#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 2.15 0.48 1.61 0.01 -1.26 -5.18 113.70 111.52 2dbk s SER 2 Ca 0.00 -1.59 0.06 0.00 1.31 0.00 0.00 55.95 55.73 2dbk s SER 2 Cb 0.00 0.38 -0.00 0.00 0.21 0.00 0.00 66.02 66.61 2dbk s SER 2 CO 0.00 -0.87 0.31 -0.55 0.41 0.00 0.00 173.24 172.53 2dbk s SER 3 N -3.48 4.61 0.00 2.44 0.15 -1.26 -5.15 113.70 111.00 2dbk s SER 3 Ca 0.31 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dbk s SER 3 Cb 0.04 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2dbk s SER 3 CO 0.16 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2dbk n GLY 4 N -1.55 1.92 3.47 9.45 0.00 -1.26 -5.15 105.19 112.07 2dbk n GLY 4 Ca -0.02 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.00 0.67 0.39 1.61 0.01 -1.26 -5.19 113.70 108.94 2dbk s SER 5 Ca 0.00 -1.38 0.04 0.00 1.31 0.00 0.00 55.95 55.92 2dbk s SER 5 Cb 0.00 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 2dbk s SER 5 CO 0.00 -1.21 0.08 -0.44 0.41 0.00 0.00 173.24 172.08 2dbk s SER 6 N -3.19 2.89 0.00 2.44 0.01 -1.26 -5.17 113.70 109.42 2dbk s SER 6 Ca 0.30 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2dbk s SER 6 Cb 0.00 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2dbk s SER 6 CO 0.18 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2dbk n GLY 7 N -0.88 5.67 3.58 3.44 0.00 -1.26 -5.17 105.19 110.58 2dbk n GLY 7 Ca -0.07 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 1.18 -1.40 0.15 1.61 0.04 -1.26 -5.04 135.00 130.28 2dbk s PRO 8 Ca 0.00 -0.12 -0.07 0.00 0.04 0.00 0.00 61.00 60.84 2dbk s PRO 8 Cb 0.00 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.90 2dbk s PRO 8 CO 0.00 -3.82 0.43 -0.48 0.04 0.00 0.00 177.00 173.18 2dbk s LEU 9 N -6.99 4.26 0.19 -3.56 0.05 -1.26 -5.06 118.68 106.30 2dbk s LEU 9 Ca 0.71 0.74 -0.30 0.00 0.05 0.00 0.00 54.13 55.33 2dbk s LEU 9 Cb -0.09 -3.35 -0.09 0.00 -2.05 0.00 0.00 46.19 40.62 2dbk s LEU 9 CO 0.56 0.04 1.31 -2.16 -0.55 0.00 0.00 176.35 175.55 2dbk s PRO 10 N -2.53 4.39 -0.10 1.48 0.04 -1.26 -5.03 135.00 131.98 2dbk s PRO 10 Ca 0.41 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 2dbk s PRO 10 Cb -0.12 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2dbk s PRO 10 CO 0.22 -0.26 -0.07 -1.54 0.04 0.00 0.00 177.00 175.39 2dbk s SER 11 N 0.40 2.06 -0.09 6.66 1.04 -1.26 -5.13 113.70 117.38 2dbk s SER 11 Ca 0.57 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 2dbk s SER 11 Cb -0.36 -0.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.95 2dbk s SER 11 CO 0.37 -0.12 -0.02 0.42 0.98 0.00 0.00 173.24 174.88 2dbk s THR 12 N 1.68 4.13 0.06 2.02 -4.23 -1.26 -5.11 115.64 112.92 2dbk s THR 12 Ca 0.04 -0.31 -0.14 0.00 -1.18 0.00 0.00 61.69 60.10 2dbk s THR 12 Cb -0.13 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.00 2dbk s THR 12 CO -0.07 0.59 0.31 -1.58 -0.54 0.00 0.00 174.62 173.33 2dbk s GLN 13 N -0.69 0.85 -0.49 3.99 0.74 -1.26 -5.09 119.66 117.71 2dbk s GLN 13 Ca 0.11 -0.58 -0.44 0.00 0.05 0.00 0.00 55.36 54.50 2dbk s GLN 13 Cb -0.12 0.37 -0.19 0.00 1.10 0.00 0.00 33.01 34.18 2dbk s GLN 13 CO 0.02 -0.28 2.09 0.09 -0.55 0.00 0.00 175.29 176.66 2dbk n ASN 14 N 0.39 0.86 0.00 6.67 3.02 -1.26 -4.85 115.26 120.09 2dbk n ASN 14 Ca -0.18 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 2dbk n ASN 14 Cb 0.60 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2dbk n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dbk n GLY 15 N 7.14 5.33 3.77 7.41 0.00 -1.26 -5.12 105.19 122.46 2dbk n GLY 15 Ca 0.52 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 1.20 4.15 0.37 1.61 0.04 -1.26 -5.01 135.00 136.10 2dbk s PRO 16 Ca 0.00 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 2dbk s PRO 16 Cb 0.00 -2.80 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 2dbk s PRO 16 CO 0.00 -0.26 1.02 0.08 0.04 0.00 0.00 177.00 177.87 2dbk s VAL 17 N -1.33 3.89 0.03 -0.36 1.01 -1.07 -4.92 120.40 117.64 2dbk s VAL 17 Ca 0.54 1.48 0.07 0.00 0.00 0.00 0.00 61.98 64.08 2dbk s VAL 17 Cb -0.33 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2dbk s VAL 17 CO 0.42 0.05 -0.22 -0.36 0.00 0.00 0.00 175.10 174.99 2dbk s PHE 18 N -1.65 1.93 -0.08 5.22 0.08 -1.26 -2.21 117.98 120.02 2dbk s PHE 18 Ca 0.55 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 2dbk s PHE 18 Cb -0.21 -1.18 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2dbk s PHE 18 CO 0.26 0.06 0.17 0.00 -0.10 0.00 0.00 175.22 175.61 2dbk s ALA 19 N -0.71 -0.31 -0.41 5.36 0.00 -1.20 -4.19 121.76 120.29 2dbk s ALA 19 Ca 0.08 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 2dbk s ALA 19 Cb -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2dbk s ALA 19 CO 0.01 -0.25 0.78 0.21 0.00 0.00 0.00 175.76 176.52 2dbk s LYS 20 N 1.42 3.56 -0.22 0.00 2.20 -1.16 -1.02 119.74 124.52 2dbk s LYS 20 Ca -0.07 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.32 2dbk s LYS 20 Cb -0.11 -3.88 -0.07 0.00 -1.51 0.00 0.00 37.83 32.25 2dbk s LYS 20 CO -0.06 -1.00 2.18 0.00 -0.36 0.00 0.00 175.35 176.11 2dbk n ALA 21 N 6.59 1.60 0.17 3.13 0.00 0.39 -3.25 120.51 129.14 2dbk n ALA 21 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2dbk n ALA 21 Cb 0.48 -2.81 0.10 0.00 0.00 0.00 0.00 19.45 17.22 2dbk n ALA 21 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2dbk h ILE 22 N 6.93 0.63 -1.28 0.00 3.07 -1.87 0.33 117.51 125.32 2dbk h ILE 22 Ca -0.40 -1.84 -0.63 0.00 1.55 0.00 0.00 64.86 63.54 2dbk h ILE 22 Cb 1.26 2.27 -0.12 0.00 -0.27 0.00 0.00 36.82 39.96 2dbk h ILE 22 CO 0.97 0.35 -0.56 -1.10 -1.05 0.00 0.00 178.15 176.77 2dbk s GLN 23 N -3.08 2.06 -0.26 0.16 -1.52 -1.24 -4.81 119.66 110.98 2dbk s GLN 23 Ca 0.04 -2.15 -0.20 0.00 -1.95 0.00 0.00 55.36 51.10 2dbk s GLN 23 Cb 0.07 -1.67 -0.02 0.00 -0.22 0.00 0.00 33.01 31.17 2dbk s GLN 23 CO 0.72 -0.16 0.64 0.21 -0.25 0.00 0.00 175.29 176.45 2dbk s LYS 24 N -3.80 4.11 -0.33 2.91 2.20 -1.26 -4.15 119.74 119.42 2dbk s LYS 24 Ca 0.28 0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 2dbk s LYS 24 Cb 0.07 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2dbk s LYS 24 CO 0.15 -0.42 0.18 1.03 -0.36 0.00 0.00 175.35 175.92 2dbk s ARG 25 N 2.52 3.25 -0.12 4.03 1.81 -1.02 -5.03 118.95 124.39 2dbk s ARG 25 Ca 0.26 -0.79 -0.00 0.00 -1.72 0.00 0.00 55.73 53.48 2dbk s ARG 25 Cb -0.15 -3.63 0.03 0.00 -0.45 0.00 0.00 34.95 30.74 2dbk s ARG 25 CO 0.08 -0.48 -0.08 0.08 -0.68 0.00 0.00 175.30 174.22 2dbk s VAL 26 N 1.61 1.10 0.69 3.52 1.01 -1.26 -1.00 120.40 126.07 2dbk s VAL 26 Ca 0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 2dbk s VAL 26 Cb -0.18 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2dbk s VAL 26 CO 0.07 0.35 1.10 -2.16 0.00 0.00 0.00 175.10 174.46 2dbk s PRO 27 N 1.68 2.65 0.95 2.72 0.04 -1.26 -5.04 135.00 136.73 2dbk s PRO 27 Ca 0.04 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 2dbk s PRO 27 Cb -0.13 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.64 2dbk s PRO 27 CO -0.08 -1.36 1.13 0.00 0.04 0.00 0.00 177.00 176.72 2dbk h ALA 29 N -1.65 0.01 -1.38 0.00 0.00 -2.03 -2.08 119.26 112.12 2dbk h ALA 29 Ca -0.51 0.16 -0.72 0.00 0.00 0.00 0.00 54.91 53.83 2dbk h ALA 29 Cb 1.33 0.68 -0.32 0.00 0.00 0.00 0.00 17.79 19.48 2dbk h ALA 29 CO 0.59 -0.64 0.49 2.48 0.00 0.00 0.00 179.25 182.18 2dbk n TYR 30 N -5.43 3.16 -3.71 0.00 4.11 -1.26 -4.85 117.16 109.18 2dbk n TYR 30 Ca 0.04 -2.80 -0.28 0.00 -0.00 0.00 0.00 57.90 54.86 2dbk n TYR 30 Cb 0.34 -0.90 -0.11 0.00 -0.00 0.00 0.00 39.34 38.67 2dbk n TYR 30 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2dbk n ASP 31 N -0.32 2.28 0.05 9.48 -0.08 -0.78 -4.91 116.55 122.27 2dbk n ASP 31 Ca 0.45 -3.05 -0.13 0.00 -1.51 0.00 0.00 54.79 50.55 2dbk n ASP 31 Cb 0.34 -0.70 -0.03 0.00 2.34 0.00 0.00 41.12 43.07 2dbk n ASP 31 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2dbk h LYS 32 N 5.24 0.49 0.00 -0.67 1.57 -1.88 -3.16 116.57 118.15 2dbk h LYS 32 Ca 0.18 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 2dbk h LYS 32 Cb 0.78 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2dbk h LYS 32 CO 0.65 1.10 -0.37 1.79 -0.57 0.00 0.00 179.45 182.05 2dbk h THR 33 N 0.31 1.23 -3.14 -0.16 1.35 -1.92 -3.42 112.91 107.16 2dbk h THR 33 Ca -0.06 -1.27 -0.57 0.00 -0.55 0.00 0.00 66.41 63.96 2dbk h THR 33 Cb 1.47 1.69 -0.05 0.00 -1.73 0.00 0.00 68.15 69.52 2dbk h THR 33 CO 0.15 0.36 0.94 0.00 -0.25 0.00 0.00 175.52 176.72 2dbk s ALA 34 N -4.16 3.43 0.25 6.62 0.00 -1.20 -0.27 121.76 126.43 2dbk s ALA 34 Ca -0.03 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2dbk s ALA 34 Cb 0.14 -3.74 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2dbk s ALA 34 CO 0.72 -1.64 1.04 -1.17 0.00 0.00 0.00 175.76 174.72 2dbk s LEU 35 N 4.13 4.57 -0.11 0.00 0.20 -1.17 -4.65 118.68 121.65 2dbk s LEU 35 Ca 0.54 2.13 -0.13 0.00 0.69 0.00 0.00 54.13 57.36 2dbk s LEU 35 Cb -0.17 -3.62 -0.05 0.00 -0.43 0.00 0.00 46.19 41.93 2dbk s LEU 35 CO 0.20 -0.05 0.30 0.00 -0.29 0.00 0.00 176.35 176.52 2dbk s ALA 36 N -1.02 3.67 0.15 5.97 0.00 -1.26 -4.59 121.76 124.68 2dbk s ALA 36 Ca 0.44 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 2dbk s ALA 36 Cb -0.29 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 2dbk s ALA 36 CO 0.37 0.28 0.16 -0.51 0.00 0.00 0.00 175.76 176.06 2dbk s LEU 37 N -0.19 1.36 0.49 0.00 1.43 -0.17 -4.97 118.68 116.62 2dbk s LEU 37 Ca 0.18 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2dbk s LEU 37 Cb -0.14 0.68 -0.02 0.00 0.03 0.00 0.00 46.19 46.75 2dbk s LEU 37 CO 0.07 -0.82 0.14 -1.83 0.23 0.00 0.00 176.35 174.14 2dbk s GLU 38 N -4.03 2.19 -0.54 1.70 -1.05 -1.26 -2.44 118.70 113.27 2dbk s GLU 38 Ca 0.23 -2.16 -0.28 0.00 -0.15 0.00 0.00 54.97 52.61 2dbk s GLU 38 Cb 0.06 -1.77 0.02 0.00 -0.44 0.00 0.00 34.13 31.99 2dbk s GLU 38 CO 0.03 -0.33 1.37 0.08 0.95 0.00 0.00 175.26 177.36 2dbk s VAL 39 N -2.78 3.85 0.00 1.83 1.01 -1.26 -3.24 120.40 119.81 2dbk s VAL 39 Ca 0.23 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2dbk s VAL 39 Cb 0.02 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2dbk s VAL 39 CO 0.13 -1.13 0.00 0.61 0.00 0.00 0.00 175.10 174.71 2dbk n GLY 40 N 5.19 1.94 3.60 4.51 0.00 0.10 -5.04 105.19 115.50 2dbk n GLY 40 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 4.79 -0.84 1.61 2.15 -1.20 -4.87 116.67 116.32 2dbk s ASP 41 Ca 0.00 0.01 -0.18 0.00 0.43 0.00 0.00 52.55 52.81 2dbk s ASP 41 Cb 0.00 -1.29 0.15 0.00 -0.30 0.00 0.00 42.92 41.48 2dbk s ASP 41 CO 0.00 0.35 0.96 -0.63 -0.17 0.00 0.00 175.17 175.68 2dbk s ILE 42 N -0.73 4.96 -0.50 4.11 1.09 -1.26 -0.46 121.20 128.41 2dbk s ILE 42 Ca 0.11 -1.68 -0.28 0.00 -1.10 0.00 0.00 60.65 57.71 2dbk s ILE 42 Cb -0.11 -4.65 -0.01 0.00 -1.06 0.00 0.00 42.46 36.63 2dbk s ILE 42 CO 0.02 -1.32 1.70 -0.69 -0.10 0.00 0.00 174.94 174.55 2dbk s VAL 43 N 2.07 3.53 -0.53 2.92 1.01 -0.19 -4.79 120.40 124.42 2dbk s VAL 43 Ca 0.25 0.45 -0.27 0.00 0.00 0.00 0.00 61.98 62.41 2dbk s VAL 43 Cb -0.10 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2dbk s VAL 43 CO -0.06 -0.82 1.08 -0.75 0.00 0.00 0.00 175.10 174.55 2dbk s LYS 44 N 6.12 3.53 -0.15 2.72 2.20 -1.26 -3.25 119.74 129.65 2dbk s LYS 44 Ca 0.67 0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 56.46 2dbk s LYS 44 Cb -0.15 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 2dbk s LYS 44 CO 0.26 -1.48 -0.04 0.54 -0.36 0.00 0.00 175.35 174.27 2dbk s VAL 45 N 4.40 3.90 -0.09 4.02 0.11 -0.94 -1.62 120.40 130.19 2dbk s VAL 45 Ca 0.41 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 2dbk s VAL 45 Cb -0.09 -2.70 -0.08 0.00 -1.53 0.00 0.00 36.38 31.98 2dbk s VAL 45 CO 0.26 0.50 -0.03 0.35 -3.33 0.00 0.00 175.10 172.85 2dbk n THR 46 N 3.40 0.55 -3.58 5.04 -2.24 -1.08 -2.61 114.28 113.76 2dbk n THR 46 Ca -0.17 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 2dbk n THR 46 Cb 0.53 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.19 4.01 -0.24 -0.78 0.52 -1.20 -4.97 118.95 114.10 2dbk s ARG 47 Ca -0.09 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 2dbk s ARG 47 Cb 0.03 -3.61 0.04 0.00 0.52 0.00 0.00 34.95 31.93 2dbk s ARG 47 CO 0.27 -0.10 -0.12 -1.64 0.02 0.00 0.00 175.30 173.73 2dbk s MET 48 N 1.53 2.57 0.56 3.54 -1.94 -1.26 -0.25 119.30 124.04 2dbk s MET 48 Ca 0.09 -1.13 -0.15 0.00 -1.71 0.00 0.00 55.69 52.79 2dbk s MET 48 Cb -0.15 -2.83 -0.06 0.00 2.01 0.00 0.00 34.83 33.80 2dbk s MET 48 CO 0.08 -0.44 1.01 -0.80 -0.01 0.00 0.00 175.02 174.86 2dbk s ASN 49 N 1.20 6.36 -0.19 3.03 0.01 -1.24 -4.94 114.94 119.18 2dbk s ASN 49 Ca -0.03 1.56 -0.02 0.00 -0.71 0.00 0.00 52.86 53.66 2dbk s ASN 49 Cb -0.17 -2.50 0.05 0.00 0.41 0.00 0.00 41.25 39.03 2dbk s ASN 49 CO -0.07 -0.77 2.39 2.30 -1.51 0.00 0.00 177.10 179.44 2dbk n ILE 50 N -2.01 2.66 0.00 0.60 -5.35 -1.26 -3.65 119.36 110.35 2dbk n ILE 50 Ca 0.07 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 2dbk n ILE 50 Cb 0.54 -1.54 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 2dbk n ILE 50 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2dbk n ASN 51 N 1.14 1.66 0.00 7.28 0.23 -1.26 -5.07 115.26 119.24 2dbk n ASN 51 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 2dbk n ASN 51 Cb 0.60 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 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 2.21 3.71 3.70 4.83 0.00 -1.24 -5.12 105.19 113.28 2dbk n GLY 52 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 4.50 0.19 1.61 1.11 -1.26 -4.74 119.66 121.06 2dbk s GLN 53 Ca 0.00 1.37 0.05 0.00 0.01 0.00 0.00 55.36 56.80 2dbk s GLN 53 Cb 0.00 -3.49 -0.04 0.00 -1.01 0.00 0.00 33.01 28.47 2dbk s GLN 53 CO 0.00 -0.14 0.16 -1.58 0.01 0.00 0.00 175.29 173.74 2dbk s TRP 54 N 1.37 3.16 -0.30 0.91 0.51 -1.26 -3.60 118.94 119.73 2dbk s TRP 54 Ca 0.50 -0.04 -0.11 0.00 -2.12 0.00 0.00 56.10 54.33 2dbk s TRP 54 Cb -0.20 -1.49 -0.03 0.00 -0.81 0.00 0.00 33.47 30.94 2dbk s TRP 54 CO 0.24 0.52 0.19 -2.00 -0.51 0.00 0.00 176.95 175.38 2dbk s GLU 55 N -3.30 3.72 0.18 4.98 2.12 0.65 -3.73 118.70 123.31 2dbk s GLU 55 Ca 0.32 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.21 2dbk s GLU 55 Cb -0.10 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 2dbk s GLU 55 CO 0.24 -0.29 -0.07 0.20 -0.54 0.00 0.00 175.26 174.80 2dbk s GLY 56 N 1.72 1.24 -0.20 -1.50 0.00 -1.24 -2.62 107.32 104.71 2dbk s GLY 56 Ca 0.06 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 2dbk s GLY 56 CO 0.10 -1.62 -0.14 1.85 0.00 0.00 0.00 173.10 173.29 2dbk s GLU 57 N -3.78 3.04 -0.03 2.90 2.12 -0.64 -3.09 118.70 119.22 2dbk s GLU 57 Ca 0.21 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.71 2dbk s GLU 57 Cb 0.03 -2.75 0.03 0.00 0.26 0.00 0.00 34.13 31.70 2dbk s GLU 57 CO 0.03 -0.25 0.05 0.08 -0.54 0.00 0.00 175.26 174.64 2dbk s VAL 58 N 1.34 -0.07 -1.39 3.70 1.01 -0.32 -4.17 120.40 120.51 2dbk s VAL 58 Ca 0.04 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 2dbk s VAL 58 Cb -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2dbk s VAL 58 CO -0.09 0.10 0.67 0.59 0.00 0.00 0.00 175.10 176.37 2dbk n ASN 59 N 4.35 -1.57 -3.36 3.32 3.02 -1.26 -1.09 115.26 118.67 2dbk n ASN 59 Ca -0.24 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.19 2dbk n ASN 59 Cb 0.50 -3.69 0.04 0.00 -0.61 0.00 0.00 39.78 36.02 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 -1.70 -0.52 2.77 7.41 0.00 -1.26 -4.98 105.19 106.91 2dbk n GLY 60 Ca -0.24 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -6.05 -0.01 -0.29 1.61 1.81 -0.25 -5.13 118.95 110.64 2dbk s ARG 61 Ca 0.45 0.45 -0.06 0.00 -1.72 0.00 0.00 55.73 54.85 2dbk s ARG 61 Cb -0.21 -0.36 0.02 0.00 -0.45 0.00 0.00 34.95 33.95 2dbk s ARG 61 CO 0.55 -0.29 0.06 0.15 -0.68 0.00 0.00 175.30 175.09 2dbk s LYS 62 N 2.06 2.94 0.27 3.54 3.01 -1.26 -1.17 119.74 129.13 2dbk s LYS 62 Ca 0.02 -0.95 -0.14 0.00 -1.01 0.00 0.00 55.97 53.89 2dbk s LYS 62 Cb -0.12 -3.31 0.00 0.00 -1.01 0.00 0.00 37.83 33.39 2dbk s LYS 62 CO -0.04 -0.48 0.55 0.20 0.51 0.00 0.00 175.35 176.09 2dbk s GLY 63 N 1.44 0.42 -0.11 -3.33 0.00 -1.18 -4.88 107.32 99.69 2dbk s GLY 63 Ca 0.01 -0.76 -0.26 0.00 0.00 0.00 0.00 44.72 43.71 2dbk s GLY 63 CO 0.01 -0.50 0.83 1.08 0.00 0.00 0.00 173.10 174.52 2dbk s LEU 64 N -3.01 4.26 0.02 0.66 1.43 0.63 -3.65 118.68 119.02 2dbk s LEU 64 Ca 0.20 1.28 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 2dbk s LEU 64 Cb -0.02 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 2dbk s LEU 64 CO 0.09 -0.29 -0.24 0.72 0.23 0.00 0.00 176.35 176.87 2dbk s PHE 65 N 1.53 2.08 -0.03 0.29 -0.71 -1.24 -3.06 117.98 116.83 2dbk s PHE 65 Ca 0.41 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.61 2dbk s PHE 65 Cb -0.18 -1.28 -0.05 0.00 -1.21 0.00 0.00 43.02 40.30 2dbk s PHE 65 CO 0.17 0.05 1.48 -1.25 -1.34 0.00 0.00 175.22 174.33 2dbk s PRO 66 N -0.93 4.24 0.24 1.99 0.04 -1.26 -4.29 135.00 135.03 2dbk s PRO 66 Ca 0.09 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 2dbk s PRO 66 Cb -0.09 -3.72 0.25 0.00 0.04 0.00 0.00 34.50 30.97 2dbk s PRO 66 CO 0.01 -0.69 1.80 0.27 0.04 0.00 0.00 177.00 178.43 2dbk h PHE 67 N 8.43 1.10 0.00 0.56 -5.15 -1.90 -1.79 116.94 118.19 2dbk h PHE 67 Ca -0.37 -0.08 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 2dbk h PHE 67 Cb 1.17 -0.33 0.00 0.00 0.22 0.00 0.00 35.95 37.01 2dbk h PHE 67 CO 0.80 0.85 0.13 -2.37 -2.00 0.00 0.00 178.31 175.72 2dbk n THR 68 N -4.28 0.83 -0.02 0.88 5.66 -1.26 -0.31 114.28 115.79 2dbk n THR 68 Ca 0.06 0.75 -0.10 0.00 -3.05 0.00 0.00 64.05 61.71 2dbk n THR 68 Cb 0.19 -1.75 -0.14 0.00 -1.55 0.00 0.00 70.33 67.09 2dbk n THR 68 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2dbk n HIS 69 N -2.18 1.05 -3.88 1.09 8.25 -0.68 -4.93 115.22 113.94 2dbk n HIS 69 Ca -0.01 0.36 -0.21 0.00 -0.26 0.00 0.00 57.72 57.60 2dbk n HIS 69 Cb 0.16 -1.19 -0.02 0.00 1.12 0.00 0.00 29.99 30.06 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 -2.59 4.71 -0.08 1.59 -7.23 0.58 -3.20 120.40 114.18 2dbk s VAL 70 Ca -0.07 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2dbk s VAL 70 Cb 0.08 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.41 2dbk s VAL 70 CO 0.82 -0.29 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.47 2dbk s LYS 71 N -4.00 1.59 0.20 4.82 2.20 -1.20 -4.89 119.74 118.46 2dbk s LYS 71 Ca 0.37 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.33 2dbk s LYS 71 Cb -0.09 -1.43 -0.09 0.00 -1.51 0.00 0.00 37.83 34.71 2dbk s LYS 71 CO 0.28 -0.08 1.36 0.42 -0.36 0.00 0.00 175.35 176.97 2dbk s ILE 72 N 1.02 3.08 0.32 5.43 -1.09 -1.26 -3.01 121.20 125.69 2dbk s ILE 72 Ca -0.08 0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 59.15 2dbk s ILE 72 Cb -0.15 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2dbk s ILE 72 CO -0.01 0.12 0.50 0.72 -1.23 0.00 0.00 174.94 175.05 2dbk s PHE 73 N 0.26 0.77 -0.84 3.97 -0.71 -1.26 -5.00 117.98 115.17 2dbk s PHE 73 Ca 0.59 -1.09 -0.06 0.00 -1.04 0.00 0.00 56.93 55.33 2dbk s PHE 73 Cb -0.38 0.08 0.21 0.00 -1.21 0.00 0.00 43.02 41.72 2dbk s PHE 73 CO 0.38 -1.13 0.74 -0.51 -1.34 0.00 0.00 175.22 173.36 2dbk s ASP 74 N -3.16 6.19 0.19 1.98 1.11 -1.26 -4.89 116.67 116.83 2dbk s ASP 74 Ca 0.27 -3.22 -0.05 0.00 0.18 0.00 0.00 52.55 49.73 2dbk s ASP 74 Cb -0.01 -2.02 0.10 0.00 1.07 0.00 0.00 42.92 42.07 2dbk s ASP 74 CO 0.16 -0.34 1.54 1.55 1.18 0.00 0.00 175.17 179.25 2dbk h PRO 75 N 6.82 0.71 -6.92 8.23 0.13 -1.99 -3.46 132.00 135.51 2dbk h PRO 75 Ca 0.10 -0.38 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 2dbk h PRO 75 Cb 0.92 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.81 2dbk h PRO 75 CO 0.82 0.99 -0.88 1.04 -0.23 0.00 0.00 178.00 179.74 2dbk n GLN 76 N -4.03 -0.87 -4.63 0.86 6.02 -1.26 -4.90 117.38 108.57 2dbk n GLN 76 Ca -0.02 0.10 -0.34 0.00 -0.01 0.00 0.00 57.00 56.73 2dbk n GLN 76 Cb 0.54 -3.68 -0.12 0.00 1.02 0.00 0.00 30.24 28.00 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 -3.87 4.50 0.00 1.08 0.01 -1.26 -4.99 114.94 110.42 2dbk s ASN 77 Ca 0.27 -0.12 0.15 0.00 -0.71 0.00 0.00 52.86 52.45 2dbk s ASN 77 Cb -0.16 -1.37 0.86 0.00 0.41 0.00 0.00 41.25 40.99 2dbk s ASN 77 CO 0.94 0.28 1.37 -0.81 -1.51 0.00 0.00 177.10 177.36 2dbk n PRO 78 N 2.80 0.37 0.12 -0.60 -0.04 -1.26 -3.50 135.00 132.89 2dbk n PRO 78 Ca -0.18 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 2dbk n PRO 78 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2dbk n PRO 78 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dbk h ASP 79 N 0.00 -0.51 -3.25 3.54 3.32 -1.99 -3.38 116.42 114.15 2dbk h ASP 79 Ca 0.00 0.06 -0.59 0.00 0.02 0.00 0.00 57.03 56.51 2dbk h ASP 79 Cb 0.06 0.19 -0.40 0.00 0.22 0.00 0.00 39.33 39.40 2dbk h ASP 79 CO 0.00 -0.27 -0.75 -0.70 -1.72 0.00 0.00 179.24 175.79 2dbk s GLU 80 N -6.11 0.88 -0.49 3.56 2.12 -1.23 -5.04 118.70 112.39 2dbk s GLU 80 Ca -0.15 -1.32 0.04 0.00 0.36 0.00 0.00 54.97 53.90 2dbk s GLU 80 Cb 0.07 -2.13 0.17 0.00 0.26 0.00 0.00 34.13 32.50 2dbk s GLU 80 CO 0.65 -1.02 0.39 0.27 -0.54 0.00 0.00 175.26 175.01 2dbk n ASN 81 N 4.53 0.51 -4.65 -1.70 6.94 -1.26 -4.92 115.26 114.70 2dbk n ASN 81 Ca 0.01 -2.61 -0.48 0.00 -0.02 0.00 0.00 54.58 51.48 2dbk n ASN 81 Cb 0.40 -0.61 -0.05 0.00 -2.36 0.00 0.00 39.78 37.17 2dbk n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2dbk n GLU 82 N 2.57 2.10 -4.34 -3.83 -0.58 -1.26 -4.96 120.64 110.34 2dbk n GLU 82 Ca 0.27 0.74 -0.29 0.00 -0.42 0.00 0.00 57.16 57.46 2dbk n GLU 82 Cb 0.44 -2.70 -0.05 0.00 -0.57 0.00 0.00 31.44 28.57 2dbk n GLU 82 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2dbk s SER 83 N 4.78 4.35 0.00 1.62 1.04 -1.26 -4.83 113.70 119.41 2dbk s SER 83 Ca 0.95 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2dbk s SER 83 Cb -0.66 0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2dbk s SER 83 CO 0.50 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2dbk n GLY 84 N -1.44 2.87 3.65 7.32 0.00 -1.26 -5.01 105.19 111.32 2dbk n GLY 84 Ca -0.10 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.25 4.04 0.36 1.61 0.04 -1.26 -5.00 135.00 130.55 2dbk s PRO 85 Ca 0.00 1.87 0.05 0.00 0.04 0.00 0.00 61.00 62.96 2dbk s PRO 85 Cb 0.00 -3.96 -0.06 0.00 0.04 0.00 0.00 34.50 30.52 2dbk s PRO 85 CO 0.00 -0.99 0.05 -1.54 0.04 0.00 0.00 177.00 174.56 2dbk s SER 86 N 3.39 2.90 -0.22 6.66 1.04 -1.26 -5.14 113.70 121.07 2dbk s SER 86 Ca 0.69 -1.41 0.02 0.00 0.48 0.00 0.00 55.95 55.73 2dbk s SER 86 Cb -0.28 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.78 2dbk s SER 86 CO 0.26 -0.59 -0.12 -0.55 0.98 0.00 0.00 173.24 173.22 2dbk s SER 87 N -3.58 3.79 0.00 7.02 0.15 -1.26 -5.26 113.70 114.57 2dbk s SER 87 Ca 0.34 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2dbk s SER 87 Cb 0.08 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2dbk s SER 87 CO 0.16 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.07