#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 0.81 3.76 -5.12 0.00 -1.26 -5.04 105.19 98.33 2khe n GLY 2 Ca 0.00 -1.97 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.15 2.85 0.08 1.61 1.51 -1.26 -4.96 117.35 115.03 2khe s TYR 3 Ca 0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2khe s TYR 3 Cb 0.00 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2khe s TYR 3 CO 0.00 0.44 0.31 0.50 -1.11 0.00 0.00 175.55 175.69 2khe s ARG 4 N -3.83 3.58 -0.33 -0.62 3.52 -1.09 -4.94 118.95 115.24 2khe s ARG 4 Ca 0.35 -0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.75 2khe s ARG 4 Cb -0.06 -2.97 0.04 0.00 -1.56 0.00 0.00 34.95 30.41 2khe s ARG 4 CO 0.23 0.56 0.09 0.42 -0.81 0.00 0.00 175.30 175.79 2khe s ILE 5 N -1.50 3.71 0.24 4.11 -1.09 -1.26 -1.08 121.20 124.32 2khe s ILE 5 Ca 0.35 -1.14 0.09 0.00 -2.23 0.00 0.00 60.65 57.72 2khe s ILE 5 Cb -0.13 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 2khe s ILE 5 CO 0.22 -0.16 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.01 2khe s GLU 6 N 1.39 1.48 -0.05 2.79 0.41 -0.46 -5.02 118.70 119.23 2khe s GLU 6 Ca -0.02 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 52.87 2khe s GLU 6 Cb -0.19 -1.34 0.02 0.00 -1.78 0.00 0.00 34.13 30.84 2khe s GLU 6 CO 0.02 0.21 -0.04 -0.06 -0.49 0.00 0.00 175.26 174.91 2khe s PHE 7 N -2.83 0.76 0.97 1.61 0.40 -1.26 -1.48 117.98 116.14 2khe s PHE 7 Ca 0.26 -0.22 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 2khe s PHE 7 Cb -0.01 -0.72 0.18 0.00 0.51 0.00 0.00 43.02 42.98 2khe s PHE 7 CO 0.10 -0.23 1.11 -0.51 0.70 0.00 0.00 175.22 176.39 2khe s ASP 8 N 1.18 2.53 0.02 1.36 1.01 -0.73 -4.79 116.67 117.25 2khe s ASP 8 Ca -0.07 1.98 0.15 0.00 0.71 0.00 0.00 52.55 55.32 2khe s ASP 8 Cb -0.14 -2.49 0.64 0.00 1.01 0.00 0.00 42.92 41.95 2khe s ASP 8 CO -0.01 -3.31 1.48 -0.81 0.21 0.00 0.00 175.17 172.72 2khe n PRO 9 N -4.36 0.02 -0.12 8.23 -0.04 -1.26 -2.32 135.00 135.15 2khe n PRO 9 Ca 0.09 0.27 -0.26 0.00 -0.04 0.00 0.00 63.50 63.57 2khe n PRO 9 Cb 0.53 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.57 0.60 0.03 0.54 3.00 -1.26 -4.43 116.66 113.58 2khe n ARG 10 Ca 0.03 0.35 -0.12 0.00 -0.01 0.00 0.00 57.85 58.10 2khe n ARG 10 Cb 0.17 -1.59 -0.07 0.00 0.00 0.00 0.00 32.46 30.97 2khe n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2khe h ALA 11 N -0.67 0.01 -0.88 7.54 0.00 -1.68 -2.36 119.26 121.22 2khe h ALA 11 Ca -0.57 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.54 2khe h ALA 11 Cb 1.58 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.20 2khe h ALA 11 CO -0.29 -0.48 -0.12 0.39 0.00 0.00 0.00 179.25 178.74 2khe n GLU 12 N -5.07 -0.08 -0.06 0.00 1.02 -0.98 0.10 120.64 115.57 2khe n GLU 12 Ca -0.07 1.36 -0.15 0.00 -0.02 0.00 0.00 57.16 58.28 2khe n GLU 12 Cb 0.04 -2.08 -0.06 0.00 -0.02 0.00 0.00 31.44 29.32 2khe n GLU 12 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2khe h LYS 13 N 0.00 0.69 -0.23 3.49 1.79 -1.72 -1.33 116.57 119.26 2khe h LYS 13 Ca 0.47 -0.46 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 2khe h LYS 13 Cb 0.83 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 2khe h LYS 13 CO -0.88 1.08 0.17 0.93 -1.08 0.00 0.00 179.45 179.67 2khe h GLU 14 N 0.39 0.00 0.00 3.15 4.39 0.12 -0.96 114.58 121.67 2khe h GLU 14 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2khe h GLU 14 Cb 1.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 2khe h GLU 14 CO 0.10 0.00 -1.52 1.25 -1.16 0.00 0.00 179.01 177.68 2khe h LEU 15 N 0.00 0.00 -1.25 1.33 5.85 -0.44 -3.34 115.31 117.45 2khe h LEU 15 Ca 0.11 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2khe h LEU 15 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2khe h LEU 15 CO -0.00 0.87 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.45 2khe h GLU 16 N 0.00 0.27 0.00 1.25 4.39 -0.00 -2.14 114.58 118.35 2khe h GLU 16 Ca -0.22 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 2khe h GLU 16 Cb 1.86 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.47 2khe h GLU 16 CO 0.08 0.46 -0.21 1.57 -1.16 0.00 0.00 179.01 179.75 2khe h LYS 17 N 0.25 0.00 -7.36 2.33 5.09 -1.50 -3.45 116.57 111.93 2khe h LYS 17 Ca 0.05 0.00 -0.48 0.00 0.09 0.00 0.00 60.65 60.31 2khe h LYS 17 Cb 0.49 0.00 0.14 0.00 0.10 0.00 0.00 32.23 32.96 2khe h LYS 17 CO 0.03 0.21 0.27 -0.51 -2.09 0.00 0.00 179.45 177.36 2khe s LEU 18 N -6.57 2.27 0.85 7.07 1.43 -0.81 -4.98 118.68 117.94 2khe s LEU 18 Ca 0.02 1.41 -0.14 0.00 -1.03 0.00 0.00 54.13 54.39 2khe s LEU 18 Cb 0.09 -3.85 0.03 0.00 0.03 0.00 0.00 46.19 42.49 2khe s LEU 18 CO 0.64 -2.53 0.65 -0.67 0.23 0.00 0.00 176.35 174.67 2khe n ASP 19 N -3.81 -1.04 0.23 2.29 2.03 -1.26 -4.82 116.55 110.18 2khe n ASP 19 Ca 0.07 0.47 -0.12 0.00 0.52 0.00 0.00 54.79 55.73 2khe n ASP 19 Cb 0.56 -1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 39.61 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 -1.07 -0.62 -0.26 -0.67 2.47 -1.93 -2.10 114.38 110.20 2khe h ARG 20 Ca -0.45 0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.38 2khe h ARG 20 Cb 1.31 0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 29.69 2khe h ARG 20 CO 0.40 -0.33 -0.28 1.49 0.56 0.00 0.00 179.97 181.81 2khe h GLU 21 N -1.06 -0.27 -0.07 0.04 4.81 -2.00 -1.93 114.58 114.10 2khe h GLU 21 Ca -0.07 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2khe h GLU 21 Cb 0.57 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 2khe h GLU 21 CO 0.11 -0.18 -0.29 0.28 -0.73 0.00 0.00 179.01 178.20 2khe h VAL 22 N -0.28 0.35 -0.70 0.32 2.07 -1.95 -1.37 116.25 114.69 2khe h VAL 22 Ca 0.14 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.80 2khe h VAL 22 Cb 0.50 0.35 -0.13 0.00 -1.52 0.00 0.00 31.29 30.49 2khe h VAL 22 CO -0.42 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.03 2khe h ALA 23 N 0.43 0.51 -0.96 1.67 0.00 -0.82 0.24 119.26 120.33 2khe h ALA 23 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2khe h ALA 23 Cb 0.51 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2khe h ALA 23 CO -0.29 -0.42 0.61 0.00 0.00 0.00 0.00 179.25 179.15 2khe h ARG 24 N 0.02 1.27 -0.95 0.00 -0.00 -0.71 -1.60 114.38 112.41 2khe h ARG 24 Ca 0.34 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.74 2khe h ARG 24 Cb 0.54 -0.28 -0.05 0.00 0.00 0.00 0.00 29.97 30.18 2khe h ARG 24 CO -0.71 0.86 0.60 -0.09 0.00 0.00 0.00 179.97 180.63 2khe h ARG 25 N 1.30 1.27 0.44 0.04 2.43 0.49 -1.85 114.38 118.50 2khe h ARG 25 Ca 0.35 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2khe h ARG 25 Cb -0.12 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.16 2khe h ARG 25 CO -0.07 0.87 -0.21 0.82 -1.51 0.00 0.00 179.97 179.86 2khe h ILE 26 N 1.30 0.00 -0.82 1.20 2.04 -0.58 -2.07 117.51 118.59 2khe h ILE 26 Ca 0.34 -0.32 0.16 0.00 1.00 0.00 0.00 64.86 66.04 2khe h ILE 26 Cb -0.10 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.83 2khe h ILE 26 CO -0.07 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.80 2khe h LEU 27 N -0.91 -0.79 -0.44 1.44 3.38 -1.31 0.25 115.31 116.93 2khe h LEU 27 Ca -0.06 0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2khe h LEU 27 Cb 0.45 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2khe h LEU 27 CO 0.10 -0.27 0.26 0.03 0.09 0.00 0.00 178.44 178.64 2khe h ARG 28 N -0.01 0.50 -0.74 1.13 2.47 -1.40 0.52 114.38 116.85 2khe h ARG 28 Ca 0.39 -0.03 0.16 0.00 -1.26 0.00 0.00 59.98 59.24 2khe h ARG 28 Cb 0.60 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 2khe h ARG 28 CO -0.84 0.33 0.50 0.35 0.56 0.00 0.00 179.97 180.87 2khe h PHE 29 N 0.52 0.40 0.00 3.04 3.57 0.22 1.61 116.94 126.30 2khe h PHE 29 Ca 0.18 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.44 2khe h PHE 29 Cb 0.02 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2khe h PHE 29 CO -0.07 0.15 -1.61 -0.07 -2.23 0.00 0.00 178.31 174.48 2khe h LEU 30 N 0.34 0.00 -0.13 0.59 3.38 -0.37 -2.44 115.31 116.67 2khe h LEU 30 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2khe h LEU 30 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2khe h LEU 30 CO -0.10 0.87 -0.34 0.54 0.09 0.00 0.00 178.44 179.50 2khe n ARG 31 N -3.00 0.25 0.00 1.13 1.74 0.17 -2.58 116.66 114.37 2khe n ARG 31 Ca -0.14 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 2khe n ARG 31 Cb 0.99 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 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 -1.26 0.00 0.02 5.56 -0.58 0.53 -4.37 120.64 120.55 2khe n GLU 32 Ca 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2khe n GLU 32 Cb 0.33 -0.08 -0.01 0.00 -0.57 0.00 0.00 31.44 31.11 2khe n GLU 32 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khe h ARG 33 N 0.00 -0.10 -0.11 3.49 2.47 -1.56 0.23 114.38 118.79 2khe h ARG 33 Ca 0.00 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2khe h ARG 33 Cb 0.00 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2khe h ARG 33 CO 0.00 -0.07 0.09 0.28 0.56 0.00 0.00 179.97 180.83 2khe h VAL 34 N -0.10 0.86 0.07 2.04 2.07 -1.64 0.25 116.25 119.79 2khe h VAL 34 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2khe h VAL 34 Cb 0.10 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2khe h VAL 34 CO -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.53 2khe h ALA 35 N 1.93 -0.09 0.00 1.67 0.00 -1.14 -3.03 119.26 118.61 2khe h ALA 35 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2khe h ALA 35 Cb 0.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2khe h ALA 35 CO -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.80 2khe h THR 36 N -0.30 0.00 -3.34 0.00 1.03 -0.04 -3.43 112.91 106.83 2khe h THR 36 Ca -0.01 -0.99 -0.53 0.00 -0.01 0.00 0.00 66.41 64.87 2khe h THR 36 Cb 0.26 1.99 -0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2khe h THR 36 CO 0.02 0.00 0.49 -0.76 -0.01 0.00 0.00 175.52 175.25 2khe s LEU 37 N -6.20 4.40 0.07 0.00 1.43 0.83 -4.94 118.68 114.27 2khe s LEU 37 Ca 0.07 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.10 2khe s LEU 37 Cb 0.05 -3.58 -0.26 0.00 0.03 0.00 0.00 46.19 42.43 2khe s LEU 37 CO 0.67 -0.35 1.11 -0.08 0.23 0.00 0.00 176.35 177.92 2khe h GLU 38 N 6.38 0.19 -4.33 1.70 4.81 -1.87 -3.42 114.58 118.04 2khe h GLU 38 Ca -0.42 -0.32 -0.70 0.00 -0.13 0.00 0.00 59.36 57.79 2khe h GLU 38 Cb 1.21 0.12 -0.34 0.00 0.63 0.00 0.00 28.75 30.38 2khe h GLU 38 CO 0.77 1.12 -0.50 -0.51 -0.73 0.00 0.00 179.01 179.16 2khe s ASP 39 N -6.96 5.32 0.00 1.04 1.01 -1.26 -4.89 116.67 110.92 2khe s ASP 39 Ca -0.04 -2.14 0.10 0.00 0.71 0.00 0.00 52.55 51.19 2khe s ASP 39 Cb 0.08 -1.86 0.62 0.00 1.01 0.00 0.00 42.92 42.77 2khe s ASP 39 CO 0.86 -0.54 1.06 -0.81 0.21 0.00 0.00 175.17 175.95 2khe n PRO 40 N 4.48 0.49 -1.82 8.23 -0.04 -1.26 -3.24 135.00 141.84 2khe n PRO 40 Ca -0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 2khe n PRO 40 Cb 0.41 -1.33 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.83 3.01 0.00 0.54 1.74 -1.26 -4.46 116.66 115.40 2khe n ARG 41 Ca 0.08 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.43 2khe n ARG 41 Cb 0.04 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 2khe n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2khe n SER 42 N -0.70 1.92 0.02 0.55 7.64 -1.20 -4.89 113.62 116.96 2khe n SER 42 Ca 0.53 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.36 2khe n SER 42 Cb 0.60 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 2khe n SER 42 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2khe h LEU 43 N 0.00 -0.13 0.00 -3.43 3.38 -1.83 -3.47 115.31 109.83 2khe h LEU 43 Ca 0.00 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2khe h LEU 43 Cb 0.70 0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.52 2khe h LEU 43 CO 0.00 0.42 0.06 0.61 0.09 0.00 0.00 178.44 179.61 2khe n GLY 44 N 1.27 -1.69 3.01 0.83 0.00 -1.26 -4.76 105.19 102.59 2khe n GLY 44 Ca -0.04 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.50 0.40 -0.43 1.61 -1.05 0.85 -4.91 118.70 111.67 2khe s GLU 45 Ca 0.13 -0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 53.92 2khe s GLU 45 Cb -0.01 0.07 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 2khe s GLU 45 CO 0.10 -0.05 1.75 -1.25 0.95 0.00 0.00 175.26 176.76 2khe s PRO 46 N -1.96 3.17 -0.75 -4.83 0.04 -1.26 -0.07 135.00 129.33 2khe s PRO 46 Ca -0.11 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 2khe s PRO 46 Cb -0.06 -4.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.19 2khe s PRO 46 CO -0.02 -2.07 2.11 -1.17 0.04 0.00 0.00 177.00 175.89 2khe s LEU 47 N 7.28 3.16 -0.02 -3.56 0.20 0.95 -4.94 118.68 121.74 2khe s LEU 47 Ca 0.73 -0.01 -0.16 0.00 0.69 0.00 0.00 54.13 55.37 2khe s LEU 47 Cb -0.18 -2.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.98 2khe s LEU 47 CO 0.30 -2.96 0.45 -0.13 -0.29 0.00 0.00 176.35 173.72 2khe s ARG 48 N 7.66 4.09 -0.29 1.98 0.52 -1.26 -3.91 118.95 127.74 2khe s ARG 48 Ca 0.79 0.48 -0.28 0.00 -0.52 0.00 0.00 55.73 56.20 2khe s ARG 48 Cb -0.11 -3.28 0.19 0.00 0.52 0.00 0.00 34.95 32.27 2khe s ARG 48 CO 0.10 0.53 1.39 0.20 0.02 0.00 0.00 175.30 177.54 2khe s GLY 49 N -0.60 0.19 0.00 -3.53 0.00 -1.26 -4.98 107.32 97.13 2khe s GLY 49 Ca 0.25 3.09 0.14 0.00 0.00 0.00 0.00 44.72 48.21 2khe s GLY 49 CO 0.13 1.43 1.45 -1.55 0.00 0.00 0.00 173.10 174.56 2khe n PRO 50 N 0.93 0.04 -0.10 2.90 -0.04 -1.26 -2.90 135.00 134.56 2khe n PRO 50 Ca -0.04 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2khe n PRO 50 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 2khe n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2khe n GLU 51 N -1.46 0.74 -3.36 0.54 1.02 -1.26 -5.02 120.64 111.84 2khe n GLU 51 Ca 0.04 0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 57.06 2khe n GLU 51 Cb 0.16 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 2khe n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2khe s LEU 52 N -5.98 3.19 0.00 -4.62 1.02 -1.14 -5.14 118.68 106.00 2khe s LEU 52 Ca -0.23 -0.84 0.00 0.00 0.02 0.00 0.00 54.13 53.08 2khe s LEU 52 Cb 0.07 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.45 2khe s LEU 52 CO 0.56 -1.01 0.00 0.61 0.02 0.00 0.00 176.35 176.54 2khe n GLY 53 N -1.88 1.60 2.38 -3.19 0.00 -1.26 -4.33 105.19 98.50 2khe n GLY 53 Ca 0.07 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 2khe n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2khe n ARG 54 N 0.00 2.71 -0.80 1.61 3.00 -1.26 -4.37 116.66 117.55 2khe n ARG 54 Ca 0.00 -3.33 -0.28 0.00 -0.00 0.00 0.00 57.85 54.24 2khe n ARG 54 Cb 0.00 -2.29 0.22 0.00 0.00 0.00 0.00 32.46 30.39 2khe n ARG 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2khe s PHE 55 N -3.85 1.66 0.18 -0.14 0.08 -1.25 -4.70 117.98 109.95 2khe s PHE 55 Ca 0.64 1.11 0.05 0.00 0.12 0.00 0.00 56.93 58.85 2khe s PHE 55 Cb 0.50 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2khe s PHE 55 CO -0.04 -3.47 0.17 -0.46 -0.10 0.00 0.00 175.22 171.31 2khe s TRP 56 N -2.67 3.20 -0.20 0.36 -0.00 0.18 -0.04 118.94 119.77 2khe s TRP 56 Ca 0.67 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.10 56.73 2khe s TRP 56 Cb -0.22 -1.52 0.06 0.00 -0.00 0.00 0.00 33.47 31.79 2khe s TRP 56 CO 0.62 0.52 0.05 0.21 -0.00 0.00 0.00 176.95 178.34 2khe s LYS 57 N -3.25 0.59 0.33 5.86 2.20 0.89 -1.84 119.74 124.52 2khe s LYS 57 Ca 0.32 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2khe s LYS 57 Cb -0.10 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.13 2khe s LYS 57 CO 0.24 -0.67 0.52 0.71 -0.36 0.00 0.00 175.35 175.79 2khe s TYR 58 N 1.88 3.49 -0.08 4.03 2.02 0.11 -0.10 117.35 128.70 2khe s TYR 58 Ca 0.00 0.29 0.02 0.00 -0.37 0.00 0.00 57.07 57.01 2khe s TYR 58 Cb -0.17 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 2khe s TYR 58 CO -0.10 0.17 -0.14 -0.98 -1.57 0.00 0.00 175.55 172.94 2khe s ARG 59 N -4.26 1.96 -0.37 -0.62 1.70 -1.26 -1.82 118.95 114.29 2khe s ARG 59 Ca 0.39 -0.49 0.01 0.00 -0.47 0.00 0.00 55.73 55.16 2khe s ARG 59 Cb -0.09 -1.62 0.12 0.00 -0.57 0.00 0.00 34.95 32.78 2khe s ARG 59 CO 0.35 0.01 0.16 0.08 -1.08 0.00 0.00 175.30 174.82 2khe s VAL 60 N 0.75 1.05 0.00 4.99 1.01 0.11 -5.00 120.40 123.30 2khe s VAL 60 Ca -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 59.95 2khe s VAL 60 Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2khe s VAL 60 CO 0.03 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.95 2khe n GLY 61 N 4.25 0.24 1.74 4.51 0.00 -1.26 0.09 105.19 114.76 2khe n GLY 61 Ca 0.04 0.52 -0.01 0.00 0.00 0.00 0.00 46.02 46.56 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 1.36 1.98 -3.82 1.61 8.00 -1.26 -5.06 116.55 119.36 2khe n ASP 62 Ca 0.00 -2.73 -0.12 0.00 0.71 0.00 0.00 54.79 52.65 2khe n ASP 62 Cb 0.00 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 40.58 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 -2.34 -0.15 -0.12 1.24 1.51 0.11 -3.23 117.35 114.37 2khe s TYR 63 Ca 0.36 0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 56.75 2khe s TYR 63 Cb 0.37 0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 42.23 2khe s TYR 63 CO -0.08 -0.14 -0.01 1.03 -1.11 0.00 0.00 175.55 175.24 2khe s ARG 64 N -0.24 3.35 -0.34 -0.62 1.81 -0.22 0.04 118.95 122.72 2khe s ARG 64 Ca -0.03 -0.44 0.02 0.00 -1.72 0.00 0.00 55.73 53.56 2khe s ARG 64 Cb -0.03 -2.88 0.10 0.00 -0.45 0.00 0.00 34.95 31.69 2khe s ARG 64 CO 0.01 0.49 0.08 -0.51 -0.68 0.00 0.00 175.30 174.69 2khe s LEU 65 N -0.28 3.74 -0.50 2.53 1.43 -0.75 -2.11 118.68 122.73 2khe s LEU 65 Ca 0.06 -2.03 -0.27 0.00 -1.03 0.00 0.00 54.13 50.86 2khe s LEU 65 Cb -0.12 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.80 2khe s LEU 65 CO 0.02 -0.38 1.06 -0.63 0.23 0.00 0.00 176.35 176.65 2khe s ILE 66 N 1.09 4.28 0.41 -0.59 1.01 -0.24 -0.71 121.20 126.45 2khe s ILE 66 Ca 0.11 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.75 2khe s ILE 66 Cb -0.19 -4.57 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 2khe s ILE 66 CO -0.14 -1.02 0.19 0.00 0.00 0.00 0.00 174.94 173.97 2khe s HIS 68 N -2.58 3.50 -0.23 0.00 2.46 0.62 0.47 115.29 119.52 2khe s HIS 68 Ca 0.41 -2.61 -0.29 0.00 0.47 0.00 0.00 55.06 53.04 2khe s HIS 68 Cb 0.03 -2.42 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 2khe s HIS 68 CO 0.23 -0.91 1.17 0.42 -2.47 0.00 0.00 174.74 173.18 2khe s ILE 69 N 1.02 4.42 -0.68 0.89 1.01 -1.26 -2.16 121.20 124.45 2khe s ILE 69 Ca 0.00 1.69 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 2khe s ILE 69 Cb -0.20 -4.19 0.18 0.00 0.01 0.00 0.00 42.46 38.26 2khe s ILE 69 CO -0.06 -0.26 0.53 -1.10 0.00 0.00 0.00 174.94 174.05 2khe s GLN 70 N 3.53 2.85 0.34 2.79 -0.21 0.49 -4.92 119.66 124.53 2khe s GLN 70 Ca 0.50 -2.49 0.05 0.00 0.02 0.00 0.00 55.36 53.45 2khe s GLN 70 Cb -0.17 -3.93 0.70 0.00 1.00 0.00 0.00 33.01 30.60 2khe s GLN 70 CO 0.13 -1.21 1.90 0.22 -2.12 0.00 0.00 175.29 174.22 2khe h ASP 71 N 7.29 0.75 -1.03 5.90 1.82 -1.94 1.11 116.42 130.32 2khe h ASP 71 Ca 0.01 0.02 0.34 0.00 -0.39 0.00 0.00 57.03 57.01 2khe h ASP 71 Cb 0.98 -0.13 -0.15 0.00 0.68 0.00 0.00 39.33 40.71 2khe h ASP 71 CO 0.73 0.44 0.60 0.08 -1.61 0.00 0.00 179.24 179.47 2khe h ARG 72 N 0.83 0.27 0.00 0.28 0.11 -1.96 -1.13 114.38 112.78 2khe h ARG 72 Ca 0.40 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2khe h ARG 72 Cb 0.44 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2khe h ARG 72 CO -0.17 0.18 -0.11 0.39 0.10 0.00 0.00 179.97 180.36 2khe n GLU 73 N -5.02 1.22 -4.22 0.08 -0.58 -0.62 -5.00 120.64 106.50 2khe n GLU 73 Ca 0.33 -1.49 -0.33 0.00 -0.42 0.00 0.00 57.16 55.24 2khe n GLU 73 Cb 1.04 -0.93 -0.05 0.00 -0.57 0.00 0.00 31.44 30.94 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 -0.55 -1.61 -2.37 0.62 0.00 0.37 -4.78 120.51 112.20 2khe n ALA 74 Ca 0.05 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 2khe n ALA 74 Cb 0.51 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.56 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 -3.69 1.96 -0.26 0.00 2.01 -0.66 -2.66 115.64 112.34 2khe s THR 75 Ca 0.41 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 2khe s THR 75 Cb -0.23 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.66 2khe s THR 75 CO 0.95 0.56 0.02 -0.69 -0.69 0.00 0.00 174.62 174.76 2khe s VAL 76 N -0.55 3.58 -0.23 3.82 1.01 -0.24 -0.38 120.40 127.41 2khe s VAL 76 Ca 0.09 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2khe s VAL 76 Cb -0.10 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2khe s VAL 76 CO -0.01 0.20 -0.05 -0.22 0.00 0.00 0.00 175.10 175.02 2khe s LEU 77 N 1.46 2.96 0.26 3.92 2.96 -0.92 -1.35 118.68 127.96 2khe s LEU 77 Ca 0.03 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 2khe s LEU 77 Cb -0.16 -1.71 -0.11 0.00 0.50 0.00 0.00 46.19 44.71 2khe s LEU 77 CO -0.00 -0.05 1.57 -0.69 -1.32 0.00 0.00 176.35 175.85 2khe s VAL 78 N 1.43 2.27 -0.16 1.68 1.01 -0.55 -0.28 120.40 125.80 2khe s VAL 78 Ca 0.04 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 2khe s VAL 78 Cb -0.15 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2khe s VAL 78 CO -0.04 0.03 -0.25 0.18 0.00 0.00 0.00 175.10 175.02 2khe n LEU 79 N 2.67 1.48 -4.21 3.92 4.77 0.65 -1.77 117.00 124.50 2khe n LEU 79 Ca 0.10 0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 56.14 2khe n LEU 79 Cb 0.38 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.77 2khe n LEU 79 CO 0.63 0.10 -0.45 -0.60 -1.33 0.00 0.00 177.39 175.73 2khe s ARG 80 N -2.46 0.93 -0.18 3.23 6.06 -0.35 -4.03 118.95 122.15 2khe s ARG 80 Ca -0.24 -1.12 -0.04 0.00 -2.50 0.00 0.00 55.73 51.83 2khe s ARG 80 Cb 0.08 -0.86 0.09 0.00 0.06 0.00 0.00 34.95 34.31 2khe s ARG 80 CO 0.32 0.18 0.29 0.54 -2.50 0.00 0.00 175.30 174.13 2khe s VAL 81 N -1.78 -0.45 0.08 7.11 0.11 -1.26 -1.07 120.40 123.14 2khe s VAL 81 Ca 0.04 0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.92 2khe s VAL 81 Cb -0.07 -0.61 0.07 0.00 -1.53 0.00 0.00 36.38 34.24 2khe s VAL 81 CO 0.02 -0.03 0.63 -0.83 -3.33 0.00 0.00 175.10 171.57 2khe s GLY 82 N 2.44 -0.61 0.32 6.54 0.00 -0.90 -4.74 107.32 110.38 2khe s GLY 82 Ca 0.05 0.79 -0.29 0.00 0.00 0.00 0.00 44.72 45.27 2khe s GLY 82 CO -0.11 0.45 1.45 -1.58 0.00 0.00 0.00 173.10 173.31 2khe s HIS 83 N -2.83 2.82 0.27 1.90 5.65 -1.26 -1.05 115.29 120.78 2khe s HIS 83 Ca -0.03 1.12 0.02 0.00 0.25 0.00 0.00 55.06 56.42 2khe s HIS 83 Cb -0.01 -3.91 0.66 0.00 -1.18 0.00 0.00 32.58 28.15 2khe s HIS 83 CO -0.05 -2.76 1.33 0.00 -0.65 0.00 0.00 174.74 172.61 2khe n ALA 84 N 1.26 0.44 -0.24 1.58 0.00 -1.20 -0.77 120.51 121.59 2khe n ALA 84 Ca 0.03 0.91 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 2khe n ALA 84 Cb 0.40 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 2khe n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2khe n ARG 85 N -5.22 -0.25 0.14 0.00 5.12 -1.26 -1.37 116.66 113.82 2khe n ARG 85 Ca 0.20 1.28 -0.13 0.00 -1.93 0.00 0.00 57.85 57.27 2khe n ARG 85 Cb 0.67 -1.90 -0.06 0.00 -1.16 0.00 0.00 32.46 30.00 2khe n ARG 85 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2khe h ASP 86 N 0.00 -0.60 -3.26 0.55 5.19 -1.31 -3.44 116.42 113.56 2khe h ASP 86 Ca 0.09 0.06 -0.55 0.00 -0.62 0.00 0.00 57.03 56.01 2khe h ASP 86 Cb 0.23 0.21 0.19 0.00 0.18 0.00 0.00 39.33 40.15 2khe h ASP 86 CO -0.53 -0.32 -0.44 0.52 -3.12 0.00 0.00 179.24 175.34 2khe n VAL 87 N -5.35 1.36 1.92 -1.35 0.31 -0.47 -4.83 118.33 109.92 2khe n VAL 87 Ca -0.08 -0.35 0.02 0.00 -0.01 0.00 0.00 64.34 63.92 2khe n VAL 87 Cb 0.26 -0.71 0.09 0.00 -0.91 0.00 0.00 33.84 32.57 2khe n VAL 87 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2khe n TYR 88 N -2.67 0.00 -1.60 3.52 4.02 -1.26 -4.90 117.16 114.27 2khe n TYR 88 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2khe n TYR 88 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2khe n TYR 88 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74