca 0.39 1.54 -0.12 0.00 -0.80 0.00 0.00 55.06 56.07 2q8r s HIS 4 Cb 0.24 -3.35 0.10 0.00 -1.43 0.00 0.00 32.58 28.14 2q8r s HIS 4 CO 0.20 -1.87 1.10 -1.25 -2.00 0.00 0.00 174.74 170.92 2q8r s PRO 5 N -3.43 1.60 0.03 -0.38 0.04 -1.26 -5.08 135.00 126.52 2q8r s PRO 5 Ca 0.74 0.62 0.08 0.00 0.04 0.00 0.00 61.00 62.47 2q8r s PRO 5 Cb -0.26 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2q8r s PRO 5 CO 0.32 -1.95 -0.21 -1.12 0.04 0.00 0.00 177.00 174.08 2q8r s SER 6 N -3.78 3.55 0.09 6.66 0.01 -1.26 -5.11 113.70 113.87 2q8r s SER 6 Ca 0.62 -0.47 -0.31 0.00 1.31 0.00 0.00 55.95 57.10 2q8r s SER 6 Cb -0.16 -0.50 -0.07 0.00 0.21 0.00 0.00 66.02 65.51 2q8r s SER 6 CO 0.55 0.27 1.28 -1.61 0.41 0.00 0.00 173.24 174.13 2q8r s GLU 7 N -1.28 4.39 0.09 12.44 0.41 -1.26 -5.03 118.70 128.46 2q8r s GLU 7 Ca 0.13 1.90 0.08 0.00 -0.41 0.00 0.00 54.97 56.68 2q8r s GLU 7 Cb -0.10 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 2q8r s GLU 7 CO 0.03 -0.32 -0.21 0.00 -0.49 0.00 0.00 175.26 174.27 2q8r n PHE 10 N 3.08 0.00 -4.44 0.00 3.72 -1.26 -4.56 117.46 114.01 2q8r n PHE 10 Ca -0.16 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.02 2q8r n PHE 10 Cb 0.53 -0.42 -0.16 0.00 -0.94 0.00 0.00 39.48 38.48 2q8r n PHE 10 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2q8r s THR 11 N -2.21 0.90 0.09 4.37 -4.23 -1.26 -5.11 115.64 108.18 2q8r s THR 11 Ca -0.10 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2q8r s THR 11 Cb 0.03 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 2q8r s THR 11 CO 0.30 0.29 0.27 -0.31 -0.54 0.00 0.00 174.62 174.63 2q8r s TYR 12 N 0.51 3.50 0.37 3.99 2.02 -1.26 -4.68 117.35 121.81 2q8r s TYR 12 Ca -0.09 0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.67 2q8r s TYR 12 Cb -0.13 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 2q8r s TYR 12 CO 0.02 0.54 1.14 -0.08 -1.57 0.00 0.00 175.55 175.59 2q8r s THR 13 N -1.58 3.31 -0.82 -0.71 -1.32 -0.51 -4.93 115.64 109.09 2q8r s THR 13 Ca 0.37 1.13 0.24 0.00 -1.21 0.00 0.00 61.69 62.22 2q8r s THR 13 Cb -0.13 -3.65 -0.01 0.00 -1.51 0.00 0.00 72.50 67.20 2q8r s THR 13 CO 0.27 0.13 1.30 0.35 -2.21 0.00 0.00 174.62 174.46 2q8r n THR 14 N 0.30 0.14 -3.60 5.08 -2.24 -1.26 -4.70 114.28 108.00 2q8r n THR 14 Ca 0.03 -0.13 -0.36 0.00 -2.27 0.00 0.00 64.05 61.32 2q8r n THR 14 Cb 0.47 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 2q8r n THR 14 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2q8r s TYR 15 N -3.09 3.47 0.30 4.78 2.02 -1.26 -5.05 117.35 118.53 2q8r s TYR 15 Ca 0.08 0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.04 2q8r s TYR 15 Cb 0.16 -2.28 -0.12 0.00 -0.40 0.00 0.00 41.96 39.32 2q8r s TYR 15 CO 0.73 0.30 1.50 1.63 -1.57 0.00 0.00 175.55 178.14 2q8r n LYS 16 N 3.37 2.49 -2.90 -0.62 5.02 -1.26 -4.95 118.16 119.32 2q8r n LYS 16 Ca -0.13 0.88 -0.41 0.00 -2.02 0.00 0.00 58.31 56.63 2q8r n LYS 16 Cb 0.52 -2.61 -0.04 0.00 -0.02 0.00 0.00 35.03 32.88 2q8r n LYS 16 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2q8r s ILE 17 N -0.35 4.92 0.08 -0.18 1.01 -1.26 -4.99 121.20 120.43 2q8r s ILE 17 Ca 0.62 1.66 -0.35 0.00 0.00 0.00 0.00 60.65 62.58 2q8r s ILE 17 Cb -0.53 -4.15 -0.15 0.00 0.01 0.00 0.00 42.46 37.65 2q8r s ILE 17 CO 0.53 0.10 1.55 -2.65 0.00 0.00 0.00 174.94 174.47 2q8r n PRO 18 N 4.64 1.76 0.27 2.79 -0.02 -1.26 -4.81 135.00 138.37 2q8r n PRO 18 Ca 0.03 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.28 2q8r n PRO 18 Cb 0.50 -2.37 0.77 0.00 -0.02 0.00 0.00 33.50 32.38 2q8r n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q8r h ARG 19 N 5.95 0.00 0.00 -0.52 3.08 -1.98 -1.24 114.38 119.67 2q8r h ARG 19 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2q8r h ARG 19 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2q8r h ARG 19 CO 0.86 0.08 0.00 1.96 -1.07 0.00 0.00 179.97 181.80 2q8r h GLN 20 N 0.00 0.00 0.00 0.04 7.50 -2.04 -2.11 115.11 118.50 2q8r h GLN 20 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2q8r h GLN 20 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2q8r h GLN 20 CO 0.01 0.00 -0.59 0.54 -1.50 0.00 0.00 178.83 177.29 2q8r n ARG 21 N -2.60 0.23 -3.14 1.46 1.74 -0.47 -4.91 116.66 108.96 2q8r n ARG 21 Ca -0.00 0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 2q8r n ARG 21 Cb 0.16 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 2q8r n ARG 21 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2q8r s ILE 22 N -3.13 5.03 -0.21 0.55 1.01 -0.80 -1.05 121.20 122.61 2q8r s ILE 22 Ca 0.07 1.14 0.15 0.00 0.00 0.00 0.00 60.65 62.01 2q8r s ILE 22 Cb 0.14 -3.93 -0.23 0.00 0.01 0.00 0.00 42.46 38.46 2q8r s ILE 22 CO 0.71 0.12 0.01 0.23 0.00 0.00 0.00 174.94 176.01 2q8r n MET 23 N 5.02 0.68 -3.91 2.79 2.81 0.84 -4.93 117.12 120.43 2q8r n MET 23 Ca -0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2q8r n MET 23 Cb 0.50 -1.52 0.01 0.00 -0.71 0.00 0.00 33.22 31.50 2q8r n MET 23 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2q8r s ASP 24 N -5.71 -0.01 0.12 7.83 -1.08 -1.11 -5.00 116.67 111.71 2q8r s ASP 24 Ca -0.15 -0.36 -0.09 0.00 -0.52 0.00 0.00 52.55 51.42 2q8r s ASP 24 Cb 0.07 0.28 -0.00 0.00 -1.46 0.00 0.00 42.92 41.80 2q8r s ASP 24 CO 0.78 -0.54 0.25 -0.72 0.52 0.00 0.00 175.17 175.45 2q8r s TYR 25 N -2.14 0.21 0.07 -5.34 -0.85 -1.26 -0.96 117.35 107.08 2q8r s TYR 25 Ca 0.25 -0.60 -0.10 0.00 -0.52 0.00 0.00 57.07 56.10 2q8r s TYR 25 Cb -0.01 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.31 2q8r s TYR 25 CO 0.01 -0.63 0.21 1.52 -1.52 0.00 0.00 175.55 175.15 2q8r s TYR 26 N -3.90 0.08 -0.01 -3.49 -0.85 -0.15 -4.97 117.35 104.07 2q8r s TYR 26 Ca 0.09 -0.43 -0.17 0.00 -0.52 0.00 0.00 57.07 56.04 2q8r s TYR 26 Cb 0.04 -0.02 -0.06 0.00 0.38 0.00 0.00 41.96 42.30 2q8r s TYR 26 CO -0.07 -0.52 0.49 -2.00 -1.52 0.00 0.00 175.55 171.92 2q8r s GLU 27 N -3.42 4.13 0.52 -3.49 2.12 -1.26 -0.60 118.70 116.70 2q8r s GLU 27 Ca 0.01 0.54 -0.18 0.00 0.36 0.00 0.00 54.97 55.70 2q8r s GLU 27 Cb 0.03 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 31.06 2q8r s GLU 27 CO -0.09 0.52 1.03 0.95 -0.54 0.00 0.00 175.26 177.13 2q8r s THR 28 N -0.61 3.96 0.12 -1.70 -4.23 -0.12 -4.95 115.64 108.11 2q8r s THR 28 Ca 0.26 1.08 -0.35 0.00 -1.18 0.00 0.00 61.69 61.51 2q8r s THR 28 Cb -0.17 -3.48 -0.17 0.00 1.34 0.00 0.00 72.50 70.02 2q8r s THR 28 CO 0.15 -0.40 1.19 -3.20 -0.54 0.00 0.00 174.62 171.82 2q8r n ASN 29 N -1.36 1.18 0.18 3.99 2.85 -1.26 -4.69 115.26 116.15 2q8r n ASN 29 Ca 0.08 1.13 0.13 0.00 -0.11 0.00 0.00 54.58 55.82 2q8r n ASN 29 Cb 0.53 -1.16 0.65 0.00 1.24 0.00 0.00 39.78 41.04 2q8r n ASN 29 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2q8r h SER 30 N 3.67 0.00 1.03 1.20 4.64 -1.94 -1.36 113.55 120.79 2q8r h SER 30 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2q8r h SER 30 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2q8r h SER 30 CO 0.72 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 178.24 2q8r h GLN 31 N 0.00 0.00 -7.07 4.77 4.20 -1.96 -3.45 115.11 111.60 2q8r h GLN 31 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2q8r h GLN 31 Cb 0.14 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.08 2q8r h GLN 31 CO 0.00 0.00 0.49 0.00 -0.67 0.00 0.00 178.83 178.65 2q8r h SER 33 N 0.63 0.00 -4.31 0.00 4.64 -1.89 -3.43 113.55 109.19 2q8r h SER 33 Ca -0.51 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.32 2q8r h SER 33 Cb 1.34 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.21 2q8r h SER 33 CO 0.53 0.07 -0.81 -0.54 -0.87 0.00 0.00 176.83 175.22 2q8r s LYS 34 N -4.73 0.99 0.66 4.77 1.02 -1.26 -5.14 119.74 116.05 2q8r s LYS 34 Ca -0.04 -1.08 -0.16 0.00 0.02 0.00 0.00 55.97 54.71 2q8r s LYS 34 Cb 0.16 -1.14 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2q8r s LYS 34 CO 0.64 0.26 1.17 -2.14 -0.92 0.00 0.00 175.35 174.36 2q8r s PRO 35 N -1.85 2.62 -0.22 -1.68 0.02 -1.26 -4.71 135.00 127.92 2q8r s PRO 35 Ca 0.03 1.63 -0.19 0.00 0.02 0.00 0.00 61.00 62.48 2q8r s PRO 35 Cb -0.10 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.57 2q8r s PRO 35 CO 0.03 -1.43 0.58 0.20 -0.33 0.00 0.00 177.00 176.05 2q8r s GLY 36 N -2.13 -0.45 -0.19 0.52 0.00 -1.26 -4.71 107.32 99.10 2q8r s GLY 36 Ca 0.72 1.70 -0.03 0.00 0.00 0.00 0.00 44.72 47.12 2q8r s GLY 36 CO 0.40 1.52 -0.07 -0.42 0.00 0.00 0.00 173.10 174.53 2q8r s ILE 37 N 0.50 3.25 -0.23 0.90 -1.09 -0.68 -0.94 121.20 122.91 2q8r s ILE 37 Ca -0.02 -0.55 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 2q8r s ILE 37 Cb -0.04 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2q8r s ILE 37 CO -0.02 0.46 0.12 -0.69 -1.23 0.00 0.00 174.94 173.58 2q8r s VAL 38 N 1.13 5.02 -0.15 2.92 1.01 0.23 -0.79 120.40 129.77 2q8r s VAL 38 Ca 0.01 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2q8r s VAL 38 Cb -0.14 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2q8r s VAL 38 CO -0.02 0.37 0.25 -0.36 0.00 0.00 0.00 175.10 175.34 2q8r s PHE 39 N 0.99 3.50 -0.18 5.22 0.08 -0.23 -0.98 117.98 126.37 2q8r s PHE 39 Ca 0.06 0.57 -0.14 0.00 0.12 0.00 0.00 56.93 57.54 2q8r s PHE 39 Cb -0.14 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2q8r s PHE 39 CO 0.03 0.36 0.31 0.42 -0.10 0.00 0.00 175.22 176.24 2q8r s ILE 40 N 0.07 5.28 0.45 0.64 1.01 -0.14 -0.99 121.20 127.52 2q8r s ILE 40 Ca 0.15 0.54 0.08 0.00 0.00 0.00 0.00 60.65 61.42 2q8r s ILE 40 Cb -0.13 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2q8r s ILE 40 CO 0.04 0.34 0.49 0.42 0.00 0.00 0.00 174.94 176.23 2q8r s THR 41 N 0.80 2.63 0.48 2.92 -4.23 0.27 -0.11 115.64 118.39 2q8r s THR 41 Ca 0.16 -1.20 0.13 0.00 -1.18 0.00 0.00 61.69 59.60 2q8r s THR 41 Cb -0.14 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2q8r s THR 41 CO 0.05 0.00 2.11 0.50 -0.54 0.00 0.00 174.62 176.74 2q8r h LYS 42 N 0.77 0.21 -0.60 3.99 3.64 -1.41 -0.25 116.57 122.92 2q8r h LYS 42 Ca -0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2q8r h LYS 42 Cb 1.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2q8r h LYS 42 CO 0.51 0.14 0.00 0.54 -2.27 0.00 0.00 179.45 178.37 2q8r n ARG 43 N -4.51 2.80 -1.11 1.90 1.74 -1.26 -4.87 116.66 111.36 2q8r n ARG 43 Ca -0.00 -2.10 -0.04 0.00 -0.77 0.00 0.00 57.85 54.94 2q8r n ARG 43 Cb 0.10 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.89 2q8r n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2q8r n GLY 44 N 1.08 0.66 3.94 -0.13 0.00 -0.11 -5.06 105.19 105.58 2q8r n GLY 44 Ca 0.19 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 2q8r n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q8r s HIS 45 N -2.13 3.37 -0.06 1.61 3.76 -1.25 -4.82 115.29 115.78 2q8r s HIS 45 Ca 0.00 0.41 0.05 0.00 -0.15 0.00 0.00 55.06 55.37 2q8r s HIS 45 Cb 0.00 -2.22 -0.00 0.00 1.11 0.00 0.00 32.58 31.46 2q8r s HIS 45 CO 0.00 -0.24 -0.21 -1.12 -0.85 0.00 0.00 174.74 172.32 2q8r s SER 46 N -4.15 2.63 -0.14 1.40 0.01 -1.26 -0.57 113.70 111.61 2q8r s SER 46 Ca 0.46 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 2q8r s SER 46 Cb -0.10 -0.84 0.04 0.00 0.21 0.00 0.00 66.02 65.33 2q8r s SER 46 CO 0.39 0.18 -0.06 -0.69 0.41 0.00 0.00 173.24 173.47 2q8r s VAL 47 N 0.06 1.04 0.16 3.43 1.01 -0.16 -4.95 120.40 120.99 2q8r s VAL 47 Ca -0.07 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2q8r s VAL 47 Cb -0.14 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 2q8r s VAL 47 CO 0.04 0.22 1.23 0.00 0.00 0.00 0.00 175.10 176.59 2q8r s THR 49 N 0.23 0.56 -0.28 0.00 -4.23 0.03 -1.42 115.64 110.53 2q8r s THR 49 Ca 0.55 -1.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 2q8r s THR 49 Cb -0.33 -1.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 2q8r s THR 49 CO 0.35 -0.86 0.63 0.21 -0.54 0.00 0.00 174.62 174.41 2q8r s ASN 50 N -2.87 6.53 0.63 3.99 3.84 -1.26 -1.69 114.94 124.11 2q8r s ASN 50 Ca 0.08 0.54 0.39 0.00 0.21 0.00 0.00 52.86 54.08 2q8r s ASN 50 Cb 0.04 -2.33 2.11 0.00 -0.55 0.00 0.00 41.25 40.52 2q8r s ASN 50 CO -0.05 -0.43 2.18 -0.65 -2.79 0.00 0.00 177.10 175.36 2q8r h PRO 51 N 8.07 0.00 -0.00 0.43 0.11 -1.90 -1.64 132.00 137.07 2q8r h PRO 51 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2q8r h PRO 51 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2q8r h PRO 51 CO 0.79 0.00 -0.30 -1.13 -0.21 0.00 0.00 178.00 177.14 2q8r n SER 52 N -2.94 0.48 -4.72 -2.05 3.41 -1.26 -4.52 113.62 102.02 2q8r n SER 52 Ca -0.03 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.91 2q8r n SER 52 Cb 0.15 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2q8r n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2q8r s ASP 53 N -2.84 6.94 0.23 4.04 1.01 -0.62 -4.95 116.67 120.49 2q8r s ASP 53 Ca 0.17 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.59 2q8r s ASP 53 Cb 0.18 -2.59 0.27 0.00 1.01 0.00 0.00 42.92 41.80 2q8r s ASP 53 CO 0.60 -0.54 1.86 0.50 0.21 0.00 0.00 175.17 177.80 2q8r h LYS 54 N 6.38 0.93 -0.29 8.23 3.64 -1.88 -2.21 116.57 131.36 2q8r h LYS 54 Ca -0.43 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 2q8r h LYS 54 Cb 1.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2q8r h LYS 54 CO 0.82 0.62 0.10 0.11 -2.27 0.00 0.00 179.45 178.83 2q8r h TRP 55 N 0.96 0.41 -0.33 1.91 5.08 -1.95 -0.21 115.95 121.81 2q8r h TRP 55 Ca 0.34 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 60.25 2q8r h TRP 55 Cb 0.09 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 26.11 2q8r h TRP 55 CO -0.03 0.34 0.03 0.28 -1.28 0.00 0.00 178.44 177.77 2q8r h VAL 56 N 0.41 1.25 -0.29 0.12 2.07 -1.70 -0.27 116.25 117.84 2q8r h VAL 56 Ca 0.10 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2q8r h VAL 56 Cb 0.11 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2q8r h VAL 56 CO -0.01 0.29 0.15 1.56 0.02 0.00 0.00 177.57 179.58 2q8r h GLN 57 N 0.38 0.42 -0.33 1.57 4.20 -1.21 -1.45 115.11 118.69 2q8r h GLN 57 Ca 0.10 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2q8r h GLN 57 Cb 0.40 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 2q8r h GLN 57 CO 0.01 0.39 0.11 -0.44 -0.67 0.00 0.00 178.83 178.23 2q8r h ASP 58 N 0.35 0.11 -0.07 1.46 3.32 -0.90 -1.59 116.42 119.10 2q8r h ASP 58 Ca 0.10 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.22 2q8r h ASP 58 Cb 0.10 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2q8r h ASP 58 CO -0.01 0.10 -0.10 1.88 -1.72 0.00 0.00 179.24 179.38 2q8r h TYR 59 N 0.25 -0.26 -0.88 4.55 -1.99 -0.81 -2.14 116.97 115.68 2q8r h TYR 59 Ca 0.15 0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.97 2q8r h TYR 59 Cb 0.13 0.13 -0.07 0.00 2.00 0.00 0.00 36.73 38.92 2q8r h TYR 59 CO -0.15 -0.16 0.54 0.82 -0.00 0.00 0.00 178.16 179.21 2q8r h ILE 60 N -0.15 1.00 -0.61 -2.88 2.04 -0.96 -1.17 117.51 114.79 2q8r h ILE 60 Ca 0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2q8r h ILE 60 Cb 0.23 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 2q8r h ILE 60 CO -0.16 0.17 0.33 0.50 0.00 0.00 0.00 178.15 179.00 2q8r h LYS 61 N 0.95 0.85 0.00 2.37 3.64 -0.98 -1.05 116.57 122.35 2q8r h LYS 61 Ca 0.40 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2q8r h LYS 61 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2q8r h LYS 61 CO -0.20 0.64 0.00 -0.44 -2.27 0.00 0.00 179.45 177.19 2q8r h ASP 62 N 0.82 0.00 0.48 4.20 3.32 -0.73 -3.22 116.42 121.29 2q8r h ASP 62 Ca 0.21 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.00 2q8r h ASP 62 Cb 0.04 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2q8r h ASP 62 CO -0.03 0.00 -1.71 0.23 -1.72 0.00 0.00 179.24 176.00 2q8r n MET 63 N -2.31 0.64 -2.54 3.56 2.81 -0.51 -4.96 117.12 113.80 2q8r n MET 63 Ca 0.04 0.24 -0.33 0.00 -1.81 0.00 0.00 57.70 55.84 2q8r n MET 63 Cb 0.34 -1.76 -0.04 0.00 -0.71 0.00 0.00 33.22 31.04 2q8r n MET 63 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2q8r s LYS 64 N -2.68 3.94 0.11 0.03 2.20 -0.45 -5.09 119.74 117.79 2q8r s LYS 64 Ca -0.05 1.14 0.07 0.00 -0.36 0.00 0.00 55.97 56.78 2q8r s LYS 64 Cb 0.08 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 2q8r s LYS 64 CO 0.82 -0.29 -0.10 -1.21 -0.36 0.00 0.00 175.35 174.22 2q8r s GLU 65 N -3.54 2.13 0.00 4.03 2.02 -1.26 -4.98 118.70 117.09 2q8r s GLU 65 Ca 0.63 -1.03 0.28 0.00 0.02 0.00 0.00 54.97 54.87 2q8r s GLU 65 Cb -0.12 -2.31 1.15 0.00 0.10 0.00 0.00 34.13 32.96 2q8r s GLU 65 CO 0.23 0.51 1.80 0.27 0.02 0.00 0.00 175.26 178.08