#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 -2.70 3.76 3.17 0.00 -1.26 -4.93 105.19 103.23 2khe n GLY 2 Ca 0.00 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.30 2.45 0.41 1.61 1.51 -1.26 -5.00 117.35 113.76 2khe s TYR 3 Ca 0.00 1.50 -0.18 0.00 -1.01 0.00 0.00 57.07 57.38 2khe s TYR 3 Cb 0.00 -3.50 -0.10 0.00 -0.11 0.00 0.00 41.96 38.25 2khe s TYR 3 CO 0.00 -2.19 0.88 0.50 -1.11 0.00 0.00 175.55 173.64 2khe s ARG 4 N -3.19 4.11 -0.28 -0.62 6.06 -0.93 -4.88 118.95 119.22 2khe s ARG 4 Ca 0.75 0.94 -0.06 0.00 -2.50 0.00 0.00 55.73 54.86 2khe s ARG 4 Cb -0.31 -2.26 0.01 0.00 0.06 0.00 0.00 34.95 32.45 2khe s ARG 4 CO 0.35 -0.01 0.04 0.42 -2.50 0.00 0.00 175.30 173.61 2khe s ILE 5 N -2.19 3.73 0.21 4.11 -1.09 -1.26 -0.69 121.20 124.02 2khe s ILE 5 Ca 0.59 -0.72 0.08 0.00 -2.23 0.00 0.00 60.65 58.36 2khe s ILE 5 Cb -0.10 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 2khe s ILE 5 CO 0.17 0.14 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.27 2khe s GLU 6 N 1.47 1.33 -0.06 2.79 2.02 0.12 -4.99 118.70 121.39 2khe s GLU 6 Ca 0.02 -1.59 -0.01 0.00 0.02 0.00 0.00 54.97 53.41 2khe s GLU 6 Cb -0.17 -1.11 0.03 0.00 0.10 0.00 0.00 34.13 32.98 2khe s GLU 6 CO 0.01 0.18 0.02 -0.06 0.02 0.00 0.00 175.26 175.42 2khe s PHE 7 N -2.98 0.48 0.99 1.61 0.40 -1.26 -1.62 117.98 115.59 2khe s PHE 7 Ca 0.23 -0.04 -0.14 0.00 -0.60 0.00 0.00 56.93 56.37 2khe s PHE 7 Cb -0.00 -0.68 0.04 0.00 0.51 0.00 0.00 43.02 42.88 2khe s PHE 7 CO 0.07 -0.27 0.23 -0.25 0.70 0.00 0.00 175.22 175.70 2khe n ASP 8 N 5.07 -2.39 0.05 1.36 8.00 -0.77 -4.70 116.55 123.16 2khe n ASP 8 Ca -0.08 0.22 0.09 0.00 0.71 0.00 0.00 54.79 55.73 2khe n ASP 8 Cb 0.50 -1.12 0.37 0.00 -0.02 0.00 0.00 41.12 40.85 2khe n ASP 8 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2khe n PRO 9 N -1.48 0.07 -0.12 -0.24 -0.04 -1.26 -2.26 135.00 129.67 2khe n PRO 9 Ca 0.05 0.32 -0.26 0.00 -0.04 0.00 0.00 63.50 63.57 2khe n PRO 9 Cb 0.56 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.75 0.60 -0.14 0.54 5.12 -1.26 -4.45 116.66 115.32 2khe n ARG 10 Ca 0.03 0.35 -0.08 0.00 -1.93 0.00 0.00 57.85 56.22 2khe n ARG 10 Cb 0.19 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 -0.66 0.54 -0.99 7.54 0.00 -1.71 -2.28 119.26 121.70 2khe h ALA 11 Ca -0.56 -0.04 0.32 0.00 0.00 0.00 0.00 54.91 54.63 2khe h ALA 11 Cb 1.57 -0.17 -0.18 0.00 0.00 0.00 0.00 17.79 19.01 2khe h ALA 11 CO -0.29 0.00 0.20 0.93 0.00 0.00 0.00 179.25 180.10 2khe h GLU 12 N 0.57 0.02 0.09 0.00 4.39 -1.68 0.69 114.58 118.67 2khe h GLU 12 Ca 0.15 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.58 2khe h GLU 12 Cb -0.05 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2khe h GLU 12 CO -0.03 0.01 -1.12 0.87 -1.16 0.00 0.00 179.01 177.58 2khe h LYS 13 N 0.02 0.59 0.00 2.33 1.79 -1.69 -1.55 116.57 118.05 2khe h LYS 13 Ca 0.68 -0.76 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2khe h LYS 13 Cb 1.55 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 32.45 2khe h LYS 13 CO -0.86 1.34 -0.06 0.93 -1.08 0.00 0.00 179.45 179.71 2khe h GLU 14 N 0.20 0.00 0.00 3.15 5.08 0.57 -1.84 114.58 121.75 2khe h GLU 14 Ca -0.17 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.01 2khe h GLU 14 Cb 1.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 2khe h GLU 14 CO 0.22 0.06 -1.00 1.25 -1.00 0.00 0.00 179.01 178.54 2khe h LEU 15 N 0.00 0.00 -1.98 1.33 6.46 0.07 -3.34 115.31 117.85 2khe h LEU 15 Ca -0.00 -0.58 0.21 0.00 -0.12 0.00 0.00 57.88 57.39 2khe h LEU 15 Cb 0.14 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2khe h LEU 15 CO 0.01 1.37 0.52 1.05 -0.62 0.00 0.00 178.44 180.77 2khe h GLU 16 N -1.00 0.02 -0.08 1.25 4.11 -1.15 0.32 114.58 118.05 2khe h GLU 16 Ca -0.27 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.05 2khe h GLU 16 Cb 1.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2khe h GLU 16 CO -0.16 0.01 -0.45 1.57 0.07 0.00 0.00 179.01 180.05 2khe h LYS 17 N 0.02 0.18 -7.21 1.06 5.09 -1.48 -3.45 116.57 110.78 2khe h LYS 17 Ca 0.34 -0.09 -0.44 0.00 0.09 0.00 0.00 60.65 60.55 2khe h LYS 17 Cb 1.35 0.00 0.20 0.00 0.10 0.00 0.00 32.23 33.88 2khe h LYS 17 CO -0.01 0.60 0.07 -0.51 -2.09 0.00 0.00 179.45 177.51 2khe s LEU 18 N -8.15 1.09 0.75 7.07 1.43 0.11 -4.95 118.68 116.03 2khe s LEU 18 Ca -0.04 1.42 -0.15 0.00 -1.03 0.00 0.00 54.13 54.33 2khe s LEU 18 Cb 0.13 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2khe s LEU 18 CO 0.77 -3.87 0.87 -0.67 0.23 0.00 0.00 176.35 173.67 2khe n ASP 19 N -4.69 0.02 0.17 2.29 2.03 -1.26 -4.73 116.55 110.38 2khe n ASP 19 Ca 0.04 0.62 -0.14 0.00 0.52 0.00 0.00 54.79 55.82 2khe n ASP 19 Cb 0.55 -1.36 -0.08 0.00 -0.72 0.00 0.00 41.12 39.51 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 -0.44 -0.36 -0.07 -0.67 3.08 -1.92 -0.16 114.38 113.84 2khe h ARG 20 Ca -0.47 0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.63 2khe h ARG 20 Cb 1.33 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 2khe h ARG 20 CO 0.45 -0.19 0.05 0.93 -1.07 0.00 0.00 179.97 180.15 2khe h GLU 21 N -0.46 0.02 -0.02 0.04 5.08 -1.99 -1.27 114.58 115.98 2khe h GLU 21 Ca -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2khe h GLU 21 Cb 0.35 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2khe h GLU 21 CO 0.06 0.01 -0.06 0.28 -1.00 0.00 0.00 179.01 178.30 2khe h VAL 22 N 0.02 1.49 -0.19 3.13 2.07 -1.81 -2.15 116.25 118.80 2khe h VAL 22 Ca 0.03 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.03 2khe h VAL 22 Cb 0.11 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2khe h VAL 22 CO -0.00 0.41 0.12 0.00 0.02 0.00 0.00 177.57 178.11 2khe h ALA 23 N 0.38 0.24 -0.03 1.67 0.00 -0.60 -2.18 119.26 118.74 2khe h ALA 23 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2khe h ALA 23 Cb 0.69 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2khe h ALA 23 CO 0.01 -0.29 0.01 0.07 0.00 0.00 0.00 179.25 179.04 2khe h ARG 24 N 0.24 0.02 -0.83 0.00 0.11 -1.33 -2.38 114.38 110.20 2khe h ARG 24 Ca 0.07 -0.00 0.16 0.00 0.10 0.00 0.00 59.98 60.31 2khe h ARG 24 Cb -0.01 -0.00 -0.10 0.00 1.11 0.00 0.00 29.97 30.97 2khe h ARG 24 CO -0.03 0.01 0.40 -0.09 0.10 0.00 0.00 179.97 180.36 2khe h ARG 25 N 0.02 0.53 0.86 0.08 2.43 -1.22 0.25 114.38 117.34 2khe h ARG 25 Ca 0.01 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2khe h ARG 25 Cb 0.01 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2khe h ARG 25 CO -0.01 0.35 -0.41 0.82 -1.51 0.00 0.00 179.97 179.20 2khe h ILE 26 N 0.55 0.00 -0.93 1.20 2.04 -1.01 0.11 117.51 119.47 2khe h ILE 26 Ca 0.47 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.42 2khe h ILE 26 Cb 0.71 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 2khe h ILE 26 CO -0.40 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.25 2khe h LEU 27 N -1.17 0.81 -1.54 1.44 3.38 -1.03 0.19 115.31 117.40 2khe h LEU 27 Ca -0.12 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2khe h LEU 27 Cb 0.89 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2khe h LEU 27 CO 0.19 0.44 -0.17 -0.09 0.09 0.00 0.00 178.44 178.90 2khe h ARG 28 N 0.90 0.00 0.06 1.13 1.12 -0.38 0.54 114.38 117.75 2khe h ARG 28 Ca 0.46 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 59.07 2khe h ARG 28 Cb 0.45 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.39 2khe h ARG 28 CO -0.26 0.17 -1.26 0.35 -3.11 0.00 0.00 179.97 175.86 2khe h PHE 29 N 0.00 0.23 0.00 2.20 3.57 0.20 -2.75 116.94 120.39 2khe h PHE 29 Ca -0.00 -0.17 -0.22 0.00 3.53 0.00 0.00 57.97 61.11 2khe h PHE 29 Cb 0.53 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 2khe h PHE 29 CO 0.00 1.16 -1.51 -0.07 -2.23 0.00 0.00 178.31 175.66 2khe h LEU 30 N 0.03 0.00 0.00 0.59 3.38 -0.75 -1.33 115.31 117.24 2khe h LEU 30 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2khe h LEU 30 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2khe h LEU 30 CO 0.15 0.78 -0.19 0.08 0.09 0.00 0.00 178.44 179.35 2khe h ARG 31 N 0.00 0.00 0.00 1.13 0.11 -0.03 0.27 114.38 115.86 2khe h ARG 31 Ca -0.21 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.78 2khe h ARG 31 Cb 1.78 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.85 2khe h ARG 31 CO 0.06 0.00 -1.01 0.39 0.10 0.00 0.00 179.97 179.51 2khe n GLU 32 N -2.27 0.29 0.00 0.08 -0.58 -1.04 -4.32 120.64 112.81 2khe n GLU 32 Ca 0.05 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2khe n GLU 32 Cb 0.44 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 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 -3.89 0.00 -0.08 3.49 5.12 -0.51 -2.20 116.66 118.59 2khe n ARG 33 Ca -0.16 0.44 0.14 0.00 -1.93 0.00 0.00 57.85 56.34 2khe n ARG 33 Cb 0.44 -1.12 0.53 0.00 -1.16 0.00 0.00 32.46 31.14 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 0.86 0.18 1.55 2.07 -1.50 0.24 116.25 119.65 2khe h VAL 34 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2khe h VAL 34 Cb 0.00 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2khe h VAL 34 CO 0.00 0.06 -0.09 0.00 0.02 0.00 0.00 177.57 177.56 2khe h ALA 35 N 1.70 -0.25 -0.26 1.67 0.00 -0.56 -3.16 119.26 118.40 2khe h ALA 35 Ca 0.28 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2khe h ALA 35 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2khe h ALA 35 CO -0.07 -0.58 -0.58 1.79 0.00 0.00 0.00 179.25 179.81 2khe h THR 36 N -0.36 1.28 -1.35 0.00 1.35 -0.90 -3.41 112.91 109.52 2khe h THR 36 Ca -0.03 -1.77 -0.73 0.00 -0.55 0.00 0.00 66.41 63.34 2khe h THR 36 Cb 0.28 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2khe h THR 36 CO 0.04 0.57 1.04 0.18 -0.25 0.00 0.00 175.52 177.10 2khe n LEU 37 N -3.99 2.24 0.09 3.87 4.77 0.77 -4.77 117.00 119.97 2khe n LEU 37 Ca -0.05 0.92 0.20 0.00 -0.03 0.00 0.00 56.01 57.05 2khe n LEU 37 Cb 0.64 -1.15 0.74 0.00 -2.33 0.00 0.00 43.42 41.32 2khe n LEU 37 CO 0.50 -0.50 1.18 -0.33 -1.33 0.00 0.00 177.39 176.91 2khe h GLU 38 N 8.40 0.00 -3.85 3.23 4.39 -1.86 -3.40 114.58 121.49 2khe h GLU 38 Ca -0.40 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.04 2khe h GLU 38 Cb 1.33 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.69 2khe h GLU 38 CO 0.98 0.00 -0.73 0.16 -1.16 0.00 0.00 179.01 178.26 2khe s ASP 39 N -5.25 0.17 0.54 1.42 1.47 -1.26 -4.80 116.67 108.96 2khe s ASP 39 Ca -0.04 -0.02 0.33 0.00 1.18 0.00 0.00 52.55 54.00 2khe s ASP 39 Cb 0.15 -0.03 1.38 0.00 -0.34 0.00 0.00 42.92 44.08 2khe s ASP 39 CO 0.54 0.00 1.98 1.55 0.68 0.00 0.00 175.17 179.92 2khe h PRO 40 N 6.26 0.00 -0.97 2.11 0.13 -1.86 -2.95 132.00 134.72 2khe h PRO 40 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 2khe h PRO 40 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2khe h PRO 40 CO 0.50 0.00 0.11 0.54 -0.23 0.00 0.00 178.00 178.93 2khe n ARG 41 N -3.03 1.47 -0.12 0.86 1.74 -1.26 -3.93 116.66 112.39 2khe n ARG 41 Ca 0.01 -0.73 -0.25 0.00 -0.77 0.00 0.00 57.85 56.11 2khe n ARG 41 Cb 0.29 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 2khe n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2khe n SER 42 N 0.12 1.91 -4.46 0.55 2.88 -1.11 -4.88 113.62 108.62 2khe n SER 42 Ca 0.12 0.38 -0.38 0.00 -1.33 0.00 0.00 58.87 57.67 2khe n SER 42 Cb 0.70 -0.89 -0.12 0.00 -0.75 0.00 0.00 64.21 63.15 2khe n SER 42 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2khe s LEU 43 N -7.70 3.89 0.00 2.46 1.43 -1.25 -4.99 118.68 112.51 2khe s LEU 43 Ca -0.34 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 2khe s LEU 43 Cb 0.10 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2khe s LEU 43 CO 0.53 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.59 2khe n GLY 44 N 4.97 0.41 3.04 -3.19 0.00 -1.26 -4.59 105.19 104.57 2khe n GLY 44 Ca -0.15 -2.22 -0.17 0.00 0.00 0.00 0.00 46.02 43.49 2khe n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khe s GLU 45 N -0.49 0.65 0.33 1.61 -1.05 0.89 -4.91 118.70 115.72 2khe s GLU 45 Ca 0.00 -0.48 -0.28 0.00 -0.15 0.00 0.00 54.97 54.06 2khe s GLU 45 Cb 0.00 -0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 33.01 2khe s GLU 45 CO 0.00 0.15 1.22 -1.25 0.95 0.00 0.00 175.26 176.33 2khe s PRO 46 N -0.70 4.40 -0.11 -4.83 0.04 -1.26 -0.48 135.00 132.06 2khe s PRO 46 Ca -0.00 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2khe s PRO 46 Cb -0.05 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 2khe s PRO 46 CO 0.00 -0.08 0.35 -1.17 0.04 0.00 0.00 177.00 176.14 2khe s LEU 47 N -1.80 4.32 -0.19 -3.56 2.96 0.67 -4.90 118.68 116.18 2khe s LEU 47 Ca 0.49 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 55.05 2khe s LEU 47 Cb -0.36 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 43.92 2khe s LEU 47 CO 0.47 0.16 0.07 -0.60 -1.32 0.00 0.00 176.35 175.13 2khe s ARG 48 N 0.01 0.33 0.28 1.98 3.52 -1.26 -4.12 118.95 119.70 2khe s ARG 48 Ca 0.20 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 2khe s ARG 48 Cb -0.14 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 2khe s ARG 48 CO 0.08 -0.69 0.18 0.20 -0.81 0.00 0.00 175.30 174.25 2khe s GLY 49 N 2.00 1.94 0.09 8.12 0.00 -1.25 -5.05 107.32 113.17 2khe s GLY 49 Ca 0.01 -1.82 -0.16 0.00 0.00 0.00 0.00 44.72 42.75 2khe s GLY 49 CO -0.11 -1.50 1.40 -0.56 0.00 0.00 0.00 173.10 172.33 2khe h PRO 50 N 2.32 0.62 0.00 2.90 0.13 -2.00 -3.38 132.00 132.59 2khe h PRO 50 Ca -0.32 -0.33 -0.30 0.00 -0.87 0.00 0.00 66.00 64.18 2khe h PRO 50 Cb 1.25 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2khe h PRO 50 CO 0.48 0.93 -2.14 -1.91 -0.23 0.00 0.00 178.00 175.13 2khe n GLU 51 N -4.33 0.53 -1.88 0.86 2.13 -1.26 -4.98 120.64 111.72 2khe n GLU 51 Ca -0.04 0.11 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 2khe n GLU 51 Cb 0.44 -1.40 -0.02 0.00 0.27 0.00 0.00 31.44 30.73 2khe n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2khe s LEU 52 N -6.13 4.36 0.00 4.31 2.01 -1.26 -5.01 118.68 116.96 2khe s LEU 52 Ca -0.26 2.80 0.00 0.00 0.01 0.00 0.00 54.13 56.68 2khe s LEU 52 Cb 0.07 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.65 2khe s LEU 52 CO 0.47 -0.83 0.00 0.61 1.01 0.00 0.00 176.35 177.61 2khe n GLY 53 N 2.53 -0.28 3.32 -3.19 0.00 -1.26 -3.79 105.19 102.52 2khe n GLY 53 Ca 0.09 -1.32 -0.47 0.00 0.00 0.00 0.00 46.02 44.32 2khe n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2khe s ARG 54 N 0.00 3.46 0.10 1.61 3.52 -1.26 -4.52 118.95 121.85 2khe s ARG 54 Ca 0.00 -2.31 0.10 0.00 -0.13 0.00 0.00 55.73 53.38 2khe s ARG 54 Cb 0.00 -4.39 -0.04 0.00 -1.56 0.00 0.00 34.95 28.97 2khe s ARG 54 CO 0.00 -1.30 -0.24 -0.06 -0.81 0.00 0.00 175.30 172.90 2khe s PHE 55 N 0.44 2.40 0.22 5.12 0.08 -1.26 -4.69 117.98 120.30 2khe s PHE 55 Ca 0.15 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 2khe s PHE 55 Cb -0.14 -1.33 -0.07 0.00 -0.57 0.00 0.00 43.02 40.90 2khe s PHE 55 CO -0.06 0.29 0.56 -0.46 -0.10 0.00 0.00 175.22 175.45 2khe s TRP 56 N -1.01 3.45 -0.19 0.36 -0.11 -0.74 -0.24 118.94 120.47 2khe s TRP 56 Ca 0.15 0.92 0.01 0.00 1.22 0.00 0.00 56.10 58.39 2khe s TRP 56 Cb -0.10 -2.29 0.02 0.00 -1.50 0.00 0.00 33.47 29.60 2khe s TRP 56 CO 0.06 0.28 -0.19 0.21 -4.62 0.00 0.00 176.95 172.70 2khe s LYS 57 N -2.70 2.88 0.25 5.86 2.47 0.36 -2.34 119.74 126.53 2khe s LYS 57 Ca 0.46 -0.88 0.05 0.00 -1.56 0.00 0.00 55.97 54.04 2khe s LYS 57 Cb -0.12 -2.59 -0.03 0.00 -1.46 0.00 0.00 37.83 33.63 2khe s LYS 57 CO 0.21 -0.25 0.38 0.71 0.16 0.00 0.00 175.35 176.55 2khe s TYR 58 N 1.28 3.42 -0.06 4.03 2.02 0.74 -0.08 117.35 128.70 2khe s TYR 58 Ca 0.03 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2khe s TYR 58 Cb -0.14 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 2khe s TYR 58 CO -0.12 0.38 -0.08 -0.98 -1.57 0.00 0.00 175.55 173.18 2khe s ARG 59 N -4.01 1.31 -0.65 -0.62 3.03 -1.26 -1.72 118.95 115.02 2khe s ARG 59 Ca 0.35 -0.26 0.05 0.00 2.03 0.00 0.00 55.73 57.90 2khe s ARG 59 Cb -0.09 -1.19 0.17 0.00 -1.03 0.00 0.00 34.95 32.81 2khe s ARG 59 CO 0.30 -0.05 0.47 0.08 -1.13 0.00 0.00 175.30 174.96 2khe s VAL 60 N 0.91 2.41 0.00 4.99 1.01 0.42 -4.98 120.40 125.16 2khe s VAL 60 Ca -0.11 -3.98 0.00 0.00 0.00 0.00 0.00 61.98 57.90 2khe s VAL 60 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2khe s VAL 60 CO 0.01 -1.05 0.00 0.61 0.00 0.00 0.00 175.10 174.67 2khe n GLY 61 N 2.13 0.74 1.57 4.51 0.00 -1.26 -1.85 105.19 111.04 2khe n GLY 61 Ca 0.22 0.53 0.01 0.00 0.00 0.00 0.00 46.02 46.78 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 1.84 1.59 -3.81 1.61 9.92 -1.26 -5.05 116.55 121.39 2khe n ASP 62 Ca 0.00 -2.60 -0.13 0.00 -0.53 0.00 0.00 54.79 51.53 2khe n ASP 62 Cb 0.00 -0.39 -0.15 0.00 -0.64 0.00 0.00 41.12 39.94 2khe n ASP 62 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2khe s TYR 63 N -1.73 -0.02 -0.16 1.24 1.51 -0.77 -3.42 117.35 114.00 2khe s TYR 63 Ca 0.35 0.14 -0.07 0.00 -1.01 0.00 0.00 57.07 56.48 2khe s TYR 63 Cb 0.37 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 42.08 2khe s TYR 63 CO -0.11 -0.06 0.07 1.03 -1.11 0.00 0.00 175.55 175.37 2khe s ARG 64 N 0.59 3.82 -0.09 -0.62 3.00 0.12 -0.44 118.95 125.33 2khe s ARG 64 Ca -0.05 -0.31 0.03 0.00 0.00 0.00 0.00 55.73 55.40 2khe s ARG 64 Cb -0.07 -3.18 0.00 0.00 0.00 0.00 0.00 34.95 31.71 2khe s ARG 64 CO -0.02 0.39 -0.21 -0.51 0.00 0.00 0.00 175.30 174.95 2khe s LEU 65 N 0.05 1.98 -0.41 2.53 1.43 -0.70 -2.16 118.68 121.39 2khe s LEU 65 Ca 0.06 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2khe s LEU 65 Cb -0.12 -1.27 0.10 0.00 0.03 0.00 0.00 46.19 44.94 2khe s LEU 65 CO 0.01 0.12 0.21 -0.63 0.23 0.00 0.00 176.35 176.29 2khe s ILE 66 N 0.45 3.46 0.32 -0.59 1.09 -0.55 -0.18 121.20 125.20 2khe s ILE 66 Ca -0.17 -1.93 0.09 0.00 -1.10 0.00 0.00 60.65 57.54 2khe s ILE 66 Cb -0.17 -3.31 -0.05 0.00 -1.06 0.00 0.00 42.46 37.87 2khe s ILE 66 CO 0.07 -0.65 0.04 0.00 -0.10 0.00 0.00 174.94 174.31 2khe s HIS 68 N -2.45 2.94 -0.32 0.00 2.46 0.10 -1.79 115.29 116.23 2khe s HIS 68 Ca 0.35 -0.75 -0.21 0.00 0.47 0.00 0.00 55.06 54.91 2khe s HIS 68 Cb -0.02 -2.02 -0.00 0.00 -0.13 0.00 0.00 32.58 30.40 2khe s HIS 68 CO 0.20 -0.38 0.67 0.42 -2.47 0.00 0.00 174.74 173.18 2khe s ILE 69 N 1.04 4.89 -0.50 0.89 1.01 -1.26 -1.97 121.20 125.30 2khe s ILE 69 Ca 0.00 0.87 -0.13 0.00 0.00 0.00 0.00 60.65 61.39 2khe s ILE 69 Cb -0.15 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.39 2khe s ILE 69 CO -0.00 -0.21 0.41 -1.10 0.00 0.00 0.00 174.94 174.04 2khe s GLN 70 N 2.72 2.75 0.24 2.79 -0.21 -0.69 -4.94 119.66 122.32 2khe s GLN 70 Ca 0.27 -1.68 -0.06 0.00 0.02 0.00 0.00 55.36 53.90 2khe s GLN 70 Cb -0.15 -4.09 0.29 0.00 1.00 0.00 0.00 33.01 30.06 2khe s GLN 70 CO 0.13 -1.22 1.87 -0.44 -2.12 0.00 0.00 175.29 173.51 2khe h ASP 71 N 8.66 0.89 -0.74 5.90 5.19 -1.94 1.37 116.42 135.75 2khe h ASP 71 Ca -0.26 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.26 2khe h ASP 71 Cb 1.09 -0.19 -0.11 0.00 0.18 0.00 0.00 39.33 40.30 2khe h ASP 71 CO 0.93 0.60 -0.32 0.54 -3.12 0.00 0.00 179.24 177.87 2khe n ARG 72 N -4.57 -0.21 -0.17 3.56 5.12 -1.26 -1.36 116.66 117.77 2khe n ARG 72 Ca 0.11 1.14 0.07 0.00 -1.93 0.00 0.00 57.85 57.24 2khe n ARG 72 Cb 0.12 -1.69 0.10 0.00 -1.16 0.00 0.00 32.46 29.83 2khe n ARG 72 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2khe n GLU 73 N -5.06 1.02 -4.15 5.56 -0.58 -1.10 -5.00 120.64 111.33 2khe n GLU 73 Ca 0.06 -2.15 -0.31 0.00 -0.42 0.00 0.00 57.16 54.34 2khe n GLU 73 Cb 0.28 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.86 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 -1.05 -2.11 -3.14 0.62 0.00 0.46 -4.69 120.51 110.60 2khe n ALA 74 Ca 0.12 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 2khe n ALA 74 Cb 0.64 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 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 -4.11 2.68 -0.15 0.00 2.01 -0.63 -2.20 115.64 113.25 2khe s THR 75 Ca 0.09 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 2khe s THR 75 Cb -0.04 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 2khe s THR 75 CO 0.96 0.54 0.25 -0.69 -0.69 0.00 0.00 174.62 174.98 2khe s VAL 76 N 0.36 5.33 -0.14 3.82 1.01 0.13 -1.70 120.40 129.21 2khe s VAL 76 Ca -0.14 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2khe s VAL 76 Cb -0.17 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2khe s VAL 76 CO 0.07 0.46 -0.08 -0.22 0.00 0.00 0.00 175.10 175.32 2khe s LEU 77 N 0.05 1.48 -0.21 3.92 2.96 -0.83 0.15 118.68 126.20 2khe s LEU 77 Ca 0.15 -0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 2khe s LEU 77 Cb -0.13 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 2khe s LEU 77 CO 0.04 -0.13 1.68 -0.69 -1.32 0.00 0.00 176.35 175.93 2khe s VAL 78 N 1.63 3.60 -0.13 1.68 1.01 -0.64 0.02 120.40 127.56 2khe s VAL 78 Ca 0.03 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 2khe s VAL 78 Cb -0.14 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 2khe s VAL 78 CO -0.08 -0.26 0.15 -0.07 0.00 0.00 0.00 175.10 174.83 2khe h LEU 79 N 11.92 0.00 -8.63 3.92 -0.00 0.10 -2.05 115.31 120.57 2khe h LEU 79 Ca -0.35 -0.27 -0.42 0.00 -0.00 0.00 0.00 57.88 56.84 2khe h LEU 79 Cb 1.16 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.64 2khe h LEU 79 CO 1.00 0.76 -0.76 -0.60 -0.00 0.00 0.00 178.44 178.83 2khe s ARG 80 N -1.92 1.05 -0.10 1.13 6.06 -0.61 -4.18 118.95 120.38 2khe s ARG 80 Ca -0.10 -1.26 -0.03 0.00 -2.50 0.00 0.00 55.73 51.83 2khe s ARG 80 Cb 0.00 -0.93 0.05 0.00 0.06 0.00 0.00 34.95 34.13 2khe s ARG 80 CO 0.25 0.18 0.13 0.54 -2.50 0.00 0.00 175.30 173.90 2khe s VAL 81 N -2.17 -0.20 0.10 7.11 0.11 -1.26 -1.48 120.40 122.62 2khe s VAL 81 Ca 0.10 0.23 -0.25 0.00 -2.93 0.00 0.00 61.98 59.13 2khe s VAL 81 Cb -0.05 -0.35 0.07 0.00 -1.53 0.00 0.00 36.38 34.52 2khe s VAL 81 CO 0.03 0.04 0.61 -0.83 -3.33 0.00 0.00 175.10 171.62 2khe s GLY 82 N 2.24 -0.59 0.64 6.54 0.00 -0.92 -4.82 107.32 110.41 2khe s GLY 82 Ca 0.04 0.68 -0.17 0.00 0.00 0.00 0.00 44.72 45.27 2khe s GLY 82 CO -0.06 0.35 1.16 -1.58 0.00 0.00 0.00 173.10 172.96 2khe s HIS 83 N -3.06 2.43 0.04 1.90 5.65 -1.26 -0.70 115.29 120.29 2khe s HIS 83 Ca -0.02 1.55 -0.09 0.00 0.25 0.00 0.00 55.06 56.75 2khe s HIS 83 Cb -0.01 -3.34 -0.03 0.00 -1.18 0.00 0.00 32.58 28.03 2khe s HIS 83 CO -0.07 -2.03 1.15 0.00 -0.65 0.00 0.00 174.74 173.14 2khe h ALA 84 N 0.36 -0.31 -1.49 1.58 0.00 -1.85 0.42 119.26 117.97 2khe h ALA 84 Ca -0.48 0.01 0.49 0.00 0.00 0.00 0.00 54.91 54.93 2khe h ALA 84 Cb 1.27 0.95 -0.12 0.00 0.00 0.00 0.00 17.79 19.89 2khe h ALA 84 CO 0.54 -0.40 0.99 2.89 0.00 0.00 0.00 179.25 183.27 2khe n ARG 85 N -3.52 -0.03 0.00 0.00 -4.01 -1.26 -1.64 116.66 106.20 2khe n ARG 85 Ca -0.00 1.16 0.00 0.00 -1.04 0.00 0.00 57.85 57.97 2khe n ARG 85 Cb 0.08 -2.38 0.00 0.00 -3.04 0.00 0.00 32.46 27.12 2khe n ARG 85 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2khe n ASP 86 N -4.42 0.00 -4.69 2.89 -0.08 0.13 -4.89 116.55 105.48 2khe n ASP 86 Ca 0.40 0.49 -0.33 0.00 -1.51 0.00 0.00 54.79 53.84 2khe n ASP 86 Cb 1.63 -0.40 0.13 0.00 2.34 0.00 0.00 41.12 44.82 2khe n ASP 86 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2khe s VAL 87 N -1.11 2.08 0.87 5.18 1.01 0.03 -4.92 120.40 123.54 2khe s VAL 87 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2khe s VAL 87 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 2khe s VAL 87 CO 0.00 -0.03 -0.23 -1.22 0.00 0.00 0.00 175.10 173.62 2khe n TYR 88 N -3.46 -3.36 0.00 5.22 4.01 -1.26 -4.76 117.16 113.55 2khe n TYR 88 Ca 0.13 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2khe n TYR 88 Cb 0.51 -1.62 0.00 0.00 -0.31 0.00 0.00 39.34 37.91 2khe n TYR 88 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94