#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 0.08 0.20 1.61 0.15 -1.26 -5.17 113.70 109.31 2dbk s SER 2 Ca 0.00 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.43 2dbk s SER 2 Cb 0.00 0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.42 2dbk s SER 2 CO 0.00 -0.27 0.04 -0.55 1.20 0.00 0.00 173.24 173.66 2dbk s SER 3 N -1.10 1.08 0.19 5.45 0.15 -1.26 -5.18 113.70 113.04 2dbk s SER 3 Ca -0.12 -1.25 -0.01 0.00 0.70 0.00 0.00 55.95 55.27 2dbk s SER 3 Cb -0.07 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2dbk s SER 3 CO 0.00 -0.64 0.11 -0.83 1.20 0.00 0.00 173.24 173.07 2dbk s GLY 4 N -3.21 1.38 -0.13 9.45 0.00 -1.26 -5.15 107.32 108.40 2dbk s GLY 4 Ca 0.29 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.35 2dbk s GLY 4 CO 0.07 -1.42 -0.16 -1.35 0.00 0.00 0.00 173.10 170.23 2dbk s SER 5 N -3.16 3.70 -0.15 1.64 1.04 -1.26 -5.11 113.70 110.40 2dbk s SER 5 Ca 0.35 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 2dbk s SER 5 Cb 0.07 -1.55 -0.05 0.00 0.10 0.00 0.00 66.02 64.60 2dbk s SER 5 CO 0.10 0.15 0.21 -0.44 0.98 0.00 0.00 173.24 174.23 2dbk s SER 6 N 0.45 6.38 0.00 7.02 0.01 -1.26 -5.04 113.70 121.27 2dbk s SER 6 Ca -0.12 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2dbk s SER 6 Cb -0.16 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2dbk s SER 6 CO 0.05 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2dbk n GLY 7 N 2.93 3.86 3.64 3.44 0.00 -1.26 -5.16 105.19 112.63 2dbk n GLY 7 Ca -0.16 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.97 -0.37 0.40 1.61 0.04 -1.26 -4.97 135.00 128.48 2dbk s PRO 8 Ca 0.00 0.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 2dbk s PRO 8 Cb 0.00 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 2dbk s PRO 8 CO 0.00 -3.20 1.42 -0.51 0.04 0.00 0.00 177.00 174.74 2dbk s LEU 9 N -6.69 4.26 0.00 -3.56 2.01 -1.26 -4.88 118.68 108.55 2dbk s LEU 9 Ca 0.68 2.91 0.14 0.00 0.01 0.00 0.00 54.13 57.87 2dbk s LEU 9 Cb -0.15 -3.78 0.61 0.00 0.01 0.00 0.00 46.19 42.88 2dbk s LEU 9 CO 0.57 -0.92 1.45 -0.81 1.01 0.00 0.00 176.35 177.65 2dbk n PRO 10 N 0.26 0.00 -2.62 1.29 -0.04 -1.26 -4.76 135.00 127.87 2dbk n PRO 10 Ca 0.02 0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.53 2dbk n PRO 10 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2dbk n PRO 10 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dbk s SER 11 N -2.99 5.25 -0.22 3.54 0.01 -1.26 -4.99 113.70 113.04 2dbk s SER 11 Ca 0.07 0.01 -0.38 0.00 1.31 0.00 0.00 55.95 56.96 2dbk s SER 11 Cb 0.09 -0.89 -0.14 0.00 0.21 0.00 0.00 66.02 65.29 2dbk s SER 11 CO 0.26 -1.17 1.79 0.35 0.41 0.00 0.00 173.24 174.88 2dbk n THR 12 N -2.37 0.39 -2.90 1.44 -2.24 -1.26 -4.89 114.28 102.45 2dbk n THR 12 Ca 0.08 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2dbk n THR 12 Cb 0.60 -1.42 -0.05 0.00 -2.10 0.00 0.00 70.33 67.36 2dbk n THR 12 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2dbk s GLN 13 N 3.72 3.40 0.24 -0.78 0.74 -1.26 -5.02 119.66 120.70 2dbk s GLN 13 Ca 0.97 -0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.95 2dbk s GLN 13 Cb -0.96 -3.98 -0.10 0.00 1.10 0.00 0.00 33.01 29.08 2dbk s GLN 13 CO 0.62 -1.26 1.40 -0.80 -0.55 0.00 0.00 175.29 174.70 2dbk s ASN 14 N 2.40 6.72 0.48 6.67 0.01 -1.26 -4.97 114.94 124.99 2dbk s ASN 14 Ca 0.31 2.61 -0.23 0.00 -0.71 0.00 0.00 52.86 54.84 2dbk s ASN 14 Cb -0.12 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.85 2dbk s ASN 14 CO 0.22 -0.65 1.23 -0.83 -1.51 0.00 0.00 177.10 175.56 2dbk s GLY 15 N 0.29 2.82 0.32 0.66 0.00 -1.26 -4.98 107.32 105.16 2dbk s GLY 15 Ca 0.58 1.06 -0.29 0.00 0.00 0.00 0.00 44.72 46.07 2dbk s GLY 15 CO 0.43 1.54 1.22 2.56 0.00 0.00 0.00 173.10 178.85 2dbk s PRO 16 N -2.74 4.43 -0.22 2.90 0.04 -1.26 -5.02 135.00 133.12 2dbk s PRO 16 Ca 0.66 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.65 2dbk s PRO 16 Cb -0.32 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2dbk s PRO 16 CO 0.39 -0.06 0.10 0.08 0.04 0.00 0.00 177.00 177.55 2dbk s VAL 17 N -1.17 4.95 -0.04 -0.36 1.01 -1.25 -5.06 120.40 118.48 2dbk s VAL 17 Ca 0.48 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 2dbk s VAL 17 Cb -0.36 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2dbk s VAL 17 CO 0.47 0.39 0.34 -0.36 0.00 0.00 0.00 175.10 175.94 2dbk s PHE 18 N 0.85 3.69 -0.07 5.22 0.40 -1.26 -3.45 117.98 123.36 2dbk s PHE 18 Ca 0.05 0.87 -0.02 0.00 -0.60 0.00 0.00 56.93 57.23 2dbk s PHE 18 Cb -0.13 -2.20 0.03 0.00 0.51 0.00 0.00 43.02 41.23 2dbk s PHE 18 CO 0.03 0.66 0.03 0.00 0.70 0.00 0.00 175.22 176.64 2dbk s ALA 19 N -1.02 0.49 0.04 5.36 0.00 -1.13 -3.98 121.76 121.52 2dbk s ALA 19 Ca 0.21 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 2dbk s ALA 19 Cb -0.15 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2dbk s ALA 19 CO 0.11 -0.53 0.64 0.21 0.00 0.00 0.00 175.76 176.18 2dbk s LYS 20 N 2.06 4.35 -0.48 0.00 2.20 -1.20 -1.30 119.74 125.37 2dbk s LYS 20 Ca 0.05 0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 56.21 2dbk s LYS 20 Cb -0.12 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 2dbk s LYS 20 CO -0.05 0.43 1.37 0.00 -0.36 0.00 0.00 175.35 176.74 2dbk s ALA 21 N -0.45 2.97 0.16 3.13 0.00 -0.05 -2.36 121.76 125.16 2dbk s ALA 21 Ca 0.32 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2dbk s ALA 21 Cb -0.19 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2dbk s ALA 21 CO 0.19 -2.59 1.38 -0.84 0.00 0.00 0.00 175.76 173.90 2dbk h ILE 22 N 6.39 1.46 -2.86 0.00 3.07 -1.89 -2.01 117.51 121.67 2dbk h ILE 22 Ca -0.26 -2.49 -0.61 0.00 1.55 0.00 0.00 64.86 63.04 2dbk h ILE 22 Cb 1.09 2.39 -0.13 0.00 -0.27 0.00 0.00 36.82 39.90 2dbk h ILE 22 CO 1.13 0.73 -0.69 -1.10 -1.05 0.00 0.00 178.15 177.17 2dbk s GLN 23 N -3.30 2.20 -0.10 0.16 -1.52 -1.25 -4.70 119.66 111.15 2dbk s GLN 23 Ca -0.04 -1.24 -0.30 0.00 -1.95 0.00 0.00 55.36 51.84 2dbk s GLN 23 Cb 0.10 -2.22 -0.02 0.00 -0.22 0.00 0.00 33.01 30.65 2dbk s GLN 23 CO 0.83 0.43 1.13 0.21 -0.25 0.00 0.00 175.29 177.64 2dbk s LYS 24 N -2.97 4.35 -0.13 2.91 2.20 -1.26 -4.37 119.74 120.47 2dbk s LYS 24 Ca 0.26 1.55 -0.14 0.00 -0.36 0.00 0.00 55.97 57.29 2dbk s LYS 24 Cb -0.09 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2dbk s LYS 24 CO 0.17 -0.46 0.31 0.50 -0.36 0.00 0.00 175.35 175.51 2dbk s ARG 25 N 2.42 4.13 -0.43 4.03 3.00 0.34 -4.98 118.95 127.45 2dbk s ARG 25 Ca 0.52 0.15 0.03 0.00 -1.00 0.00 0.00 55.73 55.43 2dbk s ARG 25 Cb -0.21 -3.37 0.12 0.00 0.00 0.00 0.00 34.95 31.49 2dbk s ARG 25 CO 0.18 0.36 0.19 0.08 0.00 0.00 0.00 175.30 176.11 2dbk s VAL 26 N 0.08 1.81 0.58 7.11 1.01 -1.26 -3.48 120.40 126.25 2dbk s VAL 26 Ca 0.18 -2.58 -0.18 0.00 0.00 0.00 0.00 61.98 59.40 2dbk s VAL 26 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2dbk s VAL 26 CO 0.06 -0.79 1.12 -2.16 0.00 0.00 0.00 175.10 173.33 2dbk s PRO 27 N 0.43 3.15 0.55 2.72 0.04 -1.26 -4.97 135.00 135.66 2dbk s PRO 27 Ca 0.15 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2dbk s PRO 27 Cb -0.23 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 2dbk s PRO 27 CO -0.05 -0.99 0.71 0.00 0.04 0.00 0.00 177.00 176.71 2dbk h ALA 29 N 0.50 2.43 -0.68 0.00 0.00 -2.02 -0.41 119.26 119.06 2dbk h ALA 29 Ca -0.46 0.01 -0.50 0.00 0.00 0.00 0.00 54.91 53.96 2dbk h ALA 29 Cb 1.38 0.01 -0.38 0.00 0.00 0.00 0.00 17.79 18.80 2dbk h ALA 29 CO 0.50 -0.72 -0.74 2.48 0.00 0.00 0.00 179.25 180.76 2dbk n TYR 30 N -4.45 2.50 -3.25 0.00 0.18 -1.26 -5.05 117.16 105.83 2dbk n TYR 30 Ca 0.20 -2.17 -0.35 0.00 1.88 0.00 0.00 57.90 57.46 2dbk n TYR 30 Cb 0.82 -0.36 -0.06 0.00 -0.38 0.00 0.00 39.34 39.36 2dbk n TYR 30 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2dbk s ASP 31 N -3.51 6.87 0.00 9.48 -1.08 -0.17 -4.97 116.67 123.28 2dbk s ASP 31 Ca 0.50 1.19 0.00 0.00 -0.52 0.00 0.00 52.55 53.72 2dbk s ASP 31 Cb 0.41 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 2dbk s ASP 31 CO 0.03 0.02 0.00 2.29 0.52 0.00 0.00 175.17 178.03 2dbk n LYS 32 N 0.51 2.24 -0.24 4.34 0.00 -1.26 -4.69 118.16 119.06 2dbk n LYS 32 Ca -0.03 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.39 2dbk n LYS 32 Cb 0.52 -0.90 0.23 0.00 -0.00 0.00 0.00 35.03 34.87 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 -1.47 0.74 -3.77 0.58 -2.24 -1.26 -4.80 114.28 102.06 2dbk n THR 33 Ca 0.00 -0.87 -0.37 0.00 -2.27 0.00 0.00 64.05 60.54 2dbk n THR 33 Cb 0.21 0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.18 3.03 0.12 6.98 0.00 -1.26 -1.30 121.76 128.16 2dbk s ALA 34 Ca 0.37 -1.62 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 2dbk s ALA 34 Cb 0.20 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 2dbk s ALA 34 CO 0.28 -1.15 0.90 -1.17 0.00 0.00 0.00 175.76 174.61 2dbk s LEU 35 N 1.43 4.52 -0.15 0.00 0.20 -1.01 -4.74 118.68 118.93 2dbk s LEU 35 Ca -0.00 1.73 -0.14 0.00 0.69 0.00 0.00 54.13 56.41 2dbk s LEU 35 Cb -0.18 -3.49 -0.05 0.00 -0.43 0.00 0.00 46.19 42.04 2dbk s LEU 35 CO 0.02 0.01 0.31 0.00 -0.29 0.00 0.00 176.35 176.40 2dbk s ALA 36 N -0.30 3.59 0.03 5.97 0.00 -1.26 -4.68 121.76 125.12 2dbk s ALA 36 Ca 0.43 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2dbk s ALA 36 Cb -0.23 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 2dbk s ALA 36 CO 0.28 0.11 -0.01 -0.51 0.00 0.00 0.00 175.76 175.63 2dbk s LEU 37 N 0.38 2.24 -0.01 0.00 1.43 -1.23 -4.99 118.68 116.50 2dbk s LEU 37 Ca 0.17 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2dbk s LEU 37 Cb -0.13 0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 2dbk s LEU 37 CO 0.05 -0.40 -0.25 -0.70 0.23 0.00 0.00 176.35 175.27 2dbk s GLU 38 N -2.22 2.10 -0.48 1.70 2.12 -1.26 -0.51 118.70 120.15 2dbk s GLU 38 Ca -0.09 -0.93 -0.27 0.00 0.36 0.00 0.00 54.97 54.04 2dbk s GLU 38 Cb -0.04 -2.06 -0.14 0.00 0.26 0.00 0.00 34.13 32.14 2dbk s GLU 38 CO -0.04 0.56 1.64 0.28 -0.54 0.00 0.00 175.26 177.16 2dbk n VAL 39 N 2.32 0.00 0.00 3.70 0.31 -1.26 -1.75 118.33 121.65 2dbk n VAL 39 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2dbk n VAL 39 Cb 0.51 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 4.93 0.87 3.05 2.92 0.00 -0.75 -5.05 105.19 111.16 2dbk n GLY 40 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.68 2.19 0.27 1.61 1.01 -0.72 -4.96 116.67 114.39 2dbk s ASP 41 Ca 0.00 -0.37 -0.29 0.00 0.71 0.00 0.00 52.55 52.59 2dbk s ASP 41 Cb 0.00 -0.99 -0.09 0.00 1.01 0.00 0.00 42.92 42.85 2dbk s ASP 41 CO 0.00 0.04 1.02 -0.63 0.21 0.00 0.00 175.17 175.81 2dbk s ILE 42 N 0.79 3.78 -0.29 0.77 -1.09 -1.26 -0.87 121.20 123.03 2dbk s ILE 42 Ca -0.11 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 2dbk s ILE 42 Cb -0.16 -4.09 0.09 0.00 -1.58 0.00 0.00 42.46 36.72 2dbk s ILE 42 CO 0.02 0.38 0.05 -0.69 -1.23 0.00 0.00 174.94 173.47 2dbk s VAL 43 N -1.23 1.23 -0.52 2.92 1.01 -0.42 -4.70 120.40 118.69 2dbk s VAL 43 Ca 0.44 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 2dbk s VAL 43 Cb -0.28 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2dbk s VAL 43 CO 0.35 -0.49 1.24 -0.75 0.00 0.00 0.00 175.10 175.45 2dbk s LYS 44 N 1.47 3.57 -0.11 2.72 2.20 -1.21 -2.84 119.74 125.54 2dbk s LYS 44 Ca 0.06 0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2dbk s LYS 44 Cb -0.18 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2dbk s LYS 44 CO -0.16 -1.59 0.04 0.54 -0.36 0.00 0.00 175.35 173.82 2dbk s VAL 45 N 5.00 4.65 -0.01 4.02 0.11 -1.22 -0.02 120.40 132.92 2dbk s VAL 45 Ca 0.49 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.44 2dbk s VAL 45 Cb -0.09 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.75 2dbk s VAL 45 CO 0.29 0.58 0.00 0.35 -3.33 0.00 0.00 175.10 172.99 2dbk n THR 46 N 2.44 0.09 -4.01 5.04 -2.24 -1.15 -3.86 114.28 110.58 2dbk n THR 46 Ca -0.18 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2dbk n THR 46 Cb 0.54 -0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.03 2.78 -0.33 -0.78 0.52 -1.25 -5.03 118.95 112.83 2dbk s ARG 47 Ca -0.01 -1.00 -0.08 0.00 -0.52 0.00 0.00 55.73 54.12 2dbk s ARG 47 Cb 0.00 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.61 2dbk s ARG 47 CO 0.05 -0.38 0.13 -1.64 0.02 0.00 0.00 175.30 173.48 2dbk s MET 48 N 1.28 2.95 0.81 3.54 -1.94 -1.26 -1.98 119.30 122.70 2dbk s MET 48 Ca -0.00 -0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 52.89 2dbk s MET 48 Cb -0.16 -3.52 0.08 0.00 2.01 0.00 0.00 34.83 33.23 2dbk s MET 48 CO -0.06 -0.56 1.10 -0.80 -0.01 0.00 0.00 175.02 174.69 2dbk s ASN 49 N 1.51 4.41 -0.10 3.03 0.01 -1.21 -5.01 114.94 117.58 2dbk s ASN 49 Ca 0.02 1.23 -0.28 0.00 -0.71 0.00 0.00 52.86 53.12 2dbk s ASN 49 Cb -0.18 -1.94 -0.24 0.00 0.41 0.00 0.00 41.25 39.29 2dbk s ASN 49 CO 0.04 -2.01 0.93 0.40 -1.51 0.00 0.00 177.10 174.95 2dbk h ILE 50 N -1.12 1.66 -0.80 0.60 5.03 -1.99 -3.33 117.51 117.56 2dbk h ILE 50 Ca -0.47 -1.99 0.15 0.00 -0.12 0.00 0.00 64.86 62.42 2dbk h ILE 50 Cb 1.28 3.01 -0.15 0.00 -3.03 0.00 0.00 36.82 37.93 2dbk h ILE 50 CO 0.60 0.52 -0.23 -0.46 -0.68 0.00 0.00 178.15 177.90 2dbk n ASN 51 N -4.66 -0.35 0.00 1.72 0.23 -1.26 -4.79 115.26 106.15 2dbk n ASN 51 Ca -0.10 1.39 0.00 0.00 -0.53 0.00 0.00 54.58 55.34 2dbk n ASN 51 Cb 0.42 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2dbk n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dbk n GLY 52 N -1.47 2.98 3.77 4.83 0.00 -1.25 -5.11 105.19 108.95 2dbk n GLY 52 Ca 0.12 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 4.52 0.32 1.61 -2.07 -1.26 -3.65 119.66 119.13 2dbk s GLN 53 Ca 0.00 1.49 0.07 0.00 -1.82 0.00 0.00 55.36 55.10 2dbk s GLN 53 Cb 0.00 -2.87 -0.06 0.00 -1.09 0.00 0.00 33.01 28.99 2dbk s GLN 53 CO 0.00 0.19 -0.04 -1.58 -1.32 0.00 0.00 175.29 172.54 2dbk s TRP 54 N -1.48 2.14 -0.19 9.60 0.51 -0.21 -3.31 118.94 126.00 2dbk s TRP 54 Ca 0.50 -0.70 -0.06 0.00 -2.12 0.00 0.00 56.10 53.72 2dbk s TRP 54 Cb -0.23 -1.30 -0.03 0.00 -0.81 0.00 0.00 33.47 31.09 2dbk s TRP 54 CO 0.29 0.32 0.04 -2.00 -0.51 0.00 0.00 176.95 175.09 2dbk s GLU 55 N -3.73 3.79 0.08 4.98 2.12 -0.84 -0.91 118.70 124.20 2dbk s GLU 55 Ca 0.32 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.23 2dbk s GLU 55 Cb 0.05 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2dbk s GLU 55 CO 0.14 0.12 -0.06 0.20 -0.54 0.00 0.00 175.26 175.13 2dbk s GLY 56 N 0.75 0.67 -0.24 -1.50 0.00 -1.19 -2.95 107.32 102.87 2dbk s GLY 56 Ca 0.02 -1.24 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 2dbk s GLY 56 CO 0.02 -1.34 -0.02 1.85 0.00 0.00 0.00 173.10 173.61 2dbk s GLU 57 N -3.53 3.24 0.31 2.90 2.12 0.97 -3.53 118.70 121.19 2dbk s GLU 57 Ca 0.08 -0.72 0.10 0.00 0.36 0.00 0.00 54.97 54.79 2dbk s GLU 57 Cb 0.04 -3.07 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 2dbk s GLU 57 CO -0.05 -0.27 -0.12 0.08 -0.54 0.00 0.00 175.26 174.35 2dbk s VAL 58 N 1.46 2.44 -0.68 3.70 1.01 0.78 -3.30 120.40 125.79 2dbk s VAL 58 Ca 0.04 -2.25 -0.20 0.00 0.00 0.00 0.00 61.98 59.57 2dbk s VAL 58 Cb -0.15 -2.53 -0.16 0.00 0.00 0.00 0.00 36.38 33.54 2dbk s VAL 58 CO -0.02 -0.29 1.82 -0.46 0.00 0.00 0.00 175.10 176.14 2dbk n ASN 59 N -0.74 0.11 -3.78 3.32 0.23 -1.26 0.15 115.26 113.28 2dbk n ASN 59 Ca -0.05 0.08 -0.23 0.00 -0.53 0.00 0.00 54.58 53.85 2dbk n ASN 59 Cb 0.62 -0.61 0.02 0.00 -2.08 0.00 0.00 39.78 37.73 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 4.40 -0.29 3.54 4.83 0.00 -1.26 -4.98 105.19 111.43 2dbk n GLY 60 Ca 0.45 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 -6.17 0.61 -0.31 1.61 0.52 0.39 -5.12 118.95 110.48 2dbk s ARG 61 Ca 0.07 1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 56.41 2dbk s ARG 61 Cb -0.03 0.19 0.11 0.00 0.52 0.00 0.00 34.95 35.73 2dbk s ARG 61 CO 0.83 -0.16 0.13 0.15 0.02 0.00 0.00 175.30 176.26 2dbk s LYS 62 N 1.76 0.56 0.27 3.54 1.02 -1.26 -0.16 119.74 125.48 2dbk s LYS 62 Ca -0.09 -0.97 -0.15 0.00 0.02 0.00 0.00 55.97 54.78 2dbk s LYS 62 Cb -0.07 -1.69 0.01 0.00 -0.52 0.00 0.00 37.83 35.56 2dbk s LYS 62 CO -0.18 -1.03 0.56 0.20 -0.92 0.00 0.00 175.35 173.98 2dbk s GLY 63 N 1.66 0.41 0.19 -3.33 0.00 -1.23 -4.86 107.32 100.16 2dbk s GLY 63 Ca 0.11 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.92 2dbk s GLY 63 CO -0.26 -0.49 0.61 1.08 0.00 0.00 0.00 173.10 174.04 2dbk s LEU 64 N -3.01 4.29 0.01 0.66 1.43 -0.42 -3.14 118.68 118.50 2dbk s LEU 64 Ca 0.19 1.16 -0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2dbk s LEU 64 Cb -0.02 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 2dbk s LEU 64 CO 0.09 0.04 -0.01 0.72 0.23 0.00 0.00 176.35 177.42 2dbk s PHE 65 N -1.57 0.11 0.82 0.29 -0.12 -0.08 -2.41 117.98 115.02 2dbk s PHE 65 Ca 0.42 -0.22 -0.11 0.00 -0.05 0.00 0.00 56.93 56.97 2dbk s PHE 65 Cb -0.14 -0.08 0.09 0.00 -0.63 0.00 0.00 43.02 42.25 2dbk s PHE 65 CO 0.20 -0.09 1.09 -1.25 -0.05 0.00 0.00 175.22 175.12 2dbk s PRO 66 N -0.66 1.85 0.00 1.99 0.04 -1.26 -1.04 135.00 135.91 2dbk s PRO 66 Ca -0.07 1.03 0.27 0.00 0.04 0.00 0.00 61.00 62.26 2dbk s PRO 66 Cb -0.05 -1.86 0.79 0.00 0.04 0.00 0.00 34.50 33.42 2dbk s PRO 66 CO -0.00 -1.89 1.60 1.97 0.04 0.00 0.00 177.00 178.71 2dbk n PHE 67 N -3.67 0.00 0.32 0.56 1.16 -1.24 -3.54 117.46 111.05 2dbk n PHE 67 Ca 0.08 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.76 2dbk n PHE 67 Cb 0.54 -0.25 0.26 0.00 -1.61 0.00 0.00 39.48 38.41 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 -1.24 0.67 -0.05 1.97 -2.24 -1.26 -4.14 114.28 108.00 2dbk n THR 68 Ca 0.09 -0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2dbk n THR 68 Cb 0.33 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 2dbk n THR 68 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2dbk n HIS 69 N 1.11 0.00 -4.09 4.78 8.25 -1.23 -5.03 115.22 119.01 2dbk n HIS 69 Ca 0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.35 2dbk n HIS 69 Cb 0.48 -0.39 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.20 4.26 -0.15 1.59 -7.23 -1.25 -3.35 120.40 112.07 2dbk s VAL 70 Ca -0.11 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2dbk s VAL 70 Cb 0.03 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2dbk s VAL 70 CO 0.27 0.09 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.32 2dbk s LYS 71 N -2.44 3.53 -0.87 4.82 2.20 -1.00 -4.88 119.74 121.11 2dbk s LYS 71 Ca 0.28 -0.60 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 2dbk s LYS 71 Cb -0.12 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 2dbk s LYS 71 CO 0.20 0.20 1.89 0.42 -0.36 0.00 0.00 175.35 177.70 2dbk s ILE 72 N 0.44 3.47 -0.12 5.43 -1.09 -1.26 -3.22 121.20 124.84 2dbk s ILE 72 Ca -0.06 -0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 57.98 2dbk s ILE 72 Cb -0.15 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 2dbk s ILE 72 CO 0.04 -1.03 0.12 0.72 -1.23 0.00 0.00 174.94 173.57 2dbk s PHE 73 N 9.51 3.54 -0.10 3.97 -0.71 -1.26 -5.06 117.98 127.88 2dbk s PHE 73 Ca 0.67 0.48 -0.30 0.00 -1.04 0.00 0.00 56.93 56.74 2dbk s PHE 73 Cb -0.07 -1.94 -0.03 0.00 -1.21 0.00 0.00 43.02 39.77 2dbk s PHE 73 CO 0.02 0.67 1.22 0.16 -1.34 0.00 0.00 175.22 175.95 2dbk s ASP 74 N -0.89 7.01 0.00 1.98 -4.77 -1.26 -4.78 116.67 113.96 2dbk s ASP 74 Ca 0.14 1.76 0.15 0.00 -3.30 0.00 0.00 52.55 51.30 2dbk s ASP 74 Cb -0.12 -2.55 0.74 0.00 -1.09 0.00 0.00 42.92 39.90 2dbk s ASP 74 CO 0.03 -0.65 1.41 -0.81 0.70 0.00 0.00 175.17 175.85 2dbk n PRO 75 N 5.73 0.20 -1.50 2.11 -0.04 -1.26 -3.27 135.00 136.98 2dbk n PRO 75 Ca 0.12 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.39 2dbk n PRO 75 Cb 0.46 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2dbk n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dbk n GLN 76 N -1.29 2.59 -0.95 0.54 10.64 -1.26 -4.98 117.38 122.67 2dbk n GLN 76 Ca 0.07 -3.10 -0.21 0.00 -1.83 0.00 0.00 57.00 51.93 2dbk n GLN 76 Cb 0.12 -2.20 -0.12 0.00 -0.86 0.00 0.00 30.24 27.19 2dbk n GLN 76 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2dbk n ASN 77 N -0.49 -0.26 0.00 2.61 5.03 -1.20 -4.67 115.26 116.28 2dbk n ASN 77 Ca 0.55 -0.07 0.07 0.00 0.87 0.00 0.00 54.58 56.01 2dbk n ASN 77 Cb 0.49 -0.49 0.38 0.00 -1.02 0.00 0.00 39.78 39.15 2dbk n ASN 77 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2dbk n PRO 78 N 4.64 0.23 -1.41 3.52 -0.04 -1.26 -4.86 135.00 135.82 2dbk n PRO 78 Ca 0.42 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 2dbk n PRO 78 Cb 0.05 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2dbk n PRO 78 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dbk n ASP 79 N -1.26 -1.37 -4.20 3.54 -0.08 -1.26 -4.92 116.55 107.00 2dbk n ASP 79 Ca 0.07 0.91 -0.40 0.00 -1.51 0.00 0.00 54.79 53.86 2dbk n ASP 79 Cb 0.11 -1.04 -0.09 0.00 2.34 0.00 0.00 41.12 42.44 2dbk n ASP 79 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2dbk s GLU 80 N -1.37 2.46 -0.48 -0.67 2.12 -1.26 -4.93 118.70 114.58 2dbk s GLU 80 Ca 0.62 -1.84 0.03 0.00 0.36 0.00 0.00 54.97 54.14 2dbk s GLU 80 Cb -0.65 -3.89 0.44 0.00 0.26 0.00 0.00 34.13 30.29 2dbk s GLU 80 CO 0.59 -1.18 1.50 -1.71 -0.54 0.00 0.00 175.26 173.92 2dbk n ASN 81 N 4.76 5.95 -2.32 -1.70 2.85 -1.26 -4.67 115.26 118.86 2dbk n ASN 81 Ca -0.06 -3.77 -0.20 0.00 -0.11 0.00 0.00 54.58 50.45 2dbk n ASN 81 Cb 0.41 -0.61 0.02 0.00 1.24 0.00 0.00 39.78 40.84 2dbk n ASN 81 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2dbk n GLU 82 N -0.72 3.06 -1.67 1.20 -0.58 -1.26 -5.07 120.64 115.60 2dbk n GLU 82 Ca 0.50 -4.08 -0.59 0.00 -0.42 0.00 0.00 57.16 52.57 2dbk n GLU 82 Cb 0.76 -2.08 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 2dbk n GLU 82 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2dbk n SER 83 N -0.58 2.12 0.00 1.62 7.64 -1.26 -4.54 113.62 118.62 2dbk n SER 83 Ca 0.34 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2dbk n SER 83 Cb 0.85 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 4.54 -2.04 0.00 0.23 0.00 -1.26 -4.94 105.19 101.72 2dbk n GLY 84 Ca 0.30 0.61 0.07 0.00 0.00 0.00 0.00 46.02 47.00 2dbk n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbk n PRO 85 N -1.42 0.18 -1.20 1.61 -0.04 -1.26 -4.82 135.00 128.05 2dbk n PRO 85 Ca 0.00 0.16 -0.34 0.00 -0.04 0.00 0.00 63.50 63.28 2dbk n PRO 85 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 2dbk n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dbk s SER 86 N -2.63 3.71 1.20 3.54 1.04 -1.26 -4.97 113.70 114.33 2dbk s SER 86 Ca 0.13 2.42 -0.18 0.00 0.48 0.00 0.00 55.95 58.80 2dbk s SER 86 Cb 0.10 -2.59 0.24 0.00 0.10 0.00 0.00 66.02 63.86 2dbk s SER 86 CO 0.23 -2.59 0.51 -1.54 0.98 0.00 0.00 173.24 170.83 2dbk n SER 87 N -3.10 -3.07 0.00 7.02 3.41 -1.26 -5.18 113.62 111.43 2dbk n SER 87 Ca 0.14 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2dbk n SER 87 Cb 0.50 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2dbk n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49