#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk s SER 2 N 0.00 4.65 -1.65 1.61 0.15 -1.26 -4.61 113.70 112.59 2dbk s SER 2 Ca 0.00 -0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.41 2dbk s SER 2 Cb 0.00 -1.33 0.18 0.00 -1.71 0.00 0.00 66.02 63.16 2dbk s SER 2 CO 0.00 0.31 0.46 -1.54 1.20 0.00 0.00 173.24 173.67 2dbk n SER 3 N 2.58 -1.26 0.00 5.45 3.41 -1.26 -2.39 113.62 120.15 2dbk n SER 3 Ca -0.18 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2dbk n SER 3 Cb 0.53 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2dbk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbk n GLY 4 N -1.22 1.67 3.48 5.00 0.00 -1.26 -4.96 105.19 107.89 2dbk n GLY 4 Ca 0.05 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 2dbk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbk s SER 5 N -4.00 -0.60 0.91 1.61 0.15 -1.01 -4.65 113.70 106.10 2dbk s SER 5 Ca 0.00 0.55 -0.16 0.00 0.70 0.00 0.00 55.95 57.04 2dbk s SER 5 Cb 0.00 0.53 -0.11 0.00 -1.71 0.00 0.00 66.02 64.73 2dbk s SER 5 CO 0.00 -0.65 -0.40 -1.54 1.20 0.00 0.00 173.24 171.85 2dbk n SER 6 N 0.73 -4.65 0.00 5.45 3.41 -1.26 -4.88 113.62 112.42 2dbk n SER 6 Ca -0.19 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2dbk n SER 6 Cb 0.58 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2dbk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbk n GLY 7 N 2.86 0.22 3.76 5.00 0.00 -1.26 -5.13 105.19 110.64 2dbk n GLY 7 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2dbk n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 8 N 0.00 2.05 0.08 1.61 0.04 -1.26 -5.05 135.00 132.47 2dbk s PRO 8 Ca 0.00 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 2dbk s PRO 8 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2dbk s PRO 8 CO 0.00 -1.77 0.25 -0.48 0.04 0.00 0.00 177.00 175.05 2dbk s LEU 9 N -5.98 4.34 -0.29 -3.56 0.05 -1.25 -5.05 118.68 106.94 2dbk s LEU 9 Ca 0.62 0.35 -0.29 0.00 0.05 0.00 0.00 54.13 54.86 2dbk s LEU 9 Cb -0.17 -3.05 -0.02 0.00 -2.05 0.00 0.00 46.19 40.90 2dbk s LEU 9 CO 0.56 0.14 1.66 -2.16 -0.55 0.00 0.00 176.35 176.00 2dbk s PRO 10 N -2.57 3.60 -0.15 1.48 0.04 -1.26 -4.61 135.00 131.53 2dbk s PRO 10 Ca 0.36 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2dbk s PRO 10 Cb -0.13 -4.09 -0.09 0.00 0.04 0.00 0.00 34.50 30.23 2dbk s PRO 10 CO 0.27 -1.54 0.05 1.03 0.04 0.00 0.00 177.00 176.86 2dbk h SER 11 N 11.52 0.00 -4.47 6.66 0.87 -1.81 -3.49 113.55 122.83 2dbk h SER 11 Ca -0.33 -0.23 -0.18 0.00 -1.23 0.00 0.00 61.79 59.83 2dbk h SER 11 Cb 1.15 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.88 2dbk h SER 11 CO 1.02 0.89 -0.62 0.28 -0.53 0.00 0.00 176.83 177.88 2dbk s THR 12 N -2.11 0.06 0.26 2.23 -1.32 -1.26 -5.16 115.64 108.34 2dbk s THR 12 Ca -0.15 -0.47 -0.07 0.00 -1.21 0.00 0.00 61.69 59.79 2dbk s THR 12 Cb 0.02 -0.24 -0.01 0.00 -1.51 0.00 0.00 72.50 70.75 2dbk s THR 12 CO 0.31 -0.26 0.39 -1.10 -2.21 0.00 0.00 174.62 171.74 2dbk s GLN 13 N -0.82 1.56 -0.07 7.08 -1.52 -1.26 -4.46 119.66 120.17 2dbk s GLN 13 Ca -0.09 -1.49 -0.18 0.00 -1.95 0.00 0.00 55.36 51.65 2dbk s GLN 13 Cb -0.05 0.41 0.04 0.00 -0.22 0.00 0.00 33.01 33.18 2dbk s GLN 13 CO 0.00 -0.62 0.41 1.21 -0.25 0.00 0.00 175.29 176.04 2dbk s ASN 14 N -3.12 -0.36 0.00 5.90 2.47 -1.26 -5.15 114.94 113.42 2dbk s ASN 14 Ca 0.29 0.46 0.00 0.00 0.42 0.00 0.00 52.86 54.03 2dbk s ASN 14 Cb 0.01 0.54 0.00 0.00 -1.45 0.00 0.00 41.25 40.36 2dbk s ASN 14 CO 0.13 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 2dbk n GLY 15 N 1.74 0.91 3.69 1.21 0.00 -1.26 -5.08 105.19 106.40 2dbk n GLY 15 Ca -0.18 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2dbk n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 16 N -2.00 4.27 0.09 1.61 0.04 -1.26 -5.00 135.00 132.74 2dbk s PRO 16 Ca 0.00 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 2dbk s PRO 16 Cb 0.00 -3.57 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 2dbk s PRO 16 CO 0.00 -0.60 0.73 0.08 0.04 0.00 0.00 177.00 177.25 2dbk s VAL 17 N 2.43 4.62 -0.16 -0.36 1.01 -1.23 -5.00 120.40 121.70 2dbk s VAL 17 Ca 0.65 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 64.19 2dbk s VAL 17 Cb -0.33 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2dbk s VAL 17 CO 0.27 0.45 -0.11 -0.36 0.00 0.00 0.00 175.10 175.35 2dbk s PHE 18 N -0.57 2.86 -0.17 5.22 0.08 -1.26 -2.93 117.98 121.21 2dbk s PHE 18 Ca 0.36 -0.83 0.01 0.00 0.12 0.00 0.00 56.93 56.59 2dbk s PHE 18 Cb -0.21 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2dbk s PHE 18 CO 0.23 -0.37 -0.18 0.00 -0.10 0.00 0.00 175.22 174.80 2dbk s ALA 19 N 0.80 2.12 0.29 5.36 0.00 -1.17 -3.74 121.76 125.43 2dbk s ALA 19 Ca -0.04 -1.08 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 2dbk s ALA 19 Cb -0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 2dbk s ALA 19 CO 0.01 -0.35 0.99 0.21 0.00 0.00 0.00 175.76 176.62 2dbk s LYS 20 N 1.36 4.64 -0.44 0.00 2.20 -1.13 -0.96 119.74 125.41 2dbk s LYS 20 Ca 0.05 1.53 -0.26 0.00 -0.36 0.00 0.00 55.97 56.92 2dbk s LYS 20 Cb -0.13 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2dbk s LYS 20 CO -0.12 0.29 0.95 0.00 -0.36 0.00 0.00 175.35 176.12 2dbk s ALA 21 N -1.36 3.27 -0.05 3.13 0.00 0.92 -2.00 121.76 125.67 2dbk s ALA 21 Ca 0.47 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.84 2dbk s ALA 21 Cb -0.25 -3.65 -0.24 0.00 0.00 0.00 0.00 23.12 18.98 2dbk s ALA 21 CO 0.31 -1.97 0.65 -0.84 0.00 0.00 0.00 175.76 173.91 2dbk h ILE 22 N 6.04 0.86 -3.98 0.00 3.07 -1.88 -1.75 117.51 119.87 2dbk h ILE 22 Ca -0.24 -2.67 -0.69 0.00 1.55 0.00 0.00 64.86 62.81 2dbk h ILE 22 Cb 1.07 2.48 -0.23 0.00 -0.27 0.00 0.00 36.82 39.87 2dbk h ILE 22 CO 1.03 0.61 -0.77 -1.10 -1.05 0.00 0.00 178.15 176.87 2dbk s GLN 23 N -2.60 2.56 -0.02 0.16 -1.52 -1.13 -4.83 119.66 112.28 2dbk s GLN 23 Ca -0.08 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.34 2dbk s GLN 23 Cb 0.08 -2.40 -0.07 0.00 -0.22 0.00 0.00 33.01 30.40 2dbk s GLN 23 CO 0.82 0.60 1.74 0.21 -0.25 0.00 0.00 175.29 178.41 2dbk s LYS 24 N -0.67 4.17 -0.31 2.91 2.20 -1.26 -4.55 119.74 122.23 2dbk s LYS 24 Ca 0.10 2.32 -0.12 0.00 -0.36 0.00 0.00 55.97 57.91 2dbk s LYS 24 Cb -0.11 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 2dbk s LYS 24 CO 0.01 -0.87 0.21 0.50 -0.36 0.00 0.00 175.35 174.84 2dbk s ARG 25 N 4.04 3.65 -0.47 4.03 6.06 -1.15 -4.96 118.95 130.15 2dbk s ARG 25 Ca 0.78 -0.53 0.04 0.00 -2.50 0.00 0.00 55.73 53.52 2dbk s ARG 25 Cb -0.36 -3.73 0.12 0.00 0.06 0.00 0.00 34.95 31.04 2dbk s ARG 25 CO 0.33 -0.34 0.20 0.08 -2.50 0.00 0.00 175.30 173.07 2dbk s VAL 26 N 1.73 2.50 0.28 7.11 1.01 -1.26 -2.54 120.40 129.22 2dbk s VAL 26 Ca 0.06 -3.03 -0.29 0.00 0.00 0.00 0.00 61.98 58.72 2dbk s VAL 26 Cb -0.17 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 2dbk s VAL 26 CO 0.10 -0.74 1.25 -2.16 0.00 0.00 0.00 175.10 173.55 2dbk s PRO 27 N 0.06 4.44 0.53 2.72 0.04 -1.26 -4.98 135.00 136.55 2dbk s PRO 27 Ca 0.15 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.02 2dbk s PRO 27 Cb -0.24 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 2dbk s PRO 27 CO -0.02 -0.10 1.38 0.00 0.04 0.00 0.00 177.00 178.30 2dbk h ALA 29 N 1.61 0.47 -0.62 0.00 0.00 -2.01 -0.89 119.26 117.82 2dbk h ALA 29 Ca -0.51 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2dbk h ALA 29 Cb 1.30 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2dbk h ALA 29 CO 0.58 -0.41 0.30 1.88 0.00 0.00 0.00 179.25 181.60 2dbk h TYR 30 N 0.06 0.89 -1.59 0.00 -1.99 -2.04 -3.39 116.97 108.92 2dbk h TYR 30 Ca 0.28 -0.04 -0.43 0.00 2.00 0.00 0.00 58.73 60.54 2dbk h TYR 30 Cb 0.44 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 2dbk h TYR 30 CO -0.39 0.67 1.25 0.34 -0.00 0.00 0.00 178.16 180.03 2dbk s ASP 31 N -6.01 4.92 0.03 3.88 -1.08 -0.34 -4.77 116.67 113.30 2dbk s ASP 31 Ca -0.13 0.37 0.04 0.00 -0.52 0.00 0.00 52.55 52.32 2dbk s ASP 31 Cb 0.13 -2.53 -0.24 0.00 -1.46 0.00 0.00 42.92 38.82 2dbk s ASP 31 CO 0.79 -2.68 0.95 0.11 0.52 0.00 0.00 175.17 174.86 2dbk h LYS 32 N 15.55 0.10 -0.02 4.34 1.57 -1.78 -3.31 116.57 133.01 2dbk h LYS 32 Ca -0.19 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 2dbk h LYS 32 Cb 1.16 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2dbk h LYS 32 CO 1.19 0.91 -0.38 1.79 -0.57 0.00 0.00 179.45 182.39 2dbk h THR 33 N 0.03 1.28 -2.70 -0.16 1.35 -1.92 -3.44 112.91 107.35 2dbk h THR 33 Ca -0.17 -1.33 -0.52 0.00 -0.55 0.00 0.00 66.41 63.83 2dbk h THR 33 Cb 1.93 1.69 0.05 0.00 -1.73 0.00 0.00 68.15 70.09 2dbk h THR 33 CO 0.13 0.38 0.99 0.00 -0.25 0.00 0.00 175.52 176.77 2dbk s ALA 34 N -4.18 3.83 0.02 6.62 0.00 -1.25 -0.37 121.76 126.42 2dbk s ALA 34 Ca -0.03 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.12 2dbk s ALA 34 Cb 0.14 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2dbk s ALA 34 CO 0.73 -0.95 0.80 -1.17 0.00 0.00 0.00 175.76 175.17 2dbk s LEU 35 N 1.61 4.41 -0.13 0.00 0.20 -1.12 -4.75 118.68 118.91 2dbk s LEU 35 Ca 0.74 1.44 -0.13 0.00 0.69 0.00 0.00 54.13 56.87 2dbk s LEU 35 Cb -0.46 -3.27 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2dbk s LEU 35 CO 0.33 -0.06 0.30 0.00 -0.29 0.00 0.00 176.35 176.62 2dbk s ALA 36 N 0.32 3.64 0.15 5.97 0.00 -1.26 -4.58 121.76 126.00 2dbk s ALA 36 Ca 0.41 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 2dbk s ALA 36 Cb -0.20 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2dbk s ALA 36 CO 0.23 0.22 0.13 -0.51 0.00 0.00 0.00 175.76 175.83 2dbk s LEU 37 N 0.02 1.49 -0.06 0.00 1.43 -1.05 -4.96 118.68 115.55 2dbk s LEU 37 Ca 0.18 -1.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 2dbk s LEU 37 Cb -0.14 0.55 0.01 0.00 0.03 0.00 0.00 46.19 46.65 2dbk s LEU 37 CO 0.06 -0.79 -0.12 -1.83 0.23 0.00 0.00 176.35 173.90 2dbk s GLU 38 N -4.04 1.56 -0.44 1.70 -1.05 -1.26 -2.94 118.70 112.23 2dbk s GLU 38 Ca 0.24 -0.39 -0.34 0.00 -0.15 0.00 0.00 54.97 54.32 2dbk s GLU 38 Cb 0.06 -1.32 -0.15 0.00 -0.44 0.00 0.00 34.13 32.28 2dbk s GLU 38 CO 0.02 0.04 1.75 0.28 0.95 0.00 0.00 175.26 178.31 2dbk n VAL 39 N 3.72 0.00 0.00 1.83 0.31 -1.26 -2.13 118.33 120.80 2dbk n VAL 39 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2dbk n VAL 39 Cb 0.52 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 2dbk n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dbk n GLY 40 N 5.93 1.21 3.20 2.92 0.00 -0.66 -5.03 105.19 112.76 2dbk n GLY 40 Ca 0.45 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 2dbk n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dbk s ASP 41 N -2.00 1.95 -0.27 1.61 -1.08 -0.90 -4.94 116.67 111.03 2dbk s ASP 41 Ca 0.00 -0.60 -0.14 0.00 -0.52 0.00 0.00 52.55 51.29 2dbk s ASP 41 Cb 0.00 -0.09 -0.04 0.00 -1.46 0.00 0.00 42.92 41.33 2dbk s ASP 41 CO 0.00 -0.01 0.34 -0.63 0.52 0.00 0.00 175.17 175.39 2dbk s ILE 42 N -1.14 5.20 -0.63 4.11 -1.09 -1.26 -0.06 121.20 126.33 2dbk s ILE 42 Ca 0.01 0.49 -0.18 0.00 -2.23 0.00 0.00 60.65 58.75 2dbk s ILE 42 Cb -0.10 -3.67 0.13 0.00 -1.58 0.00 0.00 42.46 37.24 2dbk s ILE 42 CO 0.03 0.17 0.69 -0.69 -1.23 0.00 0.00 174.94 173.90 2dbk s VAL 43 N 2.01 5.01 -0.48 2.92 1.01 -0.13 -4.80 120.40 125.94 2dbk s VAL 43 Ca 0.13 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 2dbk s VAL 43 Cb -0.16 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.77 2dbk s VAL 43 CO 0.10 -1.07 1.31 -0.75 0.00 0.00 0.00 175.10 174.69 2dbk s LYS 44 N 2.09 3.56 -0.12 2.72 2.20 -1.23 -3.03 119.74 125.93 2dbk s LYS 44 Ca 0.11 0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 2dbk s LYS 44 Cb -0.23 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.05 2dbk s LYS 44 CO 0.02 -1.60 -0.03 0.54 -0.36 0.00 0.00 175.35 173.93 2dbk s VAL 45 N 5.23 4.03 -0.19 4.02 0.11 -1.15 -0.70 120.40 131.76 2dbk s VAL 45 Ca 0.54 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 2dbk s VAL 45 Cb -0.10 -2.72 -0.16 0.00 -1.53 0.00 0.00 36.38 31.86 2dbk s VAL 45 CO 0.30 0.55 -0.09 0.35 -3.33 0.00 0.00 175.10 172.88 2dbk n THR 46 N 2.81 1.15 -4.86 5.04 -2.24 -1.09 -3.52 114.28 111.56 2dbk n THR 46 Ca -0.18 -0.54 -0.27 0.00 -2.27 0.00 0.00 64.05 60.79 2dbk n THR 46 Cb 0.53 -0.97 -0.16 0.00 -2.10 0.00 0.00 70.33 67.62 2dbk n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dbk s ARG 47 N -2.40 2.08 -0.33 -0.78 3.00 -1.24 -4.96 118.95 114.32 2dbk s ARG 47 Ca -0.20 -0.62 0.03 0.00 0.00 0.00 0.00 55.73 54.94 2dbk s ARG 47 Cb 0.06 -1.70 0.09 0.00 0.00 0.00 0.00 34.95 33.40 2dbk s ARG 47 CO 0.55 0.16 0.04 -1.64 0.00 0.00 0.00 175.30 174.41 2dbk s MET 48 N 0.31 1.71 0.59 3.54 -1.94 -1.26 -1.10 119.30 121.14 2dbk s MET 48 Ca -0.11 -1.76 -0.20 0.00 -1.71 0.00 0.00 55.69 51.92 2dbk s MET 48 Cb -0.15 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.46 2dbk s MET 48 CO 0.04 -0.88 1.21 0.09 -0.01 0.00 0.00 175.02 175.47 2dbk n ASN 49 N 4.34 1.88 0.05 3.03 3.02 -1.20 -4.88 115.26 121.50 2dbk n ASN 49 Ca -0.00 0.89 0.12 0.00 -0.03 0.00 0.00 54.58 55.55 2dbk n ASN 49 Cb 0.42 -1.51 0.46 0.00 -0.61 0.00 0.00 39.78 38.55 2dbk n ASN 49 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2dbk n ILE 50 N -1.48 0.57 0.17 2.41 -5.35 -1.26 -2.85 119.36 111.56 2dbk n ILE 50 Ca 0.13 0.04 0.04 0.00 -0.27 0.00 0.00 62.75 62.69 2dbk n ILE 50 Cb 0.46 -0.78 0.27 0.00 -1.74 0.00 0.00 39.64 37.84 2dbk n ILE 50 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2dbk h ASN 51 N 0.00 0.00 0.00 7.28 -1.07 -2.05 -3.48 115.58 116.26 2dbk h ASN 51 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2dbk h ASN 51 Cb 0.47 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 2dbk h ASN 51 CO 0.00 0.44 0.00 0.61 0.07 0.00 0.00 177.43 178.55 2dbk n GLY 52 N 0.37 3.68 3.71 9.14 0.00 -1.13 -5.10 105.19 115.86 2dbk n GLY 52 Ca -0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2dbk n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dbk s GLN 53 N 0.00 4.36 0.27 1.61 1.11 -1.26 -4.73 119.66 121.03 2dbk s GLN 53 Ca 0.00 1.95 0.07 0.00 0.01 0.00 0.00 55.36 57.39 2dbk s GLN 53 Cb 0.00 -3.30 -0.03 0.00 -1.01 0.00 0.00 33.01 28.67 2dbk s GLN 53 CO 0.00 -0.37 0.24 -1.58 0.01 0.00 0.00 175.29 173.59 2dbk s TRP 54 N 1.14 3.08 -0.29 0.91 0.51 -1.26 -3.21 118.94 119.83 2dbk s TRP 54 Ca 0.62 -0.16 -0.06 0.00 -2.12 0.00 0.00 56.10 54.39 2dbk s TRP 54 Cb -0.34 -1.53 0.01 0.00 -0.81 0.00 0.00 33.47 30.81 2dbk s TRP 54 CO 0.30 0.41 0.06 -2.00 -0.51 0.00 0.00 176.95 175.21 2dbk s GLU 55 N -3.90 3.04 0.18 4.98 2.12 -0.26 -3.75 118.70 121.11 2dbk s GLU 55 Ca 0.35 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2dbk s GLU 55 Cb -0.07 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 2dbk s GLU 55 CO 0.26 -0.44 0.04 0.20 -0.54 0.00 0.00 175.26 174.78 2dbk s GLY 56 N 1.47 1.26 -0.12 -1.50 0.00 -1.25 -2.67 107.32 104.51 2dbk s GLY 56 Ca 0.02 -1.62 0.03 0.00 0.00 0.00 0.00 44.72 43.15 2dbk s GLY 56 CO 0.01 -1.49 -0.22 1.85 0.00 0.00 0.00 173.10 173.25 2dbk s GLU 57 N -3.98 2.92 -0.04 2.90 -6.30 0.12 -3.15 118.70 111.16 2dbk s GLU 57 Ca 0.27 -0.82 0.01 0.00 -2.50 0.00 0.00 54.97 51.93 2dbk s GLU 57 Cb 0.07 -2.32 0.02 0.00 0.00 0.00 0.00 34.13 31.91 2dbk s GLU 57 CO 0.05 0.04 -0.03 0.08 0.02 0.00 0.00 175.26 175.42 2dbk s VAL 58 N 0.69 0.43 -0.92 3.70 1.01 0.50 -3.55 120.40 122.25 2dbk s VAL 58 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2dbk s VAL 58 Cb -0.16 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2dbk s VAL 58 CO 0.01 0.20 0.00 0.59 0.00 0.00 0.00 175.10 175.91 2dbk n ASN 59 N 4.10 -2.94 0.00 3.32 3.02 -1.26 0.11 115.26 121.60 2dbk n ASN 59 Ca -0.25 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2dbk n ASN 59 Cb 0.51 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.99 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dbk n GLY 60 N -0.48 0.71 3.15 7.41 0.00 -1.26 -5.06 105.19 109.66 2dbk n GLY 60 Ca -0.11 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2dbk n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dbk s ARG 61 N -1.59 2.85 -0.32 1.61 3.00 0.29 -5.10 118.95 119.69 2dbk s ARG 61 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 55.73 54.91 2dbk s ARG 61 Cb 0.00 -2.29 0.05 0.00 0.00 0.00 0.00 34.95 32.71 2dbk s ARG 61 CO 0.00 0.01 0.05 0.15 0.00 0.00 0.00 175.30 175.50 2dbk s LYS 62 N 0.78 2.42 0.27 3.54 1.02 -1.26 -0.37 119.74 126.14 2dbk s LYS 62 Ca -0.09 -1.31 -0.14 0.00 0.02 0.00 0.00 55.97 54.45 2dbk s LYS 62 Cb -0.16 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2dbk s LYS 62 CO -0.00 -0.68 0.55 0.20 -0.92 0.00 0.00 175.35 174.49 2dbk s GLY 63 N 1.35 0.45 -0.21 -3.33 0.00 -1.19 -4.89 107.32 99.50 2dbk s GLY 63 Ca -0.03 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.67 2dbk s GLY 63 CO -0.01 -0.51 0.79 1.08 0.00 0.00 0.00 173.10 174.46 2dbk s LEU 64 N -3.01 4.12 0.02 0.66 1.43 0.50 -3.82 118.68 118.57 2dbk s LEU 64 Ca 0.20 1.04 0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2dbk s LEU 64 Cb -0.02 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 2dbk s LEU 64 CO 0.09 -0.44 -0.22 0.72 0.23 0.00 0.00 176.35 176.74 2dbk s PHE 65 N 2.49 2.46 0.03 0.29 -0.71 -1.25 -2.77 117.98 118.52 2dbk s PHE 65 Ca 0.35 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.61 2dbk s PHE 65 Cb -0.16 -1.48 -0.06 0.00 -1.21 0.00 0.00 43.02 40.12 2dbk s PHE 65 CO 0.09 0.14 1.42 -1.25 -1.34 0.00 0.00 175.22 174.29 2dbk s PRO 66 N -1.10 4.28 0.50 1.99 0.04 -1.26 -4.14 135.00 135.31 2dbk s PRO 66 Ca 0.12 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.34 2dbk s PRO 66 Cb -0.10 -3.52 1.18 0.00 0.04 0.00 0.00 34.50 32.10 2dbk s PRO 66 CO 0.02 -0.56 2.10 0.27 0.04 0.00 0.00 177.00 178.87 2dbk h PHE 67 N 7.69 0.02 0.00 0.56 -5.15 -1.89 -0.70 116.94 117.47 2dbk h PHE 67 Ca -0.39 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.38 2dbk h PHE 67 Cb 1.19 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.35 2dbk h PHE 67 CO 0.74 0.06 0.00 1.79 -2.00 0.00 0.00 178.31 178.90 2dbk h THR 68 N 0.02 0.00 0.16 0.88 1.35 -1.98 -2.38 112.91 110.96 2dbk h THR 68 Ca 0.01 -0.18 -0.34 0.00 -0.55 0.00 0.00 66.41 65.35 2dbk h THR 68 Cb 0.08 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2dbk h THR 68 CO 0.01 0.00 -1.69 0.45 -0.25 0.00 0.00 175.52 174.04 2dbk h HIS 69 N 0.00 0.61 -1.68 4.73 3.86 -1.51 -3.47 115.15 117.68 2dbk h HIS 69 Ca 0.00 -0.44 -0.43 0.00 -1.16 0.00 0.00 60.37 58.34 2dbk h HIS 69 Cb 0.20 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 28.66 2dbk h HIS 69 CO 0.00 1.56 -0.24 0.14 0.86 0.00 0.00 177.93 180.26 2dbk s VAL 70 N -2.59 3.16 -0.04 2.45 -7.23 -0.90 -2.86 120.40 112.39 2dbk s VAL 70 Ca -0.13 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2dbk s VAL 70 Cb 0.06 -3.08 0.02 0.00 0.56 0.00 0.00 36.38 33.94 2dbk s VAL 70 CO 0.85 -0.03 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.79 2dbk s LYS 71 N -4.38 0.93 0.23 4.82 2.20 -0.85 -4.87 119.74 117.81 2dbk s LYS 71 Ca 0.54 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2dbk s LYS 71 Cb -0.10 -0.88 -0.09 0.00 -1.51 0.00 0.00 37.83 35.25 2dbk s LYS 71 CO 0.34 -0.01 1.28 0.42 -0.36 0.00 0.00 175.35 177.01 2dbk s ILE 72 N 0.66 3.19 0.07 5.43 -1.09 -1.26 -2.84 121.20 125.36 2dbk s ILE 72 Ca -0.10 1.04 -0.09 0.00 -2.23 0.00 0.00 60.65 59.27 2dbk s ILE 72 Cb -0.13 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 2dbk s ILE 72 CO 0.01 0.18 0.19 0.72 -1.23 0.00 0.00 174.94 174.81 2dbk s PHE 73 N -0.25 0.11 -0.03 3.97 -0.71 -1.25 -4.99 117.98 114.84 2dbk s PHE 73 Ca 0.54 -0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 55.67 2dbk s PHE 73 Cb -0.36 -0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.36 2dbk s PHE 73 CO 0.41 -0.50 1.33 -0.51 -1.34 0.00 0.00 175.22 174.61 2dbk s ASP 74 N -2.55 6.92 0.00 1.98 1.11 -1.26 -4.67 116.67 118.20 2dbk s ASP 74 Ca 0.01 1.99 0.13 0.00 0.18 0.00 0.00 52.55 54.86 2dbk s ASP 74 Cb 0.03 -2.56 0.75 0.00 1.07 0.00 0.00 42.92 42.21 2dbk s ASP 74 CO -0.08 -0.68 1.18 -0.81 1.18 0.00 0.00 175.17 175.96 2dbk n PRO 75 N 5.39 0.49 -3.50 8.23 -0.04 -1.26 -4.83 135.00 139.46 2dbk n PRO 75 Ca 0.12 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 2dbk n PRO 75 Cb 0.45 -1.40 0.07 0.00 -0.04 0.00 0.00 33.50 32.58 2dbk n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dbk n GLN 76 N -0.90 -7.49 -1.68 0.54 6.02 -1.26 -4.88 117.38 107.72 2dbk n GLN 76 Ca 0.09 0.84 -0.45 0.00 -0.01 0.00 0.00 57.00 57.48 2dbk n GLN 76 Cb 0.04 -5.86 -0.04 0.00 1.02 0.00 0.00 30.24 25.40 2dbk n GLN 76 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2dbk n ASN 77 N -2.93 3.73 0.17 1.08 2.85 -1.26 -4.85 115.26 114.05 2dbk n ASN 77 Ca -0.01 0.99 0.13 0.00 -0.11 0.00 0.00 54.58 55.58 2dbk n ASN 77 Cb 0.57 -1.48 0.54 0.00 1.24 0.00 0.00 39.78 40.66 2dbk n ASN 77 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2dbk h PRO 78 N 8.50 0.00 -6.84 1.20 0.13 -2.04 -3.44 132.00 129.51 2dbk h PRO 78 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 2dbk h PRO 78 Cb 1.24 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.41 2dbk h PRO 78 CO 0.94 0.00 -0.02 -0.51 -0.23 0.00 0.00 178.00 178.18 2dbk s ASP 79 N -4.57 5.58 -0.29 1.44 1.01 -1.26 -5.11 116.67 113.46 2dbk s ASP 79 Ca 0.03 0.27 -0.15 0.00 0.71 0.00 0.00 52.55 53.42 2dbk s ASP 79 Cb 0.09 -1.34 0.12 0.00 1.01 0.00 0.00 42.92 42.79 2dbk s ASP 79 CO 0.42 -0.93 0.79 -0.70 0.21 0.00 0.00 175.17 174.96 2dbk s GLU 80 N -4.72 0.55 0.02 8.23 2.56 -1.26 -5.06 118.70 119.02 2dbk s GLU 80 Ca 0.52 1.07 -0.24 0.00 0.00 0.00 0.00 54.97 56.32 2dbk s GLU 80 Cb -0.10 0.29 -0.17 0.00 2.00 0.00 0.00 34.13 36.15 2dbk s GLU 80 CO 0.39 -0.14 1.37 -0.97 -0.56 0.00 0.00 175.26 175.36 2dbk h ASN 81 N 6.98 0.13 -5.19 -1.70 -1.24 -2.00 -3.46 115.58 109.09 2dbk h ASN 81 Ca -0.26 -0.41 -0.17 0.00 0.71 0.00 0.00 56.30 56.17 2dbk h ASN 81 Cb 1.18 -0.04 -0.15 0.00 0.73 0.00 0.00 38.32 40.05 2dbk h ASN 81 CO 0.15 0.51 -0.67 -1.61 -1.29 0.00 0.00 177.43 174.52 2dbk s GLU 82 N -4.57 0.79 -0.18 6.67 2.02 -1.26 -5.08 118.70 117.08 2dbk s GLU 82 Ca -0.15 -1.34 -0.22 0.00 0.02 0.00 0.00 54.97 53.28 2dbk s GLU 82 Cb 0.04 0.14 -0.20 0.00 0.10 0.00 0.00 34.13 34.21 2dbk s GLU 82 CO 0.70 -0.16 0.34 0.77 0.02 0.00 0.00 175.26 176.93 2dbk h SER 83 N 2.99 0.00 -3.79 -0.19 0.02 -1.90 -3.41 113.55 107.26 2dbk h SER 83 Ca -0.35 -0.60 0.12 0.00 -0.84 0.00 0.00 61.79 60.12 2dbk h SER 83 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2dbk h SER 83 CO 0.63 1.29 -0.19 0.61 -1.14 0.00 0.00 176.83 178.03 2dbk n GLY 84 N 1.50 -1.63 3.25 -3.77 0.00 -1.26 -3.79 105.19 99.49 2dbk n GLY 84 Ca -0.24 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 2dbk n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbk n PRO 85 N -2.27 -2.99 -3.49 1.61 -0.04 -1.26 -4.77 135.00 121.79 2dbk n PRO 85 Ca -0.00 -1.62 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 2dbk n PRO 85 Cb 0.21 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 2dbk n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dbk s SER 86 N -4.24 -0.52 0.43 3.54 0.15 -1.26 -4.39 113.70 107.41 2dbk s SER 86 Ca 0.66 -0.09 0.07 0.00 0.70 0.00 0.00 55.95 57.29 2dbk s SER 86 Cb -0.06 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2dbk s SER 86 CO 0.51 -1.02 0.59 -0.94 1.20 0.00 0.00 173.24 173.58 2dbk s SER 87 N -2.77 5.63 0.00 5.45 1.04 -1.26 -5.16 113.70 116.63 2dbk s SER 87 Ca 0.03 -0.39 0.17 0.00 0.48 0.00 0.00 55.95 56.24 2dbk s SER 87 Cb -0.02 -0.67 0.14 0.00 0.10 0.00 0.00 66.02 65.57 2dbk s SER 87 CO -0.10 -0.79 1.04 0.61 0.98 0.00 0.00 173.24 174.98