#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 -0.26 -0.04 1.61 0.01 -1.26 -5.06 113.70 108.71 2dbk s SER 2 Ca 0.00 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.73 2dbk s SER 2 Cb 0.00 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2dbk s SER 2 CO 0.00 -1.16 -0.10 -0.94 0.41 0.00 0.00 173.24 171.45 2dbk s SER 3 N -2.90 1.38 -1.24 2.44 1.04 -1.26 -5.07 113.70 108.08 2dbk s SER 3 Ca 0.11 -0.22 -0.19 0.00 0.48 0.00 0.00 55.95 56.13 2dbk s SER 3 Cb -0.03 -0.45 0.05 0.00 0.10 0.00 0.00 66.02 65.70 2dbk s SER 3 CO 0.01 0.06 1.71 -0.83 0.98 0.00 0.00 173.24 175.17 2dbk s GLY 4 N 0.33 1.44 -0.11 7.32 0.00 -1.26 -4.89 107.32 110.16 2dbk s GLY 4 Ca -0.06 -2.74 -0.08 0.00 0.00 0.00 0.00 44.72 41.84 2dbk s GLY 4 CO 0.01 2.80 0.28 -0.56 0.00 0.00 0.00 173.10 175.64 2dbk s SER 5 N 4.58 -0.31 0.27 1.64 0.01 -1.26 -5.04 113.70 113.59 2dbk s SER 5 Ca 0.54 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 58.36 2dbk s SER 5 Cb 0.03 0.54 0.56 0.00 0.21 0.00 0.00 66.02 67.36 2dbk s SER 5 CO 0.06 -0.13 1.62 0.28 0.41 0.00 0.00 173.24 175.48 2dbk h SER 6 N 6.35 -0.31 -3.58 2.44 0.02 -1.97 -3.47 113.55 113.02 2dbk h SER 6 Ca -0.32 0.22 0.18 0.00 -0.84 0.00 0.00 61.79 61.02 2dbk h SER 6 Cb 1.18 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 64.04 2dbk h SER 6 CO 0.34 -0.21 -0.24 0.61 -1.14 0.00 0.00 176.83 176.19 2dbk n GLY 7 N -1.43 -2.06 3.60 -3.77 0.00 -1.26 -4.92 105.19 95.36 2dbk n GLY 7 Ca 0.17 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.49 -1.00 0.45 1.61 0.04 -1.26 -5.02 135.00 128.33 2dbk s PRO 8 Ca 0.00 0.02 -0.20 0.00 0.04 0.00 0.00 61.00 60.85 2dbk s PRO 8 Cb 0.00 -1.62 -0.10 0.00 0.04 0.00 0.00 34.50 32.82 2dbk s PRO 8 CO 0.00 -3.58 0.97 -0.48 0.04 0.00 0.00 177.00 173.95 2dbk s LEU 9 N -6.87 3.89 0.83 -3.56 0.05 -1.26 -5.05 118.68 106.70 2dbk s LEU 9 Ca 0.70 1.72 -0.11 0.00 0.05 0.00 0.00 54.13 56.49 2dbk s LEU 9 Cb -0.11 -4.54 0.09 0.00 -2.05 0.00 0.00 46.19 39.58 2dbk s LEU 9 CO 0.56 -0.46 1.09 -2.16 -0.55 0.00 0.00 176.35 174.83 2dbk s PRO 10 N -3.29 1.83 1.06 1.48 0.04 -1.26 -5.01 135.00 129.85 2dbk s PRO 10 Ca 0.63 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 2dbk s PRO 10 Cb -0.10 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.73 2dbk s PRO 10 CO 0.16 -1.90 0.19 0.45 0.04 0.00 0.00 177.00 175.95 2dbk n SER 11 N -3.68 -2.89 -4.56 6.66 2.88 -1.26 -4.98 113.62 105.79 2dbk n SER 11 Ca 0.08 -0.33 -0.34 0.00 -1.33 0.00 0.00 58.87 56.95 2dbk n SER 11 Cb 0.54 -0.82 -0.11 0.00 -0.75 0.00 0.00 64.21 63.07 2dbk n SER 11 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2dbk s THR 12 N -2.12 4.07 -1.31 2.46 -4.23 -1.26 -4.58 115.64 108.67 2dbk s THR 12 Ca 0.43 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2dbk s THR 12 Cb -0.07 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2dbk s THR 12 CO 0.45 0.53 0.71 0.00 -0.54 0.00 0.00 174.62 175.77 2dbk n GLN 13 N 3.07 -4.97 -0.07 3.99 6.02 -1.26 -4.92 117.38 119.24 2dbk n GLN 13 Ca -0.18 0.62 -0.20 0.00 -0.01 0.00 0.00 57.00 57.24 2dbk n GLN 13 Cb 0.53 -5.20 -0.13 0.00 1.02 0.00 0.00 30.24 26.46 2dbk n GLN 13 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2dbk n ASN 14 N -3.05 2.03 0.00 1.08 5.15 -1.26 -5.11 115.26 114.10 2dbk n ASN 14 Ca -0.29 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2dbk n ASN 14 Cb 0.67 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 2dbk n ASN 14 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dbk n GLY 15 N 2.05 -0.52 3.77 8.20 0.00 -1.26 -5.15 105.19 112.28 2dbk n GLY 15 Ca -0.40 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.31 3.00 -0.07 1.61 0.04 -1.26 -5.04 135.00 131.97 2dbk s PRO 16 Ca 0.00 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 2dbk s PRO 16 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2dbk s PRO 16 CO 0.00 -1.10 0.22 0.08 0.04 0.00 0.00 177.00 176.23 2dbk s VAL 17 N -2.14 5.38 -0.14 -0.36 1.01 -1.25 -5.05 120.40 117.85 2dbk s VAL 17 Ca 0.69 0.33 0.02 0.00 0.00 0.00 0.00 61.98 63.02 2dbk s VAL 17 Cb -0.22 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2dbk s VAL 17 CO 0.36 0.57 -0.22 -0.36 0.00 0.00 0.00 175.10 175.45 2dbk s PHE 18 N -1.09 2.67 -0.21 5.22 0.40 -1.26 -2.84 117.98 120.87 2dbk s PHE 18 Ca 0.19 -1.31 -0.01 0.00 -0.60 0.00 0.00 56.93 55.20 2dbk s PHE 18 Cb -0.13 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.60 2dbk s PHE 18 CO 0.08 -0.60 -0.12 0.00 0.70 0.00 0.00 175.22 175.28 2dbk s ALA 19 N 0.78 2.55 0.31 5.36 0.00 -0.49 -3.71 121.76 126.57 2dbk s ALA 19 Ca -0.08 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 2dbk s ALA 19 Cb -0.16 -1.46 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 2dbk s ALA 19 CO -0.01 -0.53 0.97 0.21 0.00 0.00 0.00 175.76 176.40 2dbk s LYS 20 N 1.33 4.60 -0.62 0.00 2.20 -1.14 -1.22 119.74 124.89 2dbk s LYS 20 Ca 0.03 1.42 -0.27 0.00 -0.36 0.00 0.00 55.97 56.79 2dbk s LYS 20 Cb -0.15 -2.90 0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2dbk s LYS 20 CO -0.08 0.27 1.18 0.00 -0.36 0.00 0.00 175.35 176.37 2dbk s ALA 21 N -1.49 2.95 -0.59 3.13 0.00 -0.73 -2.34 121.76 122.68 2dbk s ALA 21 Ca 0.49 -1.05 0.25 0.00 0.00 0.00 0.00 51.96 51.64 2dbk s ALA 21 Cb -0.22 -4.06 0.55 0.00 0.00 0.00 0.00 23.12 19.39 2dbk s ALA 21 CO 0.27 -2.81 1.63 -0.84 0.00 0.00 0.00 175.76 174.02 2dbk h ILE 22 N 6.10 0.00 -2.89 0.00 3.07 -1.87 -1.45 117.51 120.47 2dbk h ILE 22 Ca -0.26 -0.69 -0.50 0.00 1.55 0.00 0.00 64.86 64.95 2dbk h ILE 22 Cb 1.06 1.62 -0.14 0.00 -0.27 0.00 0.00 36.82 39.09 2dbk h ILE 22 CO 1.20 0.00 -0.56 -1.10 -1.05 0.00 0.00 178.15 176.65 2dbk s GLN 23 N -3.16 1.77 -0.11 0.16 -0.21 -1.12 -4.89 119.66 112.10 2dbk s GLN 23 Ca 0.08 -2.04 -0.16 0.00 0.02 0.00 0.00 55.36 53.26 2dbk s GLN 23 Cb 0.10 -0.63 -0.05 0.00 1.00 0.00 0.00 33.01 33.43 2dbk s GLN 23 CO 0.65 -0.37 0.41 0.21 -2.12 0.00 0.00 175.29 174.07 2dbk s LYS 24 N -3.81 4.23 -0.28 2.91 2.20 -1.26 -3.69 119.74 120.05 2dbk s LYS 24 Ca 0.30 0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 2dbk s LYS 24 Cb 0.05 -3.39 0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2dbk s LYS 24 CO 0.15 0.29 0.00 0.50 -0.36 0.00 0.00 175.35 175.93 2dbk s ARG 25 N 0.24 2.82 -0.45 4.03 3.00 -0.71 -4.99 118.95 122.88 2dbk s ARG 25 Ca 0.23 -1.01 0.04 0.00 -1.00 0.00 0.00 55.73 53.98 2dbk s ARG 25 Cb -0.15 -3.16 0.12 0.00 0.00 0.00 0.00 34.95 31.76 2dbk s ARG 25 CO 0.09 -0.47 0.19 0.14 0.00 0.00 0.00 175.30 175.26 2dbk s VAL 26 N 1.37 2.28 0.66 7.11 -7.23 -1.26 -2.65 120.40 120.67 2dbk s VAL 26 Ca -0.00 -2.88 -0.15 0.00 -1.81 0.00 0.00 61.98 57.13 2dbk s VAL 26 Cb -0.18 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2dbk s VAL 26 CO -0.01 -0.75 1.11 -2.16 -0.31 0.00 0.00 175.10 172.97 2dbk s PRO 27 N 0.19 2.79 0.66 4.82 0.04 -1.26 -5.03 135.00 137.20 2dbk s PRO 27 Ca 0.15 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 2dbk s PRO 27 Cb -0.24 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2dbk s PRO 27 CO -0.03 -1.26 1.04 0.00 0.04 0.00 0.00 177.00 176.79 2dbk h ALA 29 N -0.50 -0.27 -0.41 0.00 0.00 -2.02 -2.06 119.26 114.00 2dbk h ALA 29 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2dbk h ALA 29 Cb 1.20 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2dbk h ALA 29 CO 0.60 -0.71 0.08 0.10 0.00 0.00 0.00 179.25 179.32 2dbk h TYR 30 N -0.34 0.63 -2.76 0.00 -0.00 -2.04 -3.40 116.97 109.06 2dbk h TYR 30 Ca 0.06 -0.05 -0.55 0.00 -0.00 0.00 0.00 58.73 58.19 2dbk h TYR 30 Cb 0.42 -0.19 -0.04 0.00 -0.00 0.00 0.00 36.73 36.91 2dbk h TYR 30 CO -0.26 0.56 1.19 0.34 -0.00 0.00 0.00 178.16 180.00 2dbk s ASP 31 N -6.68 5.97 -0.21 0.10 -1.08 -0.77 -4.81 116.67 109.18 2dbk s ASP 31 Ca -0.08 0.78 0.13 0.00 -0.52 0.00 0.00 52.55 52.86 2dbk s ASP 31 Cb 0.16 -2.53 -0.23 0.00 -1.46 0.00 0.00 42.92 38.85 2dbk s ASP 31 CO 0.77 -1.74 0.01 0.29 0.52 0.00 0.00 175.17 175.01 2dbk n LYS 32 N 8.50 0.68 0.12 4.34 4.01 -1.26 -4.35 118.16 130.20 2dbk n LYS 32 Ca 0.18 0.04 0.01 0.00 -0.51 0.00 0.00 58.31 58.03 2dbk n LYS 32 Cb 0.49 -1.53 0.32 0.00 -0.51 0.00 0.00 35.03 33.80 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2dbk h THR 33 N 0.00 1.24 -2.32 -0.18 1.35 -1.94 -3.42 112.91 107.65 2dbk h THR 33 Ca -0.55 -1.14 -0.55 0.00 -0.55 0.00 0.00 66.41 63.62 2dbk h THR 33 Cb 2.15 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 70.01 2dbk h THR 33 CO -0.00 0.34 1.36 0.00 -0.25 0.00 0.00 175.52 176.98 2dbk s ALA 34 N -4.42 2.58 0.26 6.62 0.00 -1.26 0.12 121.76 125.66 2dbk s ALA 34 Ca -0.05 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2dbk s ALA 34 Cb 0.14 -4.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.05 2dbk s ALA 34 CO 0.75 -3.09 1.40 -1.17 0.00 0.00 0.00 175.76 173.65 2dbk s LEU 35 N 8.10 4.40 -0.16 0.00 0.20 -1.01 -4.69 118.68 125.52 2dbk s LEU 35 Ca 0.83 2.65 -0.12 0.00 0.69 0.00 0.00 54.13 58.17 2dbk s LEU 35 Cb -0.22 -3.63 -0.05 0.00 -0.43 0.00 0.00 46.19 41.87 2dbk s LEU 35 CO 0.31 -0.65 0.24 0.00 -0.29 0.00 0.00 176.35 175.96 2dbk s ALA 36 N -0.22 3.64 0.14 5.97 0.00 -1.26 -4.71 121.76 125.32 2dbk s ALA 36 Ca 0.57 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2dbk s ALA 36 Cb -0.41 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2dbk s ALA 36 CO 0.45 0.15 0.17 -0.51 0.00 0.00 0.00 175.76 176.02 2dbk s LEU 37 N 0.31 1.37 0.06 0.00 1.43 -1.08 -4.97 118.68 115.79 2dbk s LEU 37 Ca 0.14 -1.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.29 2dbk s LEU 37 Cb -0.12 0.77 -0.03 0.00 0.03 0.00 0.00 46.19 46.84 2dbk s LEU 37 CO 0.03 -0.81 -0.19 -1.83 0.23 0.00 0.00 176.35 173.78 2dbk s GLU 38 N -4.00 1.16 -0.43 1.70 -1.05 -1.26 -1.73 118.70 113.09 2dbk s GLU 38 Ca 0.20 -0.97 -0.42 0.00 -0.15 0.00 0.00 54.97 53.63 2dbk s GLU 38 Cb 0.05 -1.29 -0.17 0.00 -0.44 0.00 0.00 34.13 32.29 2dbk s GLU 38 CO 0.00 0.31 1.98 0.28 0.95 0.00 0.00 175.26 178.79 2dbk n VAL 39 N 1.59 0.10 -0.11 1.83 0.31 -1.24 -1.87 118.33 118.93 2dbk n VAL 39 Ca -0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2dbk n VAL 39 Cb 0.54 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 6.07 1.21 3.02 2.92 0.00 -0.54 -5.05 105.19 112.81 2dbk n GLY 40 Ca 0.42 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2dbk n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dbk s ASP 41 N -2.05 2.60 0.22 1.61 1.11 -0.78 -4.93 116.67 114.45 2dbk s ASP 41 Ca 0.00 -0.46 -0.30 0.00 0.18 0.00 0.00 52.55 51.97 2dbk s ASP 41 Cb 0.00 -1.14 -0.09 0.00 1.07 0.00 0.00 42.92 42.76 2dbk s ASP 41 CO 0.00 -0.04 1.28 -0.63 1.18 0.00 0.00 175.17 176.96 2dbk s ILE 42 N 1.38 3.20 -0.29 0.77 -1.09 -1.26 -1.78 121.20 122.13 2dbk s ILE 42 Ca 0.02 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.50 2dbk s ILE 42 Cb -0.13 -3.66 0.08 0.00 -1.58 0.00 0.00 42.46 37.17 2dbk s ILE 42 CO -0.08 0.17 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.08 2dbk s VAL 43 N -0.15 2.15 -0.47 2.92 1.01 -0.36 -4.85 120.40 120.65 2dbk s VAL 43 Ca 0.54 -1.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 2dbk s VAL 43 Cb -0.36 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2dbk s VAL 43 CO 0.40 -0.30 0.69 -0.75 0.00 0.00 0.00 175.10 175.14 2dbk s LYS 44 N 1.04 3.26 -0.11 2.72 2.20 -1.26 -1.39 119.74 126.21 2dbk s LYS 44 Ca 0.00 -0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 2dbk s LYS 44 Cb -0.19 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2dbk s LYS 44 CO -0.07 -1.12 -0.01 0.54 -0.36 0.00 0.00 175.35 174.33 2dbk s VAL 45 N 2.95 4.19 -0.15 4.02 0.11 -1.13 -2.37 120.40 128.02 2dbk s VAL 45 Ca 0.23 -0.28 0.15 0.00 -2.93 0.00 0.00 61.98 59.15 2dbk s VAL 45 Cb -0.15 -2.79 -0.21 0.00 -1.53 0.00 0.00 36.38 31.70 2dbk s VAL 45 CO 0.18 0.56 0.08 0.35 -3.33 0.00 0.00 175.10 172.94 2dbk n THR 46 N 2.68 1.02 -3.64 5.04 -2.24 -1.09 -3.87 114.28 112.19 2dbk n THR 46 Ca -0.18 -0.67 -0.39 0.00 -2.27 0.00 0.00 64.05 60.54 2dbk n THR 46 Cb 0.53 -0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.47 2.36 -0.61 -0.78 1.81 -1.25 -5.02 118.95 113.00 2dbk s ARG 47 Ca -0.08 -1.88 -0.20 0.00 -1.72 0.00 0.00 55.73 51.85 2dbk s ARG 47 Cb 0.05 -3.81 0.09 0.00 -0.45 0.00 0.00 34.95 30.83 2dbk s ARG 47 CO 0.67 -1.16 0.79 -1.64 -0.68 0.00 0.00 175.30 173.29 2dbk s MET 48 N 1.11 3.07 0.78 3.54 -1.94 -1.26 -2.45 119.30 122.16 2dbk s MET 48 Ca 0.08 -1.13 -0.11 0.00 -1.71 0.00 0.00 55.69 52.82 2dbk s MET 48 Cb -0.24 -4.25 0.06 0.00 2.01 0.00 0.00 34.83 32.42 2dbk s MET 48 CO -0.02 -1.62 1.08 -0.80 -0.01 0.00 0.00 175.02 173.65 2dbk s ASN 49 N 3.60 4.51 0.00 3.03 0.01 -1.25 -4.96 114.94 119.88 2dbk s ASN 49 Ca 0.15 1.64 0.24 0.00 -0.71 0.00 0.00 52.86 54.19 2dbk s ASN 49 Cb -0.21 -2.39 0.29 0.00 0.41 0.00 0.00 41.25 39.35 2dbk s ASN 49 CO 0.08 -2.00 1.27 2.30 -1.51 0.00 0.00 177.10 177.24 2dbk n ILE 50 N -3.49 0.00 -0.03 0.60 -5.35 -1.26 -4.23 119.36 105.61 2dbk n ILE 50 Ca 0.08 -0.15 -0.16 0.00 -0.27 0.00 0.00 62.75 62.25 2dbk n ILE 50 Cb 0.54 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.17 2dbk n ILE 50 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2dbk h ASN 51 N 1.44 0.57 0.00 7.28 -1.24 -2.03 -3.48 115.58 118.12 2dbk h ASN 51 Ca 0.00 -0.65 0.00 0.00 0.71 0.00 0.00 56.30 56.36 2dbk h ASN 51 Cb 0.61 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2dbk h ASN 51 CO 0.00 1.13 0.00 0.61 -1.29 0.00 0.00 177.43 177.88 2dbk n GLY 52 N 0.74 1.68 3.83 1.57 0.00 -1.26 -5.14 105.19 106.61 2dbk n GLY 52 Ca -0.08 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2dbk n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dbk s GLN 53 N 0.00 4.15 0.40 1.61 0.00 -1.26 -4.24 119.66 120.32 2dbk s GLN 53 Ca 0.00 0.81 0.07 0.00 -0.00 0.00 0.00 55.36 56.25 2dbk s GLN 53 Cb 0.00 -2.62 -0.08 0.00 0.00 0.00 0.00 33.01 30.31 2dbk s GLN 53 CO 0.00 0.25 0.01 -1.58 0.00 0.00 0.00 175.29 173.97 2dbk s TRP 54 N -1.78 2.51 -0.29 9.60 0.51 -1.22 -3.95 118.94 124.32 2dbk s TRP 54 Ca 0.50 -0.63 -0.05 0.00 -2.12 0.00 0.00 56.10 53.80 2dbk s TRP 54 Cb -0.13 -1.72 0.02 0.00 -0.81 0.00 0.00 33.47 30.83 2dbk s TRP 54 CO 0.19 0.45 0.04 -2.00 -0.51 0.00 0.00 176.95 175.12 2dbk s GLU 55 N -3.71 2.86 0.07 4.98 2.12 -1.02 -3.23 118.70 120.77 2dbk s GLU 55 Ca 0.35 -1.00 0.02 0.00 0.36 0.00 0.00 54.97 54.70 2dbk s GLU 55 Cb 0.08 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2dbk s GLU 55 CO 0.18 -0.50 -0.07 0.20 -0.54 0.00 0.00 175.26 174.54 2dbk s GLY 56 N 1.41 0.62 -0.13 -1.50 0.00 -1.25 -2.68 107.32 103.79 2dbk s GLY 56 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 2dbk s GLY 56 CO 0.00 -1.15 0.02 1.85 0.00 0.00 0.00 173.10 173.83 2dbk s GLU 57 N -2.79 3.44 -0.06 2.90 -6.30 -1.00 -3.26 118.70 111.63 2dbk s GLU 57 Ca 0.01 -0.40 -0.18 0.00 -2.50 0.00 0.00 54.97 51.90 2dbk s GLU 57 Cb -0.02 -2.96 0.04 0.00 0.00 0.00 0.00 34.13 31.19 2dbk s GLU 57 CO -0.03 0.49 0.42 0.08 0.02 0.00 0.00 175.26 176.24 2dbk s VAL 58 N -0.28 0.03 -0.51 3.70 1.01 -0.56 -4.04 120.40 119.75 2dbk s VAL 58 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2dbk s VAL 58 Cb -0.12 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.63 2dbk s VAL 58 CO 0.02 -0.14 0.16 -0.46 0.00 0.00 0.00 175.10 174.68 2dbk n ASN 59 N 1.63 -1.22 -1.85 3.32 0.23 -1.26 0.19 115.26 116.29 2dbk n ASN 59 Ca -0.19 0.03 -0.11 0.00 -0.53 0.00 0.00 54.58 53.78 2dbk n ASN 59 Cb 0.56 -1.16 0.03 0.00 -2.08 0.00 0.00 39.78 37.14 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dbk n GLY 60 N -0.65 0.22 2.99 4.83 0.00 -1.26 -5.03 105.19 106.29 2dbk n GLY 60 Ca 0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.49 0.14 -0.30 1.61 0.52 0.49 -5.13 118.95 110.79 2dbk s ARG 61 Ca 0.24 0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 56.09 2dbk s ARG 61 Cb -0.11 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.30 2dbk s ARG 61 CO 0.30 -0.28 0.11 0.15 0.02 0.00 0.00 175.30 175.60 2dbk s LYS 62 N 2.34 3.21 0.25 3.54 1.02 -1.26 -1.50 119.74 127.34 2dbk s LYS 62 Ca 0.01 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 2dbk s LYS 62 Cb -0.12 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 2dbk s LYS 62 CO -0.08 -0.43 0.52 0.20 -0.92 0.00 0.00 175.35 174.64 2dbk s GLY 63 N 1.55 0.40 -0.20 -3.33 0.00 -1.20 -4.94 107.32 99.60 2dbk s GLY 63 Ca 0.04 -0.76 -0.26 0.00 0.00 0.00 0.00 44.72 43.74 2dbk s GLY 63 CO 0.04 -0.52 0.86 1.08 0.00 0.00 0.00 173.10 174.57 2dbk s LEU 64 N -3.00 4.13 0.06 0.66 1.43 0.32 -3.77 118.68 118.52 2dbk s LEU 64 Ca 0.20 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.55 2dbk s LEU 64 Cb -0.02 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 2dbk s LEU 64 CO 0.08 -0.48 -0.26 0.72 0.23 0.00 0.00 176.35 176.65 2dbk s PHE 65 N 2.54 2.25 0.30 0.29 -0.71 -1.20 -2.39 117.98 119.06 2dbk s PHE 65 Ca 0.38 -0.40 -0.29 0.00 -1.04 0.00 0.00 56.93 55.58 2dbk s PHE 65 Cb -0.16 -1.32 -0.10 0.00 -1.21 0.00 0.00 43.02 40.23 2dbk s PHE 65 CO 0.10 0.17 1.23 -1.25 -1.34 0.00 0.00 175.22 174.13 2dbk s PRO 66 N -1.41 4.46 0.42 1.99 0.04 -1.26 -3.38 135.00 135.86 2dbk s PRO 66 Ca 0.12 2.06 0.26 0.00 0.04 0.00 0.00 61.00 63.47 2dbk s PRO 66 Cb -0.10 -3.12 0.63 0.00 0.04 0.00 0.00 34.50 31.95 2dbk s PRO 66 CO 0.03 -0.05 1.71 0.27 0.04 0.00 0.00 177.00 179.00 2dbk h PHE 67 N 3.71 0.00 0.00 0.56 -0.00 -1.88 -3.02 116.94 116.30 2dbk h PHE 67 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2dbk h PHE 67 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 2dbk h PHE 67 CO 0.57 0.00 0.00 -2.37 -0.00 0.00 0.00 178.31 176.51 2dbk n THR 68 N -2.95 0.23 -0.03 0.88 5.66 -1.26 -2.69 114.28 114.12 2dbk n THR 68 Ca 0.03 0.06 0.05 0.00 -3.05 0.00 0.00 64.05 61.15 2dbk n THR 68 Cb 0.46 -0.67 -0.15 0.00 -1.55 0.00 0.00 70.33 68.42 2dbk n THR 68 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2dbk n HIS 69 N -1.25 0.00 -4.39 1.09 8.25 -1.14 -4.98 115.22 112.80 2dbk n HIS 69 Ca 0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.32 2dbk n HIS 69 Cb 0.17 -0.55 -0.12 0.00 1.12 0.00 0.00 29.99 30.62 2dbk n HIS 69 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dbk s VAL 70 N -3.14 2.19 -0.05 1.59 -7.23 -1.09 -2.79 120.40 109.88 2dbk s VAL 70 Ca -0.08 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2dbk s VAL 70 Cb 0.11 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 2dbk s VAL 70 CO 0.79 -0.10 -0.21 -1.59 -0.31 0.00 0.00 175.10 173.68 2dbk s LYS 71 N -2.50 2.45 -0.36 4.82 -2.85 -0.99 -4.83 119.74 115.47 2dbk s LYS 71 Ca 0.17 -0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 2dbk s LYS 71 Cb -0.08 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 2dbk s LYS 71 CO 0.08 0.52 1.48 0.42 0.10 0.00 0.00 175.35 177.95 2dbk s ILE 72 N -0.48 3.84 0.40 3.79 -1.09 -1.26 -2.87 121.20 123.52 2dbk s ILE 72 Ca 0.06 0.88 0.08 0.00 -2.23 0.00 0.00 60.65 59.44 2dbk s ILE 72 Cb -0.11 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.64 2dbk s ILE 72 CO 0.01 -0.61 0.02 0.72 -1.23 0.00 0.00 174.94 173.85 2dbk s PHE 73 N 5.50 2.52 -0.70 3.97 -0.71 -1.24 -5.03 117.98 122.28 2dbk s PHE 73 Ca 0.65 -0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 55.85 2dbk s PHE 73 Cb -0.17 -1.73 0.18 0.00 -1.21 0.00 0.00 43.02 40.09 2dbk s PHE 73 CO 0.31 0.43 0.56 -0.51 -1.34 0.00 0.00 175.22 174.67 2dbk s ASP 74 N -3.73 5.79 0.22 1.98 1.11 -1.26 -4.71 116.67 116.06 2dbk s ASP 74 Ca 0.36 -2.81 -0.02 0.00 0.18 0.00 0.00 52.55 50.26 2dbk s ASP 74 Cb 0.07 -1.98 0.20 0.00 1.07 0.00 0.00 42.92 42.28 2dbk s ASP 74 CO 0.19 -0.44 1.58 1.55 1.18 0.00 0.00 175.17 179.23 2dbk h PRO 75 N 7.28 0.56 -1.12 8.23 0.13 -1.99 -3.05 132.00 142.03 2dbk h PRO 75 Ca 0.03 -0.29 -0.46 0.00 -0.87 0.00 0.00 66.00 64.41 2dbk h PRO 75 Cb 0.98 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 31.89 2dbk h PRO 75 CO 0.73 0.88 0.58 1.04 -0.23 0.00 0.00 178.00 181.00 2dbk n GLN 76 N -4.02 2.12 -0.96 0.86 6.02 -1.26 -4.97 117.38 115.17 2dbk n GLN 76 Ca -0.02 -2.40 -0.22 0.00 -0.01 0.00 0.00 57.00 54.36 2dbk n GLN 76 Cb 0.53 -1.94 -0.12 0.00 1.02 0.00 0.00 30.24 29.73 2dbk n GLN 76 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2dbk n ASN 77 N -0.56 -0.25 0.00 1.08 0.23 -1.16 -4.66 115.26 109.95 2dbk n ASN 77 Ca 0.47 -0.06 0.08 0.00 -0.53 0.00 0.00 54.58 54.53 2dbk n ASN 77 Cb 1.02 -0.49 0.44 0.00 -2.08 0.00 0.00 39.78 38.67 2dbk n ASN 77 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2dbk n PRO 78 N 4.71 0.42 -3.70 -0.53 -0.04 -1.26 -4.71 135.00 129.89 2dbk n PRO 78 Ca 0.43 0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2dbk n PRO 78 Cb 0.05 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.93 2dbk n PRO 78 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dbk s ASP 79 N -2.13 -0.30 -0.60 3.54 1.47 -1.26 -5.06 116.67 112.33 2dbk s ASP 79 Ca 0.21 0.22 0.01 0.00 1.18 0.00 0.00 52.55 54.17 2dbk s ASP 79 Cb 0.11 0.37 0.43 0.00 -0.34 0.00 0.00 42.92 43.48 2dbk s ASP 79 CO 0.19 -0.50 1.77 -1.84 0.68 0.00 0.00 175.17 175.47 2dbk n GLU 80 N 1.14 2.98 -3.61 2.11 0.28 -1.26 -4.96 120.64 117.32 2dbk n GLU 80 Ca -0.21 -3.64 -0.16 0.00 -0.16 0.00 0.00 57.16 52.99 2dbk n GLU 80 Cb 0.56 -2.28 -0.07 0.00 1.43 0.00 0.00 31.44 31.09 2dbk n GLU 80 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2dbk s ASN 81 N -2.23 -0.47 0.46 -1.84 -0.87 -1.26 -5.05 114.94 103.69 2dbk s ASN 81 Ca 0.58 0.42 0.04 0.00 -1.57 0.00 0.00 52.86 52.33 2dbk s ASN 81 Cb 0.46 0.46 -0.05 0.00 -0.02 0.00 0.00 41.25 42.10 2dbk s ASN 81 CO -0.10 -0.57 0.01 -1.83 -2.57 0.00 0.00 177.10 172.04 2dbk s GLU 82 N -1.44 2.08 -0.18 -0.60 1.03 -1.26 -5.08 118.70 113.25 2dbk s GLU 82 Ca -0.11 -2.25 -0.20 0.00 0.03 0.00 0.00 54.97 52.44 2dbk s GLU 82 Cb -0.02 -1.59 -0.17 0.00 -0.80 0.00 0.00 34.13 31.55 2dbk s GLU 82 CO 0.06 -0.21 0.27 0.77 -1.33 0.00 0.00 175.26 174.82 2dbk h SER 83 N 1.55 0.00 -4.67 0.83 0.02 -2.01 -3.51 113.55 105.76 2dbk h SER 83 Ca -0.44 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 2dbk h SER 83 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2dbk h SER 83 CO 0.77 1.21 0.00 0.61 -1.14 0.00 0.00 176.83 178.29 2dbk n GLY 84 N 1.52 3.81 3.76 -3.77 0.00 -1.26 -5.09 105.19 104.16 2dbk n GLY 84 Ca -0.22 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 2dbk n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 85 N -3.93 4.46 0.09 1.61 0.04 -1.26 -5.02 135.00 130.99 2dbk s PRO 85 Ca 0.00 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2dbk s PRO 85 Cb 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2dbk s PRO 85 CO 0.00 -0.06 -0.09 -1.54 0.04 0.00 0.00 177.00 175.35 2dbk s SER 86 N -0.47 1.26 0.35 6.66 1.04 -1.26 -5.16 113.70 116.12 2dbk s SER 86 Ca 0.49 -0.82 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 2dbk s SER 86 Cb -0.37 0.04 0.03 0.00 0.10 0.00 0.00 66.02 65.83 2dbk s SER 86 CO 0.46 -0.31 0.69 -0.55 0.98 0.00 0.00 173.24 174.51 2dbk s SER 87 N -2.47 0.13 0.00 7.02 0.15 -1.26 -5.30 113.70 111.98 2dbk s SER 87 Ca 0.05 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2dbk s SER 87 Cb -0.02 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2dbk s SER 87 CO -0.01 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.53