#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk n SER 2 N 0.00 -1.11 -4.18 1.61 2.88 -1.26 -4.88 113.62 106.68 2dbk n SER 2 Ca 0.00 -1.08 -0.32 0.00 -1.33 0.00 0.00 58.87 56.15 2dbk n SER 2 Cb 0.00 -1.37 -0.17 0.00 -0.75 0.00 0.00 64.21 61.92 2dbk n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbk s SER 3 N -3.17 2.98 0.00 -3.46 0.15 -1.26 -5.09 113.70 103.84 2dbk s SER 3 Ca 0.58 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2dbk s SER 3 Cb -0.34 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2dbk s SER 3 CO 0.88 0.11 0.00 0.61 1.20 0.00 0.00 173.24 176.04 2dbk n GLY 4 N 3.82 -2.05 3.85 9.45 0.00 -1.26 -4.83 105.19 114.16 2dbk n GLY 4 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2dbk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbk s SER 5 N -1.94 6.78 0.12 1.61 0.01 -1.26 -4.99 113.70 114.04 2dbk s SER 5 Ca 0.00 0.97 -0.23 0.00 1.31 0.00 0.00 55.95 58.00 2dbk s SER 5 Cb 0.00 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2dbk s SER 5 CO 0.00 0.20 1.18 -1.20 0.41 0.00 0.00 173.24 173.83 2dbk n SER 6 N 1.19 -0.80 0.00 2.44 7.64 -1.26 -4.81 113.62 118.02 2dbk n SER 6 Ca -0.09 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2dbk n SER 6 Cb 0.52 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2dbk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbk n GLY 7 N -1.19 3.89 3.64 0.23 0.00 -1.26 -5.15 105.19 105.35 2dbk n GLY 7 Ca 0.02 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 1.12 -0.25 -0.02 1.61 0.04 -1.26 -5.09 135.00 131.15 2dbk s PRO 8 Ca 0.00 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.20 2dbk s PRO 8 Cb 0.00 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.88 2dbk s PRO 8 CO 0.00 -3.14 0.27 -0.48 0.04 0.00 0.00 177.00 173.70 2dbk s LEU 9 N -6.66 1.00 0.04 -3.56 2.34 -1.26 -5.14 118.68 105.44 2dbk s LEU 9 Ca 0.67 0.09 -0.31 0.00 0.06 0.00 0.00 54.13 54.65 2dbk s LEU 9 Cb -0.16 1.11 -0.06 0.00 -0.56 0.00 0.00 46.19 46.52 2dbk s LEU 9 CO 0.57 -0.39 1.42 -2.16 -1.06 0.00 0.00 176.35 174.73 2dbk s PRO 10 N -1.16 4.29 0.51 1.48 0.04 -1.26 -5.03 135.00 133.87 2dbk s PRO 10 Ca -0.12 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.02 2dbk s PRO 10 Cb -0.05 -3.48 0.03 0.00 0.04 0.00 0.00 34.50 31.05 2dbk s PRO 10 CO 0.03 -0.54 0.51 -1.54 0.04 0.00 0.00 177.00 175.50 2dbk s SER 11 N 1.69 4.91 -0.01 6.66 1.04 -1.26 -5.14 113.70 121.59 2dbk s SER 11 Ca 0.65 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 56.14 2dbk s SER 11 Cb -0.34 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 2dbk s SER 11 CO 0.28 -1.03 -0.09 -0.89 0.98 0.00 0.00 173.24 172.48 2dbk s THR 12 N -2.65 0.74 -0.18 2.02 2.01 -1.26 -5.03 115.64 111.29 2dbk s THR 12 Ca 0.46 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 2dbk s THR 12 Cb -0.04 -0.62 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2dbk s THR 12 CO 0.28 0.21 2.52 0.00 -0.69 0.00 0.00 174.62 176.94 2dbk n GLN 13 N 2.90 1.72 -3.74 4.92 6.02 -1.26 -4.62 117.38 123.33 2dbk n GLN 13 Ca -0.14 -1.12 -0.28 0.00 -0.01 0.00 0.00 57.00 55.45 2dbk n GLN 13 Cb 0.56 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.09 2dbk n GLN 13 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2dbk s ASN 14 N 1.16 3.73 0.00 1.08 3.84 -1.26 -5.07 114.94 118.42 2dbk s ASN 14 Ca 0.35 -3.57 0.00 0.00 0.21 0.00 0.00 52.86 49.85 2dbk s ASN 14 Cb 0.21 -1.24 0.00 0.00 -0.55 0.00 0.00 41.25 39.67 2dbk s ASN 14 CO -0.04 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.76 2dbk n GLY 15 N 2.29 3.12 3.72 1.21 0.00 -1.26 -5.17 105.19 109.09 2dbk n GLY 15 Ca 0.22 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 1.04 1.22 -0.05 1.61 0.04 -1.26 -5.02 135.00 132.58 2dbk s PRO 16 Ca 0.00 0.80 -0.19 0.00 0.04 0.00 0.00 61.00 61.65 2dbk s PRO 16 Cb 0.00 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 2dbk s PRO 16 CO 0.00 -2.26 0.53 0.08 0.04 0.00 0.00 177.00 175.39 2dbk s VAL 17 N -2.94 5.04 -0.17 -0.36 1.01 -1.11 -4.98 120.40 116.89 2dbk s VAL 17 Ca 0.63 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 2dbk s VAL 17 Cb -0.18 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2dbk s VAL 17 CO 0.57 0.39 -0.08 -0.36 0.00 0.00 0.00 175.10 175.62 2dbk s PHE 18 N 0.09 2.91 -0.05 5.22 0.08 -1.26 -2.06 117.98 122.92 2dbk s PHE 18 Ca 0.29 -0.66 0.04 0.00 0.12 0.00 0.00 56.93 56.71 2dbk s PHE 18 Cb -0.17 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.32 2dbk s PHE 18 CO 0.14 -0.29 -0.17 0.00 -0.10 0.00 0.00 175.22 174.81 2dbk s ALA 19 N 0.74 1.51 -0.02 5.36 0.00 -1.11 -4.32 121.76 123.93 2dbk s ALA 19 Ca -0.03 -0.65 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 2dbk s ALA 19 Cb -0.15 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.38 2dbk s ALA 19 CO 0.02 0.24 0.40 0.21 0.00 0.00 0.00 175.76 176.63 2dbk s LYS 20 N 0.19 3.93 -0.22 0.00 2.20 -1.22 -0.93 119.74 123.70 2dbk s LYS 20 Ca -0.07 0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.63 2dbk s LYS 20 Cb -0.13 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 2dbk s LYS 20 CO 0.03 0.65 1.24 0.00 -0.36 0.00 0.00 175.35 176.91 2dbk s ALA 21 N -0.94 3.57 -0.16 3.13 0.00 -0.82 -1.95 121.76 124.60 2dbk s ALA 21 Ca 0.23 0.30 0.19 0.00 0.00 0.00 0.00 51.96 52.69 2dbk s ALA 21 Cb -0.16 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 2dbk s ALA 21 CO 0.13 -1.34 0.86 0.44 0.00 0.00 0.00 175.76 175.84 2dbk n ILE 22 N 5.63 0.94 -4.67 0.00 -5.35 -1.15 -1.11 119.36 113.65 2dbk n ILE 22 Ca 0.14 -0.64 -0.31 0.00 -0.27 0.00 0.00 62.75 61.67 2dbk n ILE 22 Cb 0.46 -0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 37.74 2dbk n ILE 22 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dbk n GLN 23 N -2.78 0.82 -3.70 6.28 6.02 -1.25 -4.85 117.38 117.91 2dbk n GLN 23 Ca -0.07 -3.53 -0.39 0.00 -0.01 0.00 0.00 57.00 53.01 2dbk n GLN 23 Cb 0.73 0.91 -0.12 0.00 1.02 0.00 0.00 30.24 32.78 2dbk n GLN 23 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2dbk s LYS 24 N -3.78 2.66 0.04 -1.09 2.20 -1.26 -3.55 119.74 114.96 2dbk s LYS 24 Ca 0.02 -1.18 -0.26 0.00 -0.36 0.00 0.00 55.97 54.19 2dbk s LYS 24 Cb -0.00 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2dbk s LYS 24 CO 0.01 -0.70 0.80 1.03 -0.36 0.00 0.00 175.35 176.13 2dbk s ARG 25 N 1.44 4.52 -0.40 4.03 1.81 -0.81 -5.01 118.95 124.54 2dbk s ARG 25 Ca -0.00 1.13 0.02 0.00 -1.72 0.00 0.00 55.73 55.15 2dbk s ARG 25 Cb -0.20 -3.38 0.12 0.00 -0.45 0.00 0.00 34.95 31.05 2dbk s ARG 25 CO 0.04 0.22 0.19 0.08 -0.68 0.00 0.00 175.30 175.15 2dbk s VAL 26 N 0.13 1.37 0.51 3.52 1.01 -1.26 -3.84 120.40 121.85 2dbk s VAL 26 Ca 0.41 -2.28 -0.21 0.00 0.00 0.00 0.00 61.98 59.90 2dbk s VAL 26 Cb -0.21 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2dbk s VAL 26 CO 0.24 -0.82 1.14 -2.16 0.00 0.00 0.00 175.10 173.50 2dbk s PRO 27 N 0.68 3.51 0.62 2.72 0.04 -1.26 -5.03 135.00 136.27 2dbk s PRO 27 Ca 0.15 1.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 2dbk s PRO 27 Cb -0.22 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2dbk s PRO 27 CO -0.06 -0.73 1.00 0.00 0.04 0.00 0.00 177.00 177.24 2dbk h ALA 29 N -0.30 -0.17 -0.69 0.00 0.00 -2.02 -3.22 119.26 112.86 2dbk h ALA 29 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2dbk h ALA 29 Cb 1.21 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2dbk h ALA 29 CO 0.62 -0.41 0.44 0.10 0.00 0.00 0.00 179.25 180.01 2dbk h TYR 30 N -0.54 0.88 -2.50 0.00 -0.00 -2.05 -3.36 116.97 109.40 2dbk h TYR 30 Ca -0.02 0.01 -0.64 0.00 -0.00 0.00 0.00 58.73 58.09 2dbk h TYR 30 Cb 0.43 -0.29 -0.15 0.00 -0.00 0.00 0.00 36.73 36.72 2dbk h TYR 30 CO 0.04 0.57 0.68 -0.51 -0.00 0.00 0.00 178.16 178.94 2dbk s ASP 31 N -5.86 6.30 -0.51 0.10 1.01 -1.22 -4.88 116.67 111.61 2dbk s ASP 31 Ca -0.13 -1.25 -0.01 0.00 0.71 0.00 0.00 52.55 51.87 2dbk s ASP 31 Cb 0.14 -2.43 0.39 0.00 1.01 0.00 0.00 42.92 42.03 2dbk s ASP 31 CO 0.77 -1.37 1.99 0.29 0.21 0.00 0.00 175.17 177.06 2dbk n LYS 32 N 7.55 2.31 -0.02 8.23 4.76 -1.26 -3.96 118.16 135.76 2dbk n LYS 32 Ca 0.05 -2.61 -0.03 0.00 -2.87 0.00 0.00 58.31 52.85 2dbk n LYS 32 Cb 0.47 -2.02 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 2dbk n LYS 32 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2dbk n THR 33 N -0.50 0.28 -1.99 -0.18 -2.24 -1.26 -4.99 114.28 103.40 2dbk n THR 33 Ca 0.50 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.72 2dbk n THR 33 Cb 0.75 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 2dbk n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dbk s ALA 34 N -2.10 3.48 0.17 6.98 0.00 -1.26 -0.39 121.76 128.65 2dbk s ALA 34 Ca -0.05 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2dbk s ALA 34 Cb 0.02 -3.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.26 2dbk s ALA 34 CO 0.14 -1.62 1.32 -1.17 0.00 0.00 0.00 175.76 174.43 2dbk s LEU 35 N 4.57 4.40 -0.11 0.00 0.20 -0.61 -4.62 118.68 122.52 2dbk s LEU 35 Ca 0.75 2.36 -0.13 0.00 0.69 0.00 0.00 54.13 57.81 2dbk s LEU 35 Cb -0.32 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.79 2dbk s LEU 35 CO 0.31 -0.55 0.29 0.00 -0.29 0.00 0.00 176.35 176.11 2dbk s ALA 36 N 0.38 3.68 -0.04 5.97 0.00 -1.26 -4.78 121.76 125.71 2dbk s ALA 36 Ca 0.58 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 2dbk s ALA 36 Cb -0.36 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.47 2dbk s ALA 36 CO 0.36 0.31 0.14 -0.51 0.00 0.00 0.00 175.76 176.06 2dbk s LEU 37 N -0.28 1.50 -0.12 0.00 1.43 -1.25 -4.98 118.68 114.97 2dbk s LEU 37 Ca 0.18 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 2dbk s LEU 37 Cb -0.14 0.50 -0.05 0.00 0.03 0.00 0.00 46.19 46.54 2dbk s LEU 37 CO 0.06 -0.10 0.22 -0.70 0.23 0.00 0.00 176.35 176.06 2dbk s GLU 38 N -0.19 3.79 -0.51 1.70 2.56 -1.26 -1.92 118.70 122.87 2dbk s GLU 38 Ca -0.03 -0.00 -0.34 0.00 0.00 0.00 0.00 54.97 54.60 2dbk s GLU 38 Cb -0.02 -3.27 -0.16 0.00 2.00 0.00 0.00 34.13 32.67 2dbk s GLU 38 CO 0.00 0.60 1.89 0.28 -0.56 0.00 0.00 175.26 177.47 2dbk n VAL 39 N 2.46 0.00 0.00 3.70 0.31 -1.23 -1.37 118.33 122.20 2dbk n VAL 39 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2dbk n VAL 39 Cb 0.53 -0.42 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 6.08 1.12 3.19 2.92 0.00 -0.27 -5.04 105.19 113.19 2dbk n GLY 40 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 3.16 0.16 1.61 1.01 -0.47 -4.89 116.67 115.25 2dbk s ASP 41 Ca 0.00 -0.58 -0.30 0.00 0.71 0.00 0.00 52.55 52.37 2dbk s ASP 41 Cb 0.00 -1.45 -0.08 0.00 1.01 0.00 0.00 42.92 42.40 2dbk s ASP 41 CO 0.00 0.09 1.21 -0.63 0.21 0.00 0.00 175.17 176.05 2dbk s ILE 42 N 0.75 3.64 -0.29 0.77 -1.09 -1.26 -1.94 121.20 121.77 2dbk s ILE 42 Ca -0.09 1.33 0.03 0.00 -2.23 0.00 0.00 60.65 59.69 2dbk s ILE 42 Cb -0.16 -3.85 0.08 0.00 -1.58 0.00 0.00 42.46 36.95 2dbk s ILE 42 CO -0.00 0.19 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.18 2dbk s VAL 43 N 0.20 2.08 -0.49 2.92 1.01 -0.11 -4.84 120.40 121.17 2dbk s VAL 43 Ca 0.54 -1.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 2dbk s VAL 43 Cb -0.32 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2dbk s VAL 43 CO 0.35 -0.32 1.12 -0.75 0.00 0.00 0.00 175.10 175.50 2dbk s LYS 44 N 1.07 3.68 -0.20 2.72 2.20 -1.25 -2.74 119.74 125.22 2dbk s LYS 44 Ca 0.01 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 56.05 2dbk s LYS 44 Cb -0.19 -3.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.18 2dbk s LYS 44 CO -0.07 -1.39 -0.00 0.54 -0.36 0.00 0.00 175.35 174.06 2dbk s VAL 45 N 4.42 3.94 0.00 4.02 0.11 -0.87 -1.98 120.40 130.03 2dbk s VAL 45 Ca 0.46 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2dbk s VAL 45 Cb -0.07 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 2dbk s VAL 45 CO 0.31 0.43 0.22 1.07 -3.33 0.00 0.00 175.10 173.80 2dbk n THR 46 N 4.18 0.00 -3.39 5.04 5.66 -1.20 -2.77 114.28 121.81 2dbk n THR 46 Ca -0.17 -0.28 -0.26 0.00 -3.05 0.00 0.00 64.05 60.29 2dbk n THR 46 Cb 0.52 1.35 -0.09 0.00 -1.55 0.00 0.00 70.33 70.56 2dbk n THR 46 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2dbk n ARG 47 N -0.12 1.30 -2.61 1.09 1.74 -1.21 -5.06 116.66 111.79 2dbk n ARG 47 Ca 0.00 -3.81 -0.42 0.00 -0.77 0.00 0.00 57.85 52.85 2dbk n ARG 47 Cb 0.09 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.75 2dbk n ARG 47 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2dbk s MET 48 N -1.37 4.46 0.39 5.56 -1.94 -1.26 -1.35 119.30 123.79 2dbk s MET 48 Ca 0.35 1.52 -0.01 0.00 -1.71 0.00 0.00 55.69 55.84 2dbk s MET 48 Cb 0.11 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.44 2dbk s MET 48 CO -0.11 -0.23 0.63 -0.80 -0.01 0.00 0.00 175.02 174.50 2dbk s ASN 49 N 1.12 6.26 -0.01 3.03 0.01 -1.22 -4.95 114.94 119.19 2dbk s ASN 49 Ca 0.53 0.59 -0.22 0.00 -0.71 0.00 0.00 52.86 53.05 2dbk s ASN 49 Cb -0.23 -2.07 -0.21 0.00 0.41 0.00 0.00 41.25 39.16 2dbk s ASN 49 CO 0.25 -0.40 1.14 0.40 -1.51 0.00 0.00 177.10 176.98 2dbk h ILE 50 N 0.57 1.45 -0.80 0.60 1.08 -1.96 -3.32 117.51 115.12 2dbk h ILE 50 Ca -0.49 -1.81 0.09 0.00 -0.39 0.00 0.00 64.86 62.27 2dbk h ILE 50 Cb 1.22 2.45 -0.11 0.00 -3.07 0.00 0.00 36.82 37.31 2dbk h ILE 50 CO 0.61 0.52 -0.41 -0.46 -0.69 0.00 0.00 178.15 177.71 2dbk n ASN 51 N -4.42 -0.72 0.00 1.72 6.94 -1.26 -4.82 115.26 112.70 2dbk n ASN 51 Ca -0.09 1.42 0.00 0.00 -0.02 0.00 0.00 54.58 55.89 2dbk n ASN 51 Cb 0.52 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 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 -1.27 0.71 3.75 4.83 0.00 -1.25 -5.14 105.19 106.82 2dbk n GLY 52 Ca 0.04 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 4.79 0.37 1.61 0.00 -1.26 -4.66 119.66 120.51 2dbk s GLN 53 Ca 0.00 1.59 0.07 0.00 -0.00 0.00 0.00 55.36 57.02 2dbk s GLN 53 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 33.01 29.75 2dbk s GLN 53 CO 0.00 0.41 0.45 -1.58 0.00 0.00 0.00 175.29 174.57 2dbk s TRP 54 N -1.13 2.91 -0.27 9.60 0.51 -1.23 -3.37 118.94 125.96 2dbk s TRP 54 Ca 0.42 -0.34 -0.06 0.00 -2.12 0.00 0.00 56.10 54.00 2dbk s TRP 54 Cb -0.28 -2.10 -0.00 0.00 -0.81 0.00 0.00 33.47 30.28 2dbk s TRP 54 CO 0.35 -0.11 0.06 -2.00 -0.51 0.00 0.00 176.95 174.73 2dbk s GLU 55 N -4.18 3.24 0.09 4.98 2.12 -0.46 -3.59 118.70 120.90 2dbk s GLU 55 Ca 0.48 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 55.10 2dbk s GLU 55 Cb -0.08 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2dbk s GLU 55 CO 0.30 -0.35 -0.11 0.20 -0.54 0.00 0.00 175.26 174.76 2dbk s GLY 56 N 1.52 0.83 -0.22 -1.50 0.00 -1.25 -3.24 107.32 103.45 2dbk s GLY 56 Ca 0.04 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 2dbk s GLY 56 CO 0.02 -1.16 0.03 1.85 0.00 0.00 0.00 173.10 173.84 2dbk s GLU 57 N -2.37 3.64 -0.03 2.90 2.12 -0.84 -3.42 118.70 120.70 2dbk s GLU 57 Ca 0.02 -0.50 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 2dbk s GLU 57 Cb -0.06 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2dbk s GLU 57 CO 0.01 -0.07 0.14 0.08 -0.54 0.00 0.00 175.26 174.88 2dbk s VAL 58 N 1.25 0.04 -1.41 3.70 1.01 0.10 -3.90 120.40 121.19 2dbk s VAL 58 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2dbk s VAL 58 Cb -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2dbk s VAL 58 CO 0.02 -0.18 0.36 0.59 0.00 0.00 0.00 175.10 175.88 2dbk n ASN 59 N 2.29 -0.49 -3.22 3.32 3.02 -1.26 0.12 115.26 119.04 2dbk n ASN 59 Ca -0.17 -1.08 -0.22 0.00 -0.03 0.00 0.00 54.58 53.08 2dbk n ASN 59 Cb 0.57 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 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 -2.11 -0.49 3.15 7.41 0.00 -1.26 -4.94 105.19 106.95 2dbk n GLY 60 Ca -0.29 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.86 0.69 -0.07 1.61 3.52 0.12 -5.16 118.95 113.79 2dbk s ARG 61 Ca 0.34 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2dbk s ARG 61 Cb -0.18 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2dbk s ARG 61 CO 0.42 -0.19 -0.05 0.15 -0.81 0.00 0.00 175.30 174.83 2dbk s LYS 62 N -3.11 1.07 0.22 5.12 1.02 -1.26 0.02 119.74 122.81 2dbk s LYS 62 Ca -0.01 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 55.70 2dbk s LYS 62 Cb 0.02 -1.14 0.01 0.00 -0.52 0.00 0.00 37.83 36.20 2dbk s LYS 62 CO -0.07 -0.17 0.51 0.20 -0.92 0.00 0.00 175.35 174.90 2dbk s GLY 63 N 1.36 0.21 -0.12 -3.33 0.00 -1.22 -4.93 107.32 99.28 2dbk s GLY 63 Ca -0.03 -0.56 -0.24 0.00 0.00 0.00 0.00 44.72 43.89 2dbk s GLY 63 CO -0.03 -0.44 0.76 1.08 0.00 0.00 0.00 173.10 174.47 2dbk s LEU 64 N -2.95 4.24 0.02 0.66 1.43 0.48 -3.89 118.68 118.67 2dbk s LEU 64 Ca 0.15 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2dbk s LEU 64 Cb -0.01 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2dbk s LEU 64 CO 0.03 -0.26 -0.15 0.72 0.23 0.00 0.00 176.35 176.93 2dbk s PHE 65 N 1.50 1.30 0.36 0.29 -0.12 -1.24 -1.57 117.98 118.52 2dbk s PHE 65 Ca 0.37 -0.32 -0.27 0.00 -0.05 0.00 0.00 56.93 56.67 2dbk s PHE 65 Cb -0.17 -0.79 -0.09 0.00 -0.63 0.00 0.00 43.02 41.33 2dbk s PHE 65 CO 0.15 0.02 1.21 -1.25 -0.05 0.00 0.00 175.22 175.30 2dbk s PRO 66 N -0.88 4.22 0.30 1.99 0.04 -1.26 -3.56 135.00 135.85 2dbk s PRO 66 Ca 0.03 1.96 0.25 0.00 0.04 0.00 0.00 61.00 63.28 2dbk s PRO 66 Cb -0.07 -2.87 1.07 0.00 0.04 0.00 0.00 34.50 32.67 2dbk s PRO 66 CO 0.01 -0.21 1.75 0.27 0.04 0.00 0.00 177.00 178.85 2dbk h PHE 67 N 3.03 0.00 0.00 0.56 -0.00 -1.89 -2.05 116.94 116.59 2dbk h PHE 67 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.48 2dbk h PHE 67 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.18 2dbk h PHE 67 CO 0.56 0.00 -0.13 1.79 -0.00 0.00 0.00 178.31 180.53 2dbk h THR 68 N 0.00 0.00 0.01 0.88 1.35 -1.98 -3.33 112.91 109.84 2dbk h THR 68 Ca 0.00 -0.70 -0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2dbk h THR 68 Cb 0.33 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2dbk h THR 68 CO 0.00 0.00 -0.00 -0.74 -0.25 0.00 0.00 175.52 174.53 2dbk h HIS 69 N 0.00 -0.01 -3.44 4.73 -0.00 -1.75 -3.44 115.15 111.23 2dbk h HIS 69 Ca 0.00 -0.00 -0.60 0.00 -0.00 0.00 0.00 60.37 59.77 2dbk h HIS 69 Cb 0.85 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.14 2dbk h HIS 69 CO 0.00 0.84 -0.37 0.14 -0.00 0.00 0.00 177.93 178.54 2dbk s VAL 70 N -2.61 5.30 -0.15 5.26 -7.23 -1.24 -2.95 120.40 116.78 2dbk s VAL 70 Ca -0.17 0.43 -0.19 0.00 -1.81 0.00 0.00 61.98 60.24 2dbk s VAL 70 Cb -0.02 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 2dbk s VAL 70 CO 0.65 0.34 0.53 -0.75 -0.31 0.00 0.00 175.10 175.55 2dbk s LYS 71 N 0.90 4.28 -0.23 4.82 2.20 -0.82 -4.86 119.74 126.04 2dbk s LYS 71 Ca 0.13 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.94 2dbk s LYS 71 Cb -0.13 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2dbk s LYS 71 CO 0.05 0.00 1.67 0.42 -0.36 0.00 0.00 175.35 177.13 2dbk s ILE 72 N 1.11 3.62 0.36 5.43 -1.09 -1.26 -3.37 121.20 126.00 2dbk s ILE 72 Ca 0.27 0.69 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 2dbk s ILE 72 Cb -0.15 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 2dbk s ILE 72 CO 0.11 -0.29 0.16 2.22 -1.23 0.00 0.00 174.94 175.90 2dbk n PHE 73 N 8.78 -0.17 -3.54 3.97 -1.74 -1.26 -5.05 117.46 118.44 2dbk n PHE 73 Ca 0.20 -1.61 -0.39 0.00 -0.56 0.00 0.00 57.45 55.08 2dbk n PHE 73 Cb 0.45 -0.27 -0.05 0.00 1.52 0.00 0.00 39.48 41.14 2dbk n PHE 73 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2dbk s ASP 74 N -3.04 6.30 0.00 5.98 1.47 -1.26 -4.88 116.67 121.24 2dbk s ASP 74 Ca 0.12 -3.48 0.11 0.00 1.18 0.00 0.00 52.55 50.48 2dbk s ASP 74 Cb -0.01 -2.01 0.68 0.00 -0.34 0.00 0.00 42.92 41.24 2dbk s ASP 74 CO 0.08 -0.27 1.11 -0.81 0.68 0.00 0.00 175.17 175.96 2dbk n PRO 75 N 2.73 0.49 -0.69 2.11 -0.04 -1.26 -3.92 135.00 134.41 2dbk n PRO 75 Ca 0.20 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.61 2dbk n PRO 75 Cb 0.39 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.86 1.39 -4.41 0.54 6.02 -1.26 -4.79 117.38 114.00 2dbk n GLN 76 Ca 0.09 -0.40 -0.20 0.00 -0.01 0.00 0.00 57.00 56.47 2dbk n GLN 76 Cb 0.04 -1.40 -0.15 0.00 1.02 0.00 0.00 30.24 29.74 2dbk n GLN 76 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2dbk s ASN 77 N 2.00 1.22 0.09 1.08 0.01 -1.25 -5.02 114.94 113.07 2dbk s ASN 77 Ca 0.27 -0.19 0.17 0.00 -0.71 0.00 0.00 52.86 52.40 2dbk s ASN 77 Cb 0.13 -0.27 0.74 0.00 0.41 0.00 0.00 41.25 42.26 2dbk s ASN 77 CO 0.00 0.09 1.54 -0.81 -1.51 0.00 0.00 177.10 176.41 2dbk n PRO 78 N 3.14 0.07 -0.27 -0.60 -0.04 -1.26 -3.54 135.00 132.50 2dbk n PRO 78 Ca -0.17 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.66 2dbk n PRO 78 Cb 0.55 -1.63 0.15 0.00 -0.04 0.00 0.00 33.50 32.53 2dbk n PRO 78 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2dbk h ASP 79 N 0.00 -0.46 -1.78 3.54 3.04 -1.95 -3.16 116.42 115.64 2dbk h ASP 79 Ca 0.00 0.21 -0.68 0.00 -3.24 0.00 0.00 57.03 53.33 2dbk h ASP 79 Cb 0.28 0.39 -0.14 0.00 -1.04 0.00 0.00 39.33 38.83 2dbk h ASP 79 CO 0.00 -0.22 1.34 -0.70 -2.04 0.00 0.00 179.24 177.62 2dbk s GLU 80 N -6.14 3.77 -0.78 4.15 2.12 -1.23 -4.95 118.70 115.63 2dbk s GLU 80 Ca -0.14 -1.81 -0.21 0.00 0.36 0.00 0.00 54.97 53.17 2dbk s GLU 80 Cb 0.23 -5.16 0.10 0.00 0.26 0.00 0.00 34.13 29.56 2dbk s GLU 80 CO 0.76 -1.96 1.02 1.21 -0.54 0.00 0.00 175.26 175.74 2dbk s ASN 81 N 3.90 6.37 -0.04 -1.70 2.47 -1.20 -4.98 114.94 119.77 2dbk s ASN 81 Ca 0.42 -1.49 -0.01 0.00 0.42 0.00 0.00 52.86 52.20 2dbk s ASN 81 Cb -0.02 -2.40 0.03 0.00 -1.45 0.00 0.00 41.25 37.41 2dbk s ASN 81 CO -0.05 -1.25 0.02 -1.61 -3.72 0.00 0.00 177.10 170.49 2dbk s GLU 82 N 3.36 0.18 -0.07 0.43 0.41 -1.26 -5.15 118.70 116.60 2dbk s GLU 82 Ca 0.26 0.18 -0.06 0.00 -0.41 0.00 0.00 54.97 54.94 2dbk s GLU 82 Cb -0.12 -0.52 -0.04 0.00 -1.78 0.00 0.00 34.13 31.67 2dbk s GLU 82 CO 0.01 -0.22 0.17 -1.54 -0.49 0.00 0.00 175.26 173.19 2dbk s SER 83 N 1.46 6.40 0.00 -0.19 1.04 -1.26 -5.08 113.70 116.08 2dbk s SER 83 Ca -0.04 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2dbk s SER 83 Cb -0.13 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2dbk s SER 83 CO -0.03 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2dbk n GLY 84 N 1.57 3.57 3.58 7.32 0.00 -1.26 -5.10 105.19 114.87 2dbk n GLY 84 Ca -0.16 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 1.17 3.10 0.29 1.61 0.04 -1.26 -4.99 135.00 134.96 2dbk s PRO 85 Ca 0.00 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.07 2dbk s PRO 85 Cb 0.00 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 2dbk s PRO 85 CO 0.00 -2.15 0.50 -1.12 0.04 0.00 0.00 177.00 174.27 2dbk s SER 86 N 6.55 6.36 -0.02 6.66 0.01 -1.26 -5.04 113.70 126.96 2dbk s SER 86 Ca 0.72 0.50 -0.05 0.00 1.31 0.00 0.00 55.95 58.44 2dbk s SER 86 Cb -0.17 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2dbk s SER 86 CO 0.28 -0.19 -0.10 -1.20 0.41 0.00 0.00 173.24 172.45 2dbk n SER 87 N -1.21 1.00 0.00 2.44 7.64 -1.26 -5.34 113.62 116.89 2dbk n SER 87 Ca -0.04 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2dbk n SER 87 Cb 0.55 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2dbk n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64