#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx8 n GLY 4 N 0.00 1.22 3.03 0.44 0.00 -1.26 -4.97 105.19 103.64 3kx8 n GLY 4 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3kx8 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kx8 s ARG 6 N 3.67 0.18 0.17 1.61 3.52 -1.26 -5.12 118.95 121.72 3kx8 s ARG 6 Ca 0.00 0.65 -0.32 0.00 -0.13 0.00 0.00 55.73 55.93 3kx8 s ARG 6 Cb 0.00 -0.07 -0.12 0.00 -1.56 0.00 0.00 34.95 33.19 3kx8 s ARG 6 CO 0.00 -0.23 1.72 0.28 -0.81 0.00 0.00 175.30 176.26 3kx8 n VAL 7 N 4.85 0.09 0.00 7.11 0.31 -1.26 -1.64 118.33 127.78 3kx8 n VAL 7 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kx8 n VAL 7 Cb 0.51 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 3kx8 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kx8 n GLY 8 N 3.91 2.21 3.77 2.92 0.00 -0.24 -5.03 105.19 112.73 3kx8 n GLY 8 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.92 4.23 -0.04 1.61 -1.05 -0.65 -4.76 118.70 117.11 3kx8 s GLU 9 Ca 0.00 2.10 0.06 0.00 -0.15 0.00 0.00 54.97 56.98 3kx8 s GLU 9 Cb 0.00 -2.93 -0.02 0.00 -0.44 0.00 0.00 34.13 30.74 3kx8 s GLU 9 CO 0.00 -0.25 -0.23 1.03 0.95 0.00 0.00 175.26 176.75 3kx8 s ARG 10 N -1.96 2.37 -0.05 -4.83 0.52 -1.26 -2.25 118.95 111.49 3kx8 s ARG 10 Ca 0.52 -0.88 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 3kx8 s ARG 10 Cb -0.37 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 3kx8 s ARG 10 CO 0.48 0.49 -0.23 0.12 0.02 0.00 0.00 175.30 176.19 3kx8 s PHE 11 N -0.44 2.46 0.25 -0.53 5.36 -0.32 -4.99 117.98 119.78 3kx8 s PHE 11 Ca 0.05 -0.53 0.12 0.00 -0.96 0.00 0.00 56.93 55.60 3kx8 s PHE 11 Cb -0.12 -1.58 -0.05 0.00 -0.34 0.00 0.00 43.02 40.93 3kx8 s PHE 11 CO 0.01 -0.09 -0.20 0.95 -1.46 0.00 0.00 175.22 174.43 3kx8 s THR 12 N -0.38 2.52 -0.24 0.12 -4.23 -1.26 -0.46 115.64 111.70 3kx8 s THR 12 Ca 0.03 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.24 3kx8 s THR 12 Cb -0.12 -2.28 0.12 0.00 1.34 0.00 0.00 72.50 71.56 3kx8 s THR 12 CO 0.02 -0.29 0.50 -2.28 -0.54 0.00 0.00 174.62 172.02 3kx8 s HIS 13 N -2.19 -1.04 0.05 3.99 2.46 -0.38 -5.00 115.29 113.18 3kx8 s HIS 13 Ca 0.27 1.70 0.02 0.00 0.47 0.00 0.00 55.06 57.51 3kx8 s HIS 13 Cb -0.06 0.44 -0.04 0.00 -0.13 0.00 0.00 32.58 32.79 3kx8 s HIS 13 CO 0.14 -0.60 0.09 -0.51 -2.47 0.00 0.00 174.74 171.38 3kx8 s ASP 14 N 2.71 5.64 -0.26 9.88 1.01 -1.26 -0.73 116.67 133.65 3kx8 s ASP 14 Ca 0.01 0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.30 3kx8 s ASP 14 Cb -0.13 -1.57 0.15 0.00 1.01 0.00 0.00 42.92 42.38 3kx8 s ASP 14 CO -0.16 0.21 0.50 0.12 0.21 0.00 0.00 175.17 176.05 3kx8 s PHE 15 N -1.33 -1.18 -0.13 4.23 5.36 0.03 -4.98 117.98 119.99 3kx8 s PHE 15 Ca 0.27 1.45 -0.29 0.00 -0.96 0.00 0.00 56.93 57.40 3kx8 s PHE 15 Cb -0.12 0.36 -0.03 0.00 -0.34 0.00 0.00 43.02 42.89 3kx8 s PHE 15 CO 0.20 -0.74 1.42 0.08 -1.46 0.00 0.00 175.22 174.72 3kx8 s VAL 16 N 2.72 4.00 -0.18 3.12 1.01 -1.26 0.57 120.40 130.37 3kx8 s VAL 16 Ca 0.11 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 3kx8 s VAL 16 Cb -0.14 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3kx8 s VAL 16 CO -0.18 -0.12 1.48 -0.69 0.00 0.00 0.00 175.10 175.59 3kx8 s VAL 17 N 3.78 3.89 0.60 2.92 1.01 -0.42 -4.90 120.40 127.28 3kx8 s VAL 17 Ca 0.62 1.05 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 3kx8 s VAL 17 Cb -0.26 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.34 3kx8 s VAL 17 CO 0.21 -0.22 0.90 -2.16 0.00 0.00 0.00 175.10 173.82 3kx8 s PRO 18 N 4.13 2.82 0.43 2.72 0.04 -1.26 0.10 135.00 143.99 3kx8 s PRO 18 Ca 0.65 -0.09 0.18 0.00 0.04 0.00 0.00 61.00 61.78 3kx8 s PRO 18 Cb -0.25 -2.28 1.10 0.00 0.04 0.00 0.00 34.50 33.12 3kx8 s PRO 18 CO 0.24 -0.75 1.88 -1.35 0.04 0.00 0.00 177.00 177.07 3kx8 h PRO 19 N -0.19 0.36 -0.35 0.56 0.11 -1.95 -2.78 132.00 127.77 3kx8 h PRO 19 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kx8 h PRO 19 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kx8 h PRO 19 CO 0.60 0.24 0.00 -2.39 -0.21 0.00 0.00 178.00 176.24 3kx8 n HIS 20 N -4.48 0.20 -1.34 0.65 1.44 -1.26 -3.40 115.22 107.04 3kx8 n HIS 20 Ca 0.17 -0.09 -0.01 0.00 -2.01 0.00 0.00 57.72 55.79 3kx8 n HIS 20 Cb 0.65 -0.05 0.21 0.00 0.12 0.00 0.00 29.99 30.93 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 -0.09 2.05 -2.42 -1.40 4.76 -1.05 -4.77 118.16 115.24 3kx8 n LYS 21 Ca 0.04 -3.09 -0.24 0.00 -2.87 0.00 0.00 58.31 52.16 3kx8 n LYS 21 Cb 0.18 -1.81 0.06 0.00 -1.84 0.00 0.00 35.03 31.63 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 -3.14 2.41 0.21 -0.18 -4.23 -1.22 -2.58 115.64 106.90 3kx8 s THR 22 Ca 0.44 -0.47 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 3kx8 s THR 22 Cb 0.39 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.43 3kx8 s THR 22 CO 0.02 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 176.42 3kx8 h VAL 23 N -0.35 0.77 -0.58 2.29 2.07 -1.74 -0.50 116.25 118.21 3kx8 h VAL 23 Ca -0.42 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.11 3kx8 h VAL 23 Cb 1.30 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3kx8 h VAL 23 CO 0.53 0.08 0.41 0.03 0.02 0.00 0.00 177.57 178.64 3kx8 h ARG 24 N 0.41 0.05 0.00 1.57 3.08 -1.89 -2.49 114.38 115.12 3kx8 h ARG 24 Ca 0.31 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3kx8 h ARG 24 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kx8 h ARG 24 CO -0.30 0.03 -0.74 0.45 -1.07 0.00 0.00 179.97 178.34 3kx8 h HIS 25 N 0.05 0.00 -0.14 3.04 3.86 -1.39 -2.74 115.15 117.83 3kx8 h HIS 25 Ca 0.28 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 3kx8 h HIS 25 Cb 1.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 3kx8 h HIS 25 CO -0.00 0.00 -0.11 1.25 0.86 0.00 0.00 177.93 179.93 3kx8 h LEU 26 N 0.00 0.33 -6.78 2.43 5.85 -1.23 -3.37 115.31 112.54 3kx8 h LEU 26 Ca 0.00 -0.46 -0.61 0.00 0.84 0.00 0.00 57.88 57.65 3kx8 h LEU 26 Cb 0.99 -0.09 -0.41 0.00 0.37 0.00 0.00 40.66 41.51 3kx8 h LEU 26 CO 0.00 0.72 -0.64 -1.22 -0.34 0.00 0.00 178.44 176.96 3kx8 n TYR 27 N -4.61 2.73 0.23 1.25 4.01 -1.23 -4.94 117.16 114.61 3kx8 n TYR 27 Ca -0.06 -4.14 0.18 0.00 -0.16 0.00 0.00 57.90 53.71 3kx8 n TYR 27 Cb 0.33 -0.50 0.87 0.00 -0.31 0.00 0.00 39.34 39.73 3kx8 n TYR 27 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3kx8 h PRO 28 N 5.12 0.00 0.00 -0.72 0.11 -1.65 0.76 132.00 135.62 3kx8 h PRO 28 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kx8 h PRO 28 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3kx8 h PRO 28 CO 0.69 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 3kx8 n GLU 29 N -3.59 0.93 -3.46 1.05 0.00 -1.26 -4.77 120.64 109.54 3kx8 n GLU 29 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.74 3kx8 n GLU 29 Cb 0.31 -1.41 -0.10 0.00 0.00 0.00 0.00 31.44 30.24 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 -1.84 6.11 0.32 -1.84 0.15 0.26 -4.92 113.70 111.93 3kx8 s SER 30 Ca 0.37 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 56.11 3kx8 s SER 30 Cb 0.17 -2.16 0.54 0.00 -1.71 0.00 0.00 66.02 62.86 3kx8 s SER 30 CO 0.29 -0.46 1.91 -0.65 1.20 0.00 0.00 173.24 175.52 3kx8 h PRO 31 N 8.63 0.76 0.00 5.44 0.11 -1.87 -2.51 132.00 142.56 3kx8 h PRO 31 Ca -0.27 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 3kx8 h PRO 31 Cb 1.12 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kx8 h PRO 31 CO 0.74 0.63 -0.17 0.93 -0.21 0.00 0.00 178.00 179.92 3kx8 h GLU 32 N 0.75 0.00 0.00 1.05 3.07 -1.96 -2.89 114.58 114.60 3kx8 h GLU 32 Ca 0.18 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 3kx8 h GLU 32 Cb 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3kx8 h GLU 32 CO -0.02 0.17 -1.49 1.19 -1.40 0.00 0.00 179.01 177.46 3kx8 n PHE 33 N -3.69 0.57 0.26 4.33 0.99 -0.99 -4.54 117.46 114.39 3kx8 n PHE 33 Ca -0.02 0.17 0.13 0.00 -0.00 0.00 0.00 57.45 57.74 3kx8 n PHE 33 Cb 0.28 -0.81 0.70 0.00 -1.00 0.00 0.00 39.48 38.66 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 1.88 1.20 -0.16 4.37 0.00 -1.24 0.04 119.26 125.35 3kx8 h ALA 34 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kx8 h ALA 34 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kx8 h ALA 34 CO 0.01 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.45 3kx8 n GLU 35 N -2.58 2.70 -2.05 0.00 1.02 -1.26 -4.97 120.64 113.50 3kx8 n GLU 35 Ca -0.02 -2.06 -0.37 0.00 -0.02 0.00 0.00 57.16 54.70 3kx8 n GLU 35 Cb 0.27 -1.30 0.02 0.00 -0.02 0.00 0.00 31.44 30.41 3kx8 n GLU 35 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3kx8 s PHE 36 N -1.56 2.52 0.96 -0.32 0.08 -0.00 -4.99 117.98 114.67 3kx8 s PHE 36 Ca 0.19 1.49 -0.13 0.00 0.12 0.00 0.00 56.93 58.60 3kx8 s PHE 36 Cb 0.14 -3.51 0.03 0.00 -0.57 0.00 0.00 43.02 39.10 3kx8 s PHE 36 CO 0.07 -2.13 0.29 -0.35 -0.10 0.00 0.00 175.22 173.00 3kx8 n PRO 37 N -1.13 -0.35 -3.28 0.24 -0.04 -1.26 -4.85 135.00 124.33 3kx8 n PRO 37 Ca 0.11 -0.06 -0.45 0.00 -0.04 0.00 0.00 63.50 63.05 3kx8 n PRO 37 Cb 0.48 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 3kx8 n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kx8 s GLU 38 N -3.50 4.01 0.09 0.54 2.02 -1.26 -4.61 118.70 115.99 3kx8 s GLU 38 Ca 0.55 -2.90 0.06 0.00 0.02 0.00 0.00 54.97 52.70 3kx8 s GLU 38 Cb -0.20 -4.59 -0.03 0.00 0.10 0.00 0.00 34.13 29.41 3kx8 s GLU 38 CO 0.69 -1.33 -0.15 0.14 0.02 0.00 0.00 175.26 174.63 3kx8 s VAL 39 N -0.44 1.26 -0.24 2.63 -7.23 -1.26 -4.29 120.40 110.83 3kx8 s VAL 39 Ca 0.29 -1.47 -0.37 0.00 -1.81 0.00 0.00 61.98 58.61 3kx8 s VAL 39 Cb -0.09 -1.29 -0.13 0.00 0.56 0.00 0.00 36.38 35.43 3kx8 s VAL 39 CO -0.08 -0.27 1.90 0.33 -0.31 0.00 0.00 175.10 176.68 3kx8 n PHE 40 N 1.00 2.04 -2.44 2.82 -0.00 -0.29 -2.46 117.46 118.13 3kx8 n PHE 40 Ca -0.19 0.30 -0.37 0.00 -0.00 0.00 0.00 57.45 57.19 3kx8 n PHE 40 Cb 0.55 -2.54 -0.03 0.00 -0.00 0.00 0.00 39.48 37.46 3kx8 n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kx8 s ALA 41 N 4.66 3.03 0.27 3.13 0.00 -1.07 -4.77 121.76 127.02 3kx8 s ALA 41 Ca 0.99 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 3kx8 s ALA 41 Cb -0.90 -3.31 0.46 0.00 0.00 0.00 0.00 23.12 19.37 3kx8 s ALA 41 CO 0.57 -0.38 1.85 1.15 0.00 0.00 0.00 175.76 178.95 3kx8 h THR 42 N 2.04 1.00 -0.23 0.00 2.02 -1.94 -1.69 112.91 114.11 3kx8 h THR 42 Ca -0.49 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 3kx8 h THR 42 Cb 1.23 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3kx8 h THR 42 CO 0.61 0.19 0.00 1.23 0.37 0.00 0.00 175.52 177.93 3kx8 h GLY 43 N 1.05 0.36 -1.99 2.16 0.00 -1.99 0.04 103.07 102.70 3kx8 h GLY 43 Ca 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3kx8 h GLY 43 CO -0.22 0.18 0.00 0.69 0.00 0.00 0.00 176.54 177.19 3kx8 n PHE 44 N -4.35 0.00 0.00 5.60 3.72 -0.64 -2.57 117.46 119.23 3kx8 n PHE 44 Ca 0.00 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3kx8 n PHE 44 Cb 0.20 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.62 0.00 -0.05 -4.37 0.31 -0.00 -1.20 118.33 113.64 3kx8 n VAL 46 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3kx8 n VAL 46 Cb 0.37 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.54 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 0.70 -1.44 2.92 0.00 -1.76 -1.41 103.07 102.07 3kx8 h GLY 47 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kx8 h GLY 47 CO 0.00 0.40 0.00 -0.10 0.00 0.00 0.00 176.54 176.84 3kx8 n LEU 48 N -4.25 0.28 0.00 3.11 7.94 -0.34 -1.50 117.00 122.23 3kx8 n LEU 48 Ca 0.02 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 3kx8 n LEU 48 Cb 0.26 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.14 3kx8 n LEU 48 CO 0.40 0.05 0.00 -0.62 -1.11 0.00 0.00 177.39 176.11 3kx8 n GLU 50 N 0.65 0.00 -0.22 1.96 1.02 -0.53 -1.76 120.64 121.76 3kx8 n GLU 50 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3kx8 n GLU 50 Cb 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.98 -0.30 -0.32 7.01 -1.54 0.16 115.95 121.94 3kx8 h TRP 51 Ca 0.00 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.90 3kx8 h TRP 51 Cb 0.00 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3kx8 h TRP 51 CO 0.00 0.81 0.19 0.00 -2.79 0.00 0.00 178.44 176.65 3kx8 h ALA 52 N 1.06 0.38 -0.71 2.65 0.00 -1.62 -1.44 119.26 119.58 3kx8 h ALA 52 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kx8 h ALA 52 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3kx8 h ALA 52 CO -0.01 -0.14 0.20 0.00 0.00 0.00 0.00 179.25 179.30 3kx8 h VAL 54 N 1.06 1.24 -0.23 0.00 2.07 -0.55 -3.11 116.25 116.73 3kx8 h VAL 54 Ca 0.23 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3kx8 h VAL 54 Cb 0.34 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3kx8 h VAL 54 CO -0.00 0.29 0.03 0.03 0.02 0.00 0.00 177.57 177.93 3kx8 h ARG 55 N 1.00 0.39 -0.44 1.57 3.08 -1.07 -2.40 114.38 116.51 3kx8 h ARG 55 Ca 0.24 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kx8 h ARG 55 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3kx8 h ARG 55 CO -0.03 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 3kx8 n ALA 56 N -2.32 0.91 0.00 0.04 0.00 -0.70 -4.50 120.51 113.95 3kx8 n ALA 56 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kx8 n ALA 56 Cb 0.21 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.53 0.00 0.20 0.00 0.00 -0.91 -4.74 120.51 115.59 3kx8 n ALA 58 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3kx8 n ALA 58 Cb 0.00 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.08 3kx8 n ALA 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kx8 h PRO 59 N 0.00 0.00 -0.01 0.00 0.11 -1.90 -2.83 132.00 127.37 3kx8 h PRO 59 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kx8 h PRO 59 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kx8 h PRO 59 CO 0.00 0.00 -0.24 0.66 -0.21 0.00 0.00 178.00 178.21 3kx8 n TYR 60 N -2.32 0.00 -3.30 0.65 4.01 -1.26 -4.65 117.16 110.29 3kx8 n TYR 60 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.35 3kx8 n TYR 60 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.82 4.46 0.60 7.72 1.43 -1.07 -4.92 118.68 125.07 3kx8 s LEU 61 Ca 0.14 1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 54.28 3kx8 s LEU 61 Cb 0.13 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3kx8 s LEU 61 CO 0.34 0.21 1.10 -1.61 0.23 0.00 0.00 176.35 176.62 3kx8 s GLU 62 N -1.42 3.16 0.26 1.70 0.41 -1.26 -4.93 118.70 116.63 3kx8 s GLU 62 Ca 0.32 1.40 -0.30 0.00 -0.41 0.00 0.00 54.97 55.98 3kx8 s GLU 62 Cb -0.18 -2.00 -0.13 0.00 -1.78 0.00 0.00 34.13 30.04 3kx8 s GLU 62 CO 0.19 -0.97 1.40 -2.30 -0.49 0.00 0.00 175.26 173.09 3kx8 n PRO 63 N -1.91 2.12 -0.50 0.39 -0.02 -1.26 -1.17 135.00 132.65 3kx8 n PRO 63 Ca 0.10 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3kx8 n PRO 63 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.89 1.30 3.90 -1.23 0.00 -1.26 -5.05 105.19 104.73 3kx8 n GLY 64 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.26 3.59 0.00 1.61 2.02 -0.31 -1.26 118.70 124.08 3kx8 s GLU 65 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3kx8 s GLU 65 Cb 0.00 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3kx8 s GLU 65 CO 0.00 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3kx8 n GLY 66 N 0.41 4.65 3.33 -1.39 0.00 0.47 -4.84 105.19 107.82 3kx8 n GLY 66 Ca -0.05 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 1.18 -0.29 0.02 1.61 1.04 -1.26 -0.79 113.70 115.20 3kx8 s SER 67 Ca 0.00 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.25 3kx8 s SER 67 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 3kx8 s SER 67 CO 0.00 -0.85 -0.15 -0.76 0.98 0.00 0.00 173.24 172.47 3kx8 s LEU 68 N -2.69 2.10 0.23 2.42 1.43 -0.54 -4.93 118.68 116.71 3kx8 s LEU 68 Ca 0.02 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 3kx8 s LEU 68 Cb 0.01 -0.69 -0.09 0.00 0.03 0.00 0.00 46.19 45.45 3kx8 s LEU 68 CO -0.11 0.11 1.13 -0.83 0.23 0.00 0.00 176.35 176.89 3kx8 s GLY 69 N -0.75 2.90 -0.00 -3.19 0.00 -1.26 -0.74 107.32 104.28 3kx8 s GLY 69 Ca 0.04 0.90 0.02 0.00 0.00 0.00 0.00 44.72 45.68 3kx8 s GLY 69 CO 0.00 1.65 0.05 -1.30 0.00 0.00 0.00 173.10 173.51 3kx8 n THR 70 N 1.84 0.00 -3.56 0.90 -2.24 0.66 -4.91 114.28 106.97 3kx8 n THR 70 Ca 0.01 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3kx8 n THR 70 Cb 0.45 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.53 -1.85 -0.02 6.98 0.00 -1.13 -4.97 121.76 119.24 3kx8 s ALA 71 Ca 0.00 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 3kx8 s ALA 71 Cb 0.01 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3kx8 s ALA 71 CO 0.07 -0.33 0.04 -1.50 0.00 0.00 0.00 175.76 174.03 3kx8 s ILE 72 N -0.87 -0.03 -0.32 0.00 1.10 -1.26 -1.51 121.20 118.32 3kx8 s ILE 72 Ca -0.05 0.09 -0.00 0.00 -0.51 0.00 0.00 60.65 60.18 3kx8 s ILE 72 Cb -0.01 -0.07 0.13 0.00 0.15 0.00 0.00 42.46 42.66 3kx8 s ILE 72 CO 0.04 0.04 0.27 0.00 -2.11 0.00 0.00 174.94 173.18 3kx8 s VAL 74 N 1.86 0.22 0.39 0.00 -7.23 -1.26 -0.97 120.40 113.41 3kx8 s VAL 74 Ca 0.13 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 3kx8 s VAL 74 Cb -0.16 -0.29 -0.06 0.00 0.56 0.00 0.00 36.38 36.43 3kx8 s VAL 74 CO -0.21 -0.27 0.72 0.42 -0.31 0.00 0.00 175.10 175.45 3kx8 s THR 75 N -0.91 4.87 -0.31 5.32 -4.23 -0.59 -4.94 115.64 114.84 3kx8 s THR 75 Ca -0.08 0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 3kx8 s THR 75 Cb -0.07 -3.76 0.10 0.00 1.34 0.00 0.00 72.50 70.12 3kx8 s THR 75 CO -0.00 -0.52 0.12 -2.28 -0.54 0.00 0.00 174.62 171.40 3kx8 s HIS 76 N -2.36 1.03 -0.23 3.99 2.46 -1.26 -3.25 115.29 115.67 3kx8 s HIS 76 Ca 0.49 -1.36 0.12 0.00 0.47 0.00 0.00 55.06 54.77 3kx8 s HIS 76 Cb -0.10 -1.30 -0.17 0.00 -0.13 0.00 0.00 32.58 30.88 3kx8 s HIS 76 CO 0.33 -0.85 0.36 0.25 -2.47 0.00 0.00 174.74 172.36 3kx8 n THR 77 N 4.93 0.00 -4.03 0.89 -2.24 0.33 -4.97 114.28 109.20 3kx8 n THR 77 Ca -0.03 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 3kx8 n THR 77 Cb 0.41 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.57 0.29 0.08 6.98 0.00 -1.25 -5.02 121.76 120.27 3kx8 s ALA 78 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3kx8 s ALA 78 Cb 0.08 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 3kx8 s ALA 78 CO 0.50 -0.30 0.31 0.00 0.00 0.00 0.00 175.76 176.27 3kx8 s ALA 79 N -2.96 3.84 -0.22 0.00 0.00 -1.26 -4.81 121.76 116.36 3kx8 s ALA 79 Ca -0.02 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 3kx8 s ALA 79 Cb 0.01 -2.06 0.06 0.00 0.00 0.00 0.00 23.12 21.12 3kx8 s ALA 79 CO -0.06 0.68 -0.04 0.99 0.00 0.00 0.00 175.76 177.33 3kx8 s THR 80 N -1.49 1.27 0.70 0.00 2.01 -1.26 -5.02 115.64 111.85 3kx8 s THR 80 Ca 0.35 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 3kx8 s THR 80 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.82 3kx8 s THR 80 CO 0.22 -0.08 1.06 -2.16 -0.69 0.00 0.00 174.62 172.97 3kx8 s PRO 81 N 1.52 2.92 0.51 4.92 0.04 -1.26 -1.14 135.00 142.51 3kx8 s PRO 81 Ca -0.04 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 3kx8 s PRO 81 Cb -0.18 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 3kx8 s PRO 81 CO -0.07 -1.10 1.24 -2.30 0.04 0.00 0.00 177.00 174.80 3kx8 n PRO 82 N -3.13 1.60 0.00 0.56 -0.02 -1.26 -3.44 135.00 129.31 3kx8 n PRO 82 Ca 0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3kx8 n PRO 82 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.90 3.24 3.87 -1.23 0.00 0.12 -4.99 105.19 107.09 3kx8 n GLY 83 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 3.80 -0.26 0.99 1.43 -1.22 -4.82 118.68 118.60 3kx8 s LEU 84 Ca 0.00 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.13 3kx8 s LEU 84 Cb 0.00 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 3kx8 s LEU 84 CO 0.00 -0.43 0.40 -0.89 0.23 0.00 0.00 176.35 175.67 3kx8 s THR 85 N -2.41 5.16 -0.22 5.49 2.01 -1.26 -1.30 115.64 123.10 3kx8 s THR 85 Ca 0.52 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.96 3kx8 s THR 85 Cb -0.10 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 3kx8 s THR 85 CO 0.31 0.16 0.66 -0.69 -0.69 0.00 0.00 174.62 174.37 3kx8 s VAL 86 N 1.98 4.98 -0.31 3.82 1.01 0.19 -3.80 120.40 128.28 3kx8 s VAL 86 Ca 0.17 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.23 3kx8 s VAL 86 Cb -0.16 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3kx8 s VAL 86 CO 0.09 0.05 0.27 -0.89 0.00 0.00 0.00 175.10 174.63 3kx8 s THR 87 N 2.26 5.25 -0.19 3.92 2.01 0.50 -0.79 115.64 128.61 3kx8 s THR 87 Ca 0.29 0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 3kx8 s THR 87 Cb -0.16 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3kx8 s THR 87 CO 0.09 0.07 0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 3kx8 s VAL 88 N 1.85 5.40 -0.20 3.82 1.01 0.09 -1.91 120.40 130.46 3kx8 s VAL 88 Ca 0.09 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 3kx8 s VAL 88 Cb -0.17 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3kx8 s VAL 88 CO 0.11 0.45 0.01 -0.89 0.00 0.00 0.00 175.10 174.78 3kx8 s THR 89 N 0.27 4.10 -0.21 3.92 2.01 -0.14 -1.26 115.64 124.34 3kx8 s THR 89 Ca 0.10 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 3kx8 s THR 89 Cb -0.11 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.55 3kx8 s THR 89 CO -0.01 0.43 -0.11 0.00 -0.69 0.00 0.00 174.62 174.24 3kx8 s ALA 90 N 0.94 2.59 -0.14 7.40 0.00 0.39 -1.65 121.76 131.29 3kx8 s ALA 90 Ca 0.02 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 3kx8 s ALA 90 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3kx8 s ALA 90 CO 0.02 -0.43 -0.13 -2.00 0.00 0.00 0.00 175.76 173.22 3kx8 s GLU 91 N 1.38 3.35 -0.05 0.00 2.12 0.28 -1.17 118.70 124.62 3kx8 s GLU 91 Ca 0.05 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 3kx8 s GLU 91 Cb -0.14 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.58 3kx8 s GLU 91 CO -0.08 0.17 1.16 -1.17 -0.54 0.00 0.00 175.26 174.80 3kx8 s LEU 92 N 0.47 4.29 -0.20 2.70 2.96 -0.95 -0.07 118.68 127.87 3kx8 s LEU 92 Ca -0.10 1.78 0.05 0.00 -0.22 0.00 0.00 54.13 55.65 3kx8 s LEU 92 Cb -0.16 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 3kx8 s LEU 92 CO 0.05 -0.53 -0.13 0.54 -1.32 0.00 0.00 176.35 174.95 3kx8 n ARG 93 N 4.97 0.71 -3.53 1.98 1.74 0.95 -1.08 116.66 122.40 3kx8 n ARG 93 Ca 0.10 0.09 -0.15 0.00 -0.77 0.00 0.00 57.85 57.13 3kx8 n ARG 93 Cb 0.47 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.43 3kx8 n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kx8 s SER 94 N -5.84 -0.55 -0.08 0.55 1.04 -1.18 -4.87 113.70 102.78 3kx8 s SER 94 Ca -0.24 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.70 3kx8 s SER 94 Cb 0.07 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3kx8 s SER 94 CO 0.54 -0.57 -0.08 -0.69 0.98 0.00 0.00 173.24 173.43 3kx8 s VAL 95 N -1.56 0.87 -0.47 5.02 1.01 -1.26 -1.36 120.40 122.65 3kx8 s VAL 95 Ca -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3kx8 s VAL 95 Cb -0.00 -0.87 0.16 0.00 0.00 0.00 0.00 36.38 35.67 3kx8 s VAL 95 CO 0.04 0.32 0.34 -1.61 0.00 0.00 0.00 175.10 174.19 3kx8 s GLU 96 N 1.18 1.27 7.16 2.72 2.02 -0.14 -5.02 118.70 127.89 3kx8 s GLU 96 Ca -0.06 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 52.66 3kx8 s GLU 96 Cb -0.14 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3kx8 s GLU 96 CO -0.02 -1.31 0.00 0.41 0.02 0.00 0.00 175.26 174.36 3kx8 n GLY 97 N 2.90 2.65 0.02 -1.39 0.00 -1.26 -2.89 105.19 105.23 3kx8 n GLY 97 Ca 0.22 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3kx8 n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kx8 n ARG 98 N 7.62 0.06 -3.52 1.61 1.74 -1.26 -4.83 116.66 118.08 3kx8 n ARG 98 Ca 0.00 0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.74 3kx8 n ARG 98 Cb 0.00 -1.55 -0.08 0.00 -1.02 0.00 0.00 32.46 29.80 3kx8 n ARG 98 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kx8 s ARG 99 N -3.03 4.13 -0.00 5.56 0.52 -1.14 -0.03 118.95 124.96 3kx8 s ARG 99 Ca 0.12 -0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.35 3kx8 s ARG 99 Cb 0.17 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 3kx8 s ARG 99 CO 0.62 0.01 -0.13 -0.51 0.02 0.00 0.00 175.30 175.32 3kx8 s LEU 100 N 1.18 2.86 -0.09 2.53 1.43 0.26 -0.96 118.68 125.88 3kx8 s LEU 100 Ca 0.14 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3kx8 s LEU 100 Cb -0.14 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3kx8 s LEU 100 CO 0.06 0.29 -0.13 -0.44 0.23 0.00 0.00 176.35 176.37 3kx8 s SER 101 N -1.20 4.11 0.05 2.29 0.01 -0.46 -1.02 113.70 117.47 3kx8 s SER 101 Ca 0.14 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.24 3kx8 s SER 101 Cb -0.11 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 3kx8 s SER 101 CO 0.05 0.26 -0.19 0.26 0.41 0.00 0.00 173.24 174.03 3kx8 s TRP 102 N -0.23 1.65 -0.20 2.43 0.52 0.11 -0.04 118.94 123.19 3kx8 s TRP 102 Ca 0.01 -0.37 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 3kx8 s TRP 102 Cb -0.13 -0.97 -0.05 0.00 -1.15 0.00 0.00 33.47 31.17 3kx8 s TRP 102 CO 0.03 0.09 0.23 0.50 0.02 0.00 0.00 176.95 177.82 3kx8 s ARG 103 N -1.26 4.18 0.04 4.98 3.52 0.90 -0.75 118.95 130.57 3kx8 s ARG 103 Ca 0.06 -0.06 0.09 0.00 -0.13 0.00 0.00 55.73 55.68 3kx8 s ARG 103 Cb -0.09 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3kx8 s ARG 103 CO 0.02 0.16 -0.26 0.14 -0.81 0.00 0.00 175.30 174.55 3kx8 s VAL 104 N 0.73 2.18 -0.07 7.11 -7.23 0.09 -0.55 120.40 122.65 3kx8 s VAL 104 Ca 0.12 -1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 3kx8 s VAL 104 Cb -0.13 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.99 3kx8 s VAL 104 CO 0.03 0.37 0.34 -0.55 -0.31 0.00 0.00 175.10 174.98 3kx8 s SER 105 N -1.24 -0.29 -0.01 4.85 0.15 -0.66 -0.38 113.70 116.12 3kx8 s SER 105 Ca 0.12 0.40 -0.06 0.00 0.70 0.00 0.00 55.95 57.11 3kx8 s SER 105 Cb -0.10 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3kx8 s SER 105 CO 0.02 -0.30 0.13 0.00 1.20 0.00 0.00 173.24 174.29 3kx8 s ALA 106 N -0.62 -0.30 -0.07 5.45 0.00 0.37 -0.97 121.76 125.63 3kx8 s ALA 106 Ca -0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 3kx8 s ALA 106 Cb -0.04 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3kx8 s ALA 106 CO 0.03 -0.17 0.19 -1.58 0.00 0.00 0.00 175.76 174.22 3kx8 s HIS 107 N -1.08 -0.20 -0.22 0.00 5.04 -0.80 -0.76 115.29 117.27 3kx8 s HIS 107 Ca -0.12 0.48 0.15 0.00 -1.54 0.00 0.00 55.06 54.03 3kx8 s HIS 107 Cb -0.06 0.07 0.62 0.00 0.04 0.00 0.00 32.58 33.24 3kx8 s HIS 107 CO 0.01 -0.11 1.54 -0.40 -2.34 0.00 0.00 174.74 173.45 3kx8 n ASP 108 N 2.91 4.26 0.00 9.88 5.68 -0.15 -0.37 116.55 138.76 3kx8 n ASP 108 Ca -0.13 -3.10 0.00 0.00 -0.50 0.00 0.00 54.79 51.06 3kx8 n ASP 108 Cb 0.59 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 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 -0.30 2.91 0.45 6.12 0.00 -1.25 -4.21 105.19 108.92 3kx8 n GLY 109 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.93 0.98 -4.21 1.61 0.31 -1.26 -5.07 118.33 109.77 3kx8 n VAL 110 Ca 0.00 -0.24 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 3kx8 n VAL 110 Cb 0.00 -1.75 -0.12 0.00 -0.91 0.00 0.00 33.84 31.06 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 -6.59 1.90 0.10 4.52 1.01 -1.26 -5.11 116.67 111.24 3kx8 s ASP 111 Ca -0.25 -0.69 -0.31 0.00 0.71 0.00 0.00 52.55 52.02 3kx8 s ASP 111 Cb 0.09 -0.07 -0.09 0.00 1.01 0.00 0.00 42.92 43.87 3kx8 s ASP 111 CO 0.31 -0.08 1.58 -0.70 0.21 0.00 0.00 175.17 176.50 3kx8 s GLU 112 N -2.05 4.22 -0.01 8.23 2.56 -1.26 -0.98 118.70 129.41 3kx8 s GLU 112 Ca 0.03 2.29 0.12 0.00 0.00 0.00 0.00 54.97 57.41 3kx8 s GLU 112 Cb -0.08 -3.41 -0.16 0.00 2.00 0.00 0.00 34.13 32.47 3kx8 s GLU 112 CO 0.03 -0.65 0.39 0.44 -0.56 0.00 0.00 175.26 174.90 3kx8 n ILE 113 N 4.39 0.00 0.00 -3.70 -5.35 0.06 -4.25 119.36 110.51 3kx8 n ILE 113 Ca 0.15 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3kx8 n ILE 113 Cb 0.40 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 3kx8 n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kx8 n GLY 114 N 1.55 1.54 3.56 3.28 0.00 -1.17 -0.52 105.19 113.43 3kx8 n GLY 114 Ca -0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3kx8 n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kx8 s SER 115 N 0.00 -0.36 0.00 1.61 1.04 -1.20 -0.48 113.70 114.30 3kx8 s SER 115 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3kx8 s SER 115 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3kx8 s SER 115 CO 0.00 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.02 3kx8 n GLY 116 N -0.34 -0.50 3.19 7.32 0.00 0.49 -1.54 105.19 113.81 3kx8 n GLY 116 Ca -0.10 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 3kx8 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kx8 s THR 117 N -3.34 1.17 -0.04 2.61 -4.23 -0.14 -0.73 115.64 110.93 3kx8 s THR 117 Ca 0.00 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3kx8 s THR 117 Cb 0.00 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.70 3kx8 s THR 117 CO 0.00 -0.26 0.09 -2.28 -0.54 0.00 0.00 174.62 171.63 3kx8 s HIS 118 N -1.44 -0.08 -0.05 3.99 5.04 0.07 -1.20 115.29 121.62 3kx8 s HIS 118 Ca 0.00 0.30 0.04 0.00 -1.54 0.00 0.00 55.06 53.87 3kx8 s HIS 118 Cb -0.09 -0.10 -0.02 0.00 0.04 0.00 0.00 32.58 32.41 3kx8 s HIS 118 CO 0.02 -0.11 -0.18 -1.21 -2.34 0.00 0.00 174.74 170.93 3kx8 s GLU 119 N 0.83 2.50 0.13 2.88 8.01 -0.57 0.09 118.70 132.58 3kx8 s GLU 119 Ca -0.07 -0.76 0.05 0.00 0.01 0.00 0.00 54.97 54.21 3kx8 s GLU 119 Cb -0.09 -2.31 -0.04 0.00 -4.31 0.00 0.00 34.13 27.38 3kx8 s GLU 119 CO -0.03 0.55 -0.12 1.03 0.01 0.00 0.00 175.26 176.70 3kx8 s ARG 120 N -0.56 1.04 -0.08 1.61 0.52 -0.19 -0.25 118.95 121.05 3kx8 s ARG 120 Ca 0.08 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.00 3kx8 s ARG 120 Cb -0.11 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.58 3kx8 s ARG 120 CO 0.01 0.13 -0.20 0.00 0.02 0.00 0.00 175.30 175.26 3kx8 s ALA 121 N -2.64 1.85 0.18 2.13 0.00 0.08 -0.58 121.76 122.79 3kx8 s ALA 121 Ca 0.12 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 3kx8 s ALA 121 Cb -0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.33 3kx8 s ALA 121 CO 0.02 0.26 1.31 0.08 0.00 0.00 0.00 175.76 177.43 3kx8 s VAL 122 N 0.30 3.27 0.12 0.00 1.01 0.96 -1.47 120.40 124.59 3kx8 s VAL 122 Ca -0.13 1.03 0.07 0.00 0.00 0.00 0.00 61.98 62.94 3kx8 s VAL 122 Cb -0.16 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3kx8 s VAL 122 CO 0.06 0.14 -0.16 0.27 0.00 0.00 0.00 175.10 175.41 3kx8 s ILE 123 N 0.24 1.45 -0.40 2.22 -4.36 0.03 -4.94 121.20 115.43 3kx8 s ILE 123 Ca 0.57 -1.67 -0.24 0.00 -0.26 0.00 0.00 60.65 59.05 3kx8 s ILE 123 Cb -0.36 -1.53 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3kx8 s ILE 123 CO 0.37 -0.32 0.85 -2.28 0.24 0.00 0.00 174.94 173.81 3kx8 s HIS 124 N -1.85 3.04 0.20 1.37 5.65 -1.26 -0.40 115.29 122.04 3kx8 s HIS 124 Ca 0.08 0.51 -0.11 0.00 0.25 0.00 0.00 55.06 55.80 3kx8 s HIS 124 Cb -0.07 -3.64 0.15 0.00 -1.18 0.00 0.00 32.58 27.85 3kx8 s HIS 124 CO 0.04 -0.88 1.86 -0.07 -0.65 0.00 0.00 174.74 175.03 3kx8 h LEU 125 N 10.08 0.73 -0.07 8.88 3.38 -1.51 -0.89 115.31 135.91 3kx8 h LEU 125 Ca -0.24 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 3kx8 h LEU 125 Cb 1.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3kx8 h LEU 125 CO 0.96 0.52 -1.02 -0.33 0.09 0.00 0.00 178.44 178.67 3kx8 h GLU 126 N 0.87 0.12 -0.69 1.13 3.07 -1.93 -1.51 114.58 115.63 3kx8 h GLU 126 Ca 0.26 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3kx8 h GLU 126 Cb -0.04 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 3kx8 h GLU 126 CO -0.08 1.03 0.32 0.87 -1.40 0.00 0.00 179.01 179.75 3kx8 h LYS 127 N 0.04 0.99 -0.35 2.33 1.57 -1.87 -2.38 116.57 116.91 3kx8 h LYS 127 Ca -0.05 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 3kx8 h LYS 127 Cb 1.73 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 3kx8 h LYS 127 CO 0.15 0.79 -0.34 0.35 -0.57 0.00 0.00 179.45 179.83 3kx8 h PHE 128 N 0.96 1.02 -0.65 -1.35 3.57 -1.01 -2.39 116.94 117.08 3kx8 h PHE 128 Ca 0.23 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 3kx8 h PHE 128 Cb 0.13 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3kx8 h PHE 128 CO 0.01 1.10 0.27 -0.91 -2.23 0.00 0.00 178.31 176.55 3kx8 h ASN 129 N 0.64 0.87 -0.06 0.41 2.35 -1.25 -0.53 115.58 118.01 3kx8 h ASN 129 Ca 0.06 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3kx8 h ASN 129 Cb 0.93 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3kx8 h ASN 129 CO 0.09 0.76 -0.25 0.00 -1.65 0.00 0.00 177.43 176.38 3kx8 h ALA 130 N 1.36 1.11 -0.12 -0.83 0.00 -1.25 -1.38 119.26 118.14 3kx8 h ALA 130 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kx8 h ALA 130 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kx8 h ALA 130 CO -0.02 0.56 0.02 0.87 0.00 0.00 0.00 179.25 180.67 3kx8 h LYS 131 N 0.43 0.20 -0.93 0.00 1.79 -0.96 -2.96 116.57 114.15 3kx8 h LYS 131 Ca 0.06 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 3kx8 h LYS 131 Cb 0.66 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 3kx8 h LYS 131 CO 0.05 0.40 0.61 0.28 -1.08 0.00 0.00 179.45 179.70 3kx8 h VAL 132 N -0.02 1.13 -0.66 0.50 2.07 -0.78 -1.53 116.25 116.95 3kx8 h VAL 132 Ca 0.04 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3kx8 h VAL 132 Cb 0.29 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 3kx8 h VAL 132 CO 0.00 0.21 0.23 0.03 0.02 0.00 0.00 177.57 178.06 3kx8 h ARG 133 N 1.13 0.99 -0.05 1.57 3.08 -1.28 -2.41 114.38 117.40 3kx8 h ARG 133 Ca 0.38 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.26 3kx8 h ARG 133 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3kx8 h ARG 133 CO -0.13 0.83 0.34 1.96 -1.07 0.00 0.00 179.97 181.91 3kx8 h GLN 134 N 0.96 0.00 -0.01 0.04 4.20 -1.10 -1.30 115.11 117.91 3kx8 h GLN 134 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3kx8 h GLN 134 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kx8 h GLN 134 CO -0.01 0.00 0.00 0.36 -0.67 0.00 0.00 178.83 178.51 3kx8 n LYS 135 N -3.01 -0.39 -2.48 1.46 2.85 -0.97 -5.01 118.16 110.61 3kx8 n LYS 135 Ca -0.01 -0.69 -0.39 0.00 -1.05 0.00 0.00 58.31 56.17 3kx8 n LYS 135 Cb 0.41 -1.03 -0.04 0.00 -0.65 0.00 0.00 35.03 33.72 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 -0.22 3.52 -2.00 0.58 -4.23 -0.49 -5.12 115.64 107.68 3kx8 s THR 136 Ca 0.02 1.39 0.27 0.00 -1.18 0.00 0.00 61.69 62.19 3kx8 s THR 136 Cb 0.01 -3.83 0.78 0.00 1.34 0.00 0.00 72.50 70.80 3kx8 s THR 136 CO 0.02 0.23 1.98 -2.65 -0.54 0.00 0.00 174.62 173.65