#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dky s SER 2 N 0.00 0.27 -0.09 1.61 0.01 -1.26 -5.07 113.70 109.17 2dky s SER 2 Ca 0.00 -0.74 -0.23 0.00 1.31 0.00 0.00 55.95 56.28 2dky s SER 2 Cb 0.00 0.25 -0.29 0.00 0.21 0.00 0.00 66.02 66.20 2dky s SER 2 CO 0.00 -0.62 0.77 -1.28 0.41 0.00 0.00 173.24 172.53 2dky h SER 3 N 3.17 0.29 0.00 2.44 0.87 -2.10 -3.49 113.55 114.73 2dky h SER 3 Ca -0.34 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.29 2dky h SER 3 Cb 1.17 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2dky h SER 3 CO 0.58 1.31 0.00 0.61 -0.53 0.00 0.00 176.83 178.80 2dky n GLY 4 N 1.65 1.14 2.19 5.77 0.00 -1.26 -5.07 105.19 109.60 2dky n GLY 4 Ca -0.15 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 2dky n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dky n SER 5 N 0.00 4.28 -0.34 1.61 2.88 -1.26 -4.88 113.62 115.91 2dky n SER 5 Ca 0.00 -3.42 0.11 0.00 -1.33 0.00 0.00 58.87 54.23 2dky n SER 5 Cb 0.00 -0.37 0.22 0.00 -0.75 0.00 0.00 64.21 63.31 2dky n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dky n SER 6 N -0.68 -0.21 0.00 -3.46 3.41 -1.26 -4.92 113.62 106.50 2dky n SER 6 Ca 0.37 1.66 0.00 0.00 -0.26 0.00 0.00 58.87 60.64 2dky n SER 6 Cb 0.93 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2dky n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dky n GLY 7 N -1.54 0.22 3.38 5.00 0.00 -1.26 -5.07 105.19 105.91 2dky n GLY 7 Ca 0.20 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 2dky n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dky s MET 8 N 0.00 1.42 0.10 1.61 -1.94 -1.26 -5.17 119.30 114.07 2dky s MET 8 Ca 0.00 -1.68 -0.01 0.00 -1.71 0.00 0.00 55.69 52.29 2dky s MET 8 Cb 0.00 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 2dky s MET 8 CO 0.00 0.09 0.01 0.00 -0.01 0.00 0.00 175.02 175.11 2dky s ARG 10 N -3.97 2.71 -0.22 0.00 0.52 -1.26 -5.12 118.95 111.61 2dky s ARG 10 Ca 0.16 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2dky s ARG 10 Cb 0.07 -2.46 0.05 0.00 0.52 0.00 0.00 34.95 33.14 2dky s ARG 10 CO -0.03 0.12 -0.08 -1.59 0.02 0.00 0.00 175.30 173.74 2dky s LYS 11 N -3.97 1.85 0.07 3.54 -2.85 -1.26 -5.12 119.74 112.01 2dky s LYS 11 Ca 0.40 -0.98 0.10 0.00 -1.00 0.00 0.00 55.97 54.49 2dky s LYS 11 Cb -0.06 -2.56 -0.03 0.00 -2.06 0.00 0.00 37.83 33.12 2dky s LYS 11 CO 0.26 -0.53 -0.26 0.15 0.10 0.00 0.00 175.35 175.07 2dky s LYS 12 N 1.36 1.62 -1.00 1.78 3.01 -1.26 -5.06 119.74 120.19 2dky s LYS 12 Ca -0.05 -1.17 -0.24 0.00 -1.01 0.00 0.00 55.97 53.51 2dky s LYS 12 Cb -0.18 -1.89 -0.06 0.00 -1.01 0.00 0.00 37.83 34.68 2dky s LYS 12 CO -0.07 0.48 1.94 -1.25 0.51 0.00 0.00 175.35 176.96 2dky s PRO 13 N -1.50 2.53 -0.30 -1.68 0.04 -1.26 -4.63 135.00 128.19 2dky s PRO 13 Ca 0.12 -0.60 -0.17 0.00 0.04 0.00 0.00 61.00 60.39 2dky s PRO 13 Cb -0.10 -5.13 0.18 0.00 0.04 0.00 0.00 34.50 29.50 2dky s PRO 13 CO 0.03 -3.60 1.14 0.34 0.04 0.00 0.00 177.00 174.95 2dky s ASP 14 N 7.50 -0.31 -1.48 6.66 2.15 -1.26 -4.96 116.67 124.97 2dky s ASP 14 Ca 0.70 0.38 -0.19 0.00 0.43 0.00 0.00 52.55 53.87 2dky s ASP 14 Cb -0.05 1.34 0.19 0.00 -0.30 0.00 0.00 42.92 44.10 2dky s ASP 14 CO 0.04 -0.06 0.47 0.35 -0.17 0.00 0.00 175.17 175.80 2dky n THR 15 N 4.87 0.00 -0.03 1.71 -2.24 -1.26 -4.78 114.28 112.55 2dky n THR 15 Ca -0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 2dky n THR 15 Cb 0.54 -0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 2dky n THR 15 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2dky h MET 16 N -0.68 -0.03 0.05 -0.78 4.05 -1.93 -3.27 114.93 112.34 2dky h MET 16 Ca -0.47 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2dky h MET 16 Cb 1.15 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 2dky h MET 16 CO 0.71 0.64 -0.02 0.82 0.23 0.00 0.00 176.91 179.28 2dky h ILE 17 N -0.73 1.21 -0.71 1.77 1.08 -1.96 -3.33 117.51 114.84 2dky h ILE 17 Ca -0.00 -1.64 0.09 0.00 -0.39 0.00 0.00 64.86 62.92 2dky h ILE 17 Cb 0.68 2.17 -0.10 0.00 -3.07 0.00 0.00 36.82 36.49 2dky h ILE 17 CO 0.00 0.37 -0.34 -0.11 -0.69 0.00 0.00 178.15 177.38 2dky n LEU 18 N -4.76 -0.59 -0.32 1.44 0.00 -1.26 0.23 117.00 111.74 2dky n LEU 18 Ca -0.08 1.26 0.12 0.00 0.00 0.00 0.00 56.01 57.31 2dky n LEU 18 Cb 0.32 -0.24 0.29 0.00 0.00 0.00 0.00 43.42 43.80 2dky n LEU 18 CO 0.27 -1.09 1.13 0.71 0.00 0.00 0.00 177.39 178.41 2dky h THR 19 N 0.00 0.65 -0.79 1.96 1.35 -1.69 -0.13 112.91 114.27 2dky h THR 19 Ca 0.19 -0.22 0.17 0.00 -0.55 0.00 0.00 66.41 66.00 2dky h THR 19 Cb 0.37 -0.03 -0.11 0.00 -1.73 0.00 0.00 68.15 66.65 2dky h THR 19 CO -0.69 0.12 0.28 -0.61 -0.25 0.00 0.00 175.52 174.36 2dky h GLN 20 N 0.63 0.36 0.71 4.72 4.15 0.28 0.75 115.11 126.72 2dky h GLN 20 Ca 0.54 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.91 2dky h GLN 20 Cb 0.88 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.50 2dky h GLN 20 CO -0.41 0.24 -0.34 0.82 -1.93 0.00 0.00 178.83 177.20 2dky h ILE 21 N 0.37 0.00 -0.77 2.39 5.03 -0.87 0.19 117.51 123.86 2dky h ILE 21 Ca 0.45 -0.29 0.18 0.00 -0.12 0.00 0.00 64.86 65.08 2dky h ILE 21 Cb 0.76 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.42 2dky h ILE 21 CO -0.47 0.00 0.07 -0.33 -0.68 0.00 0.00 178.15 176.73 2dky h GLU 22 N -1.25 0.14 0.45 2.37 4.39 -1.17 -0.82 114.58 118.68 2dky h GLU 22 Ca -0.10 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2dky h GLU 22 Cb 0.74 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2dky h GLU 22 CO 0.16 0.09 -0.21 0.00 -1.16 0.00 0.00 179.01 177.89 2dky h ALA 23 N 1.70 -0.75 -0.87 3.43 0.00 -0.86 -3.03 119.26 118.88 2dky h ALA 23 Ca 0.44 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.44 2dky h ALA 23 Cb 0.79 0.23 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 2dky h ALA 23 CO -0.64 -0.71 -0.02 1.17 0.00 0.00 0.00 179.25 179.05 2dky n LYS 24 N -4.46 -0.07 0.09 0.00 0.00 0.66 0.67 118.16 115.06 2dky n LYS 24 Ca -0.07 1.30 -0.12 0.00 0.00 0.00 0.00 58.31 59.42 2dky n LYS 24 Cb 0.24 -2.05 -0.05 0.00 0.00 0.00 0.00 35.03 33.16 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 -0.32 0.40 1.64 5.08 -1.19 0.17 114.58 120.36 2dky h GLU 25 Ca 0.51 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 2dky h GLU 25 Cb 1.01 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2dky h GLU 25 CO -0.83 -0.22 -0.27 0.00 -1.00 0.00 0.00 179.01 176.70 2dky h ALA 26 N 0.52 -0.65 0.28 3.43 0.00 0.37 -2.45 119.26 120.75 2dky h ALA 26 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dky h ALA 26 Cb 0.37 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2dky h ALA 26 CO -0.12 -0.89 -0.47 0.00 0.00 0.00 0.00 179.25 177.77 2dky h ASP 28 N -0.81 0.45 0.09 0.00 3.58 -0.62 0.13 116.42 119.24 2dky h ASP 28 Ca -0.02 0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2dky h ASP 28 Cb 0.77 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2dky h ASP 28 CO -0.17 -0.23 -0.04 -0.25 -2.88 0.00 0.00 179.24 175.66 2dky h TRP 29 N 0.21 -0.11 -0.99 0.28 7.01 -0.79 0.35 115.95 121.91 2dky h TRP 29 Ca 0.77 -0.00 0.32 0.00 2.11 0.00 0.00 58.89 62.09 2dky h TRP 29 Cb 1.89 0.04 -0.15 0.00 -2.10 0.00 0.00 29.16 28.84 2dky h TRP 29 CO -0.01 0.37 0.52 -0.07 -2.79 0.00 0.00 178.44 176.46 2dky h LEU 30 N -0.67 0.41 0.00 0.65 3.38 0.10 1.39 115.31 120.58 2dky h LEU 30 Ca -0.01 0.20 -0.25 0.00 0.09 0.00 0.00 57.88 57.91 2dky h LEU 30 Cb 0.53 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2dky h LEU 30 CO 0.02 -0.18 -1.60 -1.14 0.09 0.00 0.00 178.44 175.64 2dky n ARG 31 N -5.10 0.63 -0.40 1.13 0.63 -0.77 -0.85 116.66 111.93 2dky n ARG 31 Ca 0.31 0.27 0.06 0.00 -0.92 0.00 0.00 57.85 57.57 2dky n ARG 31 Cb 0.98 -1.80 0.23 0.00 0.45 0.00 0.00 32.46 32.31 2dky n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dky n ALA 32 N -2.50 2.91 -0.01 5.13 0.00 0.13 -4.02 120.51 122.15 2dky n ALA 32 Ca -0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 53.44 52.29 2dky n ALA 32 Cb 0.98 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 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 0.60 0.12 0.00 0.00 5.66 0.43 -4.90 114.28 116.19 2dky n THR 33 Ca 0.16 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 2dky n THR 33 Cb 0.62 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 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 3.25 0.30 3.12 1.09 0.00 -1.23 -5.08 105.19 106.64 2dky n GLY 34 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 3.89 -1.52 1.61 0.08 -0.03 -4.88 117.98 117.14 2dky s PHE 35 Ca 0.00 -2.99 0.15 0.00 0.12 0.00 0.00 56.93 54.21 2dky s PHE 35 Cb 0.00 -3.27 0.78 0.00 -0.57 0.00 0.00 43.02 39.95 2dky s PHE 35 CO 0.00 -0.76 1.40 -0.35 -0.10 0.00 0.00 175.22 175.41 2dky n PRO 36 N 2.43 0.25 -0.02 0.24 -0.04 -1.23 -2.44 135.00 134.20 2dky n PRO 36 Ca 0.21 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2dky n PRO 36 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2dky n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dky n GLN 37 N -1.24 0.67 0.20 0.54 10.64 -1.26 -3.54 117.38 123.38 2dky n GLN 37 Ca 0.08 0.28 0.08 0.00 -1.83 0.00 0.00 57.00 55.61 2dky n GLN 37 Cb 0.11 -1.77 0.35 0.00 -0.86 0.00 0.00 30.24 28.07 2dky n GLN 37 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 2dky h TYR 38 N 0.02 0.00 0.00 2.61 0.05 -1.78 -2.42 116.97 115.45 2dky h TYR 38 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2dky h TYR 38 Cb 2.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.76 2dky h TYR 38 CO 0.02 0.30 -0.47 0.00 -1.05 0.00 0.00 178.16 176.96 2dky h ALA 39 N 1.70 0.75 0.07 3.88 0.00 -1.69 -3.33 119.26 120.65 2dky h ALA 39 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 2dky h ALA 39 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dky h ALA 39 CO 0.04 0.00 -1.64 0.37 0.00 0.00 0.00 179.25 178.02 2dky h GLN 40 N 0.00 0.15 0.38 0.00 5.75 -1.55 -3.29 115.11 116.55 2dky h GLN 40 Ca 0.00 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 2dky h GLN 40 Cb 0.95 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 2dky h GLN 40 CO 0.00 0.93 -0.47 -0.07 -2.65 0.00 0.00 178.83 176.56 2dky h LEU 41 N 0.04 -1.32 -1.12 -2.39 3.38 -1.54 -1.79 115.31 110.57 2dky h LEU 41 Ca -0.28 0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.90 2dky h LEU 41 Cb 2.00 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 43.13 2dky h LEU 41 CO 0.12 -0.60 0.60 0.22 0.09 0.00 0.00 178.44 178.87 2dky h TYR 42 N -0.89 1.05 -0.05 1.13 5.03 -1.75 0.49 116.97 122.00 2dky h TYR 42 Ca -0.04 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2dky h TYR 42 Cb 0.80 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 2dky h TYR 42 CO -0.29 0.49 0.04 0.93 -1.32 0.00 0.00 178.16 178.02 2dky h GLU 43 N 0.98 0.00 -0.61 1.82 4.39 -1.48 0.13 114.58 119.81 2dky h GLU 43 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 2dky h GLU 43 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2dky h GLU 43 CO -0.19 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.19 2dky n ASP 44 N -4.25 3.68 -3.72 1.42 2.03 0.12 -4.92 116.55 110.91 2dky n ASP 44 Ca -0.02 -2.28 -0.25 0.00 0.52 0.00 0.00 54.79 52.76 2dky n ASP 44 Cb 0.14 -0.48 0.05 0.00 -0.72 0.00 0.00 41.12 40.11 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dky n PHE 45 N 0.90 -2.40 -0.04 -0.67 3.72 0.45 -4.89 117.46 114.52 2dky n PHE 45 Ca 0.20 0.93 -0.09 0.00 -0.05 0.00 0.00 57.45 58.44 2dky n PHE 45 Cb 0.68 -4.53 -0.14 0.00 -0.94 0.00 0.00 39.48 34.54 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 -4.65 0.74 -4.61 4.37 4.77 -0.93 -4.95 117.00 111.74 2dky n LEU 46 Ca -0.07 0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.91 2dky n LEU 46 Cb 0.58 0.21 0.17 0.00 -2.33 0.00 0.00 43.42 42.05 2dky n LEU 46 CO 0.69 0.43 0.53 0.49 -1.33 0.00 0.00 177.39 178.19 2dky n PHE 47 N -2.99 0.30 -1.50 -1.77 3.01 -1.26 -4.61 117.46 108.64 2dky n PHE 47 Ca -0.21 0.33 -0.32 0.00 1.01 0.00 0.00 57.45 58.26 2dky n PHE 47 Cb 1.08 -1.94 0.07 0.00 -0.01 0.00 0.00 39.48 38.68 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 -4.44 2.52 0.39 -1.08 0.04 -1.26 -4.82 135.00 126.36 2dky s PRO 48 Ca 0.65 1.28 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2dky s PRO 48 Cb -0.23 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 2dky s PRO 48 CO 0.60 -1.45 0.33 0.96 0.04 0.00 0.00 177.00 177.48 2dky s ILE 49 N -2.63 2.83 -0.94 0.56 -4.36 -1.26 -5.04 121.20 110.36 2dky s ILE 49 Ca 0.64 -1.40 -0.24 0.00 -0.26 0.00 0.00 60.65 59.39 2dky s ILE 49 Cb -0.19 -3.04 0.02 0.00 1.25 0.00 0.00 42.46 40.50 2dky s ILE 49 CO 0.49 -0.05 1.59 -1.81 0.24 0.00 0.00 174.94 175.40 2dky s ASP 50 N -4.06 6.02 0.09 4.36 1.01 -1.26 -4.84 116.67 117.99 2dky s ASP 50 Ca 0.45 -1.05 -0.25 0.00 0.71 0.00 0.00 52.55 52.42 2dky s ASP 50 Cb -0.03 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.20 2dky s ASP 50 CO 0.27 -1.93 1.70 0.40 0.21 0.00 0.00 175.17 175.81 2dky h ILE 51 N 6.86 0.77 -0.37 0.77 1.08 -1.98 -1.59 117.51 123.05 2dky h ILE 51 Ca 0.10 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.68 2dky h ILE 51 Cb 1.02 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2dky h ILE 51 CO 1.34 0.00 0.39 0.77 -0.69 0.00 0.00 178.15 179.96 2dky h SER 52 N -0.25 0.00 0.05 1.72 4.64 -2.01 -1.51 113.55 116.19 2dky h SER 52 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2dky h SER 52 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2dky h SER 52 CO -0.01 0.00 -0.02 0.25 -0.87 0.00 0.00 176.83 176.18 2dky h LEU 53 N 0.00 -0.05 -1.69 5.97 7.12 -1.71 -2.43 115.31 122.52 2dky h LEU 53 Ca 0.17 -0.61 0.12 0.00 0.13 0.00 0.00 57.88 57.69 2dky h LEU 53 Cb 0.95 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.08 2dky h LEU 53 CO -0.00 0.65 0.60 0.58 -0.13 0.00 0.00 178.44 180.15 2dky h VAL 54 N -0.83 0.20 0.00 1.05 2.07 -0.68 0.11 116.25 118.18 2dky h VAL 54 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2dky h VAL 54 Cb 0.66 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2dky h VAL 54 CO 0.01 0.00 -0.53 0.11 0.02 0.00 0.00 177.57 177.18 2dky h LYS 55 N 0.00 0.00 -0.90 1.57 1.57 -1.51 -2.77 116.57 114.53 2dky h LYS 55 Ca 0.20 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.11 2dky h LYS 55 Cb 1.41 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.63 2dky h LYS 55 CO -0.00 0.43 0.51 0.07 -0.57 0.00 0.00 179.45 179.90 2dky h ARG 56 N -1.00 0.75 -0.06 3.15 0.11 -0.77 1.18 114.38 117.74 2dky h ARG 56 Ca -0.10 -0.05 -0.18 0.00 0.10 0.00 0.00 59.98 59.76 2dky h ARG 56 Cb 0.70 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 2dky h ARG 56 CO -0.06 0.50 -0.73 0.93 0.10 0.00 0.00 179.97 180.71 2dky h GLU 57 N 0.78 0.35 -0.71 0.08 4.39 -1.00 -3.15 114.58 115.33 2dky h GLU 57 Ca 0.46 -0.30 -0.34 0.00 0.34 0.00 0.00 59.36 59.53 2dky h GLU 57 Cb 0.56 0.06 -0.20 0.00 -0.10 0.00 0.00 28.75 29.06 2dky h GLU 57 CO -0.31 0.94 0.32 0.72 -1.16 0.00 0.00 179.01 179.52 2dky n HIS 58 N -3.82 2.20 0.15 4.33 8.25 -0.29 -4.63 115.22 121.41 2dky n HIS 58 Ca -0.04 -1.66 0.19 0.00 -0.26 0.00 0.00 57.72 55.95 2dky n HIS 58 Cb 0.71 -0.73 0.76 0.00 1.12 0.00 0.00 29.99 31.85 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 1.21 0.00 -0.82 0.41 3.58 0.14 -0.23 116.42 120.71 2dky h ASP 59 Ca 0.42 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.92 2dky h ASP 59 Cb 2.32 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 43.31 2dky h ASP 59 CO 0.77 0.00 0.51 2.19 -2.88 0.00 0.00 179.24 179.84 2dky h PHE 60 N 0.00 0.96 -2.78 0.28 -0.00 -1.83 -3.43 116.94 110.13 2dky h PHE 60 Ca 0.15 0.03 -0.48 0.00 -0.00 0.00 0.00 57.97 57.66 2dky h PHE 60 Cb 0.96 -0.31 0.23 0.00 -0.00 0.00 0.00 35.95 36.82 2dky h PHE 60 CO 0.00 0.51 -0.83 1.28 -0.00 0.00 0.00 178.31 179.27 2dky n LEU 61 N -4.62 -1.44 -4.94 2.10 4.77 -0.10 -5.00 117.00 107.77 2dky n LEU 61 Ca 0.11 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.89 2dky n LEU 61 Cb 0.14 -1.07 0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2dky n LEU 61 CO 0.32 -3.28 0.44 -1.81 -1.33 0.00 0.00 177.39 171.72 2dky s ASP 62 N -1.94 5.46 0.18 -1.43 1.01 -1.26 -4.86 116.67 113.82 2dky s ASP 62 Ca 0.57 0.39 -0.14 0.00 0.71 0.00 0.00 52.55 54.07 2dky s ASP 62 Cb -0.16 -1.37 0.15 0.00 1.01 0.00 0.00 42.92 42.55 2dky s ASP 62 CO 0.66 -1.07 1.70 -0.09 0.21 0.00 0.00 175.17 176.59 2dky h ARG 63 N -0.03 0.15 0.35 8.23 2.43 -1.95 0.14 114.38 123.72 2dky h ARG 63 Ca -0.45 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2dky h ARG 63 Cb 1.27 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2dky h ARG 63 CO 0.58 0.10 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.53 2dky h ASP 64 N 0.16 -0.40 -0.50 -3.80 3.32 -1.99 0.51 116.42 113.72 2dky h ASP 64 Ca 0.22 -0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.33 2dky h ASP 64 Cb 0.31 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 2dky h ASP 64 CO -0.33 -0.23 0.11 0.00 -1.72 0.00 0.00 179.24 177.07 2dky h ALA 65 N 0.08 0.57 0.71 3.45 0.00 -1.85 -0.23 119.26 121.98 2dky h ALA 65 Ca -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dky h ALA 65 Cb 0.41 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2dky h ALA 65 CO 0.08 -0.30 -0.34 0.82 0.00 0.00 0.00 179.25 179.51 2dky h ILE 66 N 0.25 0.22 -0.67 0.00 1.08 -0.61 -1.37 117.51 116.41 2dky h ILE 66 Ca 0.25 -0.17 0.14 0.00 -0.39 0.00 0.00 64.86 64.70 2dky h ILE 66 Cb 0.34 0.26 -0.12 0.00 -3.07 0.00 0.00 36.82 34.23 2dky h ILE 66 CO -0.32 0.02 -0.05 -0.33 -0.69 0.00 0.00 178.15 176.77 2dky h GLU 67 N -1.08 0.07 -0.33 2.37 4.39 -0.66 0.26 114.58 119.59 2dky h GLU 67 Ca -0.10 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2dky h GLU 67 Cb 0.75 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2dky h GLU 67 CO 0.16 0.05 0.19 0.00 -1.16 0.00 0.00 179.01 178.25 2dky h ALA 68 N 1.64 0.41 -0.59 3.43 0.00 -0.98 0.18 119.26 123.35 2dky h ALA 68 Ca 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2dky h ALA 68 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2dky h ALA 68 CO -0.62 -0.17 0.33 1.25 0.00 0.00 0.00 179.25 180.04 2dky h LEU 69 N 0.39 0.74 -0.53 0.00 5.85 0.13 -2.79 115.31 119.09 2dky h LEU 69 Ca 0.13 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 2dky h LEU 69 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2dky h LEU 69 CO -0.06 0.61 -0.01 0.00 -0.34 0.00 0.00 178.44 178.64 2dky h ARG 71 N 0.82 0.00 0.00 0.00 3.08 -0.37 0.26 114.38 118.18 2dky h ARG 71 Ca 0.15 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.88 2dky h ARG 71 Cb 0.54 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 2dky h ARG 71 CO 0.03 0.00 -1.75 0.54 -1.07 0.00 0.00 179.97 177.72 2dky n ARG 72 N -3.12 0.58 -0.01 0.04 3.00 -0.99 -3.80 116.66 112.36 2dky n ARG 72 Ca 0.07 0.46 -0.09 0.00 -0.01 0.00 0.00 57.85 58.27 2dky n ARG 72 Cb 0.84 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 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 -0.96 -0.61 0.00 0.55 3.38 -0.80 -2.56 115.31 114.30 2dky h LEU 73 Ca -0.48 0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.63 2dky h LEU 73 Cb 1.44 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.43 2dky h LEU 73 CO -0.28 -0.24 -0.25 -0.55 0.09 0.00 0.00 178.44 177.20 2dky h ASN 74 N -0.24 -0.74 -1.19 -0.43 7.08 -1.26 0.18 115.58 118.98 2dky h ASN 74 Ca 0.11 0.10 0.35 0.00 -3.08 0.00 0.00 56.30 53.77 2dky h ASN 74 Cb 0.40 0.30 -0.05 0.00 -2.08 0.00 0.00 38.32 36.89 2dky h ASN 74 CO -0.29 -0.32 0.96 0.74 -2.08 0.00 0.00 177.43 176.44 2dky h THR 75 N -0.39 0.26 0.08 6.14 2.02 -1.56 0.43 112.91 119.88 2dky h THR 75 Ca 0.06 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.90 2dky h THR 75 Cb 0.47 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2dky h THR 75 CO -0.22 0.00 -1.95 0.18 0.37 0.00 0.00 175.52 173.90 2dky n LEU 76 N -3.91 2.06 -0.17 2.58 4.77 -0.21 -3.03 117.00 119.10 2dky n LEU 76 Ca 0.26 0.25 0.29 0.00 -0.03 0.00 0.00 56.01 56.78 2dky n LEU 76 Cb 1.34 -0.68 0.71 0.00 -2.33 0.00 0.00 43.42 42.47 2dky n LEU 76 CO 0.37 0.71 1.27 0.78 -1.33 0.00 0.00 177.39 179.18 2dky h ASN 77 N 0.05 0.00 0.05 -1.43 -0.26 0.27 0.30 115.58 114.57 2dky h ASN 77 Ca -0.39 0.00 -0.37 0.00 -0.56 0.00 0.00 56.30 54.97 2dky h ASN 77 Cb 2.03 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 39.23 2dky h ASN 77 CO 0.08 0.00 -2.33 2.29 -1.06 0.00 0.00 177.43 176.40 2dky n LYS 78 N -3.97 0.67 0.00 0.81 2.85 -1.05 -3.84 118.16 113.63 2dky n LYS 78 Ca 0.19 0.12 0.09 0.00 -1.05 0.00 0.00 58.31 57.65 2dky n LYS 78 Cb 1.04 -1.56 0.46 0.00 -0.65 0.00 0.00 35.03 34.32 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 -1.31 3.37 0.00 0.00 0.00 0.87 -4.55 120.51 118.89 2dky n ALA 80 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2dky n ALA 80 Cb 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2dky n ALA 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dky n VAL 81 N -1.01 0.00 -0.59 0.00 3.14 -0.91 -4.62 118.33 114.33 2dky n VAL 81 Ca 0.03 -0.27 0.48 0.00 -2.96 0.00 0.00 64.34 61.62 2dky n VAL 81 Cb 0.20 0.87 0.78 0.00 -1.06 0.00 0.00 33.84 34.63 2dky n VAL 81 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dky h MET 82 N 0.00 0.00 -0.61 1.45 3.00 0.91 0.13 114.93 119.81 2dky h MET 82 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 59.70 59.82 2dky h MET 82 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.60 31.48 2dky h MET 82 CO 0.00 0.00 -0.24 -0.22 0.00 0.00 0.00 176.91 176.45 2dky h LYS 83 N 0.00 -0.08 -0.02 -0.10 3.11 -1.85 -1.27 116.57 116.36 2dky h LYS 83 Ca 0.83 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.71 2dky h LYS 83 Cb 3.42 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 34.62 2dky h LYS 83 CO -0.01 -0.05 -0.27 -0.07 -2.81 0.00 0.00 179.45 176.24 2dky h LEU 84 N -0.08 -0.81 -7.60 5.20 -0.00 -1.12 -3.43 115.31 107.47 2dky h LEU 84 Ca 0.28 0.11 -0.22 0.00 -0.00 0.00 0.00 57.88 58.05 2dky h LEU 84 Cb 0.51 0.33 -0.28 0.00 -0.00 0.00 0.00 40.66 41.22 2dky h LEU 84 CO -0.67 -0.34 -0.62 -1.61 -0.00 0.00 0.00 178.44 175.20 2dky s GLU 85 N -6.05 0.09 0.09 1.13 0.41 -0.48 -5.07 118.70 108.82 2dky s GLU 85 Ca -0.15 0.17 -0.23 0.00 -0.41 0.00 0.00 54.97 54.35 2dky s GLU 85 Cb 0.09 -0.01 -0.07 0.00 -1.78 0.00 0.00 34.13 32.36 2dky s GLU 85 CO 0.66 -0.05 1.38 0.66 -0.49 0.00 0.00 175.26 177.42 2dky h SER 86 N 6.30 -1.32 0.00 -0.19 4.64 -1.83 -3.39 113.55 117.75 2dky h SER 86 Ca -0.29 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2dky h SER 86 Cb 1.19 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2dky h SER 86 CO 0.45 -0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 2dky n GLY 87 N -1.25 0.55 3.56 -0.77 0.00 -1.26 -4.84 105.19 101.18 2dky n GLY 87 Ca -0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 2dky n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dky s PRO 88 N -0.63 2.58 -1.15 1.61 0.04 -1.26 -4.91 135.00 131.28 2dky s PRO 88 Ca 0.00 0.03 -0.15 0.00 0.04 0.00 0.00 61.00 60.92 2dky s PRO 88 Cb 0.00 -4.82 0.15 0.00 0.04 0.00 0.00 34.50 29.87 2dky s PRO 88 CO 0.00 -3.15 1.38 -1.12 0.04 0.00 0.00 177.00 174.15 2dky s SER 89 N 8.07 6.94 -0.99 6.66 0.01 -1.26 -4.31 113.70 128.83 2dky s SER 89 Ca 0.69 -2.71 -0.05 0.00 1.31 0.00 0.00 55.95 55.19 2dky s SER 89 Cb -0.09 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.73 2dky s SER 89 CO 0.07 -0.86 0.85 -0.24 0.41 0.00 0.00 173.24 173.47 2dky n SER 90 N 6.09 -4.54 0.00 2.44 2.88 -1.26 -5.35 113.62 113.89 2dky n SER 90 Ca 0.34 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2dky n SER 90 Cb 0.45 -3.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 2dky n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42