#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khe n GLY 2 N 0.00 -2.57 3.40 -5.12 0.00 -1.26 -5.01 105.19 94.63 2khe n GLY 2 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 2khe n GLY 2 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khe s TYR 3 N -2.96 2.21 0.31 1.61 1.51 -1.26 -4.96 117.35 113.82 2khe s TYR 3 Ca 0.00 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.47 2khe s TYR 3 Cb 0.00 -1.11 -0.09 0.00 -0.11 0.00 0.00 41.96 40.65 2khe s TYR 3 CO 0.00 0.46 0.84 0.50 -1.11 0.00 0.00 175.55 176.24 2khe s ARG 4 N -2.62 4.31 -0.43 -0.62 6.06 -1.01 -4.86 118.95 119.78 2khe s ARG 4 Ca 0.19 1.03 -0.08 0.00 -2.50 0.00 0.00 55.73 54.37 2khe s ARG 4 Cb -0.08 -2.64 0.10 0.00 0.06 0.00 0.00 34.95 32.39 2khe s ARG 4 CO 0.09 0.23 0.28 0.42 -2.50 0.00 0.00 175.30 173.82 2khe s ILE 5 N -1.77 4.11 0.27 4.11 -1.09 -1.26 -1.36 121.20 124.22 2khe s ILE 5 Ca 0.51 -1.61 0.11 0.00 -2.23 0.00 0.00 60.65 57.43 2khe s ILE 5 Cb -0.15 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 2khe s ILE 5 CO 0.20 -0.62 -0.10 -1.61 -1.23 0.00 0.00 174.94 171.58 2khe s GLU 6 N 1.37 2.00 -0.02 2.79 0.41 0.77 -5.02 118.70 120.99 2khe s GLU 6 Ca 0.04 -1.60 0.01 0.00 -0.41 0.00 0.00 54.97 53.02 2khe s GLU 6 Cb -0.24 -1.97 0.02 0.00 -1.78 0.00 0.00 34.13 30.16 2khe s GLU 6 CO 0.00 0.34 -0.02 -0.06 -0.49 0.00 0.00 175.26 175.04 2khe s PHE 7 N -2.42 0.38 0.96 1.61 0.40 -1.26 -1.16 117.98 116.49 2khe s PHE 7 Ca 0.31 -0.05 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2khe s PHE 7 Cb -0.06 -0.39 0.17 0.00 0.51 0.00 0.00 43.02 43.25 2khe s PHE 7 CO 0.18 -0.10 1.11 -0.51 0.70 0.00 0.00 175.22 176.59 2khe s ASP 8 N 0.70 2.60 0.14 1.36 1.01 -0.66 -4.80 116.67 117.02 2khe s ASP 8 Ca -0.07 1.99 0.19 0.00 0.71 0.00 0.00 52.55 55.36 2khe s ASP 8 Cb -0.11 -2.49 0.80 0.00 1.01 0.00 0.00 42.92 42.14 2khe s ASP 8 CO -0.01 -3.27 1.59 -0.81 0.21 0.00 0.00 175.17 172.88 2khe n PRO 9 N -4.33 0.10 -0.12 8.23 -0.04 -1.26 -2.02 135.00 135.56 2khe n PRO 9 Ca 0.09 0.35 -0.27 0.00 -0.04 0.00 0.00 63.50 63.63 2khe n PRO 9 Cb 0.53 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 2khe n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2khe n ARG 10 N -1.89 0.58 -0.16 0.54 5.12 -1.26 -4.34 116.66 115.26 2khe n ARG 10 Ca 0.03 0.38 -0.00 0.00 -1.93 0.00 0.00 57.85 56.32 2khe n ARG 10 Cb 0.20 -1.59 0.25 0.00 -1.16 0.00 0.00 32.46 30.15 2khe n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2khe h ALA 11 N -0.78 1.40 -0.71 7.54 0.00 -1.72 -2.41 119.26 122.58 2khe h ALA 11 Ca -0.57 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.37 2khe h ALA 11 Cb 1.51 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 2khe h ALA 11 CO -0.34 0.49 0.21 0.93 0.00 0.00 0.00 179.25 180.55 2khe h GLU 12 N 0.88 0.32 -0.09 0.00 4.39 -1.62 0.20 114.58 118.67 2khe h GLU 12 Ca 0.22 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 2khe h GLU 12 Cb 0.04 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2khe h GLU 12 CO -0.03 0.21 -0.25 0.87 -1.16 0.00 0.00 179.01 178.65 2khe h LYS 13 N 0.33 0.33 -0.06 2.33 1.79 -1.66 -0.94 116.57 118.69 2khe h LYS 13 Ca 0.39 -0.23 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 2khe h LYS 13 Cb 0.62 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.26 2khe h LYS 13 CO -0.44 0.85 -0.22 0.93 -1.08 0.00 0.00 179.45 179.48 2khe h GLU 14 N -0.14 -0.31 -0.35 3.15 5.08 -0.87 -0.56 114.58 120.58 2khe h GLU 14 Ca -0.01 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2khe h GLU 14 Cb 0.87 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2khe h GLU 14 CO 0.05 -0.21 0.02 1.25 -1.00 0.00 0.00 179.01 179.12 2khe h LEU 15 N -0.32 0.60 -2.27 1.33 6.46 -0.72 -2.10 115.31 118.29 2khe h LEU 15 Ca 0.08 -0.30 0.04 0.00 -0.12 0.00 0.00 57.88 57.59 2khe h LEU 15 Cb 0.43 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2khe h LEU 15 CO -0.25 0.74 0.22 -0.33 -0.62 0.00 0.00 178.44 178.20 2khe h GLU 16 N 0.43 0.00 0.00 1.25 5.08 -0.78 0.12 114.58 120.68 2khe h GLU 16 Ca 0.10 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.28 2khe h GLU 16 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2khe h GLU 16 CO 0.01 0.00 -1.38 -0.22 -1.00 0.00 0.00 179.01 176.42 2khe h LYS 17 N 0.00 0.00 -7.18 2.33 3.64 -0.65 -3.48 116.57 111.23 2khe h LYS 17 Ca 0.07 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.97 2khe h LYS 17 Cb 0.50 0.00 0.21 0.00 -0.41 0.00 0.00 32.23 32.53 2khe h LYS 17 CO -0.00 0.36 0.07 1.28 -2.27 0.00 0.00 179.45 178.88 2khe n LEU 18 N -2.95 0.79 -4.47 5.20 4.77 0.41 -4.82 117.00 115.92 2khe n LEU 18 Ca -0.10 0.12 -0.56 0.00 -0.03 0.00 0.00 56.01 55.44 2khe n LEU 18 Cb 0.87 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 2khe n LEU 18 CO 0.43 -2.77 0.41 -0.67 -1.33 0.00 0.00 177.39 173.46 2khe n ASP 19 N -4.52 -0.32 -0.23 -1.43 2.03 -1.26 -4.58 116.55 106.23 2khe n ASP 19 Ca 0.07 1.15 0.04 0.00 0.52 0.00 0.00 54.79 56.57 2khe n ASP 19 Cb 0.53 -0.94 0.15 0.00 -0.72 0.00 0.00 41.12 40.15 2khe n ASP 19 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2khe h ARG 20 N 2.45 0.18 0.09 -0.67 -0.00 -1.92 0.15 114.38 114.66 2khe h ARG 20 Ca -0.44 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2khe h ARG 20 Cb 1.43 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.36 2khe h ARG 20 CO 0.63 0.12 -0.04 0.93 0.00 0.00 0.00 179.97 181.61 2khe h GLU 21 N 0.19 -0.12 -0.11 0.04 5.08 -2.00 -2.61 114.58 115.04 2khe h GLU 21 Ca 0.38 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 2khe h GLU 21 Cb 0.65 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2khe h GLU 21 CO -0.54 0.05 -0.17 0.28 -1.00 0.00 0.00 179.01 177.63 2khe h VAL 22 N -0.27 0.57 -0.30 3.13 2.07 -1.60 0.17 116.25 120.02 2khe h VAL 22 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2khe h VAL 22 Cb 0.22 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 2khe h VAL 22 CO 0.02 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.23 2khe h ALA 23 N 0.81 -0.39 -0.72 1.67 0.00 -0.71 0.41 119.26 120.33 2khe h ALA 23 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2khe h ALA 23 Cb 0.35 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2khe h ALA 23 CO -0.24 -0.83 0.43 -0.09 0.00 0.00 0.00 179.25 178.51 2khe h ARG 24 N -0.36 0.99 -0.69 0.00 2.43 -1.15 -2.13 114.38 113.47 2khe h ARG 24 Ca 0.13 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2khe h ARG 24 Cb 0.58 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2khe h ARG 24 CO -0.49 0.71 0.40 -0.09 -1.51 0.00 0.00 179.97 178.99 2khe h ARG 25 N 0.99 0.94 0.37 0.20 2.43 0.51 -1.62 114.38 118.20 2khe h ARG 25 Ca 0.26 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2khe h ARG 25 Cb -0.02 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 2khe h ARG 25 CO -0.05 0.68 -0.18 0.82 -1.51 0.00 0.00 179.97 179.73 2khe h ILE 26 N 0.96 0.00 -0.67 1.20 2.04 0.32 -0.64 117.51 120.71 2khe h ILE 26 Ca 0.25 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 66.09 2khe h ILE 26 Cb -0.01 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.95 2khe h ILE 26 CO -0.04 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.90 2khe h LEU 27 N -0.65 -0.57 0.10 1.44 3.38 -1.40 -0.73 115.31 116.88 2khe h LEU 27 Ca -0.05 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2khe h LEU 27 Cb 0.38 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2khe h LEU 27 CO 0.08 -0.21 -0.12 -0.09 0.09 0.00 0.00 178.44 178.19 2khe h ARG 28 N 0.02 -0.25 -1.04 1.13 9.65 -1.35 0.59 114.38 123.13 2khe h ARG 28 Ca 0.33 0.02 0.27 0.00 -1.10 0.00 0.00 59.98 59.50 2khe h ARG 28 Cb 0.51 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.06 2khe h ARG 28 CO -0.68 -0.17 0.67 0.35 2.80 0.00 0.00 179.97 182.95 2khe h PHE 29 N -0.26 0.64 0.00 2.20 3.57 0.33 1.59 116.94 125.01 2khe h PHE 29 Ca 0.01 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.32 2khe h PHE 29 Cb 0.26 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2khe h PHE 29 CO -0.13 0.06 -1.35 -0.07 -2.23 0.00 0.00 178.31 174.59 2khe h LEU 30 N 0.38 0.00 -0.15 0.59 3.38 -0.59 -1.41 115.31 117.52 2khe h LEU 30 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 2khe h LEU 30 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2khe h LEU 30 CO -0.29 0.81 -0.28 0.54 0.09 0.00 0.00 178.44 179.31 2khe n ARG 31 N -3.07 0.31 0.01 1.13 1.74 0.20 -1.04 116.66 115.94 2khe n ARG 31 Ca -0.09 -0.15 -0.01 0.00 -0.77 0.00 0.00 57.85 56.83 2khe n ARG 31 Cb 0.93 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.87 2khe n ARG 31 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2khe n GLU 32 N -1.22 0.07 0.00 5.56 -0.58 0.51 -4.45 120.64 120.53 2khe n GLU 32 Ca 0.09 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 2khe n GLU 32 Cb 0.33 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.75 2khe n GLU 32 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2khe n ARG 33 N -3.14 0.00 -0.03 3.49 5.12 -0.54 -2.69 116.66 118.87 2khe n ARG 33 Ca -0.02 0.44 -0.09 0.00 -1.93 0.00 0.00 57.85 56.26 2khe n ARG 33 Cb 0.07 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 2khe n ARG 33 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2khe h VAL 34 N 0.00 0.68 -1.28 1.55 2.07 -1.62 0.27 116.25 117.93 2khe h VAL 34 Ca 0.00 0.00 0.46 0.00 0.82 0.00 0.00 66.70 67.98 2khe h VAL 34 Cb 0.00 0.68 -0.15 0.00 -1.52 0.00 0.00 31.29 30.30 2khe h VAL 34 CO 0.00 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.38 2khe h ALA 35 N 1.06 2.64 0.00 1.67 0.00 -1.18 -0.61 119.26 122.84 2khe h ALA 35 Ca 0.10 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 2khe h ALA 35 Cb 0.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2khe h ALA 35 CO -0.24 -1.36 -0.87 1.79 0.00 0.00 0.00 179.25 178.57 2khe h THR 36 N 0.01 0.79 -0.83 0.00 1.35 -1.07 -3.42 112.91 109.74 2khe h THR 36 Ca 0.87 -1.89 -0.71 0.00 -0.55 0.00 0.00 66.41 64.13 2khe h THR 36 Cb 2.66 1.79 0.02 0.00 -1.73 0.00 0.00 68.15 70.88 2khe h THR 36 CO -0.55 0.27 0.44 0.18 -0.25 0.00 0.00 175.52 175.61 2khe n LEU 37 N -4.51 0.75 0.14 3.87 4.77 -0.02 -4.76 117.00 117.24 2khe n LEU 37 Ca -0.22 0.98 0.15 0.00 -0.03 0.00 0.00 56.01 56.89 2khe n LEU 37 Cb 0.53 -0.74 0.70 0.00 -2.33 0.00 0.00 43.42 41.59 2khe n LEU 37 CO 0.18 -0.92 1.14 -0.33 -1.33 0.00 0.00 177.39 176.13 2khe h GLU 38 N 3.74 0.00 -4.47 3.23 5.08 -1.91 -3.41 114.58 116.84 2khe h GLU 38 Ca -0.38 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.54 2khe h GLU 38 Cb 1.15 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.08 2khe h GLU 38 CO 0.75 0.00 -0.79 0.34 -1.00 0.00 0.00 179.01 178.31 2khe s ASP 39 N -6.43 1.27 0.28 1.42 2.15 -1.26 -4.63 116.67 109.47 2khe s ASP 39 Ca -0.05 -0.20 0.24 0.00 0.43 0.00 0.00 52.55 52.97 2khe s ASP 39 Cb 0.18 -0.45 1.01 0.00 -0.30 0.00 0.00 42.92 43.36 2khe s ASP 39 CO 0.67 0.04 1.73 1.55 -0.17 0.00 0.00 175.17 178.99 2khe h PRO 40 N 6.66 0.00 -1.83 4.34 0.13 -1.90 -3.22 132.00 136.17 2khe h PRO 40 Ca -0.34 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.37 2khe h PRO 40 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2khe h PRO 40 CO 0.48 0.00 0.36 0.54 -0.23 0.00 0.00 178.00 179.15 2khe n ARG 41 N -2.30 2.18 -0.00 0.86 1.74 -1.26 -4.03 116.66 113.85 2khe n ARG 41 Ca 0.02 -2.01 -0.00 0.00 -0.77 0.00 0.00 57.85 55.08 2khe n ARG 41 Cb 0.23 -1.96 -0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2khe n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2khe n SER 42 N 0.78 3.20 -2.23 0.55 3.41 -1.22 -4.72 113.62 113.40 2khe n SER 42 Ca 0.42 -0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.77 2khe n SER 42 Cb 0.58 -0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.67 2khe n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2khe n LEU 43 N -2.61 6.96 -3.92 1.04 4.77 -1.26 -4.95 117.00 117.04 2khe n LEU 43 Ca -0.00 -3.76 -0.09 0.00 -0.03 0.00 0.00 56.01 52.12 2khe n LEU 43 Cb 0.50 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2khe n LEU 43 CO 0.00 1.16 0.36 -0.83 -1.33 0.00 0.00 177.39 176.75 2khe s GLY 44 N -1.39 0.39 0.11 -0.72 0.00 -1.26 -3.62 107.32 100.83 2khe s GLY 44 Ca 0.58 -0.72 0.09 0.00 0.00 0.00 0.00 44.72 44.66 2khe s GLY 44 CO 0.07 -0.41 -0.22 -1.83 0.00 0.00 0.00 173.10 170.71 2khe s GLU 45 N -3.48 1.18 0.20 2.90 4.04 -0.60 -4.88 118.70 118.06 2khe s GLU 45 Ca 0.18 -1.20 -0.30 0.00 0.04 0.00 0.00 54.97 53.69 2khe s GLU 45 Cb -0.04 -1.49 -0.09 0.00 0.02 0.00 0.00 34.13 32.54 2khe s GLU 45 CO 0.10 0.35 1.31 -1.25 -1.84 0.00 0.00 175.26 173.93 2khe s PRO 46 N -1.93 4.39 -0.42 -4.83 0.04 -1.26 -1.97 135.00 129.02 2khe s PRO 46 Ca 0.08 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.08 2khe s PRO 46 Cb -0.10 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2khe s PRO 46 CO 0.05 -0.25 0.26 -1.17 0.04 0.00 0.00 177.00 175.92 2khe s LEU 47 N -0.09 5.17 -0.53 -3.56 2.96 -1.24 -4.96 118.68 116.43 2khe s LEU 47 Ca 0.57 -1.56 -0.11 0.00 -0.22 0.00 0.00 54.13 52.80 2khe s LEU 47 Cb -0.36 -1.97 0.13 0.00 0.50 0.00 0.00 46.19 44.49 2khe s LEU 47 CO 0.38 -0.54 0.43 -0.60 -1.32 0.00 0.00 176.35 174.69 2khe s ARG 48 N 1.40 2.71 0.04 1.98 3.00 -1.25 -3.77 118.95 123.05 2khe s ARG 48 Ca 0.03 -1.87 0.04 0.00 -1.00 0.00 0.00 55.73 52.94 2khe s ARG 48 Cb -0.23 -4.05 -0.02 0.00 0.00 0.00 0.00 34.95 30.64 2khe s ARG 48 CO 0.01 -1.24 -0.13 0.20 0.00 0.00 0.00 175.30 174.15 2khe s GLY 49 N 2.73 0.71 0.00 8.12 0.00 -1.23 -4.97 107.32 112.69 2khe s GLY 49 Ca 0.07 -0.78 0.14 0.00 0.00 0.00 0.00 44.72 44.15 2khe s GLY 49 CO -0.01 -0.77 1.43 -1.55 0.00 0.00 0.00 173.10 172.21 2khe n PRO 50 N 1.89 0.08 -0.08 2.90 -0.04 -1.26 -2.12 135.00 136.37 2khe n PRO 50 Ca -0.18 0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 2khe n PRO 50 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2khe n PRO 50 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2khe n GLU 51 N -1.42 0.43 0.00 0.54 4.07 -1.26 -4.88 120.64 118.12 2khe n GLU 51 Ca 0.05 0.18 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2khe n GLU 51 Cb 0.15 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 2khe n GLU 51 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2khe n LEU 52 N -4.08 1.35 0.00 4.31 4.77 -1.23 -5.06 117.00 117.06 2khe n LEU 52 Ca -0.28 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2khe n LEU 52 Cb 0.62 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2khe n LEU 52 CO 0.08 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2khe n GLY 53 N 1.95 1.54 2.85 -0.72 0.00 -0.90 -4.95 105.19 104.95 2khe n GLY 53 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2khe n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khe s ARG 54 N 0.00 1.19 -0.27 1.61 0.52 -1.25 -3.53 118.95 117.22 2khe s ARG 54 Ca 0.00 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2khe s ARG 54 Cb 0.00 -2.11 0.16 0.00 0.52 0.00 0.00 34.95 33.52 2khe s ARG 54 CO 0.00 -0.53 0.45 -0.06 0.02 0.00 0.00 175.30 175.19 2khe s PHE 55 N 1.67 -1.12 0.25 -0.53 0.08 -1.25 -4.93 117.98 112.15 2khe s PHE 55 Ca -0.01 1.02 -0.31 0.00 0.12 0.00 0.00 56.93 57.75 2khe s PHE 55 Cb -0.16 0.16 -0.11 0.00 -0.57 0.00 0.00 43.02 42.33 2khe s PHE 55 CO -0.07 -0.82 1.64 -0.46 -0.10 0.00 0.00 175.22 175.41 2khe s TRP 56 N 2.65 2.83 -0.23 0.36 -0.11 -1.24 -3.63 118.94 119.56 2khe s TRP 56 Ca 0.14 0.61 -0.04 0.00 1.22 0.00 0.00 56.10 58.04 2khe s TRP 56 Cb -0.15 -4.08 -0.00 0.00 -1.50 0.00 0.00 33.47 27.74 2khe s TRP 56 CO -0.20 -3.84 -0.04 0.21 -4.62 0.00 0.00 176.95 168.46 2khe s LYS 57 N 0.22 3.25 0.37 5.86 2.20 -0.83 -3.12 119.74 127.70 2khe s LYS 57 Ca 0.68 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 2khe s LYS 57 Cb -0.48 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2khe s LYS 57 CO 0.41 -0.25 0.57 0.71 -0.36 0.00 0.00 175.35 176.42 2khe s TYR 58 N 1.45 3.37 -0.05 4.03 2.02 0.82 -1.56 117.35 127.43 2khe s TYR 58 Ca 0.05 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2khe s TYR 58 Cb -0.15 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2khe s TYR 58 CO -0.03 -0.03 -0.05 -0.98 -1.57 0.00 0.00 175.55 172.90 2khe s ARG 59 N -4.36 0.90 -0.27 -0.62 1.70 -1.24 -2.14 118.95 112.91 2khe s ARG 59 Ca 0.43 -0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.59 2khe s ARG 59 Cb -0.10 -0.94 0.08 0.00 -0.57 0.00 0.00 34.95 33.42 2khe s ARG 59 CO 0.36 -0.12 0.03 0.08 -1.08 0.00 0.00 175.30 174.57 2khe s VAL 60 N 1.10 1.34 0.00 4.99 1.01 0.80 -5.00 120.40 124.62 2khe s VAL 60 Ca -0.08 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.48 2khe s VAL 60 Cb -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2khe s VAL 60 CO -0.01 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.30 2khe n GLY 61 N 4.70 0.43 1.60 4.51 0.00 -1.26 0.60 105.19 115.77 2khe n GLY 61 Ca -0.05 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 2khe n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2khe n ASP 62 N 3.85 3.53 -3.80 1.61 8.00 -1.26 -5.02 116.55 123.46 2khe n ASP 62 Ca 0.00 -3.62 -0.13 0.00 0.71 0.00 0.00 54.79 51.76 2khe n ASP 62 Cb 0.00 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 40.57 2khe n ASP 62 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2khe s TYR 63 N -3.37 -0.21 -0.13 1.24 1.51 0.20 -3.27 117.35 113.33 2khe s TYR 63 Ca 0.45 0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 56.98 2khe s TYR 63 Cb 0.39 0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 42.27 2khe s TYR 63 CO -0.01 -0.11 -0.02 1.03 -1.11 0.00 0.00 175.55 175.34 2khe s ARG 64 N 0.22 3.42 -0.06 -0.62 1.81 -0.18 -0.14 118.95 123.39 2khe s ARG 64 Ca -0.01 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 53.57 2khe s ARG 64 Cb -0.02 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.60 2khe s ARG 64 CO -0.01 0.42 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.36 2khe s LEU 65 N -0.12 1.85 -0.33 2.53 1.43 -0.91 -2.15 118.68 120.98 2khe s LEU 65 Ca 0.03 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 2khe s LEU 65 Cb -0.13 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.16 2khe s LEU 65 CO 0.02 0.11 0.05 -0.63 0.23 0.00 0.00 176.35 176.14 2khe s ILE 66 N 0.32 2.89 0.27 -0.59 1.01 -0.28 -0.13 121.20 124.68 2khe s ILE 66 Ca -0.11 -1.74 0.09 0.00 0.00 0.00 0.00 60.65 58.89 2khe s ILE 66 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2khe s ILE 66 CO 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 174.94 174.68 2khe s HIS 68 N -2.30 3.18 -0.30 0.00 2.46 0.53 -3.69 115.29 115.18 2khe s HIS 68 Ca 0.32 -0.39 -0.23 0.00 0.47 0.00 0.00 55.06 55.23 2khe s HIS 68 Cb -0.06 -2.36 -0.00 0.00 -0.13 0.00 0.00 32.58 30.02 2khe s HIS 68 CO 0.21 -0.38 0.77 0.42 -2.47 0.00 0.00 174.74 173.29 2khe s ILE 69 N 1.65 4.82 -0.55 0.89 1.01 -1.26 -1.67 121.20 126.09 2khe s ILE 69 Ca 0.05 1.18 -0.11 0.00 0.00 0.00 0.00 60.65 61.78 2khe s ILE 69 Cb -0.17 -4.12 0.14 0.00 0.01 0.00 0.00 42.46 38.32 2khe s ILE 69 CO 0.07 -0.21 0.44 -1.10 0.00 0.00 0.00 174.94 174.14 2khe s GLN 70 N 2.89 2.74 0.23 2.79 -0.21 0.52 -4.94 119.66 123.68 2khe s GLN 70 Ca 0.32 -1.93 -0.06 0.00 0.02 0.00 0.00 55.36 53.71 2khe s GLN 70 Cb -0.14 -4.05 0.35 0.00 1.00 0.00 0.00 33.01 30.17 2khe s GLN 70 CO 0.12 -1.23 1.80 -0.44 -2.12 0.00 0.00 175.29 173.42 2khe h ASP 71 N 8.30 0.60 -0.74 5.90 5.19 -1.94 0.80 116.42 134.53 2khe h ASP 71 Ca -0.17 0.05 0.09 0.00 -0.62 0.00 0.00 57.03 56.38 2khe h ASP 71 Cb 1.06 -0.07 -0.10 0.00 0.18 0.00 0.00 39.33 40.40 2khe h ASP 71 CO 0.87 0.35 -0.36 -1.14 -3.12 0.00 0.00 179.24 175.84 2khe n ARG 72 N -4.78 -0.25 -0.60 3.56 0.00 -1.26 -1.14 116.66 112.19 2khe n ARG 72 Ca 0.12 1.13 0.06 0.00 -0.00 0.00 0.00 57.85 59.16 2khe n ARG 72 Cb 0.25 -1.66 0.17 0.00 0.00 0.00 0.00 32.46 31.21 2khe n ARG 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2khe n GLU 73 N -5.01 1.28 -4.04 -0.14 -0.58 -1.05 -4.99 120.64 106.11 2khe n GLU 73 Ca 0.05 -2.93 -0.30 0.00 -0.42 0.00 0.00 57.16 53.55 2khe n GLU 73 Cb 0.24 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.70 2khe n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khe n ALA 74 N -0.95 -2.00 -2.86 0.62 0.00 0.27 -4.73 120.51 110.86 2khe n ALA 74 Ca 0.16 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 2khe n ALA 74 Cb 0.74 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.95 2khe n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2khe s THR 75 N -4.06 2.74 -0.28 0.00 2.01 -0.46 -2.39 115.64 113.20 2khe s THR 75 Ca 0.12 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 2khe s THR 75 Cb -0.07 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.35 2khe s THR 75 CO 0.84 0.56 0.06 -0.69 -0.69 0.00 0.00 174.62 174.70 2khe s VAL 76 N -0.04 3.91 -0.28 3.82 1.01 -0.46 -0.36 120.40 128.00 2khe s VAL 76 Ca -0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2khe s VAL 76 Cb -0.14 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2khe s VAL 76 CO 0.04 0.16 -0.01 -0.22 0.00 0.00 0.00 175.10 175.07 2khe s LEU 77 N 1.51 3.55 0.28 3.92 2.96 -0.67 -0.17 118.68 130.07 2khe s LEU 77 Ca 0.03 -0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.66 2khe s LEU 77 Cb -0.16 -1.72 -0.12 0.00 0.50 0.00 0.00 46.19 44.68 2khe s LEU 77 CO 0.02 -0.19 1.46 0.52 -1.32 0.00 0.00 176.35 176.84 2khe n VAL 78 N 4.69 1.20 -0.08 1.68 0.31 -0.31 -0.35 118.33 125.48 2khe n VAL 78 Ca -0.15 -0.30 -0.14 0.00 -0.01 0.00 0.00 64.34 63.74 2khe n VAL 78 Cb 0.46 -1.68 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 2khe n VAL 78 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2khe n LEU 79 N 1.85 1.57 -3.98 7.52 4.77 0.12 -1.65 117.00 127.21 2khe n LEU 79 Ca 0.09 0.26 -0.16 0.00 -0.03 0.00 0.00 56.01 56.17 2khe n LEU 79 Cb 0.34 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 2khe n LEU 79 CO 0.63 0.01 -0.41 -0.60 -1.33 0.00 0.00 177.39 175.69 2khe s ARG 80 N -2.52 0.51 -0.15 3.23 6.06 -0.81 -4.20 118.95 121.07 2khe s ARG 80 Ca -0.25 -0.25 -0.01 0.00 -2.50 0.00 0.00 55.73 52.72 2khe s ARG 80 Cb 0.07 -0.48 0.04 0.00 0.06 0.00 0.00 34.95 34.64 2khe s ARG 80 CO 0.33 0.13 -0.02 0.08 -2.50 0.00 0.00 175.30 173.33 2khe s VAL 81 N -0.21 0.78 0.09 7.11 1.01 -1.26 -1.13 120.40 126.79 2khe s VAL 81 Ca 0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 2khe s VAL 81 Cb -0.03 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.39 2khe s VAL 81 CO -0.00 0.07 0.63 -0.83 0.00 0.00 0.00 175.10 174.97 2khe s GLY 82 N 1.77 -0.60 1.00 4.51 0.00 -0.92 -4.67 107.32 108.42 2khe s GLY 82 Ca 0.01 0.77 -0.16 0.00 0.00 0.00 0.00 44.72 45.35 2khe s GLY 82 CO -0.07 0.43 0.06 1.57 0.00 0.00 0.00 173.10 175.09 2khe n HIS 83 N 0.07 -1.90 -0.16 1.90 -0.00 -1.26 -1.02 115.22 112.85 2khe n HIS 83 Ca -0.18 0.20 0.12 0.00 -0.00 0.00 0.00 57.72 57.86 2khe n HIS 83 Cb 0.62 -1.66 0.46 0.00 -0.00 0.00 0.00 29.99 29.41 2khe n HIS 83 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2khe h ALA 84 N -1.61 1.98 0.00 1.57 0.00 -1.84 -0.26 119.26 119.10 2khe h ALA 84 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2khe h ALA 84 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2khe h ALA 84 CO 0.33 -0.15 -1.20 2.89 0.00 0.00 0.00 179.25 181.12 2khe n ARG 85 N -4.49 0.33 0.15 0.00 -4.01 -1.26 -4.21 116.66 103.17 2khe n ARG 85 Ca 0.13 -0.03 -0.08 0.00 -1.04 0.00 0.00 57.85 56.82 2khe n ARG 85 Cb 0.43 -1.58 -0.04 0.00 -3.04 0.00 0.00 32.46 28.23 2khe n ARG 85 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2khe h ASP 86 N 0.00 -0.39 -0.40 2.89 1.82 -1.37 -2.70 116.42 116.27 2khe h ASP 86 Ca 0.00 -0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.68 2khe h ASP 86 Cb 0.76 0.10 -0.09 0.00 0.68 0.00 0.00 39.33 40.78 2khe h ASP 86 CO 0.00 0.06 -0.37 0.58 -1.61 0.00 0.00 179.24 177.90 2khe h VAL 87 N -1.10 0.17 -3.19 2.25 2.07 -1.51 -3.31 116.25 111.63 2khe h VAL 87 Ca -0.05 0.00 -0.63 0.00 0.82 0.00 0.00 66.70 66.85 2khe h VAL 87 Cb 0.41 0.17 -0.41 0.00 -1.52 0.00 0.00 31.29 29.94 2khe h VAL 87 CO 0.08 0.00 -0.68 -0.31 0.02 0.00 0.00 177.57 176.68 2khe s TYR 88 N -5.93 2.60 0.00 1.57 2.02 -1.25 -5.11 117.35 111.24 2khe s TYR 88 Ca -0.15 -2.81 0.00 0.00 -0.37 0.00 0.00 57.07 53.74 2khe s TYR 88 Cb 0.13 -2.37 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 2khe s TYR 88 CO 0.67 -0.76 0.00 0.54 -1.57 0.00 0.00 175.55 174.42