#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 5.30 -0.13 1.61 0.01 -1.26 -5.08 113.70 114.15 2dbk s SER 2 Ca 0.00 1.58 -0.09 0.00 1.31 0.00 0.00 55.95 58.75 2dbk s SER 2 Cb 0.00 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.83 2dbk s SER 2 CO 0.00 -1.49 0.34 -0.55 0.41 0.00 0.00 173.24 171.95 2dbk s SER 3 N -3.81 -0.38 -0.26 2.44 0.15 -1.26 -5.14 113.70 105.44 2dbk s SER 3 Ca 0.58 0.71 -0.05 0.00 0.70 0.00 0.00 55.95 57.89 2dbk s SER 3 Cb -0.14 0.65 0.14 0.00 -1.71 0.00 0.00 66.02 64.95 2dbk s SER 3 CO 0.55 -0.15 0.50 -0.83 1.20 0.00 0.00 173.24 174.51 2dbk s GLY 4 N 0.79 -0.62 0.09 9.45 0.00 -1.26 -5.16 107.32 110.61 2dbk s GLY 4 Ca -0.05 1.62 0.04 0.00 0.00 0.00 0.00 44.72 46.33 2dbk s GLY 4 CO -0.06 2.86 -0.11 -1.35 0.00 0.00 0.00 173.10 174.45 2dbk s SER 5 N 2.72 1.47 0.50 1.64 1.04 -1.26 -5.17 113.70 114.65 2dbk s SER 5 Ca 0.07 -0.78 0.09 0.00 0.48 0.00 0.00 55.95 55.81 2dbk s SER 5 Cb -0.14 -0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.03 2dbk s SER 5 CO -0.17 -0.23 0.69 -0.44 0.98 0.00 0.00 173.24 174.07 2dbk s SER 6 N -2.33 5.36 0.00 7.02 0.01 -1.26 -4.96 113.70 117.54 2dbk s SER 6 Ca 0.04 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dbk s SER 6 Cb -0.04 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2dbk s SER 6 CO 0.00 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2dbk n GLY 7 N -2.06 0.97 2.11 3.44 0.00 -1.26 -5.14 105.19 103.25 2dbk n GLY 7 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2dbk n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbk n PRO 8 N 0.00 -2.32 -2.08 1.61 -0.04 -1.26 -4.98 135.00 125.93 2dbk n PRO 8 Ca 0.00 -1.05 -0.39 0.00 -0.04 0.00 0.00 63.50 62.02 2dbk n PRO 8 Cb 0.00 -0.99 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2dbk n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dbk s LEU 9 N 0.00 4.12 -0.81 1.53 2.01 -1.26 -4.90 118.68 119.37 2dbk s LEU 9 Ca 0.43 2.57 -0.25 0.00 0.01 0.00 0.00 54.13 56.89 2dbk s LEU 9 Cb -0.04 -4.03 -0.04 0.00 0.01 0.00 0.00 46.19 42.08 2dbk s LEU 9 CO 0.33 -0.95 1.92 -2.16 1.01 0.00 0.00 176.35 176.51 2dbk s PRO 10 N -2.43 2.57 -0.24 1.29 0.04 -1.26 -4.89 135.00 130.08 2dbk s PRO 10 Ca 0.60 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.54 2dbk s PRO 10 Cb -0.36 -4.86 0.10 0.00 0.04 0.00 0.00 34.50 29.43 2dbk s PRO 10 CO 0.45 -3.19 0.53 -1.12 0.04 0.00 0.00 177.00 173.70 2dbk s SER 11 N 8.08 -0.67 -0.24 6.66 0.01 -1.26 -5.14 113.70 121.14 2dbk s SER 11 Ca 0.69 1.25 0.02 0.00 1.31 0.00 0.00 55.95 59.23 2dbk s SER 11 Cb -0.08 1.72 0.05 0.00 0.21 0.00 0.00 66.02 67.91 2dbk s SER 11 CO 0.06 -0.23 -0.12 -0.89 0.41 0.00 0.00 173.24 172.47 2dbk s THR 12 N 2.63 2.21 0.01 1.44 2.01 -1.26 -5.00 115.64 117.69 2dbk s THR 12 Ca -0.04 -1.44 -0.22 0.00 0.31 0.00 0.00 61.69 60.30 2dbk s THR 12 Cb -0.12 -2.21 -0.17 0.00 0.01 0.00 0.00 72.50 70.01 2dbk s THR 12 CO -0.16 0.11 1.29 1.56 -0.69 0.00 0.00 174.62 176.73 2dbk h GLN 13 N 7.83 0.23 -2.44 4.92 7.50 -2.00 -3.45 115.11 127.71 2dbk h GLN 13 Ca -0.26 -0.13 -0.07 0.00 0.50 0.00 0.00 58.65 58.68 2dbk h GLN 13 Cb 1.07 0.01 -0.24 0.00 0.05 0.00 0.00 27.48 28.36 2dbk h GLN 13 CO 0.51 0.68 -0.18 -0.80 -1.50 0.00 0.00 178.83 177.54 2dbk s ASN 14 N -6.02 -0.65 0.31 1.46 -0.87 -1.26 -5.17 114.94 102.74 2dbk s ASN 14 Ca -0.15 1.09 0.06 0.00 -1.57 0.00 0.00 52.86 52.29 2dbk s ASN 14 Cb 0.04 0.99 -0.03 0.00 -0.02 0.00 0.00 41.25 42.22 2dbk s ASN 14 CO 0.73 -0.20 0.25 -0.83 -2.57 0.00 0.00 177.10 174.47 2dbk s GLY 15 N 1.31 2.16 0.68 0.66 0.00 -1.26 -5.10 107.32 105.78 2dbk s GLY 15 Ca -0.08 -1.99 -0.14 0.00 0.00 0.00 0.00 44.72 42.51 2dbk s GLY 15 CO -0.13 -1.47 1.11 2.56 0.00 0.00 0.00 173.10 175.17 2dbk s PRO 16 N -3.60 2.70 -0.24 2.90 0.04 -1.26 -5.01 135.00 130.53 2dbk s PRO 16 Ca 0.40 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 2dbk s PRO 16 Cb 0.03 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2dbk s PRO 16 CO 0.24 -1.33 0.45 0.08 0.04 0.00 0.00 177.00 176.49 2dbk s VAL 17 N -2.44 5.13 0.10 -0.36 1.01 -1.24 -5.04 120.40 117.56 2dbk s VAL 17 Ca 0.66 0.77 0.01 0.00 0.00 0.00 0.00 61.98 63.42 2dbk s VAL 17 Cb -0.20 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2dbk s VAL 17 CO 0.44 0.16 0.22 -0.36 0.00 0.00 0.00 175.10 175.56 2dbk s PHE 18 N 1.90 3.46 -0.30 5.22 0.08 -1.26 -3.29 117.98 123.79 2dbk s PHE 18 Ca 0.19 0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.32 2dbk s PHE 18 Cb -0.15 -1.70 0.15 0.00 -0.57 0.00 0.00 43.02 40.75 2dbk s PHE 18 CO 0.09 0.55 0.73 0.00 -0.10 0.00 0.00 175.22 176.49 2dbk s ALA 19 N -1.60 -2.28 0.21 5.36 0.00 -1.22 -3.73 121.76 118.50 2dbk s ALA 19 Ca 0.34 2.17 -0.22 0.00 0.00 0.00 0.00 51.96 54.24 2dbk s ALA 19 Cb -0.12 -1.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.99 2dbk s ALA 19 CO 0.27 -1.02 0.76 -1.59 0.00 0.00 0.00 175.76 174.18 2dbk s LYS 20 N 2.80 4.40 -0.41 0.00 -2.85 -1.21 -1.76 119.74 120.70 2dbk s LYS 20 Ca -0.01 1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 55.69 2dbk s LYS 20 Cb -0.11 -3.01 0.01 0.00 -2.06 0.00 0.00 37.83 32.67 2dbk s LYS 20 CO -0.19 0.45 1.32 0.00 0.10 0.00 0.00 175.35 177.02 2dbk s ALA 21 N -1.40 3.13 0.08 0.59 0.00 0.55 -2.64 121.76 122.06 2dbk s ALA 21 Ca 0.41 -0.20 0.12 0.00 0.00 0.00 0.00 51.96 52.29 2dbk s ALA 21 Cb -0.19 -3.90 0.14 0.00 0.00 0.00 0.00 23.12 19.17 2dbk s ALA 21 CO 0.23 -2.25 1.47 -0.84 0.00 0.00 0.00 175.76 174.37 2dbk h ILE 22 N 6.31 1.27 -2.04 0.00 3.07 -1.89 -0.47 117.51 123.77 2dbk h ILE 22 Ca -0.26 -2.49 -0.58 0.00 1.55 0.00 0.00 64.86 63.07 2dbk h ILE 22 Cb 1.09 2.43 -0.11 0.00 -0.27 0.00 0.00 36.82 39.96 2dbk h ILE 22 CO 1.09 0.66 -0.65 -1.10 -1.05 0.00 0.00 178.15 177.10 2dbk s GLN 23 N -3.11 2.06 0.20 0.16 -1.52 -1.22 -4.77 119.66 111.46 2dbk s GLN 23 Ca 0.01 -1.67 -0.30 0.00 -1.95 0.00 0.00 55.36 51.45 2dbk s GLN 23 Cb 0.10 -1.96 -0.08 0.00 -0.22 0.00 0.00 33.01 30.85 2dbk s GLN 23 CO 0.76 0.23 1.11 0.21 -0.25 0.00 0.00 175.29 177.34 2dbk s LYS 24 N -3.67 4.60 -0.24 2.91 2.20 -1.26 -4.14 119.74 120.14 2dbk s LYS 24 Ca 0.33 1.74 -0.07 0.00 -0.36 0.00 0.00 55.97 57.62 2dbk s LYS 24 Cb -0.02 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 2dbk s LYS 24 CO 0.19 0.09 0.05 1.03 -0.36 0.00 0.00 175.35 176.34 2dbk s ARG 25 N -0.54 3.61 -0.40 4.03 1.81 -0.52 -4.98 118.95 121.96 2dbk s ARG 25 Ca 0.49 -0.50 0.02 0.00 -1.72 0.00 0.00 55.73 54.01 2dbk s ARG 25 Cb -0.30 -3.25 0.12 0.00 -0.45 0.00 0.00 34.95 31.08 2dbk s ARG 25 CO 0.36 -0.16 0.19 0.08 -0.68 0.00 0.00 175.30 175.09 2dbk s VAL 26 N 1.52 1.39 0.09 3.52 1.01 -1.26 -3.31 120.40 123.36 2dbk s VAL 26 Ca 0.06 -2.30 -0.31 0.00 0.00 0.00 0.00 61.98 59.43 2dbk s VAL 26 Cb -0.15 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2dbk s VAL 26 CO 0.02 -0.82 1.37 -2.16 0.00 0.00 0.00 175.10 173.52 2dbk s PRO 27 N 0.67 4.33 1.19 2.72 0.04 -1.26 -5.00 135.00 137.68 2dbk s PRO 27 Ca 0.15 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 2dbk s PRO 27 Cb -0.23 -3.30 0.24 0.00 0.04 0.00 0.00 34.50 31.25 2dbk s PRO 27 CO -0.06 -0.44 0.62 0.00 0.04 0.00 0.00 177.00 177.16 2dbk h ALA 29 N -2.60 -0.44 -0.40 0.00 0.00 -2.02 -3.13 119.26 110.68 2dbk h ALA 29 Ca -0.58 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.20 2dbk h ALA 29 Cb 1.33 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2dbk h ALA 29 CO 0.43 -0.55 0.27 0.10 0.00 0.00 0.00 179.25 179.50 2dbk h TYR 30 N -0.82 0.31 -2.48 0.00 -0.00 -2.04 -3.40 116.97 108.54 2dbk h TYR 30 Ca -0.04 0.01 -0.57 0.00 0.00 0.00 0.00 58.73 58.12 2dbk h TYR 30 Cb 0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 37.12 2dbk h TYR 30 CO 0.03 0.17 1.33 -0.51 -0.00 0.00 0.00 178.16 179.17 2dbk s ASP 31 N -6.56 5.73 -0.01 0.10 1.01 -1.18 -4.80 116.67 110.95 2dbk s ASP 31 Ca -0.07 1.31 0.20 0.00 0.71 0.00 0.00 52.55 54.70 2dbk s ASP 31 Cb 0.18 -2.52 -0.25 0.00 1.01 0.00 0.00 42.92 41.34 2dbk s ASP 31 CO 0.72 -1.84 0.74 1.17 0.21 0.00 0.00 175.17 176.18 2dbk n LYS 32 N 8.55 0.39 0.00 8.23 4.81 -1.26 -4.24 118.16 134.65 2dbk n LYS 32 Ca 0.24 -0.06 0.08 0.00 -0.87 0.00 0.00 58.31 57.71 2dbk n LYS 32 Cb 0.47 -1.47 -0.09 0.00 0.02 0.00 0.00 35.03 33.97 2dbk n LYS 32 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2dbk n THR 33 N -1.70 0.00 -2.27 3.15 -2.24 -1.26 -4.93 114.28 105.03 2dbk n THR 33 Ca 0.02 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 2dbk n THR 33 Cb 0.38 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.58 3.33 0.12 6.98 0.00 -1.26 0.10 121.76 128.45 2dbk s ALA 34 Ca 0.08 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 2dbk s ALA 34 Cb 0.14 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 2dbk s ALA 34 CO 0.68 -1.84 1.08 -1.17 0.00 0.00 0.00 175.76 174.52 2dbk s LEU 35 N 4.74 4.45 -0.11 0.00 0.20 -1.21 -4.74 118.68 122.01 2dbk s LEU 35 Ca 0.64 1.98 -0.13 0.00 0.69 0.00 0.00 54.13 57.31 2dbk s LEU 35 Cb -0.21 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.91 2dbk s LEU 35 CO 0.26 -0.25 0.30 0.00 -0.29 0.00 0.00 176.35 176.36 2dbk s ALA 36 N 0.21 3.67 0.16 5.97 0.00 -1.26 -4.65 121.76 125.85 2dbk s ALA 36 Ca 0.51 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2dbk s ALA 36 Cb -0.27 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2dbk s ALA 36 CO 0.32 0.28 0.18 -0.51 0.00 0.00 0.00 175.76 176.03 2dbk s LEU 37 N -0.17 1.29 0.08 0.00 1.43 -1.21 -5.02 118.68 115.08 2dbk s LEU 37 Ca 0.18 -1.07 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2dbk s LEU 37 Cb -0.14 0.76 -0.03 0.00 0.03 0.00 0.00 46.19 46.81 2dbk s LEU 37 CO 0.06 -0.83 -0.22 -1.61 0.23 0.00 0.00 176.35 173.98 2dbk s GLU 38 N -4.02 1.33 -0.51 1.70 8.01 -1.26 -1.44 118.70 122.50 2dbk s GLU 38 Ca 0.22 -1.11 -0.35 0.00 0.01 0.00 0.00 54.97 53.74 2dbk s GLU 38 Cb 0.05 -1.57 -0.14 0.00 -4.31 0.00 0.00 34.13 28.16 2dbk s GLU 38 CO 0.02 0.38 2.30 0.28 0.01 0.00 0.00 175.26 178.26 2dbk n VAL 39 N 1.39 0.08 0.00 2.63 0.31 -1.26 -1.67 118.33 119.81 2dbk n VAL 39 Ca -0.18 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2dbk n VAL 39 Cb 0.53 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 6.67 1.51 3.36 2.92 0.00 -0.18 -5.04 105.19 114.42 2dbk n GLY 40 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 3.43 -0.14 1.61 -1.08 -0.67 -4.91 116.67 112.90 2dbk s ASP 41 Ca 0.00 -0.38 -0.22 0.00 -0.52 0.00 0.00 52.55 51.43 2dbk s ASP 41 Cb 0.00 -0.66 -0.03 0.00 -1.46 0.00 0.00 42.92 40.77 2dbk s ASP 41 CO 0.00 0.31 0.65 -0.63 0.52 0.00 0.00 175.17 176.02 2dbk s ILE 42 N -0.52 5.04 -0.39 4.11 -1.09 -1.26 -0.33 121.20 126.75 2dbk s ILE 42 Ca 0.07 1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 59.73 2dbk s ILE 42 Cb -0.11 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2dbk s ILE 42 CO 0.01 0.18 0.18 -0.69 -1.23 0.00 0.00 174.94 173.39 2dbk s VAL 43 N 1.35 3.49 -0.51 2.92 1.01 -0.72 -4.80 120.40 123.14 2dbk s VAL 43 Ca 0.32 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 2dbk s VAL 43 Cb -0.16 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2dbk s VAL 43 CO 0.13 -0.54 1.00 -0.75 0.00 0.00 0.00 175.10 174.94 2dbk s LYS 44 N 1.24 3.49 -0.12 2.72 2.20 -1.23 -3.42 119.74 124.63 2dbk s LYS 44 Ca 0.04 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.73 2dbk s LYS 44 Cb -0.22 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2dbk s LYS 44 CO -0.02 -1.39 -0.00 0.54 -0.36 0.00 0.00 175.35 174.12 2dbk s VAL 45 N 4.08 4.25 -0.06 4.02 0.11 -1.21 -1.71 120.40 129.88 2dbk s VAL 45 Ca 0.37 -0.25 0.13 0.00 -2.93 0.00 0.00 61.98 59.30 2dbk s VAL 45 Cb -0.10 -2.83 -0.20 0.00 -1.53 0.00 0.00 36.38 31.73 2dbk s VAL 45 CO 0.25 0.55 0.21 0.35 -3.33 0.00 0.00 175.10 173.13 2dbk n THR 46 N 2.75 0.31 -3.97 5.04 -2.24 -1.11 -3.66 114.28 111.38 2dbk n THR 46 Ca -0.18 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 2dbk n THR 46 Cb 0.53 -0.11 -0.17 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.73 1.99 -0.40 -0.78 0.52 -1.24 -5.01 118.95 111.30 2dbk s ARG 47 Ca -0.05 -0.47 -0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2dbk s ARG 47 Cb 0.07 -1.94 0.09 0.00 0.52 0.00 0.00 34.95 33.69 2dbk s ARG 47 CO 0.56 -0.26 0.20 -1.64 0.02 0.00 0.00 175.30 174.17 2dbk s MET 48 N 1.56 2.27 0.72 3.54 -1.94 -1.26 -1.10 119.30 123.09 2dbk s MET 48 Ca 0.05 -1.63 -0.15 0.00 -1.71 0.00 0.00 55.69 52.25 2dbk s MET 48 Cb -0.13 -3.60 0.03 0.00 2.01 0.00 0.00 34.83 33.14 2dbk s MET 48 CO -0.10 -0.98 1.17 -0.80 -0.01 0.00 0.00 175.02 174.31 2dbk s ASN 49 N 1.88 4.43 0.09 3.03 0.01 -1.24 -4.95 114.94 118.18 2dbk s ASN 49 Ca 0.04 2.23 -0.17 0.00 -0.71 0.00 0.00 52.86 54.26 2dbk s ASN 49 Cb -0.23 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 38.78 2dbk s ASN 49 CO -0.02 -2.10 1.46 0.40 -1.51 0.00 0.00 177.10 175.33 2dbk h ILE 50 N -0.27 1.29 -0.93 0.60 5.03 -1.99 -3.23 117.51 118.02 2dbk h ILE 50 Ca -0.47 -1.19 0.14 0.00 -0.12 0.00 0.00 64.86 63.22 2dbk h ILE 50 Cb 1.28 1.49 -0.15 0.00 -3.03 0.00 0.00 36.82 36.41 2dbk h ILE 50 CO 0.51 0.38 -0.40 -1.13 -0.68 0.00 0.00 178.15 176.82 2dbk h ASN 51 N 0.31 -1.47 0.00 1.72 -1.24 -2.05 -3.46 115.58 109.39 2dbk h ASN 51 Ca 0.06 0.30 0.00 0.00 0.71 0.00 0.00 56.30 57.37 2dbk h ASN 51 Cb 0.62 0.75 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2dbk h ASN 51 CO 0.04 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.50 2dbk n GLY 52 N -1.45 1.59 3.71 1.57 0.00 -1.22 -5.12 105.19 104.27 2dbk n GLY 52 Ca 0.08 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.37 0.47 1.61 -2.07 -1.26 -4.55 119.66 118.22 2dbk s GLN 53 Ca 0.00 1.90 0.08 0.00 -1.82 0.00 0.00 55.36 55.52 2dbk s GLN 53 Cb 0.00 -3.33 0.02 0.00 -1.09 0.00 0.00 33.01 28.61 2dbk s GLN 53 CO 0.00 -0.36 0.52 -1.58 -1.32 0.00 0.00 175.29 172.55 2dbk s TRP 54 N 1.21 2.33 -0.26 9.60 0.51 -1.21 -3.65 118.94 127.47 2dbk s TRP 54 Ca 0.61 -0.56 -0.01 0.00 -2.12 0.00 0.00 56.10 54.02 2dbk s TRP 54 Cb -0.32 -2.21 0.04 0.00 -0.81 0.00 0.00 33.47 30.17 2dbk s TRP 54 CO 0.29 -0.46 -0.05 -2.00 -0.51 0.00 0.00 176.95 174.22 2dbk s GLU 55 N -4.32 2.65 0.12 4.98 2.12 -0.26 -3.47 118.70 120.51 2dbk s GLU 55 Ca 0.51 -1.10 0.01 0.00 0.36 0.00 0.00 54.97 54.75 2dbk s GLU 55 Cb -0.06 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 2dbk s GLU 55 CO 0.31 -0.48 -0.03 0.20 -0.54 0.00 0.00 175.26 174.71 2dbk s GLY 56 N 1.28 0.88 -0.05 -1.50 0.00 -1.25 -2.75 107.32 103.93 2dbk s GLY 56 Ca -0.02 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.31 2dbk s GLY 56 CO -0.04 -1.45 -0.09 1.85 0.00 0.00 0.00 173.10 173.37 2dbk s GLU 57 N -3.89 2.62 -0.16 2.90 2.12 -0.69 -3.19 118.70 118.42 2dbk s GLU 57 Ca 0.16 -0.63 -0.11 0.00 0.36 0.00 0.00 54.97 54.75 2dbk s GLU 57 Cb 0.06 -2.50 0.05 0.00 0.26 0.00 0.00 34.13 32.00 2dbk s GLU 57 CO -0.02 0.64 0.40 0.08 -0.54 0.00 0.00 175.26 175.81 2dbk s VAL 58 N -0.83 -0.02 -1.77 3.70 1.01 0.93 -3.50 120.40 119.92 2dbk s VAL 58 Ca 0.13 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.98 2dbk s VAL 58 Cb -0.11 -0.58 0.18 0.00 0.00 0.00 0.00 36.38 35.87 2dbk s VAL 58 CO 0.03 0.03 0.64 0.59 0.00 0.00 0.00 175.10 176.38 2dbk n ASN 59 N 3.77 -2.25 -2.33 3.32 3.02 -1.26 0.20 115.26 119.73 2dbk n ASN 59 Ca -0.20 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.09 2dbk n ASN 59 Cb 0.56 -2.17 0.05 0.00 -0.61 0.00 0.00 39.78 37.61 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 -1.34 0.06 3.16 7.41 0.00 -1.26 -5.04 105.19 108.18 2dbk n GLY 60 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.48 0.29 -0.20 1.61 0.52 0.13 -5.14 118.95 110.67 2dbk s ARG 61 Ca 0.24 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 56.14 2dbk s ARG 61 Cb -0.11 -0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.33 2dbk s ARG 61 CO 0.42 -0.18 -0.13 0.15 0.02 0.00 0.00 175.30 175.58 2dbk s LYS 62 N 1.50 3.06 0.25 3.54 1.02 -1.26 -0.05 119.74 127.81 2dbk s LYS 62 Ca -0.08 -0.80 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 2dbk s LYS 62 Cb -0.10 -2.77 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2dbk s LYS 62 CO -0.11 -0.24 0.50 0.20 -0.92 0.00 0.00 175.35 174.78 2dbk s GLY 63 N 1.35 0.50 -0.23 -3.33 0.00 -1.19 -4.89 107.32 99.52 2dbk s GLY 63 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 44.72 43.69 2dbk s GLY 63 CO -0.09 -0.59 0.76 1.08 0.00 0.00 0.00 173.10 174.26 2dbk s LEU 64 N -3.02 4.09 0.04 0.66 1.43 0.11 -3.85 118.68 118.15 2dbk s LEU 64 Ca 0.22 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.33 2dbk s LEU 64 Cb -0.01 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 2dbk s LEU 64 CO 0.09 -0.44 -0.21 0.72 0.23 0.00 0.00 176.35 176.74 2dbk s PHE 65 N 2.58 1.82 0.82 0.29 -0.71 -1.23 -3.36 117.98 118.19 2dbk s PHE 65 Ca 0.32 -0.37 -0.11 0.00 -1.04 0.00 0.00 56.93 55.73 2dbk s PHE 65 Cb -0.16 -1.09 0.08 0.00 -1.21 0.00 0.00 43.02 40.65 2dbk s PHE 65 CO 0.08 0.09 1.09 -1.25 -1.34 0.00 0.00 175.22 173.89 2dbk s PRO 66 N -1.15 1.91 -0.04 1.99 0.04 -1.26 -3.30 135.00 133.18 2dbk s PRO 66 Ca 0.07 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.21 2dbk s PRO 66 Cb -0.09 -1.87 -0.25 0.00 0.04 0.00 0.00 34.50 32.34 2dbk s PRO 66 CO 0.02 -1.85 0.68 0.27 0.04 0.00 0.00 177.00 176.15 2dbk h PHE 67 N -1.28 0.20 -0.57 0.56 -0.00 -1.89 -3.33 116.94 110.64 2dbk h PHE 67 Ca -0.46 -0.15 0.00 0.00 -0.00 0.00 0.00 57.97 57.37 2dbk h PHE 67 Cb 1.25 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 37.16 2dbk h PHE 67 CO 0.52 1.25 0.35 1.79 -0.00 0.00 0.00 178.31 182.23 2dbk h THR 68 N 0.03 1.15 -0.25 0.88 1.35 -1.96 -2.03 112.91 112.08 2dbk h THR 68 Ca -0.29 -0.32 -0.13 0.00 -0.55 0.00 0.00 66.41 65.12 2dbk h THR 68 Cb 2.00 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 2dbk h THR 68 CO 0.10 0.16 -0.39 0.45 -0.25 0.00 0.00 175.52 175.58 2dbk h HIS 69 N 0.77 0.69 -1.65 4.73 3.86 -1.98 -3.45 115.15 118.13 2dbk h HIS 69 Ca 0.21 -0.20 -0.43 0.00 -1.16 0.00 0.00 60.37 58.79 2dbk h HIS 69 Cb -0.05 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.28 2dbk h HIS 69 CO 0.00 0.89 -0.30 0.14 0.86 0.00 0.00 177.93 179.52 2dbk s VAL 70 N -4.27 3.57 -0.05 2.45 -7.23 -0.76 -3.11 120.40 111.01 2dbk s VAL 70 Ca -0.08 -0.99 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2dbk s VAL 70 Cb 0.12 -3.22 0.03 0.00 0.56 0.00 0.00 36.38 33.87 2dbk s VAL 70 CO 0.83 -0.09 0.00 -0.75 -0.31 0.00 0.00 175.10 174.78 2dbk s LYS 71 N -4.26 0.45 -0.07 4.82 2.20 -1.08 -4.85 119.74 116.94 2dbk s LYS 71 Ca 0.50 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 2dbk s LYS 71 Cb -0.10 -0.70 -0.05 0.00 -1.51 0.00 0.00 37.83 35.47 2dbk s LYS 71 CO 0.32 -0.20 1.64 0.42 -0.36 0.00 0.00 175.35 177.17 2dbk s ILE 72 N 1.44 3.61 -0.03 5.43 -1.09 -1.26 -3.35 121.20 125.95 2dbk s ILE 72 Ca -0.04 0.73 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 2dbk s ILE 72 Cb -0.13 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2dbk s ILE 72 CO -0.03 -0.07 -0.12 0.72 -1.23 0.00 0.00 174.94 174.21 2dbk s PHE 73 N 4.10 1.25 0.21 3.97 -0.12 -1.24 -5.03 117.98 121.11 2dbk s PHE 73 Ca 0.73 -0.33 -0.31 0.00 -0.05 0.00 0.00 56.93 56.97 2dbk s PHE 73 Cb -0.32 -0.86 -0.10 0.00 -0.63 0.00 0.00 43.02 41.10 2dbk s PHE 73 CO 0.29 -0.12 1.47 -0.51 -0.05 0.00 0.00 175.22 176.30 2dbk s ASP 74 N 0.13 6.65 0.14 1.98 1.01 -1.26 -4.73 116.67 120.59 2dbk s ASP 74 Ca -0.03 2.63 -0.11 0.00 0.71 0.00 0.00 52.55 55.75 2dbk s ASP 74 Cb -0.10 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 2dbk s ASP 74 CO 0.01 -0.73 1.48 1.55 0.21 0.00 0.00 175.17 177.68 2dbk h PRO 75 N 5.68 0.94 -6.04 8.23 0.13 -1.99 -3.46 132.00 135.49 2dbk h PRO 75 Ca -0.45 -0.50 -0.45 0.00 -0.87 0.00 0.00 66.00 63.74 2dbk h PRO 75 Cb 1.21 0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 2dbk h PRO 75 CO 0.82 1.15 -0.65 1.04 -0.23 0.00 0.00 178.00 180.14 2dbk n GLN 76 N -4.06 -0.88 -3.89 0.86 6.02 -1.26 -4.86 117.38 109.32 2dbk n GLN 76 Ca -0.02 0.10 -0.36 0.00 -0.01 0.00 0.00 57.00 56.71 2dbk n GLN 76 Cb 0.55 -3.53 -0.08 0.00 1.02 0.00 0.00 30.24 28.20 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 -2.62 6.09 0.00 1.08 4.22 -1.26 -4.98 114.94 117.47 2dbk s ASN 77 Ca 0.60 0.29 0.14 0.00 -2.14 0.00 0.00 52.86 51.75 2dbk s ASN 77 Cb -0.35 -2.01 0.67 0.00 1.28 0.00 0.00 41.25 40.84 2dbk s ASN 77 CO 0.73 0.29 1.43 -0.81 -2.04 0.00 0.00 177.10 176.70 2dbk n PRO 78 N 2.80 0.09 -3.08 3.55 -0.04 -1.26 -4.72 135.00 132.34 2dbk n PRO 78 Ca -0.18 0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 2dbk n PRO 78 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2dbk n PRO 78 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dbk s ASP 79 N -2.81 7.18 -0.22 3.54 1.01 -1.26 -4.97 116.67 119.13 2dbk s ASP 79 Ca 0.10 1.40 -0.04 0.00 0.71 0.00 0.00 52.55 54.72 2dbk s ASP 79 Cb 0.10 -2.43 0.10 0.00 1.01 0.00 0.00 42.92 41.69 2dbk s ASP 79 CO 0.24 0.12 0.20 -1.61 0.21 0.00 0.00 175.17 174.34 2dbk s GLU 80 N -0.50 0.19 0.01 8.23 0.41 -1.26 -5.12 118.70 120.66 2dbk s GLU 80 Ca 0.35 0.02 -0.10 0.00 -0.41 0.00 0.00 54.97 54.82 2dbk s GLU 80 Cb -0.20 -1.21 0.01 0.00 -1.78 0.00 0.00 34.13 30.95 2dbk s GLU 80 CO 0.22 -0.76 0.21 1.21 -0.49 0.00 0.00 175.26 175.65 2dbk s ASN 81 N 2.28 -0.04 -1.16 -0.19 3.84 -1.26 -4.92 114.94 113.48 2dbk s ASN 81 Ca 0.07 -0.16 -0.01 0.00 0.21 0.00 0.00 52.86 52.97 2dbk s ASN 81 Cb -0.16 0.27 -0.01 0.00 -0.55 0.00 0.00 41.25 40.80 2dbk s ASN 81 CO -0.18 -0.46 0.97 1.21 -2.79 0.00 0.00 177.10 175.85 2dbk n GLU 82 N 1.14 -6.10 -0.02 0.43 4.07 -1.26 -4.93 120.64 113.98 2dbk n GLU 82 Ca -0.21 0.83 -0.02 0.00 -0.06 0.00 0.00 57.16 57.70 2dbk n GLU 82 Cb 0.57 -5.78 -0.02 0.00 -0.06 0.00 0.00 31.44 26.14 2dbk n GLU 82 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2dbk n SER 83 N -3.09 3.90 0.00 4.31 3.41 -1.26 -5.09 113.62 115.80 2dbk n SER 83 Ca -0.26 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2dbk n SER 83 Cb 0.66 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 2dbk n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbk n GLY 84 N 3.06 -2.05 3.75 5.00 0.00 -1.26 -4.93 105.19 108.76 2dbk n GLY 84 Ca -0.07 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.19 4.44 -0.52 1.61 0.04 -1.26 -5.00 135.00 131.12 2dbk s PRO 85 Ca 0.00 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.95 2dbk s PRO 85 Cb 0.00 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.52 2dbk s PRO 85 CO 0.00 -0.12 0.45 -1.12 0.04 0.00 0.00 177.00 176.25 2dbk s SER 86 N -0.24 6.04 -0.11 6.66 0.01 -1.26 -5.01 113.70 119.78 2dbk s SER 86 Ca 0.51 -1.80 -0.31 0.00 1.31 0.00 0.00 55.95 55.66 2dbk s SER 86 Cb -0.37 -2.15 0.12 0.00 0.21 0.00 0.00 66.02 63.84 2dbk s SER 86 CO 0.44 -0.80 1.01 -0.94 0.41 0.00 0.00 173.24 173.37 2dbk s SER 87 N 3.27 -0.30 0.00 2.44 1.04 -1.26 -5.11 113.70 113.77 2dbk s SER 87 Ca 0.04 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2dbk s SER 87 Cb -0.29 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2dbk s SER 87 CO 0.02 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.43