#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khe s GLY 2 N 0.00 2.26 0.59 3.03 0.00 -1.26 -4.85 107.32 107.09 2khe s GLY 2 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 44.72 44.02 2khe s GLY 2 CO 0.00 -0.41 1.08 -0.19 0.00 0.00 0.00 173.10 173.58 2khe s TYR 3 N -1.50 2.86 0.30 1.90 1.51 -1.26 -5.03 117.35 116.14 2khe s TYR 3 Ca 0.36 1.53 -0.19 0.00 -1.01 0.00 0.00 57.07 57.76 2khe s TYR 3 Cb -0.13 -3.08 -0.09 0.00 -0.11 0.00 0.00 41.96 38.55 2khe s TYR 3 CO 0.21 -1.28 0.78 0.50 -1.11 0.00 0.00 175.55 174.66 2khe s ARG 4 N -3.91 4.18 -0.34 -0.62 3.52 -1.11 -4.88 118.95 115.78 2khe s ARG 4 Ca 0.66 0.87 -0.09 0.00 -0.13 0.00 0.00 55.73 57.04 2khe s ARG 4 Cb -0.18 -2.59 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 2khe s ARG 4 CO 0.35 0.22 0.14 0.42 -0.81 0.00 0.00 175.30 175.63 2khe s ILE 5 N -1.81 4.22 0.29 4.11 -1.09 -1.26 -0.79 121.20 124.86 2khe s ILE 5 Ca 0.51 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 58.20 2khe s ILE 5 Cb -0.13 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 2khe s ILE 5 CO 0.19 -0.11 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.03 2khe s GLU 6 N 1.51 1.67 -0.02 2.79 0.41 0.26 -5.02 118.70 120.30 2khe s GLU 6 Ca 0.01 -1.80 0.01 0.00 -0.41 0.00 0.00 54.97 52.79 2khe s GLU 6 Cb -0.18 -1.63 0.01 0.00 -1.78 0.00 0.00 34.13 30.55 2khe s GLU 6 CO 0.05 0.24 -0.03 -0.06 -0.49 0.00 0.00 175.26 174.97 2khe s PHE 7 N -2.63 0.39 0.86 1.61 0.40 -1.26 -1.41 117.98 115.94 2khe s PHE 7 Ca 0.30 -0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 2khe s PHE 7 Cb -0.02 -0.34 0.11 0.00 0.51 0.00 0.00 43.02 43.28 2khe s PHE 7 CO 0.14 -0.07 1.10 -0.51 0.70 0.00 0.00 175.22 176.58 2khe s ASP 8 N 0.40 3.68 0.04 1.36 1.01 -0.30 -4.85 116.67 118.01 2khe s ASP 8 Ca -0.04 1.77 0.15 0.00 0.71 0.00 0.00 52.55 55.14 2khe s ASP 8 Cb -0.07 -2.41 0.66 0.00 1.01 0.00 0.00 42.92 42.11 2khe s ASP 8 CO -0.01 -2.55 1.49 -0.81 0.21 0.00 0.00 175.17 173.51 2khe n PRO 9 N -3.85 0.03 -0.12 8.23 -0.04 -1.26 -2.38 135.00 135.61 2khe n PRO 9 Ca 0.09 0.28 -0.22 0.00 -0.04 0.00 0.00 63.50 63.60 2khe n PRO 9 Cb 0.54 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.61 0.56 -0.05 0.54 5.12 -1.26 -4.41 116.66 115.56 2khe n ARG 10 Ca 0.03 0.38 -0.08 0.00 -1.93 0.00 0.00 57.85 56.24 2khe n ARG 10 Cb 0.17 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 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 -0.85 0.20 -0.92 7.54 0.00 -1.66 -2.32 119.26 121.25 2khe h ALA 11 Ca -0.44 0.06 0.15 0.00 0.00 0.00 0.00 54.91 54.68 2khe h ALA 11 Cb 1.34 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.06 2khe h ALA 11 CO -0.27 -0.42 -0.34 0.39 0.00 0.00 0.00 179.25 178.62 2khe n GLU 12 N -5.13 -0.19 -0.17 0.00 -0.58 -1.00 0.69 120.64 114.26 2khe n GLU 12 Ca -0.02 1.42 -0.10 0.00 -0.42 0.00 0.00 57.16 58.04 2khe n GLU 12 Cb 0.11 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 2khe n GLU 12 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2khe h LYS 13 N 0.00 0.86 -0.63 3.49 1.79 -1.70 -2.27 116.57 118.11 2khe h LYS 13 Ca 0.34 -0.28 0.07 0.00 -2.18 0.00 0.00 60.65 58.61 2khe h LYS 13 Cb 0.57 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.08 2khe h LYS 13 CO -0.92 0.91 0.32 0.93 -1.08 0.00 0.00 179.45 179.60 2khe h GLU 14 N 0.72 0.56 -0.43 3.15 4.39 0.82 -2.03 114.58 121.75 2khe h GLU 14 Ca 0.14 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2khe h GLU 14 Cb 0.52 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2khe h GLU 14 CO 0.03 0.37 0.03 1.25 -1.16 0.00 0.00 179.01 179.52 2khe h LEU 15 N 0.57 0.72 -1.00 1.33 5.85 -0.38 -2.90 115.31 119.50 2khe h LEU 15 Ca 0.30 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.87 2khe h LEU 15 Cb 0.26 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2khe h LEU 15 CO -0.22 0.83 0.62 -0.33 -0.34 0.00 0.00 178.44 179.00 2khe h GLU 16 N 0.59 0.90 -0.85 1.25 5.08 -0.79 -0.66 114.58 120.09 2khe h GLU 16 Ca 0.13 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2khe h GLU 16 Cb 0.44 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2khe h GLU 16 CO 0.02 0.60 0.52 0.87 -1.00 0.00 0.00 179.01 180.02 2khe h LYS 17 N 0.93 1.15 -6.78 2.33 1.57 -1.19 -3.44 116.57 111.15 2khe h LYS 17 Ca 0.52 -0.10 -0.36 0.00 -1.87 0.00 0.00 60.65 58.84 2khe h LYS 17 Cb 0.59 -0.24 0.20 0.00 0.08 0.00 0.00 32.23 32.86 2khe h LYS 17 CO -0.30 0.80 -0.22 1.28 -0.57 0.00 0.00 179.45 180.44 2khe n LEU 18 N -4.44 -0.95 -4.72 2.94 4.77 -0.26 -4.95 117.00 109.40 2khe n LEU 18 Ca 0.09 -0.61 -0.32 0.00 -0.03 0.00 0.00 56.01 55.15 2khe n LEU 18 Cb 0.05 -1.01 0.12 0.00 -2.33 0.00 0.00 43.42 40.26 2khe n LEU 18 CO 0.37 -4.03 0.71 -0.62 -1.33 0.00 0.00 177.39 172.49 2khe s ASP 19 N -2.65 3.76 0.04 -1.43 2.15 -1.26 -4.88 116.67 112.39 2khe s ASP 19 Ca 0.61 2.08 -0.21 0.00 0.43 0.00 0.00 52.55 55.47 2khe s ASP 19 Cb -0.14 -2.55 -0.15 0.00 -0.30 0.00 0.00 42.92 39.78 2khe s ASP 19 CO 0.55 -2.54 1.34 -0.09 -0.17 0.00 0.00 175.17 174.26 2khe h ARG 20 N -1.28 0.34 0.05 4.34 2.43 -1.92 -2.08 114.38 116.26 2khe h ARG 20 Ca -0.44 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2khe h ARG 20 Cb 1.26 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2khe h ARG 20 CO 0.47 0.73 -0.02 1.49 -1.51 0.00 0.00 179.97 181.12 2khe h GLU 21 N -0.04 -0.06 -0.20 0.20 4.81 -2.00 -2.14 114.58 115.14 2khe h GLU 21 Ca 0.02 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2khe h GLU 21 Cb 0.67 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 2khe h GLU 21 CO 0.03 0.03 -0.03 0.28 -0.73 0.00 0.00 179.01 178.59 2khe h VAL 22 N -0.14 0.82 -0.45 0.32 2.07 -1.95 -1.35 116.25 115.56 2khe h VAL 22 Ca -0.01 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2khe h VAL 22 Cb 0.12 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 2khe h VAL 22 CO 0.01 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.61 2khe h ALA 23 N 1.19 0.42 -0.24 1.67 0.00 -1.27 -0.91 119.26 120.13 2khe h ALA 23 Ca 0.10 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2khe h ALA 23 Cb 0.14 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2khe h ALA 23 CO -0.19 -0.38 0.11 0.00 0.00 0.00 0.00 179.25 178.78 2khe h ARG 24 N 0.12 0.23 -0.65 0.00 3.08 -0.95 -1.15 114.38 115.06 2khe h ARG 24 Ca 0.22 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.33 2khe h ARG 24 Cb 0.32 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 2khe h ARG 24 CO -0.36 0.15 0.32 -0.09 -1.07 0.00 0.00 179.97 178.92 2khe h ARG 25 N 0.24 0.56 0.80 0.04 2.43 -0.54 0.41 114.38 118.32 2khe h ARG 25 Ca 0.10 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2khe h ARG 25 Cb 0.04 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2khe h ARG 25 CO -0.08 0.37 -0.38 0.82 -1.51 0.00 0.00 179.97 179.19 2khe h ILE 26 N 0.57 0.00 -0.57 1.20 2.04 -0.78 0.10 117.51 120.08 2khe h ILE 26 Ca 0.31 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 66.18 2khe h ILE 26 Cb 0.28 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.26 2khe h ILE 26 CO -0.23 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 177.78 2khe h LEU 27 N -1.18 -0.38 -0.54 1.44 3.38 -1.08 -0.49 115.31 116.46 2khe h LEU 27 Ca -0.11 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2khe h LEU 27 Cb 0.82 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2khe h LEU 27 CO 0.18 -0.14 0.32 0.03 0.09 0.00 0.00 178.44 178.91 2khe h ARG 28 N 0.06 0.73 -0.80 1.13 2.47 -0.89 0.27 114.38 117.35 2khe h ARG 28 Ca 0.29 -0.07 0.15 0.00 -1.26 0.00 0.00 59.98 59.08 2khe h ARG 28 Cb 0.45 -0.15 -0.06 0.00 -1.65 0.00 0.00 29.97 28.57 2khe h ARG 28 CO -0.54 0.54 0.53 0.35 0.56 0.00 0.00 179.97 181.41 2khe h PHE 29 N 0.72 0.61 0.00 3.04 3.57 0.81 1.98 116.94 127.67 2khe h PHE 29 Ca 0.19 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 2khe h PHE 29 Cb -0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2khe h PHE 29 CO -0.02 0.23 -1.23 -0.07 -2.23 0.00 0.00 178.31 174.99 2khe h LEU 30 N 0.52 0.00 -0.33 0.59 3.38 -0.70 -2.13 115.31 116.64 2khe h LEU 30 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2khe h LEU 30 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2khe h LEU 30 CO -0.15 0.50 -0.48 0.54 0.09 0.00 0.00 178.44 178.94 2khe n ARG 31 N -2.92 0.49 0.00 1.13 1.74 0.89 -1.63 116.66 116.36 2khe n ARG 31 Ca -0.07 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.68 2khe n ARG 31 Cb 0.79 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.97 0.00 0.00 5.56 -0.58 0.65 -4.48 120.64 120.83 2khe n GLU 32 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2khe n GLU 32 Cb 0.36 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 31.14 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 -2.38 0.00 0.01 3.49 5.12 -0.83 -1.16 116.66 120.92 2khe n ARG 33 Ca 0.00 0.49 -0.10 0.00 -1.93 0.00 0.00 57.85 56.32 2khe n ARG 33 Cb 0.00 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 29.84 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 0.70 -0.76 1.55 2.07 -1.65 0.14 116.25 118.30 2khe h VAL 34 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2khe h VAL 34 Cb 0.00 0.70 -0.14 0.00 -1.52 0.00 0.00 31.29 30.32 2khe h VAL 34 CO 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.36 2khe h ALA 35 N 0.93 0.41 -0.04 1.67 0.00 -1.35 -1.41 119.26 119.47 2khe h ALA 35 Ca 0.08 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2khe h ALA 35 Cb 0.24 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2khe h ALA 35 CO -0.19 -0.46 -0.06 1.79 0.00 0.00 0.00 179.25 180.33 2khe h THR 36 N -0.02 1.41 -0.86 0.00 1.35 -0.72 -3.42 112.91 110.64 2khe h THR 36 Ca 0.35 -1.31 -0.84 0.00 -0.55 0.00 0.00 66.41 64.06 2khe h THR 36 Cb 0.57 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2khe h THR 36 CO -0.80 0.36 0.85 0.18 -0.25 0.00 0.00 175.52 175.86 2khe n LEU 37 N -4.73 1.25 -0.33 3.87 4.77 0.46 -4.75 117.00 117.55 2khe n LEU 37 Ca -0.08 1.07 0.25 0.00 -0.03 0.00 0.00 56.01 57.22 2khe n LEU 37 Cb 0.31 -0.92 0.48 0.00 -2.33 0.00 0.00 43.42 40.97 2khe n LEU 37 CO 0.36 -0.78 1.02 -0.33 -1.33 0.00 0.00 177.39 176.32 2khe h GLU 38 N 6.13 0.11 -4.85 3.23 4.39 -1.86 -3.39 114.58 118.34 2khe h GLU 38 Ca -0.37 -0.01 -0.40 0.00 0.34 0.00 0.00 59.36 58.92 2khe h GLU 38 Cb 1.37 -0.02 -0.28 0.00 -0.10 0.00 0.00 28.75 29.72 2khe h GLU 38 CO 1.00 0.07 -0.78 0.34 -1.16 0.00 0.00 179.01 178.48 2khe s ASP 39 N -4.76 1.18 0.19 1.42 -1.08 -1.26 -4.69 116.67 107.66 2khe s ASP 39 Ca -0.10 -0.22 0.21 0.00 -0.52 0.00 0.00 52.55 51.91 2khe s ASP 39 Cb 0.31 -0.12 0.88 0.00 -1.46 0.00 0.00 42.92 42.54 2khe s ASP 39 CO 0.78 0.09 1.64 -0.81 0.52 0.00 0.00 175.17 177.39 2khe n PRO 40 N 2.67 0.14 -0.75 4.34 -0.04 -1.26 -3.32 135.00 136.78 2khe n PRO 40 Ca -0.14 0.38 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2khe n PRO 40 Cb 0.56 -1.77 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2khe n PRO 40 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2khe n ARG 41 N -2.03 1.50 -0.04 0.54 5.12 -1.26 -3.90 116.66 116.58 2khe n ARG 41 Ca 0.02 -0.96 -0.08 0.00 -1.93 0.00 0.00 57.85 54.90 2khe n ARG 41 Cb 0.21 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 2khe n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2khe n SER 42 N 0.83 1.56 -4.60 0.55 2.88 -1.21 -5.03 113.62 108.59 2khe n SER 42 Ca 0.19 0.06 -0.34 0.00 -1.33 0.00 0.00 58.87 57.45 2khe n SER 42 Cb 0.55 -0.22 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 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 -6.15 3.23 0.00 2.46 1.43 -1.25 -5.03 118.68 113.37 2khe s LEU 43 Ca -0.12 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2khe s LEU 43 Cb 0.04 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2khe s LEU 43 CO 0.17 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.71 2khe n GLY 44 N 2.06 -3.52 3.00 -3.19 0.00 -1.26 -4.87 105.19 97.42 2khe n GLY 44 Ca -0.17 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.81 0.40 0.86 1.61 -1.05 -0.58 -4.96 118.70 114.16 2khe s GLU 45 Ca 0.00 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 54.16 2khe s GLU 45 Cb 0.00 -0.18 0.11 0.00 -0.44 0.00 0.00 34.13 33.61 2khe s GLU 45 CO 0.00 0.03 1.09 -1.25 0.95 0.00 0.00 175.26 176.08 2khe s PRO 46 N -1.14 1.57 -0.09 -4.83 0.04 -1.26 -0.75 135.00 128.53 2khe s PRO 46 Ca -0.08 0.92 0.04 0.00 0.04 0.00 0.00 61.00 61.92 2khe s PRO 46 Cb -0.08 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 2khe s PRO 46 CO -0.00 -2.05 -0.23 -1.17 0.04 0.00 0.00 177.00 173.58 2khe s LEU 47 N -6.13 2.05 -0.05 -3.56 0.20 0.38 -4.79 118.68 106.79 2khe s LEU 47 Ca 0.63 -0.53 0.01 0.00 0.69 0.00 0.00 54.13 54.92 2khe s LEU 47 Cb -0.18 -1.35 0.02 0.00 -0.43 0.00 0.00 46.19 44.25 2khe s LEU 47 CO 0.57 0.16 -0.04 -0.60 -0.29 0.00 0.00 176.35 176.15 2khe s ARG 48 N 0.31 0.79 0.00 1.98 3.52 -1.25 -3.41 118.95 120.90 2khe s ARG 48 Ca -0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2khe s ARG 48 Cb -0.17 -0.86 0.00 0.00 -1.56 0.00 0.00 34.95 32.36 2khe s ARG 48 CO 0.08 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2khe n GLY 49 N 4.21 2.26 0.00 8.12 0.00 -1.26 -4.94 105.19 113.58 2khe n GLY 49 Ca -0.22 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.04 2khe n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2khe n PRO 50 N -0.68 0.06 -0.04 1.61 -0.04 -1.26 -2.08 135.00 132.57 2khe n PRO 50 Ca 0.00 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2khe n PRO 50 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 2khe n PRO 50 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2khe h GLU 51 N 0.00 -0.00 0.00 0.54 4.39 -2.03 -3.45 114.58 114.03 2khe h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2khe h GLU 51 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2khe h GLU 51 CO 0.00 0.71 0.00 1.28 -1.16 0.00 0.00 179.01 179.84 2khe n LEU 52 N -4.75 0.00 0.00 1.33 4.77 -1.18 -5.14 117.00 112.04 2khe n LEU 52 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2khe n LEU 52 Cb 0.35 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2khe n LEU 52 CO 0.33 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2khe n GLY 53 N 3.35 1.08 3.23 -0.72 0.00 -0.88 -4.96 105.19 106.28 2khe n GLY 53 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 2.56 -0.02 1.61 3.00 -1.26 -3.83 118.95 121.01 2khe s ARG 54 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 55.73 53.81 2khe s ARG 54 Cb 0.00 -3.99 0.03 0.00 0.00 0.00 0.00 34.95 30.99 2khe s ARG 54 CO 0.00 -1.22 0.34 -0.06 0.00 0.00 0.00 175.30 174.36 2khe s PHE 55 N 1.40 -0.22 0.21 -0.53 0.08 -1.22 -4.95 117.98 112.74 2khe s PHE 55 Ca 0.05 0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.49 2khe s PHE 55 Cb -0.27 0.12 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 2khe s PHE 55 CO -0.00 -0.40 0.35 -0.46 -0.10 0.00 0.00 175.22 174.61 2khe s TRP 56 N -1.25 3.47 0.07 0.36 -0.11 -0.13 0.15 118.94 121.50 2khe s TRP 56 Ca -0.13 0.10 0.03 0.00 1.22 0.00 0.00 56.10 57.32 2khe s TRP 56 Cb -0.05 -1.66 -0.03 0.00 -1.50 0.00 0.00 33.47 30.23 2khe s TRP 56 CO 0.04 0.44 -0.09 0.15 -4.62 0.00 0.00 176.95 172.87 2khe s LYS 57 N -3.65 0.69 -0.04 5.86 1.02 0.07 -0.61 119.74 123.07 2khe s LYS 57 Ca 0.35 -0.95 0.03 0.00 0.02 0.00 0.00 55.97 55.42 2khe s LYS 57 Cb -0.10 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.77 2khe s LYS 57 CO 0.29 0.08 -0.14 0.71 -0.92 0.00 0.00 175.35 175.37 2khe s TYR 58 N -1.85 1.42 -0.19 3.18 2.02 0.10 -1.53 117.35 120.51 2khe s TYR 58 Ca -0.03 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.19 2khe s TYR 58 Cb -0.07 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2khe s TYR 58 CO 0.00 -0.16 0.05 0.50 -1.57 0.00 0.00 175.55 174.37 2khe s ARG 59 N 0.18 3.89 -0.48 -0.62 3.52 -1.26 -1.43 118.95 122.74 2khe s ARG 59 Ca -0.05 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2khe s ARG 59 Cb -0.11 -3.18 0.15 0.00 -1.56 0.00 0.00 34.95 30.25 2khe s ARG 59 CO 0.02 0.21 0.32 0.08 -0.81 0.00 0.00 175.30 175.12 2khe s VAL 60 N 0.52 1.39 0.00 7.11 1.01 -0.41 -4.97 120.40 125.04 2khe s VAL 60 Ca 0.02 -2.90 0.00 0.00 0.00 0.00 0.00 61.98 59.10 2khe s VAL 60 Cb -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2khe s VAL 60 CO 0.01 -1.01 0.00 0.61 0.00 0.00 0.00 175.10 174.71 2khe n GLY 61 N 3.06 0.42 2.39 4.51 0.00 -1.26 -1.83 105.19 112.48 2khe n GLY 61 Ca 0.17 0.64 -0.15 0.00 0.00 0.00 0.00 46.02 46.68 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 3.16 3.51 -3.72 1.61 8.00 -1.26 -4.98 116.55 122.87 2khe n ASP 62 Ca 0.00 -3.07 -0.12 0.00 0.71 0.00 0.00 54.79 52.31 2khe n ASP 62 Cb 0.00 -0.41 -0.11 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 -3.64 -0.45 -0.00 1.24 1.51 -0.76 -1.35 117.35 113.90 2khe s TYR 63 Ca 0.41 1.02 -0.01 0.00 -1.01 0.00 0.00 57.07 57.49 2khe s TYR 63 Cb 0.38 0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 42.35 2khe s TYR 63 CO -0.01 -0.26 0.10 1.03 -1.11 0.00 0.00 175.55 175.30 2khe s ARG 64 N 0.96 3.12 -0.04 -0.62 1.81 0.12 -1.29 118.95 123.01 2khe s ARG 64 Ca -0.06 -0.47 -0.01 0.00 -1.72 0.00 0.00 55.73 53.47 2khe s ARG 64 Cb -0.07 -2.89 0.03 0.00 -0.45 0.00 0.00 34.95 31.57 2khe s ARG 64 CO -0.07 0.65 0.02 -0.51 -0.68 0.00 0.00 175.30 174.70 2khe s LEU 65 N -1.80 0.73 -0.55 2.53 1.43 -0.52 -2.06 118.68 118.44 2khe s LEU 65 Ca 0.24 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 2khe s LEU 65 Cb -0.12 -0.24 0.12 0.00 0.03 0.00 0.00 46.19 45.98 2khe s LEU 65 CO 0.15 -0.17 0.55 -0.63 0.23 0.00 0.00 176.35 176.49 2khe s ILE 66 N 1.58 5.11 0.32 -0.59 -1.09 -0.60 0.03 121.20 125.96 2khe s ILE 66 Ca -0.02 -1.38 0.07 0.00 -2.23 0.00 0.00 60.65 57.09 2khe s ILE 66 Cb -0.13 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.35 2khe s ILE 66 CO -0.03 -0.94 0.31 0.00 -1.23 0.00 0.00 174.94 173.06 2khe s HIS 68 N -2.25 1.96 -0.31 0.00 2.46 0.69 -0.95 115.29 116.89 2khe s HIS 68 Ca 0.40 -1.34 -0.27 0.00 0.47 0.00 0.00 55.06 54.33 2khe s HIS 68 Cb -0.07 -1.42 0.01 0.00 -0.13 0.00 0.00 32.58 30.97 2khe s HIS 68 CO 0.27 -0.68 0.98 0.42 -2.47 0.00 0.00 174.74 173.26 2khe s ILE 69 N 1.55 4.62 -0.72 0.89 1.01 -1.26 -1.82 121.20 125.46 2khe s ILE 69 Ca -0.02 1.58 -0.15 0.00 0.00 0.00 0.00 60.65 62.07 2khe s ILE 69 Cb -0.17 -4.32 0.18 0.00 0.01 0.00 0.00 42.46 38.17 2khe s ILE 69 CO -0.07 -0.38 0.66 -1.10 0.00 0.00 0.00 174.94 174.05 2khe s GLN 70 N 3.38 3.36 0.30 2.79 -0.21 -0.20 -4.91 119.66 124.17 2khe s GLN 70 Ca 0.41 -2.18 0.05 0.00 0.02 0.00 0.00 55.36 53.67 2khe s GLN 70 Cb -0.13 -4.37 0.71 0.00 1.00 0.00 0.00 33.01 30.22 2khe s GLN 70 CO 0.14 -1.30 1.79 -0.44 -2.12 0.00 0.00 175.29 173.35 2khe h ASP 71 N 8.20 0.81 -0.83 5.90 5.19 -1.94 0.57 116.42 134.31 2khe h ASP 71 Ca -0.05 0.09 0.09 0.00 -0.62 0.00 0.00 57.03 56.54 2khe h ASP 71 Cb 1.06 -0.06 -0.11 0.00 0.18 0.00 0.00 39.33 40.40 2khe h ASP 71 CO 0.86 0.32 -0.43 0.54 -3.12 0.00 0.00 179.24 177.41 2khe n ARG 72 N -4.73 -0.30 -0.61 3.56 1.74 -1.26 -1.57 116.66 113.49 2khe n ARG 72 Ca 0.22 1.26 0.06 0.00 -0.77 0.00 0.00 57.85 58.63 2khe n ARG 72 Cb 0.53 -1.86 0.17 0.00 -1.02 0.00 0.00 32.46 30.28 2khe n ARG 72 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2khe n GLU 73 N -5.10 1.29 -4.08 5.56 -0.58 -0.93 -4.99 120.64 111.81 2khe n GLU 73 Ca 0.04 -2.95 -0.32 0.00 -0.42 0.00 0.00 57.16 53.51 2khe n GLU 73 Cb 0.26 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 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 -2.06 -3.33 0.62 0.00 0.19 -4.74 120.51 110.24 2khe n ALA 74 Ca 0.16 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 2khe n ALA 74 Cb 0.74 -1.21 -0.17 0.00 0.00 0.00 0.00 19.45 18.81 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 -4.05 1.56 -0.05 0.00 2.01 -0.80 -2.77 115.64 111.54 2khe s THR 75 Ca 0.15 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 2khe s THR 75 Cb -0.08 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 2khe s THR 75 CO 0.87 0.45 0.28 -0.69 -0.69 0.00 0.00 174.62 174.84 2khe s VAL 76 N 0.50 5.25 -0.06 3.82 1.01 0.03 -1.03 120.40 129.92 2khe s VAL 76 Ca -0.16 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2khe s VAL 76 Cb -0.17 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2khe s VAL 76 CO 0.06 0.57 -0.06 -0.22 0.00 0.00 0.00 175.10 175.46 2khe s LEU 77 N -1.14 1.27 -0.15 3.92 2.96 -0.76 -0.58 118.68 124.21 2khe s LEU 77 Ca 0.21 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.65 2khe s LEU 77 Cb -0.14 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 2khe s LEU 77 CO 0.10 -0.06 1.16 -0.69 -1.32 0.00 0.00 176.35 175.54 2khe s VAL 78 N 1.11 4.43 -0.16 1.68 1.01 -0.50 -0.22 120.40 127.76 2khe s VAL 78 Ca -0.08 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 2khe s VAL 78 Cb -0.14 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 2khe s VAL 78 CO -0.01 -0.10 -0.07 -0.07 0.00 0.00 0.00 175.10 174.85 2khe h LEU 79 N 9.09 0.00 -8.41 3.92 3.38 -0.72 -0.79 115.31 121.78 2khe h LEU 79 Ca -0.27 -0.13 -0.39 0.00 0.09 0.00 0.00 57.88 57.18 2khe h LEU 79 Cb 1.11 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 2khe h LEU 79 CO 0.94 0.93 -0.77 -0.60 0.09 0.00 0.00 178.44 179.03 2khe s ARG 80 N -2.25 0.81 -0.06 1.13 6.06 -1.12 -3.86 118.95 119.67 2khe s ARG 80 Ca -0.18 -0.98 -0.01 0.00 -2.50 0.00 0.00 55.73 52.06 2khe s ARG 80 Cb 0.03 -0.76 0.03 0.00 0.06 0.00 0.00 34.95 34.31 2khe s ARG 80 CO 0.31 0.16 0.02 0.54 -2.50 0.00 0.00 175.30 173.83 2khe s VAL 81 N -1.45 0.23 0.11 7.11 0.11 -1.26 -1.55 120.40 123.70 2khe s VAL 81 Ca -0.01 0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 2khe s VAL 81 Cb -0.09 -0.41 0.07 0.00 -1.53 0.00 0.00 36.38 34.41 2khe s VAL 81 CO 0.02 0.23 0.60 -0.83 -3.33 0.00 0.00 175.10 171.79 2khe s GLY 82 N 1.95 -0.58 0.98 6.54 0.00 -0.87 -4.73 107.32 110.61 2khe s GLY 82 Ca 0.04 0.62 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 2khe s GLY 82 CO -0.04 0.29 0.24 1.57 0.00 0.00 0.00 173.10 175.17 2khe n HIS 83 N -0.07 -1.71 -0.28 1.90 -0.00 -1.26 0.16 115.22 113.96 2khe n HIS 83 Ca -0.17 0.20 0.24 0.00 -0.00 0.00 0.00 57.72 57.99 2khe n HIS 83 Cb 0.63 -1.72 0.56 0.00 -0.00 0.00 0.00 29.99 29.46 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 -1.60 2.40 0.03 1.57 0.00 -1.45 0.38 119.26 120.58 2khe h ALA 84 Ca -0.45 0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 2khe h ALA 84 Cb 1.30 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2khe h ALA 84 CO 0.34 -0.74 -2.34 2.89 0.00 0.00 0.00 179.25 179.40 2khe n ARG 85 N -4.49 0.68 0.32 0.00 1.85 -1.26 -4.54 116.66 109.21 2khe n ARG 85 Ca 0.23 0.16 -0.19 0.00 -1.00 0.00 0.00 57.85 57.05 2khe n ARG 85 Cb 0.87 -1.57 -0.10 0.00 -1.05 0.00 0.00 32.46 30.61 2khe n ARG 85 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 2khe h ASP 86 N 0.02 -1.37 -1.36 2.89 3.58 -1.69 -1.72 116.42 116.76 2khe h ASP 86 Ca -0.53 0.10 0.42 0.00 0.42 0.00 0.00 57.03 57.44 2khe h ASP 86 Cb 1.97 0.44 -0.08 0.00 1.72 0.00 0.00 39.33 43.38 2khe h ASP 86 CO -0.03 -0.69 0.95 0.55 -2.88 0.00 0.00 179.24 177.14 2khe n VAL 87 N -5.58 -0.06 -2.55 2.25 3.14 0.06 0.15 118.33 115.74 2khe n VAL 87 Ca -0.13 1.22 -0.23 0.00 -2.96 0.00 0.00 64.34 62.25 2khe n VAL 87 Cb 0.47 -2.02 0.01 0.00 -1.06 0.00 0.00 33.84 31.24 2khe n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2khe n TYR 88 N -3.72 2.87 1.08 1.45 4.19 -0.69 -5.01 117.16 117.33 2khe n TYR 88 Ca 0.33 -3.08 0.09 0.00 3.31 0.00 0.00 57.90 58.55 2khe n TYR 88 Cb 1.43 -0.17 0.51 0.00 0.49 0.00 0.00 39.34 41.61 2khe n TYR 88 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66