#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx8 s VAL 7 N 0.00 2.51 0.00 5.15 -7.23 -1.26 -2.54 120.40 117.03 3kx8 s VAL 7 Ca 0.00 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 3kx8 s VAL 7 Cb 0.00 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.65 3kx8 s VAL 7 CO 0.00 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 3kx8 n GLY 8 N 1.83 3.00 3.73 2.32 0.00 0.70 -5.01 105.19 111.75 3kx8 n GLY 8 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kx8 n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kx8 s GLU 9 N -0.61 4.53 0.10 1.61 -1.05 -1.05 -4.75 118.70 117.47 3kx8 s GLU 9 Ca 0.00 1.72 0.04 0.00 -0.15 0.00 0.00 54.97 56.58 3kx8 s GLU 9 Cb 0.00 -3.31 -0.04 0.00 -0.44 0.00 0.00 34.13 30.34 3kx8 s GLU 9 CO 0.00 -0.06 0.08 1.03 0.95 0.00 0.00 175.26 177.25 3kx8 s ARG 10 N 0.25 2.83 0.01 -4.83 0.52 -1.26 -2.58 118.95 113.91 3kx8 s ARG 10 Ca 0.53 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 3kx8 s ARG 10 Cb -0.29 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 3kx8 s ARG 10 CO 0.32 0.55 -0.11 0.12 0.02 0.00 0.00 175.30 176.20 3kx8 s PHE 11 N -1.44 0.99 -0.03 -0.53 2.19 0.00 -4.99 117.98 114.17 3kx8 s PHE 11 Ca 0.29 -0.27 0.05 0.00 0.33 0.00 0.00 56.93 57.34 3kx8 s PHE 11 Cb -0.12 -0.62 -0.01 0.00 -1.31 0.00 0.00 43.02 40.97 3kx8 s PHE 11 CO 0.22 -0.00 -0.19 0.99 1.83 0.00 0.00 175.22 178.07 3kx8 s THR 12 N -0.56 1.51 0.04 0.12 2.01 -1.26 -0.30 115.64 117.20 3kx8 s THR 12 Ca 0.02 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 3kx8 s THR 12 Cb -0.06 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 3kx8 s THR 12 CO 0.00 0.43 -0.03 -1.38 -0.69 0.00 0.00 174.62 172.95 3kx8 s HIS 13 N -0.19 0.46 0.08 4.92 -3.43 -0.17 -4.99 115.29 111.98 3kx8 s HIS 13 Ca 0.01 -0.90 0.06 0.00 -0.80 0.00 0.00 55.06 53.43 3kx8 s HIS 13 Cb -0.10 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.68 3kx8 s HIS 13 CO 0.01 -0.31 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.87 3kx8 s ASP 14 N -2.47 4.66 -0.24 7.38 1.01 -1.26 -0.54 116.67 125.20 3kx8 s ASP 14 Ca 0.00 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 52.95 3kx8 s ASP 14 Cb 0.02 -1.00 0.13 0.00 1.01 0.00 0.00 42.92 43.08 3kx8 s ASP 14 CO -0.07 0.19 0.41 0.12 0.21 0.00 0.00 175.17 176.03 3kx8 s PHE 15 N -1.22 -0.89 -0.05 4.23 5.36 -0.00 -4.97 117.98 120.45 3kx8 s PHE 15 Ca 0.22 1.08 -0.30 0.00 -0.96 0.00 0.00 56.93 56.97 3kx8 s PHE 15 Cb -0.11 0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.66 3kx8 s PHE 15 CO 0.14 -0.68 1.37 0.08 -1.46 0.00 0.00 175.22 174.68 3kx8 s VAL 16 N 2.59 3.90 -0.23 3.12 1.01 -1.26 0.04 120.40 129.56 3kx8 s VAL 16 Ca 0.10 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 3kx8 s VAL 16 Cb -0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3kx8 s VAL 16 CO -0.16 -0.04 1.47 -0.69 0.00 0.00 0.00 175.10 175.69 3kx8 s VAL 17 N 2.81 3.90 0.56 2.92 1.01 -0.29 -4.91 120.40 126.41 3kx8 s VAL 17 Ca 0.62 1.03 -0.06 0.00 0.00 0.00 0.00 61.98 63.57 3kx8 s VAL 17 Cb -0.29 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 3kx8 s VAL 17 CO 0.24 -0.32 0.87 -2.16 0.00 0.00 0.00 175.10 173.73 3kx8 s PRO 18 N 4.34 3.10 0.57 2.72 0.04 -1.26 -0.01 135.00 144.50 3kx8 s PRO 18 Ca 0.65 0.06 0.28 0.00 0.04 0.00 0.00 61.00 62.03 3kx8 s PRO 18 Cb -0.22 -2.30 1.51 0.00 0.04 0.00 0.00 34.50 33.53 3kx8 s PRO 18 CO 0.26 -0.56 2.00 -1.35 0.04 0.00 0.00 177.00 177.38 3kx8 h PRO 19 N -0.07 0.00 -0.62 0.56 0.11 -1.95 -2.37 132.00 127.67 3kx8 h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kx8 h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kx8 h PRO 19 CO 0.61 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.01 3kx8 n HIS 20 N -3.96 0.72 -1.22 0.65 1.44 -1.26 -3.68 115.22 107.91 3kx8 n HIS 20 Ca 0.07 -0.28 0.02 0.00 -2.01 0.00 0.00 57.72 55.52 3kx8 n HIS 20 Cb 0.53 -0.17 0.22 0.00 0.12 0.00 0.00 29.99 30.70 3kx8 n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kx8 n LYS 21 N 0.35 2.30 -2.74 -1.40 4.76 -0.89 -4.79 118.16 115.74 3kx8 n LYS 21 Ca 0.12 -2.99 -0.22 0.00 -2.87 0.00 0.00 58.31 52.35 3kx8 n LYS 21 Cb 0.50 -1.82 0.03 0.00 -1.84 0.00 0.00 35.03 31.90 3kx8 n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kx8 s THR 22 N -3.04 3.09 0.27 -0.18 -4.23 -1.24 -2.38 115.64 107.92 3kx8 s THR 22 Ca 0.43 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 3kx8 s THR 22 Cb 0.37 -3.15 0.34 0.00 1.34 0.00 0.00 72.50 71.39 3kx8 s THR 22 CO 0.04 -0.11 1.61 0.58 -0.54 0.00 0.00 174.62 176.20 3kx8 h VAL 23 N 0.17 0.21 0.00 2.29 2.07 -1.71 -0.74 116.25 118.54 3kx8 h VAL 23 Ca -0.43 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3kx8 h VAL 23 Cb 1.28 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kx8 h VAL 23 CO 0.54 0.01 0.00 0.08 0.02 0.00 0.00 177.57 178.22 3kx8 h ARG 24 N 0.06 0.00 0.00 1.57 0.11 -1.88 -2.42 114.38 111.82 3kx8 h ARG 24 Ca 0.47 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.51 3kx8 h ARG 24 Cb 0.85 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 3kx8 h ARG 24 CO -0.78 0.00 -0.77 0.45 0.10 0.00 0.00 179.97 178.97 3kx8 h HIS 25 N 0.00 0.00 -0.15 4.08 3.86 -1.44 -2.34 115.15 119.16 3kx8 h HIS 25 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3kx8 h HIS 25 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3kx8 h HIS 25 CO 0.00 0.14 0.01 1.25 0.86 0.00 0.00 177.93 180.19 3kx8 h LEU 26 N 0.00 0.25 -6.90 2.43 5.85 -1.26 -3.37 115.31 112.31 3kx8 h LEU 26 Ca -0.03 -0.28 -0.61 0.00 0.84 0.00 0.00 57.88 57.81 3kx8 h LEU 26 Cb 1.13 -0.07 -0.40 0.00 0.37 0.00 0.00 40.66 41.69 3kx8 h LEU 26 CO 0.01 0.47 -0.75 -0.31 -0.34 0.00 0.00 178.44 177.52 3kx8 s TYR 27 N -5.09 2.11 0.46 1.25 1.51 -1.22 -4.94 117.35 111.42 3kx8 s TYR 27 Ca -0.14 -2.57 0.39 0.00 -1.01 0.00 0.00 57.07 53.74 3kx8 s TYR 27 Cb 0.06 -1.87 1.98 0.00 -0.11 0.00 0.00 41.96 42.02 3kx8 s TYR 27 CO 0.71 -0.75 2.22 -1.00 -1.11 0.00 0.00 175.55 175.62 3kx8 h PRO 28 N 6.31 0.00 0.00 -1.71 0.13 -1.60 -1.93 132.00 133.21 3kx8 h PRO 28 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3kx8 h PRO 28 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3kx8 h PRO 28 CO 0.50 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.44 3kx8 n GLU 29 N -3.17 0.87 -3.30 0.86 0.00 -1.26 -4.73 120.64 109.91 3kx8 n GLU 29 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.71 3kx8 n GLU 29 Cb 0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.02 3kx8 n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kx8 s SER 30 N -2.09 6.19 0.32 -1.84 0.15 -0.73 -4.93 113.70 110.77 3kx8 s SER 30 Ca 0.43 -0.88 0.06 0.00 0.70 0.00 0.00 55.95 56.26 3kx8 s SER 30 Cb 0.21 -2.23 0.56 0.00 -1.71 0.00 0.00 66.02 62.85 3kx8 s SER 30 CO 0.37 -0.66 1.80 -0.65 1.20 0.00 0.00 173.24 175.30 3kx8 h PRO 31 N 8.79 0.35 0.00 5.44 0.11 -1.87 -2.77 132.00 142.06 3kx8 h PRO 31 Ca -0.27 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3kx8 h PRO 31 Cb 1.11 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kx8 h PRO 31 CO 0.85 0.56 -0.07 0.93 -0.21 0.00 0.00 178.00 180.06 3kx8 h GLU 32 N 0.32 0.00 0.00 1.05 3.07 -1.96 -2.88 114.58 114.18 3kx8 h GLU 32 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3kx8 h GLU 32 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3kx8 h GLU 32 CO 0.04 0.07 -1.37 1.19 -1.40 0.00 0.00 179.01 177.53 3kx8 n PHE 33 N -3.43 0.05 0.30 4.33 0.99 -1.06 -4.61 117.46 114.03 3kx8 n PHE 33 Ca -0.02 0.02 0.18 0.00 -0.00 0.00 0.00 57.45 57.63 3kx8 n PHE 33 Cb 0.21 -0.27 0.85 0.00 -1.00 0.00 0.00 39.48 39.27 3kx8 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kx8 h ALA 34 N 2.54 1.00 -0.06 4.37 0.00 -1.31 -2.40 119.26 123.39 3kx8 h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kx8 h ALA 34 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kx8 h ALA 34 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 3kx8 n GLU 35 N -2.90 1.19 -1.40 0.00 0.00 -1.26 -4.96 120.64 111.31 3kx8 n GLU 35 Ca -0.01 -1.45 -0.36 0.00 0.00 0.00 0.00 57.16 55.35 3kx8 n GLU 35 Cb 0.19 -1.28 0.08 0.00 0.00 0.00 0.00 31.44 30.43 3kx8 n GLU 35 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3kx8 n PHE 36 N 0.81 0.87 -1.58 -1.84 3.01 -0.90 -4.95 117.46 112.88 3kx8 n PHE 36 Ca 0.09 0.40 -0.45 0.00 1.01 0.00 0.00 57.45 58.50 3kx8 n PHE 36 Cb 0.37 -2.11 -0.02 0.00 -0.01 0.00 0.00 39.48 37.72 3kx8 n PHE 36 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kx8 n PRO 37 N -1.90 1.27 -2.27 -1.08 -0.02 -1.26 -4.84 135.00 124.89 3kx8 n PRO 37 Ca 0.13 0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 3kx8 n PRO 37 Cb 0.49 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 3kx8 n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kx8 n GLU 38 N 0.73 2.70 -4.23 -0.52 -0.58 -1.26 -4.59 120.64 112.89 3kx8 n GLU 38 Ca 0.10 -2.93 -0.20 0.00 -0.42 0.00 0.00 57.16 53.71 3kx8 n GLU 38 Cb 0.32 -3.49 -0.12 0.00 -0.57 0.00 0.00 31.44 27.58 3kx8 n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kx8 s VAL 39 N 5.66 1.37 -0.22 2.62 -7.23 -1.26 -4.44 120.40 116.90 3kx8 s VAL 39 Ca 0.56 -1.54 -0.37 0.00 -1.81 0.00 0.00 61.98 58.82 3kx8 s VAL 39 Cb 0.05 -1.39 -0.13 0.00 0.56 0.00 0.00 36.38 35.47 3kx8 s VAL 39 CO 0.07 -0.26 1.90 0.33 -0.31 0.00 0.00 175.10 176.83 3kx8 n PHE 40 N 0.91 2.08 -2.42 2.82 7.35 0.81 -2.31 117.46 126.69 3kx8 n PHE 40 Ca -0.18 0.26 -0.36 0.00 -0.76 0.00 0.00 57.45 56.40 3kx8 n PHE 40 Cb 0.55 -2.56 -0.02 0.00 0.35 0.00 0.00 39.48 37.80 3kx8 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kx8 s ALA 41 N 4.62 2.98 0.21 3.13 0.00 -1.00 -4.75 121.76 126.95 3kx8 s ALA 41 Ca 0.99 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 53.63 3kx8 s ALA 41 Cb -0.87 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 19.14 3kx8 s ALA 41 CO 0.57 -0.43 1.86 1.15 0.00 0.00 0.00 175.76 178.90 3kx8 h THR 42 N 1.90 1.12 -0.85 0.00 2.02 -1.93 -1.57 112.91 113.59 3kx8 h THR 42 Ca -0.49 -0.32 0.09 0.00 0.77 0.00 0.00 66.41 66.46 3kx8 h THR 42 Cb 1.23 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3kx8 h THR 42 CO 0.61 0.17 0.55 1.23 0.37 0.00 0.00 175.52 178.45 3kx8 h GLY 43 N 0.94 1.18 -2.06 2.16 0.00 -1.99 0.21 103.07 103.51 3kx8 h GLY 43 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3kx8 h GLY 43 CO -0.10 0.21 0.00 0.69 0.00 0.00 0.00 176.54 177.34 3kx8 n PHE 44 N -4.51 0.00 0.00 5.60 3.72 -0.59 -1.96 117.46 119.71 3kx8 n PHE 44 Ca 0.14 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 3kx8 n PHE 44 Cb 0.29 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3kx8 n PHE 44 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3kx8 n VAL 46 N 0.67 0.00 0.01 -4.37 0.31 0.73 -1.26 118.33 114.42 3kx8 n VAL 46 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3kx8 n VAL 46 Cb 0.38 0.00 0.38 0.00 -0.91 0.00 0.00 33.84 33.69 3kx8 n VAL 46 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kx8 h GLY 47 N 0.00 0.56 -1.63 2.92 0.00 -1.64 -1.03 103.07 102.24 3kx8 h GLY 47 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kx8 h GLY 47 CO 0.00 0.24 0.00 -0.10 0.00 0.00 0.00 176.54 176.68 3kx8 n LEU 48 N -4.41 1.17 0.00 3.11 0.00 -0.38 -1.82 117.00 114.66 3kx8 n LEU 48 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 56.01 55.45 3kx8 n LEU 48 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 43.42 43.29 3kx8 n LEU 48 CO 0.36 0.21 0.00 -0.62 0.00 0.00 0.00 177.39 177.34 3kx8 n GLU 50 N 0.56 0.00 -0.35 1.96 1.02 -0.39 -2.28 120.64 121.15 3kx8 n GLU 50 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3kx8 n GLU 50 Cb 0.21 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 31.82 3kx8 n GLU 50 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3kx8 h TRP 51 N 0.00 1.13 -0.67 -0.32 7.01 -1.62 0.21 115.95 121.70 3kx8 h TRP 51 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3kx8 h TRP 51 Cb 0.00 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 26.66 3kx8 h TRP 51 CO 0.00 0.54 0.34 0.00 -2.79 0.00 0.00 178.44 176.53 3kx8 h ALA 52 N 1.47 0.86 -0.56 2.65 0.00 -1.74 -0.75 119.26 121.19 3kx8 h ALA 52 Ca 0.44 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3kx8 h ALA 52 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kx8 h ALA 52 CO -0.20 0.40 0.02 0.00 0.00 0.00 0.00 179.25 179.47 3kx8 h VAL 54 N 0.87 1.23 -0.43 0.00 2.07 -0.44 -2.92 116.25 116.63 3kx8 h VAL 54 Ca 0.16 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 3kx8 h VAL 54 Cb 0.51 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3kx8 h VAL 54 CO 0.02 0.29 -0.09 0.03 0.02 0.00 0.00 177.57 177.84 3kx8 h ARG 55 N 0.85 0.75 -0.98 1.57 3.08 -1.01 -2.83 114.38 115.81 3kx8 h ARG 55 Ca 0.20 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kx8 h ARG 55 Cb 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kx8 h ARG 55 CO -0.01 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 3kx8 n ALA 56 N -2.48 1.63 0.00 0.04 0.00 -0.56 -4.58 120.51 114.56 3kx8 n ALA 56 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kx8 n ALA 56 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3kx8 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kx8 n ALA 58 N 0.59 0.00 0.24 0.00 0.00 -1.07 -4.78 120.51 115.50 3kx8 n ALA 58 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3kx8 n ALA 58 Cb 0.11 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.87 3kx8 n ALA 58 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kx8 n PRO 59 N 0.00 0.07 -0.09 0.00 -0.02 -1.26 -2.70 135.00 130.99 3kx8 n PRO 59 Ca 0.00 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3kx8 n PRO 59 Cb 0.00 -1.67 0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3kx8 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3kx8 n TYR 60 N -1.81 0.23 -3.33 6.00 4.01 -1.26 -4.96 117.16 116.05 3kx8 n TYR 60 Ca 0.01 -0.16 -0.38 0.00 -0.16 0.00 0.00 57.90 57.21 3kx8 n TYR 60 Cb 0.10 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 3kx8 n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kx8 s LEU 61 N -1.31 4.36 0.52 7.72 1.02 -1.10 -5.07 118.68 124.83 3kx8 s LEU 61 Ca 0.26 0.95 -0.21 0.00 0.02 0.00 0.00 54.13 55.15 3kx8 s LEU 61 Cb 0.16 -2.73 -0.06 0.00 0.02 0.00 0.00 46.19 43.57 3kx8 s LEU 61 CO 0.23 0.11 1.16 -1.61 0.02 0.00 0.00 176.35 176.25 3kx8 s GLU 62 N -0.01 3.44 0.31 1.70 0.41 -1.26 -4.93 118.70 118.36 3kx8 s GLU 62 Ca 0.27 1.70 -0.28 0.00 -0.41 0.00 0.00 54.97 56.25 3kx8 s GLU 62 Cb -0.16 -2.13 -0.13 0.00 -1.78 0.00 0.00 34.13 29.92 3kx8 s GLU 62 CO 0.13 -0.80 1.12 -2.30 -0.49 0.00 0.00 175.26 172.92 3kx8 n PRO 63 N -1.06 1.65 -1.06 0.39 -0.02 -1.26 -1.01 135.00 132.63 3kx8 n PRO 63 Ca 0.10 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 3kx8 n PRO 63 Cb 0.50 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3kx8 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx8 n GLY 64 N 1.04 0.54 3.56 -1.23 0.00 -1.26 -5.03 105.19 102.80 3kx8 n GLY 64 Ca 0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3kx8 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kx8 s GLU 65 N -1.28 2.04 0.11 1.61 2.02 -0.18 -2.33 118.70 120.68 3kx8 s GLU 65 Ca 0.00 -1.09 -0.00 0.00 0.02 0.00 0.00 54.97 53.90 3kx8 s GLU 65 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3kx8 s GLU 65 CO 0.00 0.49 0.15 0.41 0.02 0.00 0.00 175.26 176.33 3kx8 n GLY 66 N 0.64 2.91 3.12 -1.39 0.00 0.58 -4.84 105.19 106.21 3kx8 n GLY 66 Ca -0.14 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 3kx8 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx8 s SER 67 N -1.67 0.41 -0.01 1.61 1.04 -1.26 0.24 113.70 114.06 3kx8 s SER 67 Ca 0.09 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 55.46 3kx8 s SER 67 Cb -0.00 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3kx8 s SER 67 CO 0.07 -0.65 -0.07 -0.76 0.98 0.00 0.00 173.24 172.80 3kx8 s LEU 68 N -2.97 2.00 0.15 2.42 1.43 -0.46 -4.90 118.68 116.35 3kx8 s LEU 68 Ca 0.14 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 3kx8 s LEU 68 Cb 0.08 -0.37 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 3kx8 s LEU 68 CO -0.05 0.09 1.23 -0.83 0.23 0.00 0.00 176.35 177.01 3kx8 s GLY 69 N -0.15 2.51 -0.00 -3.19 0.00 -1.26 -0.31 107.32 104.91 3kx8 s GLY 69 Ca 0.03 0.96 0.01 0.00 0.00 0.00 0.00 44.72 45.71 3kx8 s GLY 69 CO -0.00 1.98 0.03 -1.30 0.00 0.00 0.00 173.10 173.81 3kx8 n THR 70 N 3.04 0.00 -3.56 0.90 -2.24 -0.05 -4.93 114.28 107.43 3kx8 n THR 70 Ca 0.06 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 3kx8 n THR 70 Cb 0.45 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3kx8 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx8 s ALA 71 N -1.26 -1.80 -0.04 6.98 0.00 -1.22 -4.96 121.76 119.46 3kx8 s ALA 71 Ca 0.00 1.57 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 3kx8 s ALA 71 Cb 0.01 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3kx8 s ALA 71 CO 0.03 -0.35 0.08 -1.50 0.00 0.00 0.00 175.76 174.02 3kx8 s ILE 72 N -0.67 -0.11 -0.32 0.00 1.10 -1.26 -1.74 121.20 118.19 3kx8 s ILE 72 Ca -0.06 0.33 -0.02 0.00 -0.51 0.00 0.00 60.65 60.39 3kx8 s ILE 72 Cb -0.02 -0.16 0.12 0.00 0.15 0.00 0.00 42.46 42.55 3kx8 s ILE 72 CO 0.06 0.14 0.16 0.00 -2.11 0.00 0.00 174.94 173.18 3kx8 s VAL 74 N 1.60 0.88 0.31 0.00 -7.23 -1.26 -0.55 120.40 114.13 3kx8 s VAL 74 Ca 0.13 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 3kx8 s VAL 74 Cb -0.19 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 3kx8 s VAL 74 CO -0.20 -0.34 0.52 0.42 -0.31 0.00 0.00 175.10 175.19 3kx8 s THR 75 N -1.51 5.10 -0.31 5.32 -4.23 -0.69 -4.97 115.64 114.36 3kx8 s THR 75 Ca -0.04 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 3kx8 s THR 75 Cb -0.09 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.05 3kx8 s THR 75 CO 0.01 -0.43 0.11 -2.28 -0.54 0.00 0.00 174.62 171.50 3kx8 s HIS 76 N -2.18 1.33 -1.42 3.99 2.46 -1.26 -3.31 115.29 114.91 3kx8 s HIS 76 Ca 0.41 -1.52 0.15 0.00 0.47 0.00 0.00 55.06 54.57 3kx8 s HIS 76 Cb -0.10 -1.49 0.00 0.00 -0.13 0.00 0.00 32.58 30.86 3kx8 s HIS 76 CO 0.33 -0.86 0.83 0.25 -2.47 0.00 0.00 174.74 172.82 3kx8 n THR 77 N 4.91 0.00 -3.49 0.89 -2.24 0.47 -4.97 114.28 109.85 3kx8 n THR 77 Ca -0.03 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.26 3kx8 n THR 77 Cb 0.42 1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 3kx8 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kx8 s ALA 78 N -1.79 -1.74 0.03 6.98 0.00 -1.25 -4.96 121.76 119.04 3kx8 s ALA 78 Ca 0.13 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3kx8 s ALA 78 Cb 0.12 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3kx8 s ALA 78 CO 0.37 -0.52 0.12 0.00 0.00 0.00 0.00 175.76 175.74 3kx8 s ALA 79 N -2.15 3.72 -0.20 0.00 0.00 -1.26 -4.79 121.76 117.09 3kx8 s ALA 79 Ca -0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3kx8 s ALA 79 Cb -0.00 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.53 3kx8 s ALA 79 CO 0.00 0.74 -0.03 0.99 0.00 0.00 0.00 175.76 177.46 3kx8 s THR 80 N -1.32 1.12 0.68 0.00 2.01 -1.26 -5.01 115.64 111.85 3kx8 s THR 80 Ca 0.27 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 3kx8 s THR 80 Cb -0.12 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 70.98 3kx8 s THR 80 CO 0.19 -0.03 1.06 -2.16 -0.69 0.00 0.00 174.62 173.00 3kx8 s PRO 81 N 1.60 2.96 0.39 4.92 0.04 -1.26 -0.14 135.00 143.52 3kx8 s PRO 81 Ca -0.02 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 3kx8 s PRO 81 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 3kx8 s PRO 81 CO -0.07 -1.09 1.12 -2.30 0.04 0.00 0.00 177.00 174.70 3kx8 n PRO 82 N -2.86 1.62 0.00 0.56 -0.02 -1.26 -3.32 135.00 129.72 3kx8 n PRO 82 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3kx8 n PRO 82 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3kx8 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx8 n GLY 83 N 1.03 2.98 3.85 -1.23 0.00 0.98 -4.98 105.19 107.82 3kx8 n GLY 83 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3kx8 n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx8 s LEU 84 N 0.00 3.77 -0.25 0.99 1.02 -1.21 -4.81 118.68 118.19 3kx8 s LEU 84 Ca 0.00 1.43 -0.13 0.00 0.02 0.00 0.00 54.13 55.45 3kx8 s LEU 84 Cb 0.00 -4.33 -0.05 0.00 0.02 0.00 0.00 46.19 41.84 3kx8 s LEU 84 CO 0.00 -0.46 0.26 -0.89 0.02 0.00 0.00 176.35 175.28 3kx8 s THR 85 N -2.42 5.27 -0.24 5.49 2.01 -1.26 -1.13 115.64 123.36 3kx8 s THR 85 Ca 0.57 0.35 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 3kx8 s THR 85 Cb -0.10 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3kx8 s THR 85 CO 0.27 0.25 0.53 -0.69 -0.69 0.00 0.00 174.62 174.30 3kx8 s VAL 86 N 1.57 5.07 -0.26 3.82 1.01 0.11 -3.72 120.40 127.99 3kx8 s VAL 86 Ca 0.11 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 3kx8 s VAL 86 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3kx8 s VAL 86 CO 0.08 0.10 0.12 -0.89 0.00 0.00 0.00 175.10 174.52 3kx8 s THR 87 N 2.13 4.76 -0.18 3.92 2.01 0.28 -0.82 115.64 127.73 3kx8 s THR 87 Ca 0.23 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.14 3kx8 s THR 87 Cb -0.16 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3kx8 s THR 87 CO 0.09 0.31 0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 3kx8 s VAL 88 N 1.60 4.75 -0.19 3.82 1.01 0.29 -1.77 120.40 129.91 3kx8 s VAL 88 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 3kx8 s VAL 88 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3kx8 s VAL 88 CO 0.06 0.46 0.00 -0.89 0.00 0.00 0.00 175.10 174.74 3kx8 s THR 89 N 0.41 4.06 -0.20 3.92 2.01 -0.07 -0.99 115.64 124.78 3kx8 s THR 89 Ca 0.03 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 3kx8 s THR 89 Cb -0.13 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.55 3kx8 s THR 89 CO 0.00 0.44 -0.07 0.00 -0.69 0.00 0.00 174.62 174.30 3kx8 s ALA 90 N 0.84 2.73 -0.16 7.40 0.00 0.59 -1.50 121.76 131.66 3kx8 s ALA 90 Ca 0.01 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3kx8 s ALA 90 Cb -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.41 3kx8 s ALA 90 CO 0.02 -0.35 -0.20 -2.00 0.00 0.00 0.00 175.76 173.24 3kx8 s GLU 91 N 1.33 3.05 -0.10 0.00 2.12 0.54 -0.82 118.70 124.82 3kx8 s GLU 91 Ca 0.04 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 3kx8 s GLU 91 Cb -0.14 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 3kx8 s GLU 91 CO -0.04 -0.08 1.46 -1.17 -0.54 0.00 0.00 175.26 174.89 3kx8 s LEU 92 N 1.00 4.26 -0.22 2.70 2.96 -1.06 -0.21 118.68 128.11 3kx8 s LEU 92 Ca -0.02 1.98 0.13 0.00 -0.22 0.00 0.00 54.13 56.00 3kx8 s LEU 92 Cb -0.15 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 3kx8 s LEU 92 CO -0.05 -0.84 -0.02 0.54 -1.32 0.00 0.00 176.35 174.66 3kx8 n ARG 93 N 6.76 0.68 -3.63 1.98 5.12 0.87 -0.22 116.66 128.21 3kx8 n ARG 93 Ca 0.15 0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.99 3kx8 n ARG 93 Cb 0.44 -1.52 -0.07 0.00 -1.16 0.00 0.00 32.46 30.14 3kx8 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kx8 s SER 94 N -5.85 -0.77 -0.13 0.55 1.04 -1.07 -4.85 113.70 102.61 3kx8 s SER 94 Ca -0.18 1.46 -0.00 0.00 0.48 0.00 0.00 55.95 57.70 3kx8 s SER 94 Cb 0.07 1.46 -0.02 0.00 0.10 0.00 0.00 66.02 67.63 3kx8 s SER 94 CO 0.75 -0.25 -0.12 -0.69 0.98 0.00 0.00 173.24 173.91 3kx8 s VAL 95 N 0.53 3.12 -0.40 5.02 1.01 -1.26 -0.74 120.40 127.67 3kx8 s VAL 95 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3kx8 s VAL 95 Cb -0.05 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.18 3kx8 s VAL 95 CO -0.02 0.52 0.35 -0.70 0.00 0.00 0.00 175.10 175.26 3kx8 s GLU 96 N 0.37 0.82 4.00 2.72 2.56 -0.31 -5.03 118.70 123.83 3kx8 s GLU 96 Ca -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 54.97 53.12 3kx8 s GLU 96 Cb -0.16 -1.20 0.00 0.00 2.00 0.00 0.00 34.13 34.77 3kx8 s GLU 96 CO 0.05 -1.33 0.00 0.41 -0.56 0.00 0.00 175.26 173.83 3kx8 n GLY 97 N 3.21 0.85 1.86 -1.50 0.00 -1.26 -3.43 105.19 104.93 3kx8 n GLY 97 Ca 0.24 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3kx8 n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kx8 n ARG 98 N 7.39 3.00 -3.99 1.61 -4.01 -1.26 -4.88 116.66 114.53 3kx8 n ARG 98 Ca 0.00 -2.55 -0.30 0.00 -1.04 0.00 0.00 57.85 53.96 3kx8 n ARG 98 Cb 0.00 -2.05 -0.16 0.00 -3.04 0.00 0.00 32.46 27.21 3kx8 n ARG 98 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 3kx8 s ARG 99 N -2.61 2.04 -0.11 2.89 1.04 -1.22 -0.58 118.95 120.40 3kx8 s ARG 99 Ca 0.46 -0.70 0.00 0.00 -1.04 0.00 0.00 55.73 54.46 3kx8 s ARG 99 Cb 0.37 -2.24 -0.02 0.00 -2.04 0.00 0.00 34.95 31.02 3kx8 s ARG 99 CO 0.11 -0.36 -0.11 -0.51 -0.04 0.00 0.00 175.30 174.38 3kx8 s LEU 100 N 1.46 2.84 -0.16 -1.89 1.02 -0.50 -1.17 118.68 120.29 3kx8 s LEU 100 Ca 0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 54.13 53.92 3kx8 s LEU 100 Cb -0.15 -1.63 -0.00 0.00 0.02 0.00 0.00 46.19 44.43 3kx8 s LEU 100 CO -0.09 0.23 -0.14 -0.55 0.02 0.00 0.00 176.35 175.82 3kx8 s SER 101 N -0.02 3.74 -0.03 2.29 0.15 0.08 -1.19 113.70 118.71 3kx8 s SER 101 Ca -0.02 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.21 3kx8 s SER 101 Cb -0.14 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 3kx8 s SER 101 CO 0.04 0.08 -0.13 0.26 1.20 0.00 0.00 173.24 174.69 3kx8 s TRP 102 N 0.84 2.73 -0.12 3.44 0.52 0.27 -0.09 118.94 126.53 3kx8 s TRP 102 Ca -0.04 -0.14 -0.19 0.00 0.02 0.00 0.00 56.10 55.74 3kx8 s TRP 102 Cb -0.15 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 3kx8 s TRP 102 CO -0.00 0.24 0.53 0.50 0.02 0.00 0.00 176.95 178.23 3kx8 s ARG 103 N -0.95 4.34 0.07 4.98 3.52 0.71 -0.45 118.95 131.18 3kx8 s ARG 103 Ca 0.13 0.53 0.09 0.00 -0.13 0.00 0.00 55.73 56.35 3kx8 s ARG 103 Cb -0.11 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3kx8 s ARG 103 CO 0.02 0.10 -0.25 0.14 -0.81 0.00 0.00 175.30 174.50 3kx8 s VAL 104 N 0.80 2.04 -0.05 7.11 -7.23 -0.14 -0.34 120.40 122.59 3kx8 s VAL 104 Ca 0.28 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 3kx8 s VAL 104 Cb -0.16 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.03 3kx8 s VAL 104 CO 0.12 0.21 0.26 -0.55 -0.31 0.00 0.00 175.10 174.83 3kx8 s SER 105 N -1.53 -0.19 -0.00 4.85 0.15 -0.56 -0.79 113.70 115.62 3kx8 s SER 105 Ca 0.11 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.97 3kx8 s SER 105 Cb -0.10 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3kx8 s SER 105 CO 0.03 -0.27 0.07 0.00 1.20 0.00 0.00 173.24 174.27 3kx8 s ALA 106 N -0.66 -0.16 0.00 5.45 0.00 0.76 -0.89 121.76 126.26 3kx8 s ALA 106 Ca -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 3kx8 s ALA 106 Cb -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3kx8 s ALA 106 CO 0.02 -0.15 0.01 -1.58 0.00 0.00 0.00 175.76 174.06 3kx8 s HIS 107 N -1.05 0.09 -0.24 0.00 2.46 -0.73 -0.81 115.29 115.01 3kx8 s HIS 107 Ca -0.11 -0.19 0.13 0.00 0.47 0.00 0.00 55.06 55.36 3kx8 s HIS 107 Cb -0.07 -0.07 0.62 0.00 -0.13 0.00 0.00 32.58 32.93 3kx8 s HIS 107 CO 0.00 -0.10 1.57 -0.40 -2.47 0.00 0.00 174.74 173.34 3kx8 n ASP 108 N 2.38 4.10 0.00 9.88 5.68 -0.37 -0.56 116.55 137.67 3kx8 n ASP 108 Ca -0.18 -3.19 0.00 0.00 -0.50 0.00 0.00 54.79 50.92 3kx8 n ASP 108 Cb 0.58 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3kx8 n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kx8 n GLY 109 N -0.41 2.88 0.58 6.12 0.00 -1.24 -4.12 105.19 109.00 3kx8 n GLY 109 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 3kx8 n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kx8 n VAL 110 N -2.00 0.12 -4.21 1.61 0.31 -1.26 -5.09 118.33 107.81 3kx8 n VAL 110 Ca 0.00 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.13 3kx8 n VAL 110 Cb 0.00 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 31.65 3kx8 n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kx8 s ASP 111 N -4.82 1.73 0.14 4.52 1.01 -1.26 -5.12 116.67 112.87 3kx8 s ASP 111 Ca -0.03 -0.82 -0.31 0.00 0.71 0.00 0.00 52.55 52.10 3kx8 s ASP 111 Cb 0.01 -0.03 -0.08 0.00 1.01 0.00 0.00 42.92 43.83 3kx8 s ASP 111 CO 0.04 -0.21 1.33 -1.61 0.21 0.00 0.00 175.17 174.93 3kx8 s GLU 112 N -2.78 4.36 -0.00 8.23 0.41 -1.26 -1.23 118.70 126.43 3kx8 s GLU 112 Ca 0.08 2.03 0.06 0.00 -0.41 0.00 0.00 54.97 56.72 3kx8 s GLU 112 Cb -0.04 -3.24 -0.08 0.00 -1.78 0.00 0.00 34.13 28.99 3kx8 s GLU 112 CO 0.01 -0.34 0.19 0.44 -0.49 0.00 0.00 175.26 175.07 3kx8 n ILE 113 N 3.40 0.00 -3.64 -1.63 -5.35 0.01 -4.28 119.36 107.87 3kx8 n ILE 113 Ca 0.09 -0.23 -0.02 0.00 -0.27 0.00 0.00 62.75 62.32 3kx8 n ILE 113 Cb 0.43 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 38.92 3kx8 n ILE 113 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kx8 s GLY 114 N -2.24 -0.05 0.07 3.28 0.00 -1.14 -0.40 107.32 106.84 3kx8 s GLY 114 Ca -0.00 2.39 -0.23 0.00 0.00 0.00 0.00 44.72 46.87 3kx8 s GLY 114 CO 0.25 0.88 0.56 -1.35 0.00 0.00 0.00 173.10 173.44 3kx8 s SER 115 N -1.51 -0.49 0.00 1.64 1.04 -1.21 -0.17 113.70 113.00 3kx8 s SER 115 Ca 0.10 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.70 3kx8 s SER 115 Cb -0.01 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3kx8 s SER 115 CO -0.05 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3kx8 n GLY 116 N 0.22 -0.75 3.00 7.32 0.00 0.03 -1.70 105.19 113.31 3kx8 n GLY 116 Ca -0.18 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3kx8 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kx8 s THR 117 N -4.00 0.48 -0.04 2.61 2.01 0.28 -0.97 115.64 116.02 3kx8 s THR 117 Ca 0.00 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.52 3kx8 s THR 117 Cb 0.00 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.08 3kx8 s THR 117 CO 0.00 -0.03 -0.04 -2.28 -0.69 0.00 0.00 174.62 171.58 3kx8 s HIS 118 N -0.50 0.69 0.02 4.92 5.04 0.41 -1.33 115.29 124.53 3kx8 s HIS 118 Ca -0.01 -0.18 0.04 0.00 -1.54 0.00 0.00 55.06 53.37 3kx8 s HIS 118 Cb -0.05 -0.61 -0.03 0.00 0.04 0.00 0.00 32.58 31.93 3kx8 s HIS 118 CO -0.00 -0.16 -0.07 -1.21 -2.34 0.00 0.00 174.74 170.96 3kx8 s GLU 119 N 0.78 2.48 0.06 2.88 0.41 -0.71 -0.56 118.70 124.03 3kx8 s GLU 119 Ca -0.10 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.68 3kx8 s GLU 119 Cb -0.13 -2.46 -0.04 0.00 -1.78 0.00 0.00 34.13 29.72 3kx8 s GLU 119 CO 0.00 0.58 -0.05 1.03 -0.49 0.00 0.00 175.26 176.34 3kx8 s ARG 120 N -1.57 0.63 -0.08 1.61 0.52 -0.33 -0.87 118.95 118.86 3kx8 s ARG 120 Ca 0.18 -1.11 0.02 0.00 -0.52 0.00 0.00 55.73 54.30 3kx8 s ARG 120 Cb -0.11 -0.01 0.01 0.00 0.52 0.00 0.00 34.95 35.36 3kx8 s ARG 120 CO 0.09 -0.05 -0.13 0.00 0.02 0.00 0.00 175.30 175.23 3kx8 s ALA 121 N -3.13 1.39 0.01 2.13 0.00 0.58 -1.41 121.76 121.34 3kx8 s ALA 121 Ca 0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 3kx8 s ALA 121 Cb 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 3kx8 s ALA 121 CO -0.06 0.02 1.42 0.08 0.00 0.00 0.00 175.76 177.22 3kx8 s VAL 122 N 0.84 3.64 0.01 0.00 1.01 0.26 -1.36 120.40 124.80 3kx8 s VAL 122 Ca -0.11 1.04 0.07 0.00 0.00 0.00 0.00 61.98 62.98 3kx8 s VAL 122 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3kx8 s VAL 122 CO 0.02 0.00 -0.21 0.27 0.00 0.00 0.00 175.10 175.18 3kx8 s ILE 123 N 2.32 2.56 -0.04 2.22 -4.36 0.14 -4.94 121.20 119.11 3kx8 s ILE 123 Ca 0.65 -1.11 -0.30 0.00 -0.26 0.00 0.00 60.65 59.63 3kx8 s ILE 123 Cb -0.32 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.33 3kx8 s ILE 123 CO 0.27 0.45 1.41 -1.00 0.24 0.00 0.00 174.94 176.32 3kx8 s HIS 124 N -0.79 2.72 -1.88 1.37 3.76 -1.26 -0.31 115.29 118.90 3kx8 s HIS 124 Ca 0.12 0.76 0.18 0.00 -0.15 0.00 0.00 55.06 55.98 3kx8 s HIS 124 Cb -0.10 -3.67 1.04 0.00 1.11 0.00 0.00 32.58 30.96 3kx8 s HIS 124 CO 0.02 -2.51 1.49 -0.11 -0.85 0.00 0.00 174.74 172.78 3kx8 n LEU 125 N 5.85 0.00 -0.06 0.89 0.00 -0.99 -2.95 117.00 119.74 3kx8 n LEU 125 Ca 0.14 0.06 -0.11 0.00 0.00 0.00 0.00 56.01 56.10 3kx8 n LEU 125 Cb 0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 43.42 43.75 3kx8 n LEU 125 CO 0.59 -0.03 -0.91 1.21 0.00 0.00 0.00 177.39 178.25 3kx8 n GLU 126 N -1.06 0.28 0.00 1.96 4.07 -1.26 -3.11 120.64 121.52 3kx8 n GLU 126 Ca 0.13 0.09 0.03 0.00 -0.06 0.00 0.00 57.16 57.35 3kx8 n GLU 126 Cb 0.08 -1.08 0.16 0.00 -0.06 0.00 0.00 31.44 30.53 3kx8 n GLU 126 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kx8 n LYS 127 N -3.22 0.13 -0.11 5.31 4.81 -1.22 -2.86 118.16 121.00 3kx8 n LYS 127 Ca -0.23 0.12 -0.22 0.00 -0.87 0.00 0.00 58.31 57.11 3kx8 n LYS 127 Cb 0.70 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 34.16 3kx8 n LYS 127 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3kx8 n PHE 128 N -1.14 0.00 0.29 5.64 7.35 -1.15 -4.33 117.46 124.10 3kx8 n PHE 128 Ca 0.04 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.88 3kx8 n PHE 128 Cb 0.03 -0.83 0.86 0.00 0.35 0.00 0.00 39.48 39.89 3kx8 n PHE 128 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3kx8 h ASN 129 N -0.60 0.00 0.06 -2.13 2.35 -1.46 -1.57 115.58 112.23 3kx8 h ASN 129 Ca -0.56 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 54.85 3kx8 h ASN 129 Cb 1.58 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.91 3kx8 h ASN 129 CO -0.28 0.06 -1.94 0.00 -1.65 0.00 0.00 177.43 173.62 3kx8 n ALA 130 N -2.23 0.98 -0.39 -0.83 0.00 -1.14 -1.99 120.51 114.92 3kx8 n ALA 130 Ca -0.02 -0.70 0.31 0.00 0.00 0.00 0.00 53.44 53.03 3kx8 n ALA 130 Cb 0.18 -0.47 0.60 0.00 0.00 0.00 0.00 19.45 19.76 3kx8 n ALA 130 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kx8 h LYS 131 N -0.34 0.21 0.04 0.00 3.64 -1.74 -0.69 116.57 117.69 3kx8 h LYS 131 Ca -0.46 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.65 3kx8 h LYS 131 Cb 1.78 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.56 3kx8 h LYS 131 CO -0.07 0.14 -1.06 0.28 -2.27 0.00 0.00 179.45 176.46 3kx8 h VAL 132 N 0.21 1.38 0.00 2.00 2.07 -1.23 -3.22 116.25 117.46 3kx8 h VAL 132 Ca 0.70 -2.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.68 3kx8 h VAL 132 Cb 2.10 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 34.41 3kx8 h VAL 132 CO -0.32 0.75 -0.15 0.03 0.02 0.00 0.00 177.57 177.90 3kx8 h ARG 133 N 0.24 0.00 0.00 1.57 3.08 -0.67 -2.41 114.38 116.19 3kx8 h ARG 133 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3kx8 h ARG 133 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 3kx8 h ARG 133 CO 0.19 0.15 -0.11 1.04 -1.07 0.00 0.00 179.97 180.17 3kx8 n GLN 134 N -3.69 0.27 0.00 0.04 6.02 -0.36 -3.50 117.38 116.16 3kx8 n GLN 134 Ca -0.02 0.19 0.04 0.00 -0.01 0.00 0.00 57.00 57.21 3kx8 n GLN 134 Cb 0.27 -1.79 0.03 0.00 1.02 0.00 0.00 30.24 29.78 3kx8 n GLN 134 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3kx8 n LYS 135 N -2.24 0.39 -2.59 -1.09 2.85 -1.02 -5.00 118.16 109.45 3kx8 n LYS 135 Ca 0.05 -0.98 -0.37 0.00 -1.05 0.00 0.00 58.31 55.96 3kx8 n LYS 135 Cb 0.43 -1.16 -0.05 0.00 -0.65 0.00 0.00 35.03 33.61 3kx8 n LYS 135 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3kx8 s THR 136 N -0.77 3.79 -2.00 0.58 -4.23 -0.94 -5.11 115.64 106.96 3kx8 s THR 136 Ca 0.10 1.49 0.14 0.00 -1.18 0.00 0.00 61.69 62.24 3kx8 s THR 136 Cb 0.07 -3.83 0.40 0.00 1.34 0.00 0.00 72.50 70.49 3kx8 s THR 136 CO 0.12 0.12 1.27 -2.65 -0.54 0.00 0.00 174.62 172.94