#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 0.43 0.08 1.61 0.01 -1.26 -5.17 113.70 109.40 2dbk s SER 2 Ca 0.00 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.37 2dbk s SER 2 Cb 0.00 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2dbk s SER 2 CO 0.00 -0.56 -0.07 -0.44 0.41 0.00 0.00 173.24 172.58 2dbk s SER 3 N -2.70 1.06 0.00 2.44 0.01 -1.26 -5.12 113.70 108.13 2dbk s SER 3 Ca 0.04 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2dbk s SER 3 Cb 0.05 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2dbk s SER 3 CO -0.09 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2dbk n GLY 4 N 0.34 0.51 4.12 3.44 0.00 -1.26 -4.95 105.19 107.39 2dbk n GLY 4 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2dbk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbk n SER 5 N -0.84 -1.36 -0.11 1.61 7.64 -1.26 -4.87 113.62 114.42 2dbk n SER 5 Ca 0.00 -1.05 -0.22 0.00 1.01 0.00 0.00 58.87 58.62 2dbk n SER 5 Cb 0.00 -2.74 -0.08 0.00 -1.01 0.00 0.00 64.21 60.38 2dbk n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbk n SER 6 N -2.84 1.92 -3.18 6.43 2.88 -1.26 -4.73 113.62 112.84 2dbk n SER 6 Ca -0.15 0.39 -0.27 0.00 -1.33 0.00 0.00 58.87 57.51 2dbk n SER 6 Cb 0.61 -0.85 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 2dbk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbk n GLY 7 N 1.37 5.14 3.67 0.46 0.00 -1.26 -5.09 105.19 109.48 2dbk n GLY 7 Ca -0.37 -2.73 -0.29 0.00 0.00 0.00 0.00 46.02 42.63 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 -2.93 0.35 0.07 1.61 0.04 -1.26 -5.07 135.00 127.80 2dbk s PRO 8 Ca 0.44 0.49 0.09 0.00 0.04 0.00 0.00 61.00 62.07 2dbk s PRO 8 Cb 0.22 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 2dbk s PRO 8 CO -0.08 -2.78 -0.23 -0.48 0.04 0.00 0.00 177.00 173.47 2dbk s LEU 9 N -6.48 2.37 0.35 -3.56 2.34 -1.26 -5.12 118.68 107.32 2dbk s LEU 9 Ca 0.65 -0.58 -0.27 0.00 0.06 0.00 0.00 54.13 53.99 2dbk s LEU 9 Cb -0.19 -1.36 -0.09 0.00 -0.56 0.00 0.00 46.19 43.99 2dbk s LEU 9 CO 0.58 0.23 1.21 -2.16 -1.06 0.00 0.00 176.35 175.15 2dbk s PRO 10 N -1.56 4.28 -0.33 1.48 0.04 -1.26 -4.98 135.00 132.66 2dbk s PRO 10 Ca 0.14 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 2dbk s PRO 10 Cb -0.10 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.53 2dbk s PRO 10 CO 0.05 -0.17 1.09 -1.12 0.04 0.00 0.00 177.00 176.89 2dbk s SER 11 N -0.83 6.89 0.30 6.66 0.01 -1.26 -4.91 113.70 120.55 2dbk s SER 11 Ca 0.52 1.00 -0.02 0.00 1.31 0.00 0.00 55.95 58.75 2dbk s SER 11 Cb -0.35 -2.54 0.44 0.00 0.21 0.00 0.00 66.02 63.78 2dbk s SER 11 CO 0.45 -0.93 1.95 0.74 0.41 0.00 0.00 173.24 175.86 2dbk h THR 12 N 5.79 1.21 -3.34 1.44 2.02 -2.05 -3.40 112.91 114.59 2dbk h THR 12 Ca -0.21 -0.43 -0.62 0.00 0.77 0.00 0.00 66.41 65.92 2dbk h THR 12 Cb 1.06 0.08 -0.16 0.00 -1.74 0.00 0.00 68.15 67.39 2dbk h THR 12 CO 1.04 0.22 -0.56 -1.58 0.37 0.00 0.00 175.52 175.01 2dbk s GLN 13 N -5.84 3.98 0.03 6.66 2.00 -1.26 -5.03 119.66 120.21 2dbk s GLN 13 Ca -0.11 -0.33 -0.15 0.00 -2.00 0.00 0.00 55.36 52.76 2dbk s GLN 13 Cb 0.18 -3.27 -0.08 0.00 0.80 0.00 0.00 33.01 30.64 2dbk s GLN 13 CO 0.79 0.23 1.23 -0.97 -0.50 0.00 0.00 175.29 176.07 2dbk h ASN 14 N 6.86 -0.55 -3.31 6.67 -1.24 -1.99 -3.47 115.58 118.54 2dbk h ASN 14 Ca -0.37 0.04 0.11 0.00 0.71 0.00 0.00 56.30 56.79 2dbk h ASN 14 Cb 1.17 0.17 -0.27 0.00 0.73 0.00 0.00 38.32 40.12 2dbk h ASN 14 CO 0.70 -0.30 0.63 -0.83 -1.29 0.00 0.00 177.43 176.34 2dbk s GLY 15 N -1.44 -0.07 0.65 1.57 0.00 -1.26 -4.92 107.32 101.84 2dbk s GLY 15 Ca -0.08 2.63 -0.15 0.00 0.00 0.00 0.00 44.72 47.12 2dbk s GLY 15 CO 0.25 1.49 1.11 2.56 0.00 0.00 0.00 173.10 178.51 2dbk s PRO 16 N -0.43 2.86 -0.00 2.90 0.04 -1.26 -5.00 135.00 134.11 2dbk s PRO 16 Ca 0.03 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 2dbk s PRO 16 Cb -0.03 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2dbk s PRO 16 CO -0.05 -1.21 0.87 0.08 0.04 0.00 0.00 177.00 176.73 2dbk s VAL 17 N -2.28 4.86 -0.20 -0.36 1.01 -1.22 -4.95 120.40 117.26 2dbk s VAL 17 Ca 0.68 1.83 -0.06 0.00 0.00 0.00 0.00 61.98 64.43 2dbk s VAL 17 Cb -0.21 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2dbk s VAL 17 CO 0.40 0.23 0.03 -0.36 0.00 0.00 0.00 175.10 175.40 2dbk s PHE 18 N 0.71 3.11 -0.06 5.22 0.40 -1.26 -3.11 117.98 122.99 2dbk s PHE 18 Ca 0.46 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 2dbk s PHE 18 Cb -0.20 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.24 2dbk s PHE 18 CO 0.25 -0.14 -0.00 0.00 0.70 0.00 0.00 175.22 176.02 2dbk s ALA 19 N 0.92 0.63 0.27 5.36 0.00 -1.11 -3.84 121.76 123.98 2dbk s ALA 19 Ca 0.02 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 2dbk s ALA 19 Cb -0.14 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.26 2dbk s ALA 19 CO 0.02 -0.33 0.84 0.21 0.00 0.00 0.00 175.76 176.51 2dbk s LYS 20 N 1.66 4.44 -0.18 0.00 2.20 -1.16 -0.52 119.74 126.18 2dbk s LYS 20 Ca 0.00 1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 56.44 2dbk s LYS 20 Cb -0.13 -2.87 -0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2dbk s LYS 20 CO -0.04 0.35 1.08 0.00 -0.36 0.00 0.00 175.35 176.38 2dbk s ALA 21 N -1.54 3.61 -0.04 3.13 0.00 0.43 -1.68 121.76 125.66 2dbk s ALA 21 Ca 0.46 0.30 0.13 0.00 0.00 0.00 0.00 51.96 52.85 2dbk s ALA 21 Cb -0.18 -3.54 -0.20 0.00 0.00 0.00 0.00 23.12 19.20 2dbk s ALA 21 CO 0.23 -0.96 0.80 -0.84 0.00 0.00 0.00 175.76 174.99 2dbk h ILE 22 N 5.35 0.88 -0.58 0.00 3.07 -1.86 -0.96 117.51 123.41 2dbk h ILE 22 Ca -0.24 -2.63 -0.59 0.00 1.55 0.00 0.00 64.86 62.96 2dbk h ILE 22 Cb 1.09 2.39 -0.05 0.00 -0.27 0.00 0.00 36.82 39.98 2dbk h ILE 22 CO 0.95 0.50 -0.31 -1.10 -1.05 0.00 0.00 178.15 177.13 2dbk s GLN 23 N -2.69 2.26 -0.21 0.16 -0.21 -1.23 -4.76 119.66 112.98 2dbk s GLN 23 Ca -0.03 -2.03 -0.04 0.00 0.02 0.00 0.00 55.36 53.28 2dbk s GLN 23 Cb 0.08 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 2dbk s GLN 23 CO 0.82 -0.59 -0.02 0.21 -2.12 0.00 0.00 175.29 173.58 2dbk s LYS 24 N -4.26 3.49 -0.16 2.91 2.20 -1.26 -3.47 119.74 119.20 2dbk s LYS 24 Ca 0.33 -0.58 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 2dbk s LYS 24 Cb -0.02 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 2dbk s LYS 24 CO 0.20 -0.09 0.05 1.03 -0.36 0.00 0.00 175.35 176.18 2dbk s ARG 25 N 1.23 3.74 -0.40 4.03 1.81 -0.80 -5.02 118.95 123.54 2dbk s ARG 25 Ca 0.03 -0.36 0.02 0.00 -1.72 0.00 0.00 55.73 53.70 2dbk s ARG 25 Cb -0.14 -3.11 0.12 0.00 -0.45 0.00 0.00 34.95 31.37 2dbk s ARG 25 CO -0.00 0.39 0.19 0.08 -0.68 0.00 0.00 175.30 175.27 2dbk s VAL 26 N 0.04 1.40 0.67 3.52 1.01 -1.26 -3.51 120.40 122.27 2dbk s VAL 26 Ca 0.05 -2.30 -0.14 0.00 0.00 0.00 0.00 61.98 59.58 2dbk s VAL 26 Cb -0.12 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2dbk s VAL 26 CO 0.01 -0.81 1.11 -2.16 0.00 0.00 0.00 175.10 173.24 2dbk s PRO 27 N 0.67 2.74 0.86 2.72 0.04 -1.26 -5.04 135.00 135.73 2dbk s PRO 27 Ca 0.15 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 2dbk s PRO 27 Cb -0.22 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.48 2dbk s PRO 27 CO -0.06 -1.29 1.15 0.00 0.04 0.00 0.00 177.00 176.84 2dbk h ALA 29 N -1.29 0.06 -0.70 0.00 0.00 -2.02 -3.18 119.26 112.14 2dbk h ALA 29 Ca -0.48 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 2dbk h ALA 29 Cb 1.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2dbk h ALA 29 CO 0.64 -0.23 0.16 0.10 0.00 0.00 0.00 179.25 179.91 2dbk h TYR 30 N -0.25 1.18 -2.58 0.00 -0.00 -2.05 -3.42 116.97 109.85 2dbk h TYR 30 Ca 0.01 -0.14 -0.54 0.00 -0.00 0.00 0.00 58.73 58.06 2dbk h TYR 30 Cb 0.39 -0.33 0.00 0.00 -0.00 0.00 0.00 36.73 36.79 2dbk h TYR 30 CO 0.05 0.96 1.10 0.34 -0.00 0.00 0.00 178.16 180.61 2dbk s ASP 31 N -6.48 6.63 -0.03 0.10 -1.08 -1.20 -4.85 116.67 109.76 2dbk s ASP 31 Ca -0.12 2.34 0.08 0.00 -0.52 0.00 0.00 52.55 54.33 2dbk s ASP 31 Cb 0.15 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.95 2dbk s ASP 31 CO 0.85 -0.94 0.14 0.29 0.52 0.00 0.00 175.17 176.03 2dbk n LYS 32 N 7.01 0.85 0.15 4.34 4.01 -1.26 -4.54 118.16 128.71 2dbk n LYS 32 Ca 0.17 -0.06 0.03 0.00 -0.51 0.00 0.00 58.31 57.95 2dbk n LYS 32 Cb 0.42 -1.19 0.10 0.00 -0.51 0.00 0.00 35.03 33.85 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 0.87 -3.10 -0.18 1.35 -1.91 -3.44 112.91 106.50 2dbk h THR 33 Ca -0.05 -2.07 -0.57 0.00 -0.55 0.00 0.00 66.41 63.17 2dbk h THR 33 Cb 0.64 2.32 -0.04 0.00 -1.73 0.00 0.00 68.15 69.33 2dbk h THR 33 CO 0.00 0.47 1.11 0.00 -0.25 0.00 0.00 175.52 176.85 2dbk s ALA 34 N -3.10 3.06 0.28 6.62 0.00 -1.26 -0.20 121.76 127.15 2dbk s ALA 34 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 2dbk s ALA 34 Cb 0.08 -3.94 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 2dbk s ALA 34 CO 0.73 -2.35 1.12 -1.17 0.00 0.00 0.00 175.76 174.08 2dbk s LEU 35 N 5.62 4.54 -0.09 0.00 0.20 -1.22 -4.77 118.68 122.98 2dbk s LEU 35 Ca 0.66 2.30 -0.12 0.00 0.69 0.00 0.00 54.13 57.66 2dbk s LEU 35 Cb -0.17 -3.63 -0.05 0.00 -0.43 0.00 0.00 46.19 41.92 2dbk s LEU 35 CO 0.32 -0.18 0.27 0.00 -0.29 0.00 0.00 176.35 176.48 2dbk s ALA 36 N -1.14 3.74 0.06 5.97 0.00 -1.26 -4.76 121.76 124.38 2dbk s ALA 36 Ca 0.45 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 2dbk s ALA 36 Cb -0.33 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2dbk s ALA 36 CO 0.42 0.43 0.05 -0.51 0.00 0.00 0.00 175.76 176.16 2dbk s LEU 37 N -0.67 2.07 0.03 0.00 1.43 -1.23 -4.99 118.68 115.32 2dbk s LEU 37 Ca 0.18 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 2dbk s LEU 37 Cb -0.14 0.52 -0.02 0.00 0.03 0.00 0.00 46.19 46.58 2dbk s LEU 37 CO 0.07 -0.64 -0.08 -1.83 0.23 0.00 0.00 176.35 174.11 2dbk s GLU 38 N -3.79 0.55 -0.55 1.70 -1.05 -1.26 -1.90 118.70 112.40 2dbk s GLU 38 Ca 0.05 -0.57 -0.42 0.00 -0.15 0.00 0.00 54.97 53.88 2dbk s GLU 38 Cb 0.06 -0.42 -0.19 0.00 -0.44 0.00 0.00 34.13 33.14 2dbk s GLU 38 CO -0.10 0.10 2.21 0.28 0.95 0.00 0.00 175.26 178.70 2dbk n VAL 39 N 2.00 0.01 -0.05 1.83 0.31 -1.23 -2.18 118.33 119.02 2dbk n VAL 39 Ca -0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2dbk n VAL 39 Cb 0.56 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 7.31 0.56 2.95 2.92 0.00 -0.37 -5.03 105.19 113.53 2dbk n GLY 40 Ca 0.55 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.17 1.87 -0.33 1.61 1.11 -0.93 -4.91 116.67 113.93 2dbk s ASP 41 Ca 0.00 -0.28 -0.29 0.00 0.18 0.00 0.00 52.55 52.16 2dbk s ASP 41 Cb 0.00 -0.78 0.02 0.00 1.07 0.00 0.00 42.92 43.22 2dbk s ASP 41 CO 0.00 -0.05 1.11 -0.63 1.18 0.00 0.00 175.17 176.78 2dbk s ILE 42 N 1.21 4.44 -0.43 0.77 -1.09 -1.26 -0.43 121.20 124.41 2dbk s ILE 42 Ca -0.05 1.64 -0.17 0.00 -2.23 0.00 0.00 60.65 59.85 2dbk s ILE 42 Cb -0.14 -4.39 0.03 0.00 -1.58 0.00 0.00 42.46 36.38 2dbk s ILE 42 CO -0.02 -0.51 0.43 -0.69 -1.23 0.00 0.00 174.94 172.92 2dbk s VAL 43 N 3.80 5.10 -0.48 2.92 1.01 0.32 -4.87 120.40 128.20 2dbk s VAL 43 Ca 0.47 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 2dbk s VAL 43 Cb -0.13 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dbk s VAL 43 CO 0.17 -0.45 0.70 -0.75 0.00 0.00 0.00 175.10 174.78 2dbk s LYS 44 N 2.09 3.26 -0.12 2.72 2.20 -1.26 -2.76 119.74 125.87 2dbk s LYS 44 Ca 0.11 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 2dbk s LYS 44 Cb -0.18 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2dbk s LYS 44 CO 0.13 -1.16 -0.01 0.54 -0.36 0.00 0.00 175.35 174.49 2dbk s VAL 45 N 3.01 4.22 -0.15 4.02 0.11 -1.18 -2.20 120.40 128.23 2dbk s VAL 45 Ca 0.23 -0.26 0.13 0.00 -2.93 0.00 0.00 61.98 59.14 2dbk s VAL 45 Cb -0.15 -2.81 -0.18 0.00 -1.53 0.00 0.00 36.38 31.70 2dbk s VAL 45 CO 0.18 0.55 0.04 0.35 -3.33 0.00 0.00 175.10 172.88 2dbk n THR 46 N 2.81 1.04 -4.59 5.04 -2.24 -1.19 -3.39 114.28 111.77 2dbk n THR 46 Ca -0.18 -0.63 -0.24 0.00 -2.27 0.00 0.00 64.05 60.73 2dbk n THR 46 Cb 0.53 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.37 1.46 -0.33 -0.78 0.52 -1.25 -5.00 118.95 111.20 2dbk s ARG 47 Ca -0.08 -0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2dbk s ARG 47 Cb 0.05 -1.27 0.07 0.00 0.52 0.00 0.00 34.95 34.32 2dbk s ARG 47 CO 0.61 0.12 0.05 -1.64 0.02 0.00 0.00 175.30 174.46 2dbk s MET 48 N 0.33 2.15 0.48 3.54 -1.94 -1.26 -1.63 119.30 120.98 2dbk s MET 48 Ca -0.07 -1.51 -0.23 0.00 -1.71 0.00 0.00 55.69 52.16 2dbk s MET 48 Cb -0.12 -3.26 -0.07 0.00 2.01 0.00 0.00 34.83 33.40 2dbk s MET 48 CO 0.02 -0.78 1.25 -0.80 -0.01 0.00 0.00 175.02 174.70 2dbk s ASN 49 N 1.33 5.86 0.14 3.03 0.01 -1.23 -4.94 114.94 119.14 2dbk s ASN 49 Ca 0.00 2.51 -0.17 0.00 -0.71 0.00 0.00 52.86 54.49 2dbk s ASN 49 Cb -0.20 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.83 2dbk s ASN 49 CO -0.03 -1.14 1.74 0.40 -1.51 0.00 0.00 177.10 176.55 2dbk h ILE 50 N 1.78 1.15 -0.80 0.60 5.03 -1.99 -3.07 117.51 120.21 2dbk h ILE 50 Ca -0.50 -0.39 0.12 0.00 -0.12 0.00 0.00 64.86 63.97 2dbk h ILE 50 Cb 1.27 0.72 -0.12 0.00 -3.03 0.00 0.00 36.82 35.65 2dbk h ILE 50 CO 0.59 0.15 -0.34 -3.20 -0.68 0.00 0.00 178.15 174.68 2dbk n ASN 51 N -4.75 -0.57 0.00 1.72 5.15 -1.26 -4.83 115.26 110.72 2dbk n ASN 51 Ca -0.00 1.40 0.00 0.00 -0.60 0.00 0.00 54.58 55.38 2dbk n ASN 51 Cb 0.08 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 2dbk n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dbk n GLY 52 N -1.35 0.29 3.77 8.20 0.00 -1.16 -5.14 105.19 109.80 2dbk n GLY 52 Ca 0.07 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 4.27 0.46 1.61 0.00 -1.26 -4.71 119.66 120.03 2dbk s GLN 53 Ca 0.00 1.85 0.07 0.00 -0.00 0.00 0.00 55.36 57.29 2dbk s GLN 53 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 33.01 30.16 2dbk s GLN 53 CO 0.00 -0.14 0.44 -1.58 0.00 0.00 0.00 175.29 174.01 2dbk s TRP 54 N -1.33 2.36 -0.35 9.60 0.51 -1.25 -3.49 118.94 124.99 2dbk s TRP 54 Ca 0.53 -0.58 -0.05 0.00 -2.12 0.00 0.00 56.10 53.87 2dbk s TRP 54 Cb -0.31 -2.13 0.06 0.00 -0.81 0.00 0.00 33.47 30.27 2dbk s TRP 54 CO 0.40 -0.32 0.12 -2.00 -0.51 0.00 0.00 176.95 174.65 2dbk s GLU 55 N -4.23 2.46 0.17 4.98 2.12 -0.64 -3.70 118.70 119.87 2dbk s GLU 55 Ca 0.47 -1.35 0.06 0.00 0.36 0.00 0.00 54.97 54.51 2dbk s GLU 55 Cb -0.04 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2dbk s GLU 55 CO 0.28 -0.77 -0.13 0.20 -0.54 0.00 0.00 175.26 174.30 2dbk s GLY 56 N 1.55 1.26 -0.15 -1.50 0.00 -1.24 -3.14 107.32 104.10 2dbk s GLY 56 Ca -0.00 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.19 2dbk s GLY 56 CO 0.01 -1.64 -0.21 1.85 0.00 0.00 0.00 173.10 173.11 2dbk s GLU 57 N -3.50 3.05 -0.06 2.90 -6.30 -0.93 -2.70 118.70 111.15 2dbk s GLU 57 Ca 0.18 -0.83 -0.03 0.00 -2.50 0.00 0.00 54.97 51.79 2dbk s GLU 57 Cb -0.00 -2.48 0.04 0.00 0.00 0.00 0.00 34.13 31.68 2dbk s GLU 57 CO 0.04 -0.03 0.14 0.08 0.02 0.00 0.00 175.26 175.51 2dbk s VAL 58 N 0.87 -0.06 -1.06 3.70 1.01 0.11 -4.14 120.40 120.83 2dbk s VAL 58 Ca -0.05 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 2dbk s VAL 58 Cb -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.00 2dbk s VAL 58 CO -0.03 0.08 0.90 0.59 0.00 0.00 0.00 175.10 176.64 2dbk n ASN 59 N 4.24 -3.76 -3.25 3.32 3.02 -1.26 -2.59 115.26 114.99 2dbk n ASN 59 Ca -0.26 -0.48 -0.23 0.00 -0.03 0.00 0.00 54.58 53.57 2dbk n ASN 59 Cb 0.51 -4.30 0.04 0.00 -0.61 0.00 0.00 39.78 35.43 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 -1.42 -0.53 3.23 7.41 0.00 -1.26 -4.98 105.19 107.65 2dbk n GLY 60 Ca -0.12 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 2dbk n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dbk s ARG 61 N -5.94 0.39 -0.16 1.61 6.06 -1.07 -5.15 118.95 114.70 2dbk s ARG 61 Ca 0.40 0.55 0.02 0.00 -2.50 0.00 0.00 55.73 54.21 2dbk s ARG 61 Cb -0.18 0.13 0.01 0.00 0.06 0.00 0.00 34.95 34.97 2dbk s ARG 61 CO 0.50 -0.08 -0.21 -1.59 -2.50 0.00 0.00 175.30 171.42 2dbk s LYS 62 N 0.52 3.01 0.26 5.12 -2.85 -1.26 0.04 119.74 124.57 2dbk s LYS 62 Ca -0.03 -0.84 -0.15 0.00 -1.00 0.00 0.00 55.97 53.96 2dbk s LYS 62 Cb -0.04 -2.50 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 2dbk s LYS 62 CO -0.03 -0.10 0.54 0.20 0.10 0.00 0.00 175.35 176.06 2dbk s GLY 63 N 1.01 0.41 -0.22 0.59 0.00 -1.10 -4.87 107.32 103.15 2dbk s GLY 63 Ca -0.02 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 2dbk s GLY 63 CO -0.06 -0.51 0.84 1.08 0.00 0.00 0.00 173.10 174.45 2dbk s LEU 64 N -3.00 4.11 0.01 0.66 1.43 0.71 -3.72 118.68 118.89 2dbk s LEU 64 Ca 0.20 1.11 0.08 0.00 -1.03 0.00 0.00 54.13 54.48 2dbk s LEU 64 Cb -0.02 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2dbk s LEU 64 CO 0.09 -0.49 -0.23 0.72 0.23 0.00 0.00 176.35 176.67 2dbk s PHE 65 N 2.63 2.08 0.19 0.29 -0.71 -1.24 -3.38 117.98 117.84 2dbk s PHE 65 Ca 0.37 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.56 2dbk s PHE 65 Cb -0.16 -1.29 -0.09 0.00 -1.21 0.00 0.00 43.02 40.28 2dbk s PHE 65 CO 0.09 0.04 1.31 -1.25 -1.34 0.00 0.00 175.22 174.07 2dbk s PRO 66 N -0.88 4.39 0.38 1.99 0.04 -1.26 -3.76 135.00 135.90 2dbk s PRO 66 Ca 0.09 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.33 2dbk s PRO 66 Cb -0.09 -3.20 0.75 0.00 0.04 0.00 0.00 34.50 32.00 2dbk s PRO 66 CO 0.01 -0.26 1.81 0.27 0.04 0.00 0.00 177.00 178.86 2dbk h PHE 67 N 5.51 0.00 0.00 0.56 -5.15 -1.90 -2.28 116.94 113.68 2dbk h PHE 67 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2dbk h PHE 67 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 2dbk h PHE 67 CO 0.62 0.37 0.00 -2.37 -2.00 0.00 0.00 178.31 174.94 2dbk n THR 68 N -3.89 0.59 -0.07 0.88 5.66 -1.26 -2.29 114.28 113.90 2dbk n THR 68 Ca -0.01 0.15 -0.08 0.00 -3.05 0.00 0.00 64.05 61.05 2dbk n THR 68 Cb 0.43 -0.89 -0.15 0.00 -1.55 0.00 0.00 70.33 68.17 2dbk n THR 68 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2dbk n HIS 69 N -1.31 0.24 -4.07 1.09 -0.00 -0.86 -4.95 115.22 105.36 2dbk n HIS 69 Ca 0.07 0.08 -0.32 0.00 -0.00 0.00 0.00 57.72 57.56 2dbk n HIS 69 Cb 0.13 -1.01 -0.07 0.00 -0.00 0.00 0.00 29.99 29.05 2dbk n HIS 69 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2dbk s VAL 70 N -2.60 4.65 -0.16 3.57 -7.23 -0.97 -2.75 120.40 114.91 2dbk s VAL 70 Ca -0.09 -0.59 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 2dbk s VAL 70 Cb 0.07 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 2dbk s VAL 70 CO 0.83 0.23 -0.08 -0.75 -0.31 0.00 0.00 175.10 175.02 2dbk s LYS 71 N -2.09 3.47 0.30 4.82 2.20 -0.68 -4.89 119.74 122.87 2dbk s LYS 71 Ca 0.27 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 2dbk s LYS 71 Cb -0.12 -2.82 -0.10 0.00 -1.51 0.00 0.00 37.83 33.28 2dbk s LYS 71 CO 0.19 0.12 1.20 0.42 -0.36 0.00 0.00 175.35 176.91 2dbk s ILE 72 N 0.64 3.16 0.12 5.43 -1.09 -1.26 -2.96 121.20 125.24 2dbk s ILE 72 Ca -0.05 1.15 -0.16 0.00 -2.23 0.00 0.00 60.65 59.37 2dbk s ILE 72 Cb -0.15 -3.73 0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2dbk s ILE 72 CO 0.03 0.27 0.39 0.72 -1.23 0.00 0.00 174.94 175.12 2dbk s PHE 73 N -1.07 -0.18 -0.39 3.97 -0.71 -1.25 -4.99 117.98 113.35 2dbk s PHE 73 Ca 0.47 -0.14 -0.29 0.00 -1.04 0.00 0.00 56.93 55.93 2dbk s PHE 73 Cb -0.35 0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.72 2dbk s PHE 73 CO 0.46 -0.70 1.20 -0.51 -1.34 0.00 0.00 175.22 174.33 2dbk s ASP 74 N -2.81 6.67 0.00 1.98 1.11 -1.26 -4.78 116.67 117.59 2dbk s ASP 74 Ca 0.03 0.82 0.12 0.00 0.18 0.00 0.00 52.55 53.70 2dbk s ASP 74 Cb 0.02 -2.54 0.74 0.00 1.07 0.00 0.00 42.92 42.21 2dbk s ASP 74 CO -0.12 -1.15 1.17 -0.81 1.18 0.00 0.00 175.17 175.44 2dbk n PRO 75 N 7.52 0.49 -0.93 8.23 -0.04 -1.26 -3.99 135.00 145.02 2dbk n PRO 75 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 2dbk n PRO 75 Cb 0.48 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.84 -3.22 0.54 3.00 -1.26 -4.45 117.38 112.94 2dbk n GLN 76 Ca 0.09 -0.87 -0.39 0.00 -0.01 0.00 0.00 57.00 55.83 2dbk n GLN 76 Cb 0.04 -1.84 -0.06 0.00 0.00 0.00 0.00 30.24 28.39 2dbk n GLN 76 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2dbk s ASN 77 N 1.95 6.85 0.01 1.08 3.84 -1.26 -4.95 114.94 122.47 2dbk s ASN 77 Ca 0.56 1.02 0.15 0.00 0.21 0.00 0.00 52.86 54.79 2dbk s ASN 77 Cb 0.27 -2.34 0.62 0.00 -0.55 0.00 0.00 41.25 39.25 2dbk s ASN 77 CO -0.00 0.02 1.46 -0.81 -2.79 0.00 0.00 177.10 174.98 2dbk n PRO 78 N 3.31 0.01 -0.11 0.43 -0.04 -1.26 -3.44 135.00 133.89 2dbk n PRO 78 Ca -0.06 0.26 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 2dbk n PRO 78 Cb 0.51 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 2dbk n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dbk n ASP 79 N -1.53 1.93 -4.58 3.54 9.92 -1.26 -4.74 116.55 119.83 2dbk n ASP 79 Ca 0.03 0.37 -0.17 0.00 -0.53 0.00 0.00 54.79 54.50 2dbk n ASP 79 Cb 0.17 -0.81 -0.11 0.00 -0.64 0.00 0.00 41.12 39.73 2dbk n ASP 79 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2dbk s GLU 80 N -2.60 1.35 0.09 -1.24 2.02 -1.22 -4.73 118.70 112.36 2dbk s GLU 80 Ca -0.32 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 2dbk s GLU 80 Cb 0.09 -5.01 -0.14 0.00 0.10 0.00 0.00 34.13 29.17 2dbk s GLU 80 CO 0.46 -5.30 1.65 -0.97 0.02 0.00 0.00 175.26 171.12 2dbk h ASN 81 N 11.39 -0.65 -3.60 -0.19 -0.73 -1.85 -3.38 115.58 116.57 2dbk h ASN 81 Ca 0.04 0.05 -0.50 0.00 1.87 0.00 0.00 56.30 57.76 2dbk h ASN 81 Cb 0.99 0.21 0.02 0.00 0.27 0.00 0.00 38.32 39.81 2dbk h ASN 81 CO 1.04 -0.38 0.10 -1.61 -0.37 0.00 0.00 177.43 176.21 2dbk s GLU 82 N -6.08 3.64 -1.46 6.67 2.02 -1.26 -4.13 118.70 118.10 2dbk s GLU 82 Ca -0.16 0.29 -0.11 0.00 0.02 0.00 0.00 54.97 55.01 2dbk s GLU 82 Cb 0.06 -2.40 0.06 0.00 0.10 0.00 0.00 34.13 31.95 2dbk s GLU 82 CO 0.64 -0.11 1.00 0.43 0.02 0.00 0.00 175.26 177.24 2dbk n SER 83 N -1.80 -4.74 0.00 -0.19 7.64 -1.26 -4.80 113.62 108.46 2dbk n SER 83 Ca 0.01 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2dbk n SER 83 Cb 0.55 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 2dbk n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbk n GLY 84 N -1.74 -0.58 0.16 0.23 0.00 -1.26 -4.94 105.19 97.06 2dbk n GLY 84 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2dbk n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbk h PRO 85 N 0.00 0.01 -6.22 1.61 0.13 -1.78 -3.43 132.00 122.32 2dbk h PRO 85 Ca 0.00 -0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2dbk h PRO 85 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2dbk h PRO 85 CO 0.00 0.49 0.94 -1.54 -0.23 0.00 0.00 178.00 177.66 2dbk s SER 86 N -6.89 6.83 -0.49 1.44 1.04 -1.26 -4.98 113.70 109.38 2dbk s SER 86 Ca -0.02 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2dbk s SER 86 Cb 0.14 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.85 2dbk s SER 86 CO 0.74 -0.89 0.26 -0.55 0.98 0.00 0.00 173.24 173.78 2dbk s SER 87 N 2.34 4.90 0.00 7.02 0.15 -1.26 -4.88 113.70 121.97 2dbk s SER 87 Ca 0.56 -2.57 0.22 0.00 0.70 0.00 0.00 55.95 54.86 2dbk s SER 87 Cb -0.20 -1.75 0.18 0.00 -1.71 0.00 0.00 66.02 62.54 2dbk s SER 87 CO 0.18 -0.37 1.21 0.61 1.20 0.00 0.00 173.24 176.06