#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 -0.47 -0.20 1.61 0.15 -1.26 -5.15 113.70 108.38 2dbk s SER 2 Ca 0.00 0.86 -0.03 0.00 0.70 0.00 0.00 55.95 57.48 2dbk s SER 2 Cb 0.00 0.85 -0.01 0.00 -1.71 0.00 0.00 66.02 65.15 2dbk s SER 2 CO 0.00 -0.19 -0.06 -0.94 1.20 0.00 0.00 173.24 173.24 2dbk s SER 3 N 0.05 4.26 -0.16 5.45 1.04 -1.26 -4.82 113.70 118.26 2dbk s SER 3 Ca 0.02 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 2dbk s SER 3 Cb -0.04 -1.71 0.01 0.00 0.10 0.00 0.00 66.02 64.37 2dbk s SER 3 CO -0.04 0.03 0.17 0.61 0.98 0.00 0.00 173.24 174.99 2dbk n GLY 4 N 4.45 -1.67 3.48 7.32 0.00 -1.26 -4.92 105.19 112.59 2dbk n GLY 4 Ca -0.18 0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 2dbk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbk s SER 5 N -1.37 6.88 -1.27 1.61 1.04 -1.26 -4.33 113.70 115.01 2dbk s SER 5 Ca 0.07 -2.57 -0.06 0.00 0.48 0.00 0.00 55.95 53.87 2dbk s SER 5 Cb -0.02 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.68 2dbk s SER 5 CO 0.31 -0.93 1.10 -1.20 0.98 0.00 0.00 173.24 173.50 2dbk n SER 6 N 6.42 -5.16 -3.85 7.02 7.64 -1.26 -4.98 113.62 119.45 2dbk n SER 6 Ca 0.34 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.38 2dbk n SER 6 Cb 0.45 -4.90 0.26 0.00 -1.01 0.00 0.00 64.21 59.01 2dbk n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbk s GLY 7 N -3.57 1.50 1.19 0.23 0.00 -1.26 -5.03 107.32 100.39 2dbk s GLY 7 Ca 0.42 -0.71 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 2dbk s GLY 7 CO 0.70 0.18 1.11 2.56 0.00 0.00 0.00 173.10 177.66 2dbk s PRO 8 N -5.06 -1.13 0.02 2.90 0.04 -1.26 -5.06 135.00 125.45 2dbk s PRO 8 Ca 0.69 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.71 2dbk s PRO 8 Cb -0.15 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2dbk s PRO 8 CO 0.58 -3.65 0.02 -0.51 0.04 0.00 0.00 177.00 173.48 2dbk s LEU 9 N -6.91 3.58 0.38 -3.56 1.43 -1.26 -5.00 118.68 107.34 2dbk s LEU 9 Ca 0.71 -0.01 0.28 0.00 -1.03 0.00 0.00 54.13 54.07 2dbk s LEU 9 Cb -0.10 -2.12 1.16 0.00 0.03 0.00 0.00 46.19 45.16 2dbk s LEU 9 CO 0.56 0.25 1.83 1.55 0.23 0.00 0.00 176.35 180.77 2dbk h PRO 10 N 4.08 0.00 -5.18 1.29 0.13 -2.07 -3.46 132.00 126.79 2dbk h PRO 10 Ca -0.49 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2dbk h PRO 10 Cb 1.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.38 2dbk h PRO 10 CO 0.59 0.00 -0.31 0.45 -0.23 0.00 0.00 178.00 178.50 2dbk n SER 11 N -2.58 -0.77 -4.82 1.44 2.88 -1.26 -4.89 113.62 103.61 2dbk n SER 11 Ca 0.01 0.98 -0.31 0.00 -1.33 0.00 0.00 58.87 58.23 2dbk n SER 11 Cb 0.25 -0.81 0.06 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.62 3.71 -0.12 2.46 -4.23 -1.26 -5.08 115.64 110.50 2dbk s THR 12 Ca 0.62 0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 61.59 2dbk s THR 12 Cb -0.89 -3.31 0.04 0.00 1.34 0.00 0.00 72.50 69.68 2dbk s THR 12 CO 0.49 -0.73 0.31 -1.58 -0.54 0.00 0.00 174.62 172.57 2dbk s GLN 13 N -5.09 0.34 0.71 3.99 2.00 -1.26 -5.16 119.66 115.19 2dbk s GLN 13 Ca 0.59 0.49 -0.11 0.00 -2.00 0.00 0.00 55.36 54.33 2dbk s GLN 13 Cb -0.14 0.11 0.02 0.00 0.80 0.00 0.00 33.01 33.79 2dbk s GLN 13 CO 0.55 -0.08 1.07 0.54 -0.50 0.00 0.00 175.29 176.87 2dbk s ASN 14 N 0.48 5.33 0.79 6.67 4.22 -1.26 -5.01 114.94 126.15 2dbk s ASN 14 Ca -0.03 1.40 -0.14 0.00 -2.14 0.00 0.00 52.86 51.96 2dbk s ASN 14 Cb -0.04 -2.26 0.07 0.00 1.28 0.00 0.00 41.25 40.30 2dbk s ASN 14 CO -0.03 -1.45 1.21 -0.83 -2.04 0.00 0.00 177.10 173.97 2dbk s GLY 15 N -4.01 2.23 0.75 0.45 0.00 -1.26 -4.98 107.32 100.50 2dbk s GLY 15 Ca 0.58 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 46.07 2dbk s GLY 15 CO 0.54 1.30 1.09 2.56 0.00 0.00 0.00 173.10 178.59 2dbk s PRO 16 N -4.07 2.34 -0.07 2.90 0.04 -1.26 -5.04 135.00 129.85 2dbk s PRO 16 Ca 0.74 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 2dbk s PRO 16 Cb -0.29 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2dbk s PRO 16 CO 0.49 -1.58 0.27 0.08 0.04 0.00 0.00 177.00 176.31 2dbk s VAL 17 N -2.81 5.28 -0.12 -0.36 1.01 -1.11 -4.99 120.40 117.30 2dbk s VAL 17 Ca 0.62 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 2dbk s VAL 17 Cb -0.18 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2dbk s VAL 17 CO 0.54 0.58 -0.11 -0.36 0.00 0.00 0.00 175.10 175.74 2dbk s PHE 18 N -0.88 2.84 -0.06 5.22 0.08 -1.26 -2.30 117.98 121.62 2dbk s PHE 18 Ca 0.19 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2dbk s PHE 18 Cb -0.14 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2dbk s PHE 18 CO 0.08 -0.10 0.03 0.00 -0.10 0.00 0.00 175.22 175.13 2dbk s ALA 19 N 0.13 0.52 0.14 5.36 0.00 -0.63 -4.18 121.76 123.10 2dbk s ALA 19 Ca -0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 2dbk s ALA 19 Cb -0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.19 2dbk s ALA 19 CO 0.04 -0.50 0.80 0.21 0.00 0.00 0.00 175.76 176.32 2dbk s LYS 20 N 2.05 4.59 -0.39 0.00 2.20 -1.22 -0.63 119.74 126.34 2dbk s LYS 20 Ca 0.05 1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 56.56 2dbk s LYS 20 Cb -0.12 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 2dbk s LYS 20 CO -0.04 0.47 1.23 0.00 -0.36 0.00 0.00 175.35 176.65 2dbk s ALA 21 N -0.81 3.24 -0.39 3.13 0.00 -0.35 -2.50 121.76 124.08 2dbk s ALA 21 Ca 0.38 -0.19 0.23 0.00 0.00 0.00 0.00 51.96 52.37 2dbk s ALA 21 Cb -0.23 -3.84 0.25 0.00 0.00 0.00 0.00 23.12 19.30 2dbk s ALA 21 CO 0.26 -2.04 1.45 -0.84 0.00 0.00 0.00 175.76 174.59 2dbk h ILE 22 N 6.13 0.00 -3.01 0.00 3.07 -1.90 0.17 117.51 121.97 2dbk h ILE 22 Ca -0.24 -0.98 -0.44 0.00 1.55 0.00 0.00 64.86 64.74 2dbk h ILE 22 Cb 1.08 1.83 -0.14 0.00 -0.27 0.00 0.00 36.82 39.32 2dbk h ILE 22 CO 1.08 0.00 -0.63 -1.10 -1.05 0.00 0.00 178.15 176.45 2dbk s GLN 23 N -3.25 1.54 -0.19 0.16 -1.52 -1.24 -4.83 119.66 110.33 2dbk s GLN 23 Ca 0.05 -1.83 -0.21 0.00 -1.95 0.00 0.00 55.36 51.43 2dbk s GLN 23 Cb 0.07 -0.79 -0.03 0.00 -0.22 0.00 0.00 33.01 32.03 2dbk s GLN 23 CO 0.70 -0.14 0.63 0.21 -0.25 0.00 0.00 175.29 176.44 2dbk s LYS 24 N -3.87 4.23 -0.25 2.91 2.20 -1.26 -4.03 119.74 119.65 2dbk s LYS 24 Ca 0.34 0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 56.42 2dbk s LYS 24 Cb 0.07 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2dbk s LYS 24 CO 0.13 -0.21 0.34 0.50 -0.36 0.00 0.00 175.35 175.75 2dbk s ARG 25 N 1.81 4.05 -0.46 4.03 6.06 -1.17 -5.01 118.95 128.27 2dbk s ARG 25 Ca 0.29 0.01 0.04 0.00 -2.50 0.00 0.00 55.73 53.57 2dbk s ARG 25 Cb -0.16 -3.62 0.12 0.00 0.06 0.00 0.00 34.95 31.35 2dbk s ARG 25 CO 0.11 -0.18 0.19 0.08 -2.50 0.00 0.00 175.30 173.00 2dbk s VAL 26 N 1.77 2.39 0.57 7.11 1.01 -1.26 -3.66 120.40 128.32 2dbk s VAL 26 Ca 0.14 -2.94 -0.19 0.00 0.00 0.00 0.00 61.98 59.00 2dbk s VAL 26 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2dbk s VAL 26 CO 0.09 -0.74 1.13 -2.16 0.00 0.00 0.00 175.10 173.41 2dbk s PRO 27 N 0.15 3.25 0.36 2.72 0.04 -1.26 -5.03 135.00 135.23 2dbk s PRO 27 Ca 0.15 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 2dbk s PRO 27 Cb -0.24 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 2dbk s PRO 27 CO -0.03 -0.92 0.77 0.00 0.04 0.00 0.00 177.00 176.86 2dbk h ALA 29 N 1.87 -0.10 -0.86 0.00 0.00 -2.01 -0.55 119.26 117.61 2dbk h ALA 29 Ca -0.48 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2dbk h ALA 29 Cb 1.18 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2dbk h ALA 29 CO 0.64 -0.68 0.54 1.88 0.00 0.00 0.00 179.25 181.63 2dbk h TYR 30 N -0.22 0.99 -2.96 0.00 0.05 -2.05 -3.39 116.97 109.39 2dbk h TYR 30 Ca 0.18 0.03 -0.57 0.00 0.05 0.00 0.00 58.73 58.42 2dbk h TYR 30 Cb 0.51 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 2dbk h TYR 30 CO -0.51 0.52 1.04 -0.51 -1.05 0.00 0.00 178.16 177.64 2dbk s ASP 31 N -5.79 6.56 -0.12 3.88 1.11 -0.21 -4.85 116.67 117.24 2dbk s ASP 31 Ca -0.13 1.42 0.13 0.00 0.18 0.00 0.00 52.55 54.16 2dbk s ASP 31 Cb 0.18 -2.54 -0.18 0.00 1.07 0.00 0.00 42.92 41.45 2dbk s ASP 31 CO 0.79 -1.14 0.09 0.29 1.18 0.00 0.00 175.17 176.38 2dbk n LYS 32 N 7.43 1.50 0.25 8.23 4.76 -1.26 -4.37 118.16 134.70 2dbk n LYS 32 Ca 0.16 -0.03 0.13 0.00 -2.87 0.00 0.00 58.31 55.71 2dbk n LYS 32 Cb 0.46 -1.36 0.52 0.00 -1.84 0.00 0.00 35.03 32.80 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2dbk h THR 33 N 0.00 0.24 -3.23 -0.18 1.35 -1.92 -3.42 112.91 105.75 2dbk h THR 33 Ca -0.33 -0.86 -0.57 0.00 -0.55 0.00 0.00 66.41 64.11 2dbk h THR 33 Cb 1.70 1.70 -0.05 0.00 -1.73 0.00 0.00 68.15 69.76 2dbk h THR 33 CO 0.02 0.10 1.09 0.00 -0.25 0.00 0.00 175.52 176.47 2dbk s ALA 34 N -3.59 3.04 0.23 6.62 0.00 -1.26 0.61 121.76 127.41 2dbk s ALA 34 Ca 0.02 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2dbk s ALA 34 Cb 0.09 -3.95 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 2dbk s ALA 34 CO 0.60 -2.41 1.06 -1.17 0.00 0.00 0.00 175.76 173.84 2dbk s LEU 35 N 5.53 4.55 -0.06 0.00 0.20 -1.08 -4.76 118.68 123.06 2dbk s LEU 35 Ca 0.63 2.13 -0.12 0.00 0.69 0.00 0.00 54.13 57.45 2dbk s LEU 35 Cb -0.14 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 41.95 2dbk s LEU 35 CO 0.33 -0.10 0.30 0.00 -0.29 0.00 0.00 176.35 176.59 2dbk s ALA 36 N -0.84 3.74 0.18 5.97 0.00 -1.26 -4.80 121.76 124.76 2dbk s ALA 36 Ca 0.45 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2dbk s ALA 36 Cb -0.30 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 2dbk s ALA 36 CO 0.37 0.47 0.04 -0.51 0.00 0.00 0.00 175.76 176.13 2dbk s LEU 37 N -0.83 1.87 -0.09 0.00 1.43 -1.24 -4.88 118.68 114.94 2dbk s LEU 37 Ca 0.20 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 2dbk s LEU 37 Cb -0.15 0.08 -0.00 0.00 0.03 0.00 0.00 46.19 46.15 2dbk s LEU 37 CO 0.09 -0.66 -0.24 -0.70 0.23 0.00 0.00 176.35 175.07 2dbk s GLU 38 N -3.99 2.85 -0.42 1.70 2.12 -1.26 -3.06 118.70 116.65 2dbk s GLU 38 Ca 0.28 -0.87 -0.38 0.00 0.36 0.00 0.00 54.97 54.36 2dbk s GLU 38 Cb 0.07 -2.22 -0.16 0.00 0.26 0.00 0.00 34.13 32.07 2dbk s GLU 38 CO 0.06 0.23 1.64 0.28 -0.54 0.00 0.00 175.26 176.93 2dbk n VAL 39 N 3.37 0.00 -0.69 3.70 0.31 -1.26 -2.00 118.33 121.77 2dbk n VAL 39 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2dbk n VAL 39 Cb 0.53 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 5.33 0.67 3.22 2.92 0.00 0.58 -5.03 105.19 112.88 2dbk n GLY 40 Ca 0.40 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.88 2.43 -0.39 1.61 -1.08 -0.85 -4.90 116.67 111.60 2dbk s ASP 41 Ca 0.00 -0.38 -0.26 0.00 -0.52 0.00 0.00 52.55 51.39 2dbk s ASP 41 Cb 0.00 -0.27 0.02 0.00 -1.46 0.00 0.00 42.92 41.21 2dbk s ASP 41 CO 0.00 0.25 0.96 -0.63 0.52 0.00 0.00 175.17 176.27 2dbk s ILE 42 N -0.49 4.52 -0.26 4.11 -1.09 -1.26 -1.21 121.20 125.52 2dbk s ILE 42 Ca 0.08 1.15 -0.17 0.00 -2.23 0.00 0.00 60.65 59.48 2dbk s ILE 42 Cb -0.08 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.39 2dbk s ILE 42 CO -0.01 -0.63 0.45 -0.69 -1.23 0.00 0.00 174.94 172.83 2dbk s VAL 43 N 3.63 5.12 -0.42 2.92 1.01 0.20 -4.87 120.40 127.99 2dbk s VAL 43 Ca 0.39 0.76 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 2dbk s VAL 43 Cb -0.11 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2dbk s VAL 43 CO 0.21 0.13 0.30 -0.75 0.00 0.00 0.00 175.10 174.99 2dbk s LYS 44 N 2.11 2.89 -0.15 2.72 2.20 -1.26 -1.61 119.74 126.64 2dbk s LYS 44 Ca 0.19 -1.19 -0.04 0.00 -0.36 0.00 0.00 55.97 54.56 2dbk s LYS 44 Cb -0.16 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2dbk s LYS 44 CO 0.09 -0.85 -0.01 0.54 -0.36 0.00 0.00 175.35 174.77 2dbk s VAL 45 N 1.61 4.17 -0.06 4.02 0.11 -0.97 -2.07 120.40 127.21 2dbk s VAL 45 Ca 0.04 -0.26 0.17 0.00 -2.93 0.00 0.00 61.98 58.99 2dbk s VAL 45 Cb -0.21 -2.83 -0.25 0.00 -1.53 0.00 0.00 36.38 31.56 2dbk s VAL 45 CO 0.07 0.50 0.30 0.35 -3.33 0.00 0.00 175.10 172.99 2dbk n THR 46 N 3.30 0.29 -4.42 5.04 -2.24 -1.18 -2.75 114.28 112.32 2dbk n THR 46 Ca -0.17 -0.47 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 2dbk n THR 46 Cb 0.53 -0.07 -0.17 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.99 1.47 -0.35 -0.78 0.52 -1.25 -4.99 118.95 110.59 2dbk s ARG 47 Ca -0.07 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 2dbk s ARG 47 Cb 0.09 -1.29 0.08 0.00 0.52 0.00 0.00 34.95 34.36 2dbk s ARG 47 CO 0.70 -0.03 0.09 -1.64 0.02 0.00 0.00 175.30 174.44 2dbk s MET 48 N 0.83 2.08 -0.08 3.54 -1.94 -1.26 -1.92 119.30 120.55 2dbk s MET 48 Ca -0.12 -1.60 -0.30 0.00 -1.71 0.00 0.00 55.69 51.96 2dbk s MET 48 Cb -0.15 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.33 2dbk s MET 48 CO 0.02 -0.86 1.17 -0.80 -0.01 0.00 0.00 175.02 174.54 2dbk s ASN 49 N 1.41 7.07 0.24 3.03 0.01 -1.25 -4.93 114.94 120.53 2dbk s ASN 49 Ca 0.03 1.75 -0.09 0.00 -0.71 0.00 0.00 52.86 53.84 2dbk s ASN 49 Cb -0.21 -2.56 0.38 0.00 0.41 0.00 0.00 41.25 39.28 2dbk s ASN 49 CO -0.04 -0.58 1.62 0.40 -1.51 0.00 0.00 177.10 177.00 2dbk h ILE 50 N 5.07 0.31 -0.89 0.60 1.08 -1.98 0.16 117.51 121.86 2dbk h ILE 50 Ca -0.33 -0.02 0.23 0.00 -0.39 0.00 0.00 64.86 64.35 2dbk h ILE 50 Cb 1.15 0.25 -0.17 0.00 -3.07 0.00 0.00 36.82 34.98 2dbk h ILE 50 CO 0.89 0.01 -0.03 -0.46 -0.69 0.00 0.00 178.15 177.87 2dbk n ASN 51 N -5.41 -0.15 0.00 1.72 6.94 -1.26 -4.80 115.26 112.30 2dbk n ASN 51 Ca 0.12 1.51 0.00 0.00 -0.02 0.00 0.00 54.58 56.19 2dbk n ASN 51 Cb 0.44 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2dbk n ASN 51 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dbk n GLY 52 N -1.47 3.04 3.65 4.83 0.00 0.04 -5.11 105.19 110.18 2dbk n GLY 52 Ca 0.20 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 4.09 0.18 1.61 -0.21 -1.26 -4.58 119.66 119.48 2dbk s GLN 53 Ca 0.00 1.83 0.04 0.00 0.02 0.00 0.00 55.36 57.25 2dbk s GLN 53 Cb 0.00 -3.92 -0.04 0.00 1.00 0.00 0.00 33.01 30.06 2dbk s GLN 53 CO 0.00 -0.93 0.22 -1.58 -2.12 0.00 0.00 175.29 170.89 2dbk s TRP 54 N 4.16 3.31 -0.31 0.91 0.51 -1.25 -3.75 118.94 122.52 2dbk s TRP 54 Ca 0.66 0.02 -0.13 0.00 -2.12 0.00 0.00 56.10 54.53 2dbk s TRP 54 Cb -0.26 -1.57 -0.03 0.00 -0.81 0.00 0.00 33.47 30.80 2dbk s TRP 54 CO 0.24 0.51 0.27 -2.00 -0.51 0.00 0.00 176.95 175.46 2dbk s GLU 55 N -3.33 3.73 0.17 4.98 2.12 -0.81 -3.14 118.70 122.42 2dbk s GLU 55 Ca 0.33 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.30 2dbk s GLU 55 Cb -0.10 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 2dbk s GLU 55 CO 0.26 -0.36 -0.02 0.20 -0.54 0.00 0.00 175.26 174.80 2dbk s GLY 56 N 1.73 1.20 -0.09 -1.50 0.00 -1.21 -3.10 107.32 104.35 2dbk s GLY 56 Ca 0.09 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 2dbk s GLY 56 CO 0.11 -1.55 0.01 1.85 0.00 0.00 0.00 173.10 173.52 2dbk s GLU 57 N -3.87 0.55 0.09 2.90 2.12 -0.88 -2.93 118.70 116.68 2dbk s GLU 57 Ca 0.22 0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.64 2dbk s GLU 57 Cb 0.05 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 33.26 2dbk s GLU 57 CO 0.03 -0.37 -0.13 0.08 -0.54 0.00 0.00 175.26 174.33 2dbk s VAL 58 N 1.97 1.10 -0.56 3.70 1.01 -1.18 -4.20 120.40 122.24 2dbk s VAL 58 Ca 0.04 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.47 2dbk s VAL 58 Cb -0.13 -1.24 -0.18 0.00 0.00 0.00 0.00 36.38 34.83 2dbk s VAL 58 CO -0.06 -0.36 1.25 -0.46 0.00 0.00 0.00 175.10 175.47 2dbk n ASN 59 N 0.92 -0.68 0.00 3.32 6.94 -1.26 -2.39 115.26 122.10 2dbk n ASN 59 Ca -0.19 -0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.13 2dbk n ASN 59 Cb 0.56 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dbk n GLY 60 N 3.16 -0.39 1.83 4.83 0.00 -1.26 -5.08 105.19 108.28 2dbk n GLY 60 Ca 0.38 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 2dbk n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dbk n ARG 61 N 0.00 0.49 -4.08 1.61 1.74 -1.01 -5.15 116.66 110.26 2dbk n ARG 61 Ca 0.00 -1.24 -0.32 0.00 -0.77 0.00 0.00 57.85 55.51 2dbk n ARG 61 Cb 0.00 1.39 -0.16 0.00 -1.02 0.00 0.00 32.46 32.68 2dbk n ARG 61 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dbk s LYS 62 N -2.19 2.53 0.27 5.56 1.02 -1.26 -3.11 119.74 122.56 2dbk s LYS 62 Ca 0.11 -1.08 -0.14 0.00 0.02 0.00 0.00 55.97 54.88 2dbk s LYS 62 Cb -0.02 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2dbk s LYS 62 CO 0.08 -0.40 0.55 0.20 -0.92 0.00 0.00 175.35 174.85 2dbk s GLY 63 N 1.21 0.46 0.27 -3.33 0.00 -1.15 -4.88 107.32 99.90 2dbk s GLY 63 Ca -0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.71 2dbk s GLY 63 CO -0.09 -0.52 0.76 1.08 0.00 0.00 0.00 173.10 174.33 2dbk s LEU 64 N -3.02 4.25 0.01 0.66 1.43 0.20 -3.30 118.68 118.91 2dbk s LEU 64 Ca 0.20 1.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 2dbk s LEU 64 Cb -0.02 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 2dbk s LEU 64 CO 0.09 -0.06 -0.04 0.72 0.23 0.00 0.00 176.35 177.30 2dbk s PHE 65 N -1.69 0.31 0.45 0.29 -0.71 -1.19 -2.63 117.98 112.82 2dbk s PHE 65 Ca 0.48 -0.19 -0.23 0.00 -1.04 0.00 0.00 56.93 55.95 2dbk s PHE 65 Cb -0.15 -0.20 -0.07 0.00 -1.21 0.00 0.00 43.02 41.39 2dbk s PHE 65 CO 0.20 -0.04 1.17 -1.25 -1.34 0.00 0.00 175.22 173.95 2dbk s PRO 66 N -0.51 3.79 0.00 1.99 0.04 -1.26 -3.80 135.00 135.25 2dbk s PRO 66 Ca -0.03 1.79 0.25 0.00 0.04 0.00 0.00 61.00 63.05 2dbk s PRO 66 Cb -0.04 -2.44 1.10 0.00 0.04 0.00 0.00 34.50 33.16 2dbk s PRO 66 CO -0.00 -0.53 1.82 1.97 0.04 0.00 0.00 177.00 180.30 2dbk n PHE 67 N -0.42 0.00 1.19 0.56 1.16 -1.26 -2.86 117.46 115.82 2dbk n PHE 67 Ca 0.07 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.71 2dbk n PHE 67 Cb 0.48 -0.49 0.19 0.00 -1.61 0.00 0.00 39.48 38.04 2dbk n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2dbk n THR 68 N -1.49 0.32 -0.03 1.97 -2.24 -1.26 -3.79 114.28 107.76 2dbk n THR 68 Ca 0.06 -0.35 -0.04 0.00 -2.27 0.00 0.00 64.05 61.46 2dbk n THR 68 Cb 0.29 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 2dbk n THR 68 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2dbk n HIS 69 N 0.25 0.00 -4.13 4.78 -0.00 -1.13 -5.04 115.22 109.95 2dbk n HIS 69 Ca 0.11 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.99 2dbk n HIS 69 Cb 0.24 -0.29 -0.08 0.00 -0.12 0.00 0.00 29.99 29.74 2dbk n HIS 69 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2dbk s VAL 70 N -2.15 4.03 -0.15 3.57 -7.23 -1.25 -3.10 120.40 114.13 2dbk s VAL 70 Ca -0.07 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2dbk s VAL 70 Cb 0.02 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 2dbk s VAL 70 CO 0.21 0.07 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.22 2dbk s LYS 71 N -2.47 3.47 -0.70 4.82 2.20 -1.04 -4.86 119.74 121.15 2dbk s LYS 71 Ca 0.27 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.99 2dbk s LYS 71 Cb -0.11 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2dbk s LYS 71 CO 0.19 0.17 1.73 0.42 -0.36 0.00 0.00 175.35 177.50 2dbk s ILE 72 N 0.49 3.48 0.19 5.43 -1.09 -1.26 -3.43 121.20 125.00 2dbk s ILE 72 Ca -0.07 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.53 2dbk s ILE 72 Cb -0.15 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 2dbk s ILE 72 CO 0.04 -1.17 0.14 0.72 -1.23 0.00 0.00 174.94 173.43 2dbk s PHE 73 N 8.29 3.10 -0.15 3.97 -0.71 -1.26 -5.07 117.98 126.15 2dbk s PHE 73 Ca 0.60 -0.06 -0.26 0.00 -1.04 0.00 0.00 56.93 56.16 2dbk s PHE 73 Cb -0.10 -1.46 -0.01 0.00 -1.21 0.00 0.00 43.02 40.23 2dbk s PHE 73 CO 0.15 0.52 0.88 -0.51 -1.34 0.00 0.00 175.22 174.92 2dbk s ASP 74 N -3.31 7.05 0.09 1.98 1.11 -1.26 -4.86 116.67 117.47 2dbk s ASP 74 Ca 0.31 1.29 0.17 0.00 0.18 0.00 0.00 52.55 54.50 2dbk s ASP 74 Cb -0.09 -2.48 0.74 0.00 1.07 0.00 0.00 42.92 42.15 2dbk s ASP 74 CO 0.23 -0.40 1.54 -0.81 1.18 0.00 0.00 175.17 176.91 2dbk n PRO 75 N 5.11 0.07 -0.75 8.23 -0.04 -1.26 -3.74 135.00 142.61 2dbk n PRO 75 Ca 0.06 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.76 2dbk n PRO 75 Cb 0.49 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.76 1.49 -3.86 0.54 1.13 -1.26 -4.66 117.38 109.01 2dbk n GLN 76 Ca 0.03 -0.57 -0.31 0.00 -1.94 0.00 0.00 57.00 54.20 2dbk n GLN 76 Cb 0.19 -1.62 -0.12 0.00 0.11 0.00 0.00 30.24 28.80 2dbk n GLN 76 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2dbk s ASN 77 N 2.05 4.82 0.00 1.08 4.22 -1.25 -4.92 114.94 120.95 2dbk s ASN 77 Ca 0.39 -3.30 0.11 0.00 -2.14 0.00 0.00 52.86 47.92 2dbk s ASN 77 Cb 0.18 -1.71 0.69 0.00 1.28 0.00 0.00 41.25 41.69 2dbk s ASN 77 CO 0.00 -0.21 1.12 -0.81 -2.04 0.00 0.00 177.10 175.16 2dbk n PRO 78 N 2.77 0.49 -1.49 3.55 -0.04 -1.26 -4.84 135.00 134.17 2dbk n PRO 78 Ca 0.11 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.21 2dbk n PRO 78 Cb 0.34 -1.37 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.87 0.48 -4.16 3.54 8.00 -1.26 -4.96 116.55 117.31 2dbk n ASP 79 Ca 0.09 0.73 -0.39 0.00 0.71 0.00 0.00 54.79 55.93 2dbk n ASP 79 Cb 0.04 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.12 39.66 2dbk n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dbk s GLU 80 N -2.99 2.40 -0.25 -1.24 2.02 -1.26 -5.03 118.70 112.35 2dbk s GLU 80 Ca 0.75 -1.99 -0.13 0.00 0.02 0.00 0.00 54.97 53.62 2dbk s GLU 80 Cb -0.38 -3.80 0.08 0.00 0.10 0.00 0.00 34.13 30.13 2dbk s GLU 80 CO 0.49 -1.16 0.61 1.21 0.02 0.00 0.00 175.26 176.43 2dbk s ASN 81 N 1.94 -0.84 -0.30 -0.19 3.84 -1.26 -5.15 114.94 112.98 2dbk s ASN 81 Ca 0.10 1.36 -0.07 0.00 0.21 0.00 0.00 52.86 54.46 2dbk s ASN 81 Cb -0.23 1.37 0.16 0.00 -0.55 0.00 0.00 41.25 42.00 2dbk s ASN 81 CO -0.03 -0.23 0.67 -0.70 -2.79 0.00 0.00 177.10 174.03 2dbk s GLU 82 N 1.81 0.54 0.23 0.43 2.12 -1.26 -5.17 118.70 117.40 2dbk s GLU 82 Ca -0.09 1.17 -0.22 0.00 0.36 0.00 0.00 54.97 56.19 2dbk s GLU 82 Cb -0.07 0.69 0.04 0.00 0.26 0.00 0.00 34.13 35.05 2dbk s GLU 82 CO -0.18 -0.36 0.84 0.45 -0.54 0.00 0.00 175.26 175.47 2dbk s SER 83 N 2.85 -0.19 0.00 -1.70 0.15 -1.26 -5.13 113.70 108.43 2dbk s SER 83 Ca 0.05 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2dbk s SER 83 Cb -0.13 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2dbk s SER 83 CO -0.19 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.68 2dbk n GLY 84 N -0.49 -0.25 3.77 9.45 0.00 -1.26 -5.02 105.19 111.40 2dbk n GLY 84 Ca -0.05 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.40 3.25 -1.32 1.61 0.04 -1.26 -3.50 135.00 133.42 2dbk s PRO 85 Ca 0.00 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 2dbk s PRO 85 Cb 0.00 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2dbk s PRO 85 CO 0.00 -0.92 0.18 0.43 0.04 0.00 0.00 177.00 176.72 2dbk n SER 86 N -1.53 -0.07 -4.60 6.66 7.64 -1.26 -4.72 113.62 115.74 2dbk n SER 86 Ca 0.11 -1.00 -0.49 0.00 1.01 0.00 0.00 58.87 58.50 2dbk n SER 86 Cb 0.51 -1.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.41 2dbk n SER 86 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dbk n SER 87 N -2.05 1.78 0.00 6.43 3.41 -1.23 -5.19 113.62 116.77 2dbk n SER 87 Ca -0.13 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 2dbk n SER 87 Cb 0.48 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 2dbk n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49