#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 3.78 -0.13 1.61 0.15 -1.26 -5.07 113.70 112.77 2dbk s SER 2 Ca 0.00 -0.85 -0.15 0.00 0.70 0.00 0.00 55.95 55.65 2dbk s SER 2 Cb 0.00 -0.43 -0.13 0.00 -1.71 0.00 0.00 66.02 63.75 2dbk s SER 2 CO 0.00 0.07 0.33 0.77 1.20 0.00 0.00 173.24 175.61 2dbk h SER 3 N 2.65 0.00 -1.89 5.45 4.64 -2.16 -3.51 113.55 118.74 2dbk h SER 3 Ca -0.44 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 2dbk h SER 3 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2dbk h SER 3 CO 0.55 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.96 2dbk n GLY 4 N 1.66 0.90 3.24 -0.77 0.00 -1.26 -5.17 105.19 103.79 2dbk n GLY 4 Ca -0.08 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -0.01 0.18 1.61 0.01 -1.26 -5.17 113.70 109.06 2dbk s SER 5 Ca 0.00 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 56.82 2dbk s SER 5 Cb 0.00 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2dbk s SER 5 CO 0.00 -0.75 0.05 -0.44 0.41 0.00 0.00 173.24 172.51 2dbk s SER 6 N -2.75 5.02 0.32 2.44 0.01 -1.26 -5.13 113.70 112.35 2dbk s SER 6 Ca 0.03 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 2dbk s SER 6 Cb 0.03 -1.15 0.02 0.00 0.21 0.00 0.00 66.02 65.12 2dbk s SER 6 CO -0.10 0.07 0.48 0.61 0.41 0.00 0.00 173.24 174.71 2dbk n GLY 7 N -0.29 2.02 3.72 3.44 0.00 -1.26 -5.17 105.19 107.66 2dbk n GLY 7 Ca -0.09 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.59 1.33 0.11 1.61 0.04 -1.26 -5.04 135.00 129.20 2dbk s PRO 8 Ca 0.23 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 2dbk s PRO 8 Cb -0.01 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 2dbk s PRO 8 CO 0.17 -2.20 0.49 -0.51 0.04 0.00 0.00 177.00 174.99 2dbk s LEU 9 N -6.20 4.36 0.00 -3.56 1.43 -1.26 -4.96 118.68 108.49 2dbk s LEU 9 Ca 0.63 0.98 0.15 0.00 -1.03 0.00 0.00 54.13 54.86 2dbk s LEU 9 Cb -0.18 -3.09 0.81 0.00 0.03 0.00 0.00 46.19 43.76 2dbk s LEU 9 CO 0.57 0.15 1.39 -0.81 0.23 0.00 0.00 176.35 177.88 2dbk n PRO 10 N 0.97 0.30 -1.40 1.29 -0.04 -1.26 -4.82 135.00 130.05 2dbk n PRO 10 Ca -0.07 0.10 -0.49 0.00 -0.04 0.00 0.00 63.50 62.99 2dbk n PRO 10 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 2dbk n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dbk n SER 11 N -1.19 0.62 -4.57 3.54 2.88 -1.26 -4.86 113.62 108.79 2dbk n SER 11 Ca 0.09 0.38 -0.29 0.00 -1.33 0.00 0.00 58.87 57.71 2dbk n SER 11 Cb 0.10 -0.95 0.22 0.00 -0.75 0.00 0.00 64.21 62.82 2dbk n SER 11 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dbk s THR 12 N 7.78 2.11 0.01 2.46 -1.32 -1.26 -4.97 115.64 120.45 2dbk s THR 12 Ca 1.27 0.04 -0.07 0.00 -1.21 0.00 0.00 61.69 61.71 2dbk s THR 12 Cb -1.31 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.49 2dbk s THR 12 CO 0.55 -0.05 1.11 1.56 -2.21 0.00 0.00 174.62 175.59 2dbk h GLN 13 N -2.30 -0.23 0.00 7.08 1.08 -2.01 -3.44 115.11 115.29 2dbk h GLN 13 Ca -0.55 0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 56.51 2dbk h GLN 13 Cb 1.31 0.05 0.09 0.00 -0.05 0.00 0.00 27.48 28.88 2dbk h GLN 13 CO 0.49 -0.15 -0.07 0.27 -0.95 0.00 0.00 178.83 178.41 2dbk n ASN 14 N -2.80 -2.66 -4.49 1.46 0.23 -1.26 -5.00 115.26 100.74 2dbk n ASN 14 Ca -0.03 -0.36 -0.31 0.00 -0.53 0.00 0.00 54.58 53.36 2dbk n ASN 14 Cb 0.10 -0.56 -0.12 0.00 -2.08 0.00 0.00 39.78 37.12 2dbk n ASN 14 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2dbk s GLY 15 N -1.89 1.63 0.72 4.83 0.00 -1.26 -5.12 107.32 106.23 2dbk s GLY 15 Ca 0.27 -1.19 -0.13 0.00 0.00 0.00 0.00 44.72 43.68 2dbk s GLY 15 CO 0.23 -1.10 1.10 2.56 0.00 0.00 0.00 173.10 175.89 2dbk s PRO 16 N -1.59 2.52 -0.20 2.90 0.04 -1.26 -5.02 135.00 132.39 2dbk s PRO 16 Ca 0.16 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 2dbk s PRO 16 Cb -0.11 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2dbk s PRO 16 CO 0.07 -1.45 0.38 0.08 0.04 0.00 0.00 177.00 176.12 2dbk s VAL 17 N -2.63 5.21 -0.14 -0.36 1.01 -1.25 -5.05 120.40 117.20 2dbk s VAL 17 Ca 0.64 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.24 2dbk s VAL 17 Cb -0.19 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2dbk s VAL 17 CO 0.49 0.27 0.03 -0.36 0.00 0.00 0.00 175.10 175.53 2dbk s PHE 18 N 1.24 3.22 -0.03 5.22 0.08 -1.26 -3.44 117.98 123.00 2dbk s PHE 18 Ca 0.18 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.34 2dbk s PHE 18 Cb -0.15 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2dbk s PHE 18 CO 0.08 0.29 -0.01 0.00 -0.10 0.00 0.00 175.22 175.48 2dbk s ALA 19 N -0.22 0.34 -0.11 5.36 0.00 -1.24 -4.02 121.76 121.86 2dbk s ALA 19 Ca 0.07 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 2dbk s ALA 19 Cb -0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2dbk s ALA 19 CO 0.02 -0.05 0.67 0.21 0.00 0.00 0.00 175.76 176.60 2dbk s LYS 20 N 0.91 4.37 -0.21 0.00 2.20 -1.20 -1.68 119.74 124.13 2dbk s LYS 20 Ca -0.09 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 56.00 2dbk s LYS 20 Cb -0.13 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2dbk s LYS 20 CO -0.01 -0.02 1.52 0.00 -0.36 0.00 0.00 175.35 176.48 2dbk s ALA 21 N 1.12 3.37 -0.10 3.13 0.00 -0.22 -2.57 121.76 126.48 2dbk s ALA 21 Ca 0.34 0.45 0.15 0.00 0.00 0.00 0.00 51.96 52.91 2dbk s ALA 21 Cb -0.17 -3.80 -0.15 0.00 0.00 0.00 0.00 23.12 19.00 2dbk s ALA 21 CO 0.15 -1.77 0.82 -0.84 0.00 0.00 0.00 175.76 174.12 2dbk h ILE 22 N 5.98 0.62 -1.91 0.00 3.07 -1.89 -0.73 117.51 122.64 2dbk h ILE 22 Ca -0.32 -2.20 -0.59 0.00 1.55 0.00 0.00 64.86 63.30 2dbk h ILE 22 Cb 1.14 2.16 -0.11 0.00 -0.27 0.00 0.00 36.82 39.73 2dbk h ILE 22 CO 1.00 0.35 -0.63 -1.58 -1.05 0.00 0.00 178.15 176.25 2dbk s GLN 23 N -2.84 2.02 -0.36 0.16 -0.44 -1.23 -4.80 119.66 112.17 2dbk s GLN 23 Ca -0.03 -1.80 -0.17 0.00 -2.50 0.00 0.00 55.36 50.86 2dbk s GLN 23 Cb 0.08 -1.88 -0.00 0.00 -1.64 0.00 0.00 33.01 29.58 2dbk s GLN 23 CO 0.81 0.13 0.46 0.21 0.50 0.00 0.00 175.29 177.40 2dbk s LYS 24 N -3.70 3.54 -0.23 1.67 2.20 -1.26 -3.95 119.74 118.01 2dbk s LYS 24 Ca 0.34 -0.31 -0.08 0.00 -0.36 0.00 0.00 55.97 55.57 2dbk s LYS 24 Cb 0.01 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 2dbk s LYS 24 CO 0.19 -0.64 0.08 0.50 -0.36 0.00 0.00 175.35 175.13 2dbk s ARG 25 N 2.26 3.79 -0.10 4.03 6.06 -1.11 -5.00 118.95 128.88 2dbk s ARG 25 Ca 0.16 -0.42 0.03 0.00 -2.50 0.00 0.00 55.73 53.00 2dbk s ARG 25 Cb -0.16 -3.33 0.01 0.00 0.06 0.00 0.00 34.95 31.53 2dbk s ARG 25 CO 0.13 -0.04 -0.20 0.14 -2.50 0.00 0.00 175.30 172.83 2dbk s VAL 26 N 1.23 1.78 0.78 7.11 -7.23 -1.26 -0.76 120.40 122.05 2dbk s VAL 26 Ca 0.05 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 2dbk s VAL 26 Cb -0.14 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.28 2dbk s VAL 26 CO 0.04 0.50 1.09 -2.16 -0.31 0.00 0.00 175.10 174.26 2dbk s PRO 27 N 0.63 2.23 0.57 4.82 0.04 -1.26 -5.01 135.00 137.03 2dbk s PRO 27 Ca -0.13 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.06 2dbk s PRO 27 Cb -0.16 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dbk s PRO 27 CO 0.04 -1.66 0.83 0.00 0.04 0.00 0.00 177.00 176.24 2dbk h ALA 29 N -0.05 1.01 -0.97 0.00 0.00 -2.03 -2.83 119.26 114.39 2dbk h ALA 29 Ca -0.44 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 53.66 2dbk h ALA 29 Cb 1.29 -0.31 -0.32 0.00 0.00 0.00 0.00 17.79 18.45 2dbk h ALA 29 CO 0.56 0.57 0.50 2.48 0.00 0.00 0.00 179.25 183.36 2dbk n TYR 30 N -4.37 3.12 -3.53 0.00 4.11 -1.26 -4.78 117.16 110.44 2dbk n TYR 30 Ca 0.07 -2.78 -0.28 0.00 -0.00 0.00 0.00 57.90 54.91 2dbk n TYR 30 Cb 0.13 -1.14 -0.11 0.00 -0.00 0.00 0.00 39.34 38.22 2dbk n TYR 30 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2dbk s ASP 31 N -2.15 2.51 -0.03 9.48 2.15 -1.07 -4.95 116.67 122.61 2dbk s ASP 31 Ca 0.60 -3.07 0.02 0.00 0.43 0.00 0.00 52.55 50.53 2dbk s ASP 31 Cb 0.48 -0.73 0.12 0.00 -0.30 0.00 0.00 42.92 42.48 2dbk s ASP 31 CO -0.06 -0.18 0.68 2.29 -0.17 0.00 0.00 175.17 177.73 2dbk n LYS 32 N 2.89 1.56 0.00 4.34 0.00 -1.26 -3.10 118.16 122.59 2dbk n LYS 32 Ca 0.23 -0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.09 2dbk n LYS 32 Cb 0.43 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.85 2dbk n LYS 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2dbk n THR 33 N 0.09 0.00 -2.68 0.58 -2.24 -1.26 -5.01 114.28 103.75 2dbk n THR 33 Ca 0.04 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 2dbk n THR 33 Cb 0.39 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.36 3.53 0.09 6.98 0.00 -1.18 -0.05 121.76 129.78 2dbk s ALA 34 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 2dbk s ALA 34 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 2dbk s ALA 34 CO 0.00 -0.80 0.82 -1.17 0.00 0.00 0.00 175.76 174.61 2dbk s LEU 35 N 2.54 4.50 -0.12 0.00 0.20 -1.23 -4.57 118.68 120.00 2dbk s LEU 35 Ca 0.46 1.59 -0.13 0.00 0.69 0.00 0.00 54.13 56.74 2dbk s LEU 35 Cb -0.17 -3.34 -0.05 0.00 -0.43 0.00 0.00 46.19 42.20 2dbk s LEU 35 CO 0.12 0.04 0.30 0.00 -0.29 0.00 0.00 176.35 176.53 2dbk s ALA 36 N -0.31 3.64 0.13 5.97 0.00 -1.26 -4.54 121.76 125.39 2dbk s ALA 36 Ca 0.40 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2dbk s ALA 36 Cb -0.22 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 2dbk s ALA 36 CO 0.26 0.23 0.05 -0.51 0.00 0.00 0.00 175.76 175.79 2dbk s LEU 37 N -0.03 1.80 -0.02 0.00 1.43 0.07 -4.95 118.68 116.98 2dbk s LEU 37 Ca 0.18 -1.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 2dbk s LEU 37 Cb -0.14 0.27 -0.00 0.00 0.03 0.00 0.00 46.19 46.35 2dbk s LEU 37 CO 0.06 -0.72 -0.11 -1.61 0.23 0.00 0.00 176.35 174.21 2dbk s GLU 38 N -4.04 0.99 -0.52 1.70 2.02 -1.26 -2.74 118.70 114.85 2dbk s GLU 38 Ca 0.24 -0.38 -0.42 0.00 0.02 0.00 0.00 54.97 54.44 2dbk s GLU 38 Cb 0.07 -0.93 -0.18 0.00 0.10 0.00 0.00 34.13 33.19 2dbk s GLU 38 CO 0.02 0.19 2.19 0.28 0.02 0.00 0.00 175.26 177.96 2dbk n VAL 39 N 3.02 0.02 0.00 2.63 0.31 -1.25 -1.64 118.33 121.42 2dbk n VAL 39 Ca -0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2dbk n VAL 39 Cb 0.55 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 7.28 1.95 3.31 2.92 0.00 -0.28 -5.03 105.19 115.34 2dbk n GLY 40 Ca 0.54 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 3.11 -0.39 1.61 -1.08 -0.65 -4.92 116.67 112.35 2dbk s ASP 41 Ca 0.00 -0.46 -0.22 0.00 -0.52 0.00 0.00 52.55 51.35 2dbk s ASP 41 Cb 0.00 -0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.01 2dbk s ASP 41 CO 0.00 0.31 0.72 -0.63 0.52 0.00 0.00 175.17 176.08 2dbk s ILE 42 N -0.53 4.78 -0.57 4.11 -1.09 -1.26 -1.06 121.20 125.58 2dbk s ILE 42 Ca 0.07 0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 58.89 2dbk s ILE 42 Cb -0.11 -4.19 0.08 0.00 -1.58 0.00 0.00 42.46 36.67 2dbk s ILE 42 CO -0.00 -0.47 0.71 -0.69 -1.23 0.00 0.00 174.94 173.26 2dbk s VAL 43 N 2.97 4.77 -0.51 2.92 1.01 -0.67 -4.90 120.40 125.98 2dbk s VAL 43 Ca 0.28 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2dbk s VAL 43 Cb -0.13 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.83 2dbk s VAL 43 CO 0.18 -1.05 1.03 -0.75 0.00 0.00 0.00 175.10 174.51 2dbk s LYS 44 N 2.87 3.52 -0.16 2.72 2.20 -1.26 -3.66 119.74 125.97 2dbk s LYS 44 Ca 0.15 0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 2dbk s LYS 44 Cb -0.21 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 2dbk s LYS 44 CO 0.09 -1.42 -0.03 0.54 -0.36 0.00 0.00 175.35 174.18 2dbk s VAL 45 N 4.20 3.90 -0.02 4.02 0.11 -1.22 -2.09 120.40 129.30 2dbk s VAL 45 Ca 0.39 -0.35 0.10 0.00 -2.93 0.00 0.00 61.98 59.19 2dbk s VAL 45 Cb -0.09 -2.72 -0.16 0.00 -1.53 0.00 0.00 36.38 31.88 2dbk s VAL 45 CO 0.26 0.48 0.21 0.35 -3.33 0.00 0.00 175.10 173.07 2dbk n THR 46 N 3.67 0.05 -4.03 5.04 -2.24 -1.19 -3.74 114.28 111.84 2dbk n THR 46 Ca -0.17 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 2dbk n THR 46 Cb 0.52 0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 68.80 2dbk n THR 46 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2dbk s ARG 47 N -2.67 1.99 -0.28 -0.78 3.52 -1.23 -5.05 118.95 114.44 2dbk s ARG 47 Ca -0.04 -1.54 -0.08 0.00 -0.13 0.00 0.00 55.73 53.94 2dbk s ARG 47 Cb 0.06 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 2dbk s ARG 47 CO 0.42 -0.71 0.11 -1.64 -0.81 0.00 0.00 175.30 172.67 2dbk s MET 48 N 1.04 3.43 0.19 5.12 -1.94 -1.26 -0.81 119.30 125.06 2dbk s MET 48 Ca -0.02 -0.64 -0.27 0.00 -1.71 0.00 0.00 55.69 53.05 2dbk s MET 48 Cb -0.20 -3.43 -0.08 0.00 2.01 0.00 0.00 34.83 33.13 2dbk s MET 48 CO -0.06 -0.32 0.85 -0.80 -0.01 0.00 0.00 175.02 174.67 2dbk s ASN 49 N 1.60 7.48 0.18 3.03 0.01 -1.19 -4.97 114.94 121.08 2dbk s ASN 49 Ca 0.05 1.76 -0.13 0.00 -0.71 0.00 0.00 52.86 53.82 2dbk s ASN 49 Cb -0.16 -2.54 0.17 0.00 0.41 0.00 0.00 41.25 39.13 2dbk s ASN 49 CO 0.05 0.17 1.72 0.40 -1.51 0.00 0.00 177.10 177.92 2dbk h ILE 50 N 3.33 0.73 -0.83 0.60 1.08 -1.98 -2.53 117.51 117.91 2dbk h ILE 50 Ca -0.46 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.05 2dbk h ILE 50 Cb 1.20 0.49 -0.13 0.00 -3.07 0.00 0.00 36.82 35.31 2dbk h ILE 50 CO 0.67 0.04 -0.35 -3.20 -0.69 0.00 0.00 178.15 174.63 2dbk n ASN 51 N -5.11 -0.58 0.00 1.72 5.15 -1.26 -4.82 115.26 110.35 2dbk n ASN 51 Ca 0.05 1.46 0.00 0.00 -0.60 0.00 0.00 54.58 55.49 2dbk n ASN 51 Cb 0.23 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 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 -1.37 1.44 3.74 8.20 0.00 -0.95 -5.13 105.19 111.12 2dbk n GLY 52 Ca 0.08 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.45 0.44 1.61 -2.07 -1.26 -4.65 119.66 118.17 2dbk s GLN 53 Ca 0.00 1.98 0.07 0.00 -1.82 0.00 0.00 55.36 55.59 2dbk s GLN 53 Cb 0.00 -3.20 -0.02 0.00 -1.09 0.00 0.00 33.01 28.70 2dbk s GLN 53 CO 0.00 -0.14 0.33 -1.58 -1.32 0.00 0.00 175.29 172.58 2dbk s TRP 54 N -0.16 2.50 -0.19 9.60 0.51 -1.22 -3.19 118.94 126.78 2dbk s TRP 54 Ca 0.53 -0.58 0.01 0.00 -2.12 0.00 0.00 56.10 53.95 2dbk s TRP 54 Cb -0.35 -2.08 0.02 0.00 -0.81 0.00 0.00 33.47 30.26 2dbk s TRP 54 CO 0.39 -0.11 -0.18 -2.00 -0.51 0.00 0.00 176.95 174.54 2dbk s GLU 55 N -4.10 2.96 0.15 4.98 2.12 0.00 -3.25 118.70 121.55 2dbk s GLU 55 Ca 0.44 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.94 2dbk s GLU 55 Cb -0.01 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 2dbk s GLU 55 CO 0.26 -0.24 -0.06 0.20 -0.54 0.00 0.00 175.26 174.88 2dbk s GLY 56 N 1.29 1.07 -0.18 -1.50 0.00 -1.24 -3.17 107.32 103.59 2dbk s GLY 56 Ca 0.04 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.24 2dbk s GLY 56 CO -0.12 -1.55 -0.11 1.85 0.00 0.00 0.00 173.10 173.18 2dbk s GLU 57 N -3.82 3.30 0.00 2.90 -6.30 -0.89 -3.16 118.70 110.73 2dbk s GLU 57 Ca 0.18 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 51.96 2dbk s GLU 57 Cb 0.04 -2.79 -0.00 0.00 0.00 0.00 0.00 34.13 31.38 2dbk s GLU 57 CO 0.01 -0.06 -0.01 0.08 0.02 0.00 0.00 175.26 175.30 2dbk s VAL 58 N 1.05 0.05 -1.55 3.70 1.01 0.64 -4.16 120.40 121.14 2dbk s VAL 58 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 2dbk s VAL 58 Cb -0.15 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.18 2dbk s VAL 58 CO -0.02 -0.07 0.15 0.59 0.00 0.00 0.00 175.10 175.75 2dbk n ASN 59 N 2.84 0.37 -3.72 3.32 3.02 -1.26 0.45 115.26 120.27 2dbk n ASN 59 Ca -0.14 -1.21 -0.25 0.00 -0.03 0.00 0.00 54.58 52.94 2dbk n ASN 59 Cb 0.59 -1.92 0.05 0.00 -0.61 0.00 0.00 39.78 37.89 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 -2.31 -0.48 3.13 7.41 0.00 -1.26 -4.99 105.19 106.69 2dbk n GLY 60 Ca -0.28 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.31 0.28 -0.19 1.61 3.52 0.17 -5.14 118.95 112.89 2dbk s ARG 61 Ca 0.49 0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 56.65 2dbk s ARG 61 Cb -0.23 -0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.13 2dbk s ARG 61 CO 0.78 -0.13 -0.13 0.15 -0.81 0.00 0.00 175.30 175.15 2dbk s LYS 62 N 1.04 3.16 0.26 5.12 1.02 -1.26 -0.26 119.74 128.82 2dbk s LYS 62 Ca -0.07 -0.74 -0.14 0.00 0.02 0.00 0.00 55.97 55.03 2dbk s LYS 62 Cb -0.08 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2dbk s LYS 62 CO -0.07 -0.18 0.55 0.20 -0.92 0.00 0.00 175.35 174.92 2dbk s GLY 63 N 1.31 0.42 -0.05 -3.33 0.00 -1.19 -4.82 107.32 99.66 2dbk s GLY 63 Ca 0.04 -0.77 -0.21 0.00 0.00 0.00 0.00 44.72 43.79 2dbk s GLY 63 CO -0.08 -0.50 0.61 1.08 0.00 0.00 0.00 173.10 174.21 2dbk s LEU 64 N -3.01 4.35 0.01 0.66 1.43 0.92 -3.59 118.68 119.46 2dbk s LEU 64 Ca 0.20 1.10 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 2dbk s LEU 64 Cb -0.02 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2dbk s LEU 64 CO 0.09 0.00 -0.03 0.72 0.23 0.00 0.00 176.35 177.37 2dbk s PHE 65 N 0.32 0.22 0.62 0.29 -0.12 -1.20 -3.50 117.98 114.60 2dbk s PHE 65 Ca 0.32 -0.18 -0.17 0.00 -0.05 0.00 0.00 56.93 56.85 2dbk s PHE 65 Cb -0.17 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.05 2dbk s PHE 65 CO 0.16 -0.05 1.12 -1.25 -0.05 0.00 0.00 175.22 175.15 2dbk s PRO 66 N -0.50 3.01 0.31 1.99 0.04 -1.26 -3.44 135.00 135.16 2dbk s PRO 66 Ca -0.04 1.47 0.16 0.00 0.04 0.00 0.00 61.00 62.64 2dbk s PRO 66 Cb -0.04 -1.97 0.31 0.00 0.04 0.00 0.00 34.50 32.84 2dbk s PRO 66 CO -0.00 -1.10 1.56 0.27 0.04 0.00 0.00 177.00 177.77 2dbk h PHE 67 N 0.47 0.00 0.00 0.56 -5.15 -1.88 -3.09 116.94 107.85 2dbk h PHE 67 Ca -0.48 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.29 2dbk h PHE 67 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.42 2dbk h PHE 67 CO 0.53 0.47 -0.02 1.79 -2.00 0.00 0.00 178.31 179.08 2dbk h THR 68 N 0.00 0.05 -0.01 0.88 1.35 -1.98 -2.95 112.91 110.26 2dbk h THR 68 Ca -0.00 -0.44 -0.13 0.00 -0.55 0.00 0.00 66.41 65.29 2dbk h THR 68 Cb 1.20 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2dbk h THR 68 CO 0.06 0.02 -0.51 -0.74 -0.25 0.00 0.00 175.52 174.10 2dbk h HIS 69 N 0.00 0.53 -3.30 4.73 -0.00 -1.93 -3.44 115.15 111.74 2dbk h HIS 69 Ca -0.00 -0.28 -0.63 0.00 -0.00 0.00 0.00 60.37 59.46 2dbk h HIS 69 Cb 0.41 -0.06 -0.20 0.00 -0.00 0.00 0.00 27.41 27.56 2dbk h HIS 69 CO 0.00 1.09 -0.63 0.14 -0.00 0.00 0.00 177.93 178.53 2dbk s VAL 70 N -3.24 4.23 -0.17 5.26 -7.23 -1.11 -3.10 120.40 115.04 2dbk s VAL 70 Ca -0.14 -0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 59.59 2dbk s VAL 70 Cb 0.03 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 2dbk s VAL 70 CO 0.80 0.48 0.61 -0.75 -0.31 0.00 0.00 175.10 175.93 2dbk s LYS 71 N 0.38 4.26 -0.17 4.82 2.20 -1.06 -4.82 119.74 125.35 2dbk s LYS 71 Ca -0.01 0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 2dbk s LYS 71 Cb -0.14 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 2dbk s LYS 71 CO 0.02 -0.13 1.66 0.42 -0.36 0.00 0.00 175.35 176.96 2dbk s ILE 72 N 1.53 3.63 0.31 5.43 -1.09 -1.26 -3.24 121.20 126.51 2dbk s ILE 72 Ca 0.29 0.72 0.06 0.00 -2.23 0.00 0.00 60.65 59.50 2dbk s ILE 72 Cb -0.16 -3.60 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 2dbk s ILE 72 CO 0.11 -0.21 -0.03 0.72 -1.23 0.00 0.00 174.94 174.31 2dbk s PHE 73 N 4.99 2.05 -0.04 3.97 -0.71 -1.26 -5.03 117.98 121.96 2dbk s PHE 73 Ca 0.73 -0.73 -0.15 0.00 -1.04 0.00 0.00 56.93 55.74 2dbk s PHE 73 Cb -0.28 -1.24 -0.05 0.00 -1.21 0.00 0.00 43.02 40.24 2dbk s PHE 73 CO 0.29 0.27 0.40 0.34 -1.34 0.00 0.00 175.22 175.19 2dbk s ASP 74 N -3.49 6.74 0.19 1.98 2.15 -1.26 -4.81 116.67 118.16 2dbk s ASP 74 Ca 0.32 0.88 -0.05 0.00 0.43 0.00 0.00 52.55 54.12 2dbk s ASP 74 Cb 0.05 -2.25 0.10 0.00 -0.30 0.00 0.00 42.92 40.53 2dbk s ASP 74 CO 0.14 0.24 1.54 1.55 -0.17 0.00 0.00 175.17 178.46 2dbk h PRO 75 N 5.30 0.71 -2.17 4.34 0.13 -2.01 -3.25 132.00 135.07 2dbk h PRO 75 Ca -0.49 -0.38 -0.59 0.00 -0.87 0.00 0.00 66.00 63.68 2dbk h PRO 75 Cb 1.21 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2dbk h PRO 75 CO 0.66 0.99 0.97 1.04 -0.23 0.00 0.00 178.00 181.42 2dbk n GLN 76 N -4.03 3.08 -3.56 0.86 6.02 -1.26 -4.82 117.38 113.66 2dbk n GLN 76 Ca -0.02 -2.77 -0.39 0.00 -0.01 0.00 0.00 57.00 53.80 2dbk n GLN 76 Cb 0.54 -2.29 -0.06 0.00 1.02 0.00 0.00 30.24 29.46 2dbk n GLN 76 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dbk s ASN 77 N 0.23 6.09 0.00 1.08 4.22 -1.23 -4.88 114.94 120.45 2dbk s ASN 77 Ca 0.57 -3.28 0.15 0.00 -2.14 0.00 0.00 52.86 48.16 2dbk s ASN 77 Cb 0.33 -1.99 0.86 0.00 1.28 0.00 0.00 41.25 41.73 2dbk s ASN 77 CO -0.20 -0.32 1.37 -0.81 -2.04 0.00 0.00 177.10 175.11 2dbk n PRO 78 N 3.00 0.37 -3.38 3.55 -0.04 -1.26 -4.71 135.00 132.53 2dbk n PRO 78 Ca 0.17 0.06 -0.38 0.00 -0.04 0.00 0.00 63.50 63.30 2dbk n PRO 78 Cb 0.39 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.23 6.82 -0.17 3.54 -4.77 -1.26 -5.07 116.67 113.53 2dbk s ASP 79 Ca 0.20 0.98 -0.06 0.00 -3.30 0.00 0.00 52.55 50.36 2dbk s ASP 79 Cb 0.10 -2.29 0.08 0.00 -1.09 0.00 0.00 42.92 39.72 2dbk s ASP 79 CO 0.20 0.19 0.36 -1.83 0.70 0.00 0.00 175.17 174.79 2dbk s GLU 80 N -0.46 0.26 0.59 2.11 -1.05 -1.26 -5.16 118.70 113.73 2dbk s GLU 80 Ca 0.26 0.88 -0.09 0.00 -0.15 0.00 0.00 54.97 55.87 2dbk s GLU 80 Cb -0.17 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 2dbk s GLU 80 CO 0.14 -0.25 0.96 0.54 0.95 0.00 0.00 175.26 177.60 2dbk s ASN 81 N 2.32 6.09 -0.39 0.83 2.20 -1.26 -5.02 114.94 119.71 2dbk s ASN 81 Ca -0.02 1.19 -0.24 0.00 -0.94 0.00 0.00 52.86 52.84 2dbk s ASN 81 Cb -0.11 -2.28 0.02 0.00 -2.00 0.00 0.00 41.25 36.87 2dbk s ASN 81 CO -0.11 -0.86 0.85 -0.70 -2.94 0.00 0.00 177.10 173.34 2dbk s GLU 82 N -5.06 3.70 0.20 3.55 2.12 -1.26 -5.04 118.70 116.90 2dbk s GLU 82 Ca 0.53 0.32 0.05 0.00 0.36 0.00 0.00 54.97 56.23 2dbk s GLU 82 Cb -0.11 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2dbk s GLU 82 CO 0.50 -0.98 0.23 -1.12 -0.54 0.00 0.00 175.26 173.36 2dbk s SER 83 N 1.97 5.90 -0.75 -1.70 0.01 -1.26 -5.06 113.70 112.81 2dbk s SER 83 Ca 0.34 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.59 2dbk s SER 83 Cb -0.12 -1.64 0.31 0.00 0.21 0.00 0.00 66.02 64.78 2dbk s SER 83 CO 0.20 0.01 1.13 0.61 0.41 0.00 0.00 173.24 175.60 2dbk n GLY 84 N -0.81 5.43 3.70 3.44 0.00 -1.26 -5.07 105.19 110.62 2dbk n GLY 84 Ca -0.08 -2.73 -0.29 0.00 0.00 0.00 0.00 46.02 42.92 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 -3.27 0.83 -0.74 1.61 0.04 -1.26 -5.02 135.00 127.19 2dbk s PRO 85 Ca 0.42 0.67 0.03 0.00 0.04 0.00 0.00 61.00 62.16 2dbk s PRO 85 Cb 0.20 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 33.14 2dbk s PRO 85 CO -0.07 -2.50 0.55 -1.12 0.04 0.00 0.00 177.00 173.91 2dbk s SER 86 N -3.44 5.11 -0.16 6.66 0.01 -1.26 -5.03 113.70 115.58 2dbk s SER 86 Ca 0.64 -3.76 -0.29 0.00 1.31 0.00 0.00 55.95 53.85 2dbk s SER 86 Cb -0.18 -1.71 0.12 0.00 0.21 0.00 0.00 66.02 64.45 2dbk s SER 86 CO 0.57 -0.12 0.95 -0.44 0.41 0.00 0.00 173.24 174.61 2dbk s SER 87 N -1.02 -0.43 0.00 2.44 0.01 -1.26 -5.37 113.70 108.06 2dbk s SER 87 Ca 0.25 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2dbk s SER 87 Cb -0.07 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2dbk s SER 87 CO -0.14 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.76