#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dky n SER 2 N 0.00 -1.40 -4.58 1.61 3.41 -1.26 -4.90 113.62 106.49 2dky n SER 2 Ca 0.00 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.06 2dky n SER 2 Cb 0.00 -1.83 -0.11 0.00 -0.26 0.00 0.00 64.21 62.01 2dky n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dky s SER 3 N -3.54 5.05 -0.01 4.04 0.01 -1.26 -4.89 113.70 113.09 2dky s SER 3 Ca 0.61 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.86 2dky s SER 3 Cb -0.35 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dky s SER 3 CO 1.00 0.25 0.02 0.61 0.41 0.00 0.00 173.24 175.53 2dky n GLY 4 N 3.01 -3.35 3.11 3.44 0.00 -1.26 -4.69 105.19 105.45 2dky n GLY 4 Ca -0.18 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2dky n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dky s SER 5 N -0.11 2.38 0.20 1.61 1.04 -1.26 -3.06 113.70 114.51 2dky s SER 5 Ca -0.02 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.84 2dky s SER 5 Cb 0.00 -1.10 0.01 0.00 0.10 0.00 0.00 66.02 65.04 2dky s SER 5 CO 0.07 0.09 0.47 -0.44 0.98 0.00 0.00 173.24 174.40 2dky s SER 6 N 0.53 -0.15 0.24 7.02 0.01 -1.26 -5.00 113.70 115.08 2dky s SER 6 Ca -0.16 -0.67 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 2dky s SER 6 Cb -0.17 0.56 0.40 0.00 0.21 0.00 0.00 66.02 67.02 2dky s SER 6 CO 0.06 -1.05 1.65 1.23 0.41 0.00 0.00 173.24 175.54 2dky h GLY 7 N 2.28 0.81 -1.95 3.44 0.00 -2.00 -3.43 103.07 102.23 2dky h GLY 7 Ca -0.28 0.08 -0.49 0.00 0.00 0.00 0.00 47.33 46.64 2dky h GLY 7 CO 0.39 -0.25 -1.85 1.03 0.00 0.00 0.00 176.54 175.86 2dky n MET 8 N -5.30 -0.59 -3.63 4.80 2.00 -1.26 -5.02 117.12 108.11 2dky n MET 8 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 57.70 57.64 2dky n MET 8 Cb 0.44 -1.32 -0.01 0.00 0.00 0.00 0.00 33.22 32.32 2dky n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dky s ARG 10 N -2.75 3.34 0.61 0.00 3.52 -1.26 -4.93 118.95 117.47 2dky s ARG 10 Ca 0.11 -0.33 0.25 0.00 -0.13 0.00 0.00 55.73 55.63 2dky s ARG 10 Cb 0.01 -3.05 1.36 0.00 -1.56 0.00 0.00 34.95 31.71 2dky s ARG 10 CO -0.03 0.69 1.75 0.87 -0.81 0.00 0.00 175.30 177.76 2dky h LYS 11 N 4.10 0.00 -6.65 5.12 1.57 -2.01 -3.43 116.57 115.26 2dky h LYS 11 Ca -0.50 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.70 2dky h LYS 11 Cb 1.19 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.63 2dky h LYS 11 CO 0.65 0.00 0.25 1.63 -0.57 0.00 0.00 179.45 181.41 2dky n LYS 12 N -2.72 1.54 0.02 3.15 4.76 -1.26 -4.85 118.16 118.79 2dky n LYS 12 Ca -0.02 0.55 0.08 0.00 -2.87 0.00 0.00 58.31 56.04 2dky n LYS 12 Cb 0.42 -2.09 0.33 0.00 -1.84 0.00 0.00 35.03 31.84 2dky n LYS 12 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2dky n PRO 13 N 0.28 0.03 -1.60 1.97 -0.04 -1.26 -4.82 135.00 129.56 2dky n PRO 13 Ca 0.08 0.28 -0.60 0.00 -0.04 0.00 0.00 63.50 63.22 2dky n PRO 13 Cb 0.38 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 2dky n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dky n ASP 14 N -1.61 1.70 -3.64 3.54 2.03 -1.26 -4.75 116.55 112.55 2dky n ASP 14 Ca 0.03 0.94 -0.05 0.00 0.52 0.00 0.00 54.79 56.24 2dky n ASP 14 Cb 0.17 -1.03 -0.07 0.00 -0.72 0.00 0.00 41.12 39.47 2dky n ASP 14 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dky s THR 15 N 4.40 0.00 0.22 5.18 2.01 -1.26 -5.02 115.64 121.17 2dky s THR 15 Ca 1.06 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.95 2dky s THR 15 Cb -1.25 -1.00 0.23 0.00 0.01 0.00 0.00 72.50 70.49 2dky s THR 15 CO 0.68 0.00 1.64 -0.03 -0.69 0.00 0.00 174.62 176.23 2dky h MET 16 N 6.28 0.07 0.48 4.92 4.05 -2.00 0.13 114.93 128.87 2dky h MET 16 Ca -0.29 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.10 2dky h MET 16 Cb 1.20 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2dky h MET 16 CO 0.18 0.05 -0.23 0.82 0.23 0.00 0.00 176.91 177.95 2dky h ILE 17 N 0.07 0.00 -0.93 1.77 1.08 -1.97 -3.09 117.51 114.45 2dky h ILE 17 Ca 0.34 -0.48 0.18 0.00 -0.39 0.00 0.00 64.86 64.50 2dky h ILE 17 Cb 0.56 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.14 2dky h ILE 17 CO -0.60 0.00 -0.27 0.25 -0.69 0.00 0.00 178.15 176.84 2dky h LEU 18 N -1.13 -0.98 -0.42 1.44 6.46 -1.82 0.30 115.31 119.15 2dky h LEU 18 Ca -0.07 0.28 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 2dky h LEU 18 Cb 0.50 0.61 -0.08 0.00 -0.73 0.00 0.00 40.66 40.96 2dky h LEU 18 CO 0.11 -0.30 -0.11 0.71 -0.62 0.00 0.00 178.44 178.23 2dky h THR 19 N -0.01 0.57 -0.99 1.05 1.35 -0.83 -0.22 112.91 113.84 2dky h THR 19 Ca 0.42 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.53 2dky h THR 19 Cb 0.66 0.57 -0.13 0.00 -1.73 0.00 0.00 68.15 67.53 2dky h THR 19 CO -0.95 0.00 0.57 1.56 -0.25 0.00 0.00 175.52 176.45 2dky h GLN 20 N -0.00 0.53 0.38 4.72 4.20 -0.32 0.12 115.11 124.72 2dky h GLN 20 Ca 0.20 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2dky h GLN 20 Cb 0.31 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2dky h GLN 20 CO -0.44 0.35 -0.18 0.82 -0.67 0.00 0.00 178.83 178.71 2dky h ILE 21 N 0.54 0.00 -1.01 2.54 5.03 -0.80 0.32 117.51 124.13 2dky h ILE 21 Ca 0.64 -0.38 0.30 0.00 -0.12 0.00 0.00 64.86 65.30 2dky h ILE 21 Cb 1.23 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.89 2dky h ILE 21 CO -0.49 0.00 0.59 -0.33 -0.68 0.00 0.00 178.15 177.24 2dky h GLU 22 N -0.89 0.39 0.33 2.37 4.39 -0.82 -1.25 114.58 119.11 2dky h GLU 22 Ca -0.05 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2dky h GLU 22 Cb 0.39 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2dky h GLU 22 CO 0.08 0.26 -0.16 0.00 -1.16 0.00 0.00 179.01 178.04 2dky h ALA 23 N 1.80 -0.48 -0.94 3.43 0.00 -0.82 -3.27 119.26 118.98 2dky h ALA 23 Ca 0.70 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.84 2dky h ALA 23 Cb 1.55 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 19.34 2dky h ALA 23 CO -0.55 -0.45 0.23 1.17 0.00 0.00 0.00 179.25 179.65 2dky n LYS 24 N -4.73 -0.07 -0.12 0.00 0.00 0.10 0.10 118.16 113.44 2dky n LYS 24 Ca -0.05 1.36 -0.04 0.00 0.00 0.00 0.00 58.31 59.57 2dky n LYS 24 Cb 0.17 -2.28 0.03 0.00 0.00 0.00 0.00 35.03 32.96 2dky n LYS 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2dky h GLU 25 N 0.00 0.13 0.79 1.64 5.08 -1.32 0.30 114.58 121.20 2dky h GLU 25 Ca 0.67 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.98 2dky h GLU 25 Cb 1.58 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.81 2dky h GLU 25 CO -0.82 0.09 -0.38 0.00 -1.00 0.00 0.00 179.01 176.90 2dky h ALA 26 N 1.35 -1.06 0.27 3.43 0.00 0.64 -2.57 119.26 121.31 2dky h ALA 26 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dky h ALA 26 Cb 0.28 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2dky h ALA 26 CO -0.32 -1.04 -0.48 0.00 0.00 0.00 0.00 179.25 177.41 2dky h ASP 28 N -0.80 0.37 -0.04 0.00 1.82 -0.47 0.39 116.42 117.69 2dky h ASP 28 Ca -0.03 0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 56.81 2dky h ASP 28 Cb 0.75 0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2dky h ASP 28 CO -0.17 -0.34 -0.13 -0.25 -1.61 0.00 0.00 179.24 176.74 2dky h TRP 29 N 0.11 0.20 -0.93 0.28 7.01 -0.86 0.23 115.95 121.98 2dky h TRP 29 Ca 0.81 -0.08 0.20 0.00 2.11 0.00 0.00 58.89 61.93 2dky h TRP 29 Cb 2.04 -0.03 -0.11 0.00 -2.10 0.00 0.00 29.16 28.95 2dky h TRP 29 CO -0.02 0.75 0.49 -0.07 -2.79 0.00 0.00 178.44 176.81 2dky h LEU 30 N -0.42 0.55 0.00 0.65 3.38 0.22 1.39 115.31 121.07 2dky h LEU 30 Ca -0.01 0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2dky h LEU 30 Cb 0.76 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2dky h LEU 30 CO 0.03 0.13 -1.21 -0.09 0.09 0.00 0.00 178.44 177.38 2dky h ARG 31 N 0.57 0.00 -0.40 1.13 2.43 -1.11 0.56 114.38 117.56 2dky h ARG 31 Ca 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 2dky h ARG 31 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2dky h ARG 31 CO -0.45 0.35 0.00 0.00 -1.51 0.00 0.00 179.97 178.36 2dky n ALA 32 N -2.36 2.44 -0.03 2.80 0.00 0.80 -4.10 120.51 120.06 2dky n ALA 32 Ca -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 53.44 52.55 2dky n ALA 32 Cb 0.82 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 2dky n ALA 32 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dky n THR 33 N 0.84 0.36 0.00 0.00 5.66 0.45 -4.94 114.28 116.65 2dky n THR 33 Ca 0.16 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2dky n THR 33 Cb 0.41 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 2dky n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dky n GLY 34 N 3.07 0.25 3.14 1.09 0.00 -1.18 -5.08 105.19 106.48 2dky n GLY 34 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2dky n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dky s PHE 35 N 0.00 3.85 -0.03 1.61 0.08 0.20 -4.88 117.98 118.81 2dky s PHE 35 Ca 0.00 -2.89 0.31 0.00 0.12 0.00 0.00 56.93 54.48 2dky s PHE 35 Cb 0.00 -3.33 1.30 0.00 -0.57 0.00 0.00 43.02 40.42 2dky s PHE 35 CO 0.00 -0.79 1.93 -1.00 -0.10 0.00 0.00 175.22 175.25 2dky h PRO 36 N 6.34 0.00 -0.02 0.24 0.13 -1.81 -2.99 132.00 133.89 2dky h PRO 36 Ca 0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.02 2dky h PRO 36 Cb 0.85 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.00 2dky h PRO 36 CO 0.84 0.00 -0.93 -0.56 -0.23 0.00 0.00 178.00 177.12 2dky h GLN 37 N 0.00 0.67 0.00 0.86 3.07 -1.89 -2.92 115.11 114.90 2dky h GLN 37 Ca 0.00 -0.69 -0.01 0.00 0.09 0.00 0.00 58.65 58.03 2dky h GLN 37 Cb 0.45 0.19 -0.00 0.00 0.08 0.00 0.00 27.48 28.20 2dky h GLN 37 CO 0.00 1.28 -0.07 1.88 0.09 0.00 0.00 178.83 182.02 2dky h TYR 38 N 0.34 0.00 0.00 0.06 0.05 -1.85 0.04 116.97 115.61 2dky h TYR 38 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 2dky h TYR 38 Cb 1.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.33 2dky h TYR 38 CO 0.11 0.07 -0.41 0.00 -1.05 0.00 0.00 178.16 176.87 2dky n ALA 39 N -2.44 2.83 -0.05 3.88 0.00 -1.20 -4.01 120.51 119.51 2dky n ALA 39 Ca -0.03 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 2dky n ALA 39 Cb 0.15 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 2dky n ALA 39 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dky n GLN 40 N -1.98 0.68 -0.33 0.00 0.00 -0.16 -3.65 117.38 111.94 2dky n GLN 40 Ca 0.04 0.37 0.18 0.00 -0.00 0.00 0.00 57.00 57.59 2dky n GLN 40 Cb 0.41 -1.70 0.38 0.00 0.00 0.00 0.00 30.24 29.33 2dky n GLN 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2dky h LEU 41 N -0.37 0.45 -0.30 1.69 3.38 -1.25 0.33 115.31 119.24 2dky h LEU 41 Ca -0.42 0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.51 2dky h LEU 41 Cb 1.75 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2dky h LEU 41 CO -0.06 -0.03 -0.74 0.22 0.09 0.00 0.00 178.44 177.92 2dky h TYR 42 N 0.41 0.79 -0.02 1.13 5.03 -1.74 -1.37 116.97 121.20 2dky h TYR 42 Ca 0.64 -0.35 0.01 0.00 2.58 0.00 0.00 58.73 61.61 2dky h TYR 42 Cb 1.32 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.47 2dky h TYR 42 CO -0.07 1.14 0.03 0.93 -1.32 0.00 0.00 178.16 178.86 2dky h GLU 43 N 0.40 0.00 -0.03 1.82 4.39 -0.45 0.19 114.58 120.91 2dky h GLU 43 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2dky h GLU 43 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2dky h GLU 43 CO 0.14 0.00 -0.03 -3.47 -1.16 0.00 0.00 179.01 174.49 2dky n ASP 44 N -3.66 2.55 -2.44 1.42 -0.08 -0.72 -4.97 116.55 108.65 2dky n ASP 44 Ca -0.02 -1.83 -0.10 0.00 -1.51 0.00 0.00 54.79 51.32 2dky n ASP 44 Cb 0.11 0.03 0.05 0.00 2.34 0.00 0.00 41.12 43.65 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2dky n PHE 45 N 0.95 -1.30 -0.10 -0.67 3.72 0.66 -4.97 117.46 115.76 2dky n PHE 45 Ca 0.15 0.55 -0.11 0.00 -0.05 0.00 0.00 57.45 57.99 2dky n PHE 45 Cb 0.53 -3.81 -0.15 0.00 -0.94 0.00 0.00 39.48 35.10 2dky n PHE 45 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2dky n LEU 46 N -2.84 0.51 -4.50 4.37 4.77 -0.53 -4.99 117.00 113.79 2dky n LEU 46 Ca -0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 2dky n LEU 46 Cb 0.60 0.26 0.14 0.00 -2.33 0.00 0.00 43.42 42.09 2dky n LEU 46 CO 0.36 0.56 0.18 0.49 -1.33 0.00 0.00 177.39 177.66 2dky n PHE 47 N -2.85 -0.64 -1.23 -1.77 3.01 -1.26 -4.65 117.46 108.08 2dky n PHE 47 Ca -0.34 0.29 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 2dky n PHE 47 Cb 1.13 -1.86 0.12 0.00 -0.01 0.00 0.00 39.48 38.85 2dky n PHE 47 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2dky s PRO 48 N -3.97 1.70 0.37 -1.08 0.04 -1.26 -4.77 135.00 126.03 2dky s PRO 48 Ca 0.60 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.70 2dky s PRO 48 Cb -0.22 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2dky s PRO 48 CO 0.64 -1.98 0.11 0.96 0.04 0.00 0.00 177.00 176.77 2dky s ILE 49 N -2.92 2.56 -0.99 0.56 -4.36 -1.26 -5.05 121.20 109.73 2dky s ILE 49 Ca 0.62 -1.80 -0.23 0.00 -0.26 0.00 0.00 60.65 58.98 2dky s ILE 49 Cb -0.18 -2.93 0.05 0.00 1.25 0.00 0.00 42.46 40.66 2dky s ILE 49 CO 0.57 -0.11 1.43 -1.81 0.24 0.00 0.00 174.94 175.25 2dky s ASP 50 N -3.82 6.47 0.27 4.36 1.01 -1.26 -4.84 116.67 118.86 2dky s ASP 50 Ca 0.38 -1.36 0.01 0.00 0.71 0.00 0.00 52.55 52.29 2dky s ASP 50 Cb 0.01 -2.57 0.58 0.00 1.01 0.00 0.00 42.92 41.95 2dky s ASP 50 CO 0.21 -1.53 1.78 0.40 0.21 0.00 0.00 175.17 176.24 2dky h ILE 51 N 6.70 0.77 -0.77 0.77 1.08 -1.99 -1.47 117.51 122.60 2dky h ILE 51 Ca 0.15 -0.25 0.18 0.00 -0.39 0.00 0.00 64.86 64.54 2dky h ILE 51 Cb 1.01 -0.03 -0.13 0.00 -3.07 0.00 0.00 36.82 34.60 2dky h ILE 51 CO 1.41 0.14 0.01 0.77 -0.69 0.00 0.00 178.15 179.78 2dky h SER 52 N 0.74 -0.36 -0.07 1.72 4.64 -2.02 -0.20 113.55 118.01 2dky h SER 52 Ca 0.49 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 62.01 2dky h SER 52 Cb 0.66 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2dky h SER 52 CO -0.34 -0.19 0.03 -0.07 -0.87 0.00 0.00 176.83 175.39 2dky h LEU 53 N 0.10 0.09 -1.19 5.97 3.38 -1.68 -2.60 115.31 119.39 2dky h LEU 53 Ca 0.43 -0.16 0.34 0.00 0.09 0.00 0.00 57.88 58.58 2dky h LEU 53 Cb 0.76 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 2dky h LEU 53 CO -0.68 0.23 1.16 0.52 0.09 0.00 0.00 178.44 179.75 2dky n VAL 54 N -4.95 0.00 -0.08 1.22 0.31 -0.09 0.36 118.33 115.09 2dky n VAL 54 Ca -0.06 1.19 -0.12 0.00 -0.01 0.00 0.00 64.34 65.34 2dky n VAL 54 Cb 0.11 -2.09 -0.07 0.00 -0.91 0.00 0.00 33.84 30.88 2dky n VAL 54 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2dky h LYS 55 N 0.00 0.00 -0.69 5.55 1.57 -1.39 -2.99 116.57 118.62 2dky h LYS 55 Ca 0.56 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.42 2dky h LYS 55 Cb 2.88 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 35.12 2dky h LYS 55 CO -0.01 0.54 0.36 0.07 -0.57 0.00 0.00 179.45 179.85 2dky h ARG 56 N -1.00 0.63 -0.41 3.15 0.11 0.01 0.25 114.38 117.12 2dky h ARG 56 Ca -0.15 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 59.80 2dky h ARG 56 Cb 0.85 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2dky h ARG 56 CO -0.09 0.42 -0.11 0.93 0.10 0.00 0.00 179.97 181.22 2dky h GLU 57 N 0.65 0.80 -1.37 0.08 4.39 -0.67 -3.15 114.58 115.32 2dky h GLU 57 Ca 0.32 -0.31 -0.69 0.00 0.34 0.00 0.00 59.36 59.02 2dky h GLU 57 Cb 0.26 -0.04 -0.31 0.00 -0.10 0.00 0.00 28.75 28.56 2dky h GLU 57 CO -0.22 0.93 0.58 0.72 -1.16 0.00 0.00 179.01 179.86 2dky n HIS 58 N -4.31 3.11 0.22 4.33 8.25 -0.82 -4.66 115.22 121.35 2dky n HIS 58 Ca -0.01 -2.70 0.07 0.00 -0.26 0.00 0.00 57.72 54.82 2dky n HIS 58 Cb 0.37 -1.09 0.52 0.00 1.12 0.00 0.00 29.99 30.91 2dky n HIS 58 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2dky h ASP 59 N 2.43 0.00 0.04 0.41 1.82 -0.47 -2.10 116.42 118.55 2dky h ASP 59 Ca 0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 2dky h ASP 59 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2dky h ASP 59 CO 1.37 0.23 0.00 2.19 -1.61 0.00 0.00 179.24 181.42 2dky h PHE 60 N 0.00 0.00 -4.19 0.28 -5.15 -1.85 -3.43 116.94 102.61 2dky h PHE 60 Ca -0.00 0.00 -0.49 0.00 -0.20 0.00 0.00 57.97 57.28 2dky h PHE 60 Cb 0.46 0.00 0.13 0.00 0.22 0.00 0.00 35.95 36.76 2dky h PHE 60 CO 0.00 0.00 0.29 -0.51 -2.00 0.00 0.00 178.31 176.09 2dky s LEU 61 N -5.47 2.50 0.07 2.10 1.43 -0.79 -5.03 118.68 113.49 2dky s LEU 61 Ca -0.04 1.48 -0.14 0.00 -1.03 0.00 0.00 54.13 54.40 2dky s LEU 61 Cb 0.10 -4.02 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2dky s LEU 61 CO 0.33 -2.30 0.47 -1.81 0.23 0.00 0.00 176.35 173.27 2dky s ASP 62 N -3.59 6.81 0.26 2.29 1.11 -1.26 -4.89 116.67 117.41 2dky s ASP 62 Ca 0.62 1.00 -0.04 0.00 0.18 0.00 0.00 52.55 54.30 2dky s ASP 62 Cb -0.17 -2.26 0.51 0.00 1.07 0.00 0.00 42.92 42.08 2dky s ASP 62 CO 0.56 0.21 1.42 -1.14 1.18 0.00 0.00 175.17 177.40 2dky n ARG 63 N 1.26 -0.08 -0.22 8.23 0.00 -1.26 0.14 116.66 124.74 2dky n ARG 63 Ca -0.09 1.40 -0.05 0.00 -0.00 0.00 0.00 57.85 59.11 2dky n ARG 63 Cb 0.52 -2.14 0.05 0.00 0.00 0.00 0.00 32.46 30.89 2dky n ARG 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2dky h ASP 64 N 0.00 0.68 0.09 6.15 3.32 -1.99 0.07 116.42 124.73 2dky h ASP 64 Ca 0.48 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.51 2dky h ASP 64 Cb 0.82 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2dky h ASP 64 CO -0.91 0.48 -0.04 0.00 -1.72 0.00 0.00 179.24 177.05 2dky h ALA 65 N 1.25 -0.12 -0.28 3.45 0.00 0.89 -2.64 119.26 121.81 2dky h ALA 65 Ca 0.24 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dky h ALA 65 Cb -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2dky h ALA 65 CO -0.07 -0.51 0.14 0.82 0.00 0.00 0.00 179.25 179.62 2dky h ILE 66 N -0.24 1.00 -0.65 0.00 1.08 -0.73 0.49 117.51 118.45 2dky h ILE 66 Ca -0.01 -0.10 0.14 0.00 -0.39 0.00 0.00 64.86 64.49 2dky h ILE 66 Cb 0.20 0.67 -0.10 0.00 -3.07 0.00 0.00 36.82 34.52 2dky h ILE 66 CO 0.02 0.05 0.07 -0.33 -0.69 0.00 0.00 178.15 177.27 2dky h GLU 67 N 0.30 0.17 0.47 2.37 5.08 -0.91 -0.95 114.58 121.11 2dky h GLU 67 Ca 0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2dky h GLU 67 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dky h GLU 67 CO -0.08 0.11 -0.23 0.00 -1.00 0.00 0.00 179.01 177.82 2dky h ALA 68 N 1.57 -0.65 -0.89 3.43 0.00 -1.09 -3.19 119.26 118.44 2dky h ALA 68 Ca 0.35 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.29 2dky h ALA 68 Cb 0.57 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.44 2dky h ALA 68 CO -0.51 -0.60 -0.25 -0.11 0.00 0.00 0.00 179.25 177.78 2dky n LEU 69 N -5.15 -0.38 -0.28 0.00 7.94 0.13 0.16 117.00 119.42 2dky n LEU 69 Ca -0.08 1.54 0.06 0.00 -1.11 0.00 0.00 56.01 56.41 2dky n LEU 69 Cb 0.25 -0.44 0.20 0.00 0.53 0.00 0.00 43.42 43.96 2dky n LEU 69 CO 0.19 -1.45 1.09 0.00 -1.11 0.00 0.00 177.39 176.11 2dky h ARG 71 N 0.62 0.00 0.02 0.00 2.47 0.16 0.22 114.38 117.87 2dky h ARG 71 Ca 0.43 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.89 2dky h ARG 71 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 2dky h ARG 71 CO -0.34 0.00 -1.41 0.54 0.56 0.00 0.00 179.97 179.32 2dky n ARG 72 N -3.15 0.59 0.35 0.04 3.00 0.25 -3.84 116.66 113.90 2dky n ARG 72 Ca 0.11 0.53 -0.18 0.00 -0.01 0.00 0.00 57.85 58.29 2dky n ARG 72 Cb 1.02 -1.73 -0.09 0.00 0.00 0.00 0.00 32.46 31.66 2dky n ARG 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2dky h LEU 73 N -0.87 -1.24 -0.89 0.55 -0.00 -0.51 -2.58 115.31 109.77 2dky h LEU 73 Ca -0.37 0.08 0.24 0.00 -0.00 0.00 0.00 57.88 57.83 2dky h LEU 73 Cb 1.41 0.39 -0.14 0.00 -0.00 0.00 0.00 40.66 42.31 2dky h LEU 73 CO -0.18 -0.68 0.27 -0.55 -0.00 0.00 0.00 178.44 177.30 2dky h ASN 74 N -1.05 0.05 -0.95 -0.43 7.08 -1.34 0.61 115.58 119.54 2dky h ASN 74 Ca -0.08 0.20 0.18 0.00 -3.08 0.00 0.00 56.30 53.52 2dky h ASN 74 Cb 0.87 0.26 -0.08 0.00 -2.08 0.00 0.00 38.32 37.29 2dky h ASN 74 CO 0.03 -0.15 0.61 0.74 -2.08 0.00 0.00 177.43 176.57 2dky h THR 75 N 0.22 0.73 0.01 6.14 2.02 -1.57 -0.27 112.91 120.19 2dky h THR 75 Ca 0.57 -0.21 -0.26 0.00 0.77 0.00 0.00 66.41 67.28 2dky h THR 75 Cb 1.16 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2dky h THR 75 CO -0.65 0.11 -1.38 -0.07 0.37 0.00 0.00 175.52 173.90 2dky h LEU 76 N 0.63 0.02 -1.50 2.58 3.38 0.27 -2.59 115.31 118.11 2dky h LEU 76 Ca 0.51 -0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.65 2dky h LEU 76 Cb 0.96 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2dky h LEU 76 CO -0.26 1.03 0.60 0.78 0.09 0.00 0.00 178.44 180.68 2dky h ASN 77 N 0.00 0.42 0.04 -0.43 -0.26 0.97 0.21 115.58 116.53 2dky h ASN 77 Ca -0.16 0.04 -0.38 0.00 -0.56 0.00 0.00 56.30 55.25 2dky h ASN 77 Cb 1.90 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 39.07 2dky h ASN 77 CO 0.11 0.16 -2.35 2.29 -1.06 0.00 0.00 177.43 176.58 2dky n LYS 78 N -4.52 0.67 0.00 0.81 2.85 -1.07 -3.93 118.16 112.98 2dky n LYS 78 Ca 0.20 0.14 0.05 0.00 -1.05 0.00 0.00 58.31 57.65 2dky n LYS 78 Cb 0.70 -1.56 0.26 0.00 -0.65 0.00 0.00 35.03 33.78 2dky n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dky n ALA 80 N -1.38 1.36 0.07 0.00 0.00 0.69 -4.43 120.51 116.81 2dky n ALA 80 Ca 0.04 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 2dky n ALA 80 Cb 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 2dky n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dky h VAL 81 N 0.01 1.38 -1.20 0.00 2.07 -1.58 -3.27 116.25 113.65 2dky h VAL 81 Ca -0.52 -2.45 0.38 0.00 0.82 0.00 0.00 66.70 64.93 2dky h VAL 81 Cb 2.02 2.46 -0.08 0.00 -1.52 0.00 0.00 31.29 34.17 2dky h VAL 81 CO -0.01 0.74 0.83 1.15 0.02 0.00 0.00 177.57 180.29 2dky n MET 82 N -3.75 -0.01 -0.33 1.57 0.00 -0.65 0.06 117.12 113.99 2dky n MET 82 Ca -0.08 0.83 0.12 0.00 0.00 0.00 0.00 57.70 58.58 2dky n MET 82 Cb 0.87 -1.77 0.25 0.00 0.00 0.00 0.00 33.22 32.56 2dky n MET 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2dky n LYS 83 N -3.73 -0.08 -0.09 3.17 0.00 -1.24 -1.91 118.16 114.28 2dky n LYS 83 Ca 0.30 1.44 -0.23 0.00 0.00 0.00 0.00 58.31 59.82 2dky n LYS 83 Cb 1.29 -2.25 -0.12 0.00 0.00 0.00 0.00 35.03 33.95 2dky n LYS 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dky n LEU 84 N -5.44 2.17 -3.32 3.14 4.32 0.11 -4.93 117.00 113.05 2dky n LEU 84 Ca 0.21 0.29 -0.47 0.00 -0.02 0.00 0.00 56.01 56.02 2dky n LEU 84 Cb 0.68 -0.95 -0.08 0.00 -1.62 0.00 0.00 43.42 41.44 2dky n LEU 84 CO -0.08 0.55 1.14 1.21 -1.22 0.00 0.00 177.39 178.99 2dky n GLU 85 N -4.06 0.00 -4.19 3.23 0.00 -0.80 -4.71 120.64 110.11 2dky n GLU 85 Ca -0.40 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 56.60 2dky n GLU 85 Cb 0.85 -1.12 -0.07 0.00 0.00 0.00 0.00 31.44 31.09 2dky n GLU 85 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2dky s SER 86 N 3.68 1.06 0.36 4.31 0.01 -1.26 -4.88 113.70 116.98 2dky s SER 86 Ca 0.86 -1.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 2dky s SER 86 Cb -1.12 0.56 0.06 0.00 0.21 0.00 0.00 66.02 65.73 2dky s SER 86 CO 0.54 -1.11 0.83 -0.83 0.41 0.00 0.00 173.24 173.08 2dky s GLY 87 N -3.27 0.33 0.32 3.44 0.00 -1.26 -5.02 107.32 101.86 2dky s GLY 87 Ca 0.36 -0.69 0.26 0.00 0.00 0.00 0.00 44.72 44.65 2dky s GLY 87 CO 0.21 0.10 1.77 -0.56 0.00 0.00 0.00 173.10 174.62 2dky h PRO 88 N 2.00 0.00 -6.59 2.90 0.13 -2.02 -3.46 132.00 124.96 2dky h PRO 88 Ca -0.32 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 2dky h PRO 88 Cb 1.25 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.47 2dky h PRO 88 CO 0.40 0.00 0.42 -1.13 -0.23 0.00 0.00 178.00 177.46 2dky n SER 89 N -2.41 2.26 -4.55 1.44 3.41 -1.26 -4.76 113.62 107.75 2dky n SER 89 Ca 0.02 1.18 -0.24 0.00 -0.26 0.00 0.00 58.87 59.56 2dky n SER 89 Cb 0.24 -1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 62.73 2dky n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dky n SER 90 N 1.41 1.86 0.00 4.04 2.88 -1.26 -5.00 113.62 117.55 2dky n SER 90 Ca 0.09 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 2dky n SER 90 Cb 0.33 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42