#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s ARG 3 N 0.00 2.98 -1.18 0.54 3.52 -1.26 -5.02 118.95 118.53 2wh4 s ARG 3 Ca 0.00 -1.01 -0.14 0.00 -0.13 0.00 0.00 55.73 54.45 2wh4 s ARG 3 Cb 0.00 -3.94 0.17 0.00 -1.56 0.00 0.00 34.95 29.62 2wh4 s ARG 3 CO 0.00 -0.73 1.40 0.00 -0.81 0.00 0.00 175.30 175.16 2wh4 s ALA 4 N 1.67 3.99 0.85 6.12 0.00 -1.26 -5.01 121.76 128.12 2wh4 s ALA 4 Ca 0.05 -3.34 -0.10 0.00 0.00 0.00 0.00 51.96 48.56 2wh4 s ALA 4 Cb -0.19 -4.10 0.11 0.00 0.00 0.00 0.00 23.12 18.94 2wh4 s ALA 4 CO 0.10 -2.76 1.12 -1.59 0.00 0.00 0.00 175.76 172.62 2wh4 s LYS 5 N 1.54 1.58 0.07 0.00 -2.85 -1.26 -4.94 119.74 113.87 2wh4 s LYS 5 Ca 0.41 1.34 -0.26 0.00 -1.00 0.00 0.00 55.97 56.47 2wh4 s LYS 5 Cb -0.03 -1.81 -0.12 0.00 -2.06 0.00 0.00 37.83 33.81 2wh4 s LYS 5 CO -0.01 -2.17 1.40 1.15 0.10 0.00 0.00 175.35 175.82 2wh4 h THR 6 N -1.53 0.00 0.00 3.79 2.02 -2.05 -3.46 112.91 111.69 2wh4 h THR 6 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wh4 h THR 6 Cb 1.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2wh4 h THR 6 CO 0.47 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.97 2wh4 n GLY 7 N -1.38 2.56 0.41 2.16 0.00 -1.26 -3.84 105.19 103.84 2wh4 n GLY 7 Ca -0.08 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 2wh4 n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wh4 h VAL 8 N 0.00 0.00 0.00 1.61 2.07 -2.04 -3.40 116.25 114.49 2wh4 h VAL 8 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wh4 h VAL 8 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2wh4 h VAL 8 CO 0.00 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.11 2wh4 n VAL 9 N -4.82 0.00 -0.24 2.57 0.31 -1.25 -1.94 118.33 112.96 2wh4 n VAL 9 Ca -0.12 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.22 2wh4 n VAL 9 Cb 0.41 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.43 2wh4 n VAL 9 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wh4 h ARG 10 N 0.00 0.02 -0.68 5.55 2.43 -1.84 -0.92 114.38 118.94 2wh4 h ARG 10 Ca 0.00 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 2wh4 h ARG 10 Cb 0.00 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 2wh4 h ARG 10 CO 0.00 0.01 0.26 -0.09 -1.51 0.00 0.00 179.97 178.64 2wh4 h ARG 11 N 0.02 0.41 0.31 0.20 2.43 -1.65 -0.44 114.38 115.66 2wh4 h ARG 11 Ca 0.35 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2wh4 h ARG 11 Cb 0.55 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2wh4 h ARG 11 CO -0.70 0.27 -0.24 0.00 -1.51 0.00 0.00 179.97 177.79 2wh4 h ARG 12 N 0.43 -0.54 -0.91 0.20 3.08 -1.20 -0.03 114.38 115.41 2wh4 h ARG 12 Ca 0.36 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.68 2wh4 h ARG 12 Cb 0.49 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 2wh4 h ARG 12 CO -0.35 -0.36 0.63 0.87 -1.07 0.00 0.00 179.97 179.68 2wh4 h LYS 13 N -0.56 0.17 -0.01 0.04 1.79 -0.68 -0.83 116.57 116.49 2wh4 h LYS 13 Ca -0.02 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 2wh4 h LYS 13 Cb 0.49 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2wh4 h LYS 13 CO -0.01 0.11 -0.21 0.45 -1.08 0.00 0.00 179.45 178.72 2wh4 h HIS 14 N 0.18 0.24 -0.86 -1.35 3.86 -0.07 -3.24 115.15 113.91 2wh4 h HIS 14 Ca 0.45 -0.12 0.10 0.00 -1.16 0.00 0.00 60.37 59.64 2wh4 h HIS 14 Cb 1.50 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.87 2wh4 h HIS 14 CO -0.00 0.88 0.56 0.87 0.86 0.00 0.00 177.93 181.10 2wh4 h LYS 15 N -0.47 0.81 -0.35 2.45 1.57 0.34 -2.47 116.57 118.45 2wh4 h LYS 15 Ca -0.02 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2wh4 h LYS 15 Cb 0.93 -0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 2wh4 h LYS 15 CO 0.04 0.54 -0.46 0.87 -0.57 0.00 0.00 179.45 179.87 2wh4 h LYS 16 N 0.83 -0.37 0.87 3.15 1.57 -1.36 0.44 116.57 121.70 2wh4 h LYS 16 Ca 0.40 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.16 2wh4 h LYS 16 Cb 0.42 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.82 2wh4 h LYS 16 CO -0.16 -0.25 -0.42 0.82 -0.57 0.00 0.00 179.45 178.87 2wh4 h ILE 17 N -0.39 0.00 -1.30 1.86 1.08 -1.55 -2.76 117.51 114.45 2wh4 h ILE 17 Ca 0.11 -0.06 0.38 0.00 -0.39 0.00 0.00 64.86 64.89 2wh4 h ILE 17 Cb 0.60 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.30 2wh4 h ILE 17 CO -0.55 0.00 1.00 -0.07 -0.69 0.00 0.00 178.15 177.84 2wh4 h LEU 18 N -1.23 0.00 -0.88 1.44 3.38 -1.26 2.35 115.31 119.10 2wh4 h LEU 18 Ca -0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2wh4 h LEU 18 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2wh4 h LEU 18 CO 0.20 0.00 -0.28 0.11 0.09 0.00 0.00 178.44 178.55 2wh4 h LYS 19 N 0.00 0.00 0.00 1.13 1.57 -0.62 -2.92 116.57 115.73 2wh4 h LYS 19 Ca 0.62 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 59.12 2wh4 h LYS 19 Cb 2.61 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.87 2wh4 h LYS 19 CO -0.01 0.28 -1.62 -0.07 -0.57 0.00 0.00 179.45 177.47 2wh4 h LEU 20 N 0.00 0.00 0.00 2.94 -0.00 0.39 -3.30 115.31 115.35 2wh4 h LEU 20 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2wh4 h LEU 20 Cb 0.87 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2wh4 h LEU 20 CO 0.04 1.01 0.00 0.00 -0.00 0.00 0.00 178.44 179.48 2wh4 n ALA 21 N -2.53 2.18 -1.57 1.53 0.00 0.54 -4.85 120.51 115.81 2wh4 n ALA 21 Ca -0.15 -0.11 -0.53 0.00 0.00 0.00 0.00 53.44 52.65 2wh4 n ALA 21 Cb 1.04 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2wh4 n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh4 n LYS 22 N -1.02 0.91 0.00 0.00 4.76 -1.15 -2.28 118.16 119.37 2wh4 n LYS 22 Ca 0.14 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2wh4 n LYS 22 Cb 0.07 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 2wh4 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh4 n GLY 23 N 2.23 2.97 3.32 0.72 0.00 -1.26 -5.06 105.19 108.11 2wh4 n GLY 23 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2wh4 n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wh4 n TYR 24 N -0.14 -1.38 0.00 1.61 0.53 -0.96 -5.03 117.16 111.78 2wh4 n TYR 24 Ca 0.00 0.12 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 2wh4 n TYR 24 Cb 0.00 -1.61 0.00 0.00 -1.03 0.00 0.00 39.34 36.70 2wh4 n TYR 24 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 2wh4 n TRP 25 N -4.39 0.00 0.00 -0.72 -0.00 -1.26 -4.54 117.44 106.52 2wh4 n TRP 25 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 2wh4 n TRP 25 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.91 2wh4 n TRP 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2wh4 n GLY 26 N 1.06 0.88 0.00 5.87 0.00 -1.26 -4.56 105.19 107.18 2wh4 n GLY 26 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2wh4 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh4 n LEU 27 N 0.00 0.00 0.17 0.99 4.77 -1.26 -2.07 117.00 119.60 2wh4 n LEU 27 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2wh4 n LEU 27 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 2wh4 n LEU 27 CO 0.00 0.00 0.86 0.03 -1.33 0.00 0.00 177.39 176.95 2wh4 h ARG 28 N 0.00 0.00 0.00 3.23 3.08 -1.88 0.22 114.38 119.03 2wh4 h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh4 h ARG 28 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2wh4 h ARG 28 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2wh4 n SER 29 N -2.32 0.44 -0.06 7.04 3.41 -0.88 -3.57 113.62 117.68 2wh4 n SER 29 Ca -0.01 -1.08 -0.08 0.00 -0.26 0.00 0.00 58.87 57.45 2wh4 n SER 29 Cb 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 2wh4 n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wh4 n LYS 30 N -0.04 0.86 -2.63 4.33 4.76 -0.96 -4.80 118.16 119.69 2wh4 n LYS 30 Ca 0.00 0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 2wh4 n LYS 30 Cb 0.22 -1.25 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 2wh4 n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wh4 s SER 31 N -4.93 6.94 0.00 4.39 0.15 0.02 -4.89 113.70 115.39 2wh4 s SER 31 Ca -0.14 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2wh4 s SER 31 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2wh4 s SER 31 CO 0.31 -0.86 0.00 2.22 1.20 0.00 0.00 173.24 176.11 2wh4 n PHE 32 N 6.83 0.00 0.00 3.44 -1.74 -1.26 -1.03 117.46 123.70 2wh4 n PHE 32 Ca 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 2wh4 n PHE 32 Cb 0.47 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.47 2wh4 n PHE 32 CO 0.00 0.00 0.00 2.89 -0.56 0.00 0.00 176.76 179.09 2wh4 n ARG 33 N -0.20 0.00 -0.10 3.97 1.85 -1.26 -4.52 116.66 116.39 2wh4 n ARG 33 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2wh4 n ARG 33 Cb 0.00 -0.33 0.24 0.00 -1.05 0.00 0.00 32.46 31.32 2wh4 n ARG 33 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2wh4 h LYS 34 N 0.00 0.76 0.21 2.89 1.79 -1.66 -1.42 116.57 119.14 2wh4 h LYS 34 Ca 0.00 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2wh4 h LYS 34 Cb 0.00 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 2wh4 h LYS 34 CO 0.00 0.65 -0.28 0.00 -1.08 0.00 0.00 179.45 178.74 2wh4 h ALA 35 N 1.45 -0.53 -0.46 3.86 0.00 -1.13 -1.72 119.26 120.71 2wh4 h ALA 35 Ca 0.18 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2wh4 h ALA 35 Cb 0.20 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2wh4 h ALA 35 CO -0.01 -0.84 -0.34 -0.09 0.00 0.00 0.00 179.25 177.96 2wh4 h ARG 36 N -0.55 -0.22 -0.39 0.00 2.43 -1.51 -1.44 114.38 112.69 2wh4 h ARG 36 Ca 0.01 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2wh4 h ARG 36 Cb 0.53 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 2wh4 h ARG 36 CO -0.11 -0.15 -0.18 0.93 -1.51 0.00 0.00 179.97 178.95 2wh4 h GLU 37 N -0.23 -0.10 -0.91 0.20 5.08 -1.02 -1.19 114.58 116.40 2wh4 h GLU 37 Ca 0.19 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.67 2wh4 h GLU 37 Cb 0.55 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 2wh4 h GLU 37 CO -0.59 -0.07 0.54 1.15 -1.00 0.00 0.00 179.01 179.04 2wh4 h THR 38 N -0.11 0.87 -0.04 1.13 2.02 -0.37 -1.42 112.91 115.00 2wh4 h THR 38 Ca 0.19 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2wh4 h THR 38 Cb 0.41 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2wh4 h THR 38 CO -0.46 0.15 -0.13 -0.07 0.37 0.00 0.00 175.52 175.38 2wh4 h LEU 39 N 0.85 0.06 0.78 2.58 3.38 -0.47 -0.99 115.31 121.50 2wh4 h LEU 39 Ca 0.46 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 2wh4 h LEU 39 Cb 0.49 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wh4 h LEU 39 CO -0.28 0.20 -0.45 -0.26 0.09 0.00 0.00 178.44 177.74 2wh4 h PHE 40 N 0.06 -1.18 0.17 1.13 0.05 -0.92 0.75 116.94 117.00 2wh4 h PHE 40 Ca 0.01 -0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.80 2wh4 h PHE 40 Cb 0.27 0.41 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 2wh4 h PHE 40 CO 0.00 -0.69 -0.21 0.00 -0.18 0.00 0.00 178.31 177.24 2wh4 h ALA 41 N -1.00 -0.39 -0.82 2.45 0.00 -1.53 -1.05 119.26 116.92 2wh4 h ALA 41 Ca -0.10 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.93 2wh4 h ALA 41 Cb 0.91 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 2wh4 h ALA 41 CO 0.13 -0.75 -0.13 0.00 0.00 0.00 0.00 179.25 178.49 2wh4 h ALA 42 N 0.34 0.66 0.24 0.00 0.00 -0.99 0.83 119.26 120.32 2wh4 h ALA 42 Ca 0.01 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2wh4 h ALA 42 Cb 0.42 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2wh4 h ALA 42 CO -0.08 -0.42 -0.37 0.78 0.00 0.00 0.00 179.25 179.16 2wh4 h GLY 43 N 0.02 -0.79 1.01 0.00 0.00 0.17 -1.70 103.07 101.78 2wh4 h GLY 43 Ca 0.42 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 48.16 2wh4 h GLY 43 CO -0.80 -0.28 0.39 3.43 0.00 0.00 0.00 176.54 179.28 2wh4 h ASN 44 N -0.67 0.92 0.07 0.19 2.35 0.37 -2.05 115.58 116.75 2wh4 h ASN 44 Ca 0.00 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2wh4 h ASN 44 Cb 0.65 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 2wh4 h ASN 44 CO -0.14 0.75 -0.33 1.88 -1.65 0.00 0.00 177.43 177.94 2wh4 h TYR 45 N 1.01 -0.91 -0.14 1.19 0.99 0.85 0.21 116.97 120.16 2wh4 h TYR 45 Ca 0.26 0.03 0.01 0.00 2.00 0.00 0.00 58.73 61.02 2wh4 h TYR 45 Cb 0.05 0.39 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 2wh4 h TYR 45 CO -0.00 -0.43 0.09 0.00 -0.00 0.00 0.00 178.16 177.82 2wh4 h ALA 46 N 0.14 1.96 0.05 3.88 0.00 -1.19 0.99 119.26 125.10 2wh4 h ALA 46 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wh4 h ALA 46 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2wh4 h ALA 46 CO -0.23 0.02 -0.02 -0.92 0.00 0.00 0.00 179.25 178.09 2wh4 h TYR 47 N 0.13 -0.06 0.08 0.00 3.20 -0.54 -1.00 116.97 118.77 2wh4 h TYR 47 Ca 0.05 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2wh4 h TYR 47 Cb 0.06 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2wh4 h TYR 47 CO -0.00 0.39 -0.04 0.00 -1.64 0.00 0.00 178.16 176.87 2wh4 h ALA 48 N 0.36 -0.10 -0.01 1.82 0.00 -0.53 -2.85 119.26 117.94 2wh4 h ALA 48 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wh4 h ALA 48 Cb 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wh4 h ALA 48 CO 0.01 -0.37 0.04 0.45 0.00 0.00 0.00 179.25 179.39 2wh4 h HIS 49 N -0.48 0.00 0.25 0.00 3.86 0.92 0.16 115.15 119.86 2wh4 h HIS 49 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2wh4 h HIS 49 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2wh4 h HIS 49 CO 0.05 0.00 -0.12 -0.09 0.86 0.00 0.00 177.93 178.63 2wh4 h ARG 50 N 0.00 -0.32 -0.01 2.45 2.43 -0.98 -1.20 114.38 116.76 2wh4 h ARG 50 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2wh4 h ARG 50 Cb 0.09 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2wh4 h ARG 50 CO -0.00 0.03 0.08 0.87 -1.51 0.00 0.00 179.97 179.44 2wh4 h LYS 51 N -0.92 0.00 0.40 0.20 1.57 -0.90 -2.35 116.57 114.57 2wh4 h LYS 51 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2wh4 h LYS 51 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wh4 h LYS 51 CO 0.06 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.74 2wh4 h ARG 52 N 0.00 -0.51 -0.88 3.15 2.47 -0.43 -3.34 114.38 114.84 2wh4 h ARG 52 Ca 0.00 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 58.97 2wh4 h ARG 52 Cb 0.17 0.12 -0.16 0.00 -1.65 0.00 0.00 29.97 28.44 2wh4 h ARG 52 CO -0.00 -0.34 -0.08 -2.13 0.56 0.00 0.00 179.97 177.98 2wh4 n ARG 53 N -4.96 -0.07 -0.30 0.04 0.63 -0.48 0.51 116.66 112.03 2wh4 n ARG 53 Ca -0.07 1.33 0.11 0.00 -0.92 0.00 0.00 57.85 58.31 2wh4 n ARG 53 Cb 0.21 -2.07 0.24 0.00 0.45 0.00 0.00 32.46 31.30 2wh4 n ARG 53 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2wh4 h LYS 54 N 0.00 0.08 -0.01 -0.14 1.79 -1.68 0.87 116.57 117.48 2wh4 h LYS 54 Ca 0.49 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 2wh4 h LYS 54 Cb 0.91 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2wh4 h LYS 54 CO -0.85 0.05 -0.28 2.89 -1.08 0.00 0.00 179.45 180.18 2wh4 n ARG 55 N -5.39 0.94 0.17 3.15 1.85 0.18 -2.42 116.66 115.14 2wh4 n ARG 55 Ca 0.19 -0.60 0.08 0.00 -1.00 0.00 0.00 57.85 56.53 2wh4 n ARG 55 Cb 0.64 -1.49 0.09 0.00 -1.05 0.00 0.00 32.46 30.66 2wh4 n ARG 55 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wh4 h ASP 56 N 1.45 0.00 0.05 2.89 3.32 -0.12 -3.18 116.42 120.84 2wh4 h ASP 56 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 2wh4 h ASP 56 Cb 0.55 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 2wh4 h ASP 56 CO 0.00 0.21 -2.25 0.49 -1.72 0.00 0.00 179.24 175.98 2wh4 n PHE 57 N -3.10 0.53 -0.42 4.55 0.99 -0.98 -2.30 117.46 116.73 2wh4 n PHE 57 Ca 0.02 0.12 0.37 0.00 -0.00 0.00 0.00 57.45 57.97 2wh4 n PHE 57 Cb 0.62 -1.07 0.64 0.00 -1.00 0.00 0.00 39.48 38.67 2wh4 n PHE 57 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2wh4 n ARG 58 N -3.45 -0.04 0.01 -1.08 1.74 -1.02 -1.26 116.66 111.56 2wh4 n ARG 58 Ca -0.40 1.26 -0.01 0.00 -0.77 0.00 0.00 57.85 57.93 2wh4 n ARG 58 Cb 0.99 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2wh4 n ARG 58 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2wh4 h ARG 59 N 0.00 -0.05 -0.85 5.56 2.43 -1.65 -3.17 114.38 116.66 2wh4 h ARG 59 Ca 0.85 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 60.36 2wh4 h ARG 59 Cb 2.61 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 32.02 2wh4 h ARG 59 CO -0.54 -0.03 0.36 -0.11 -1.51 0.00 0.00 179.97 178.14 2wh4 n LEU 60 N -2.87 0.21 0.12 3.80 -0.00 -0.44 -0.03 117.00 117.79 2wh4 n LEU 60 Ca -0.01 1.41 -0.05 0.00 -0.00 0.00 0.00 56.01 57.36 2wh4 n LEU 60 Cb 0.02 -0.65 -0.02 0.00 -0.00 0.00 0.00 43.42 42.77 2wh4 n LEU 60 CO 0.01 -1.55 0.43 -0.50 -0.00 0.00 0.00 177.39 175.78 2wh4 h TRP 61 N 0.00 -0.30 -0.53 1.96 6.55 -1.33 -2.82 115.95 119.49 2wh4 h TRP 61 Ca 0.67 -0.01 0.08 0.00 0.95 0.00 0.00 58.89 60.58 2wh4 h TRP 61 Cb 1.72 0.10 -0.08 0.00 -0.86 0.00 0.00 29.16 30.04 2wh4 h TRP 61 CO -0.10 -0.19 -0.22 -0.89 -1.05 0.00 0.00 178.44 176.00 2wh4 n ILE 62 N -2.99 -0.29 0.10 1.49 2.08 0.95 0.13 119.36 120.83 2wh4 n ILE 62 Ca -0.04 1.24 -0.13 0.00 0.56 0.00 0.00 62.75 64.38 2wh4 n ILE 62 Cb 0.13 -1.62 -0.06 0.00 -0.75 0.00 0.00 39.64 37.34 2wh4 n ILE 62 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2wh4 h VAL 63 N 0.00 0.34 0.07 1.39 2.07 -1.43 0.17 116.25 118.87 2wh4 h VAL 63 Ca 0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 2wh4 h VAL 63 Cb 0.30 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2wh4 h VAL 63 CO -0.52 0.00 -0.42 0.03 0.02 0.00 0.00 177.57 176.68 2wh4 h ARG 64 N -0.50 -0.60 0.00 1.57 -0.00 0.13 0.14 114.38 115.12 2wh4 h ARG 64 Ca 0.04 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2wh4 h ARG 64 Cb 0.55 0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.65 2wh4 h ARG 64 CO -0.20 -0.40 0.00 -0.89 0.00 0.00 0.00 179.97 178.48 2wh4 n ILE 65 N -5.46 0.00 -0.22 2.04 5.41 0.27 -1.06 119.36 120.34 2wh4 n ILE 65 Ca -0.07 1.43 -0.06 0.00 1.00 0.00 0.00 62.75 65.06 2wh4 n ILE 65 Cb 0.37 -2.07 -0.05 0.00 -0.71 0.00 0.00 39.64 37.18 2wh4 n ILE 65 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2wh4 n ASN 66 N -2.48 -0.56 -0.22 4.38 5.15 0.57 -0.56 115.26 121.54 2wh4 n ASN 66 Ca 0.00 1.21 -0.00 0.00 -0.60 0.00 0.00 54.58 55.19 2wh4 n ASN 66 Cb 0.00 -0.26 0.07 0.00 -0.53 0.00 0.00 39.78 39.06 2wh4 n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wh4 h ALA 67 N -0.01 0.45 -0.31 5.20 0.00 -0.65 0.86 119.26 124.80 2wh4 h ALA 67 Ca 0.08 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2wh4 h ALA 67 Cb 0.22 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2wh4 h ALA 67 CO -0.50 -0.42 0.10 0.00 0.00 0.00 0.00 179.25 178.43 2wh4 h ALA 68 N 1.65 0.41 -0.00 0.00 0.00 0.79 -2.93 119.26 119.18 2wh4 h ALA 68 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wh4 h ALA 68 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wh4 h ALA 68 CO -0.67 0.04 -0.20 0.00 0.00 0.00 0.00 179.25 178.43 2wh4 h ARG 70 N 0.48 0.00 -0.50 0.00 2.43 0.90 -2.58 114.38 115.10 2wh4 h ARG 70 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wh4 h ARG 70 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wh4 h ARG 70 CO 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.51 2wh4 n GLN 71 N -3.13 2.17 -0.63 0.20 10.64 -1.09 -3.68 117.38 121.86 2wh4 n GLN 71 Ca 0.02 -1.81 0.06 0.00 -1.83 0.00 0.00 57.00 53.44 2wh4 n GLN 71 Cb 0.44 -1.39 0.20 0.00 -0.86 0.00 0.00 30.24 28.62 2wh4 n GLN 71 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2wh4 n HIS 72 N 0.98 0.00 0.00 2.61 8.25 -0.97 -5.01 115.22 121.07 2wh4 n HIS 72 Ca 0.17 -1.43 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 2wh4 n HIS 72 Cb 0.42 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2wh4 n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 73 N -1.04 1.96 2.69 -1.41 0.00 -1.24 -5.02 105.19 101.12 2wh4 n GLY 73 Ca 0.18 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2wh4 n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2wh4 n LEU 74 N 0.00 0.00 -4.78 0.99 -0.00 -1.24 -4.92 117.00 107.06 2wh4 n LEU 74 Ca 0.00 -1.04 -0.28 0.00 -0.00 0.00 0.00 56.01 54.70 2wh4 n LEU 74 Cb 0.00 -0.70 -0.06 0.00 -0.00 0.00 0.00 43.42 42.66 2wh4 n LEU 74 CO 0.00 -1.15 -0.14 0.54 -0.00 0.00 0.00 177.39 176.64 2wh4 s ASN 75 N -4.37 4.34 0.07 1.45 4.22 -1.26 -2.97 114.94 116.42 2wh4 s ASN 75 Ca 0.52 -1.32 -0.36 0.00 -2.14 0.00 0.00 52.86 49.55 2wh4 s ASN 75 Cb -0.01 0.07 -0.19 0.00 1.28 0.00 0.00 41.25 42.39 2wh4 s ASN 75 CO 0.37 -0.78 1.56 0.22 -2.04 0.00 0.00 177.10 176.43 2wh4 h TYR 76 N 1.26 -1.34 -0.95 1.54 3.20 -1.90 -1.89 116.97 116.88 2wh4 h TYR 76 Ca -0.42 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 61.59 2wh4 h TYR 76 Cb 1.28 0.49 -0.15 0.00 1.54 0.00 0.00 36.73 39.90 2wh4 h TYR 76 CO 1.00 -0.72 -0.39 0.43 -1.64 0.00 0.00 178.16 176.84 2wh4 n SER 77 N -5.57 -0.66 0.34 -2.11 7.64 -1.26 -1.44 113.62 110.56 2wh4 n SER 77 Ca -0.14 1.67 -0.13 0.00 1.01 0.00 0.00 58.87 61.28 2wh4 n SER 77 Cb 0.49 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2wh4 n SER 77 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2wh4 h THR 78 N 0.00 0.00 0.00 0.44 2.02 -1.96 -2.98 112.91 110.42 2wh4 h THR 78 Ca 0.32 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2wh4 h THR 78 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2wh4 h THR 78 CO -0.94 0.00 0.00 0.33 0.37 0.00 0.00 175.52 175.28 2wh4 n PHE 79 N -4.35 0.00 -0.36 3.16 -0.00 -0.64 0.52 117.46 115.80 2wh4 n PHE 79 Ca -0.11 0.00 0.31 0.00 -0.00 0.00 0.00 57.45 57.66 2wh4 n PHE 79 Cb 0.34 -0.24 0.58 0.00 -0.00 0.00 0.00 39.48 40.15 2wh4 n PHE 79 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2wh4 h ILE 80 N 0.00 0.12 0.10 -2.13 1.08 -1.35 0.50 117.51 115.83 2wh4 h ILE 80 Ca 0.00 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2wh4 h ILE 80 Cb 0.00 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.74 2wh4 h ILE 80 CO 0.00 0.02 -0.05 -0.74 -0.69 0.00 0.00 178.15 176.69 2wh4 h HIS 81 N 0.11 -0.13 -0.40 1.37 2.76 0.24 0.38 115.15 119.49 2wh4 h HIS 81 Ca 0.81 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.99 2wh4 h HIS 81 Cb 2.20 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 31.18 2wh4 h HIS 81 CO -0.01 0.38 0.24 0.78 -1.30 0.00 0.00 177.93 178.02 2wh4 h GLY 82 N -0.77 0.56 -0.01 5.26 0.00 0.94 3.34 103.07 112.39 2wh4 h GLY 82 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.20 2wh4 h GLY 82 CO 0.02 0.16 -0.33 -2.00 0.00 0.00 0.00 176.54 174.39 2wh4 h LEU 83 N 0.48 -1.07 0.24 3.11 5.85 -0.12 -0.74 115.31 123.06 2wh4 h LEU 83 Ca 0.16 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2wh4 h LEU 83 Cb 0.00 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wh4 h LEU 83 CO -0.07 -0.35 -0.12 0.50 -0.34 0.00 0.00 178.44 178.07 2wh4 h LYS 84 N -0.34 -0.31 -1.06 1.25 1.63 0.13 -2.36 116.57 115.51 2wh4 h LYS 84 Ca 0.13 0.02 0.34 0.00 -0.85 0.00 0.00 60.65 60.29 2wh4 h LYS 84 Cb 0.55 0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 32.11 2wh4 h LYS 84 CO -0.44 -0.06 0.63 -0.22 -3.45 0.00 0.00 179.45 175.90 2wh4 h LYS 85 N -0.53 0.26 0.00 1.90 1.63 0.65 -2.18 116.57 118.30 2wh4 h LYS 85 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2wh4 h LYS 85 Cb 0.39 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2wh4 h LYS 85 CO 0.05 0.17 0.00 0.00 -3.45 0.00 0.00 179.45 176.23 2wh4 n ALA 86 N -2.34 0.00 0.00 5.00 0.00 -0.31 -5.05 120.51 117.80 2wh4 n ALA 86 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2wh4 n ALA 86 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2wh4 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 87 N 1.01 -0.24 2.76 0.00 0.00 -0.82 -5.11 105.19 102.80 2wh4 n GLY 87 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2wh4 n GLY 87 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wh4 s ILE 88 N 0.00 -0.39 -1.73 -0.61 -4.36 -1.26 -4.98 121.20 107.86 2wh4 s ILE 88 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 2wh4 s ILE 88 Cb 0.00 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.82 2wh4 s ILE 88 CO 0.00 -0.38 0.56 -0.62 0.24 0.00 0.00 174.94 174.74 2wh4 n GLU 89 N 5.32 0.00 -0.38 0.37 -0.58 -1.26 -4.69 120.64 119.41 2wh4 n GLU 89 Ca -0.03 0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.67 2wh4 n GLU 89 Cb 0.47 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.96 2wh4 n GLU 89 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wh4 n VAL 90 N -1.06 0.00 0.00 2.62 0.31 -1.26 -3.04 118.33 115.90 2wh4 n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh4 n VAL 90 Cb 0.00 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2wh4 n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wh4 n ASP 91 N -1.52 0.00 -3.53 4.52 4.64 -1.26 -4.52 116.55 114.88 2wh4 n ASP 91 Ca 0.06 0.00 -0.27 0.00 -1.38 0.00 0.00 54.79 53.20 2wh4 n ASP 91 Cb 0.24 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.34 2wh4 n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wh4 n ARG 92 N 0.00 -1.50 0.00 -0.67 0.63 -1.17 0.11 116.66 114.06 2wh4 n ARG 92 Ca 0.00 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2wh4 n ARG 92 Cb 0.00 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.00 2wh4 n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wh4 n LYS 93 N -1.65 0.00 -0.32 -0.14 4.01 -1.26 -0.45 118.16 118.35 2wh4 n LYS 93 Ca -0.22 0.00 0.20 0.00 -0.51 0.00 0.00 58.31 57.78 2wh4 n LYS 93 Cb 0.62 0.00 0.40 0.00 -0.51 0.00 0.00 35.03 35.55 2wh4 n LYS 93 CO 0.00 0.00 0.00 -0.97 -1.11 0.00 0.00 177.40 175.32 2wh4 h ASN 94 N 0.00 0.17 -0.04 4.39 -1.24 -1.94 0.22 115.58 117.14 2wh4 h ASN 94 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2wh4 h ASN 94 Cb 0.00 0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2wh4 h ASN 94 CO 0.00 -0.22 0.00 0.18 -1.29 0.00 0.00 177.43 176.10 2wh4 n LEU 95 N -5.21 0.42 -2.91 0.34 4.77 0.31 -3.79 117.00 110.93 2wh4 n LEU 95 Ca 0.28 -0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 2wh4 n LEU 95 Cb 0.89 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.92 2wh4 n LEU 95 CO 0.05 0.09 1.89 0.00 -1.33 0.00 0.00 177.39 178.08 2wh4 n ALA 96 N -0.50 6.58 0.54 -1.18 0.00 0.79 -2.37 120.51 124.37 2wh4 n ALA 96 Ca 0.14 -3.51 0.08 0.00 0.00 0.00 0.00 53.44 50.15 2wh4 n ALA 96 Cb 0.13 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.09 2wh4 n ALA 96 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh4 n ASP 97 N 1.14 0.89 -0.16 0.00 5.75 -1.25 -3.81 116.55 119.11 2wh4 n ASP 97 Ca 0.54 -0.63 0.12 0.00 -0.01 0.00 0.00 54.79 54.81 2wh4 n ASP 97 Cb 0.42 1.22 0.45 0.00 -1.03 0.00 0.00 41.12 42.18 2wh4 n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2wh4 h LEU 98 N 0.00 0.49 -2.03 -2.12 3.38 -1.57 1.10 115.31 114.55 2wh4 h LEU 98 Ca 0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2wh4 h LEU 98 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2wh4 h LEU 98 CO 0.00 0.28 0.38 0.00 0.09 0.00 0.00 178.44 179.19 2wh4 h ALA 99 N 1.64 1.95 0.00 1.53 0.00 -1.83 -2.90 119.26 119.66 2wh4 h ALA 99 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2wh4 h ALA 99 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wh4 h ALA 99 CO -0.12 -0.54 -0.48 0.28 0.00 0.00 0.00 179.25 178.39 2wh4 n VAL 100 N -3.63 0.82 -3.09 0.00 0.31 0.35 -4.56 118.33 108.54 2wh4 n VAL 100 Ca 0.05 0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 64.27 2wh4 n VAL 100 Cb 0.53 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 2wh4 n VAL 100 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wh4 s ARG 101 N -2.00 4.25 -0.35 5.55 0.52 0.42 -4.16 118.95 123.18 2wh4 s ARG 101 Ca -0.14 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.75 2wh4 s ARG 101 Cb 0.02 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 2wh4 s ARG 101 CO 0.21 -0.21 0.29 0.39 0.02 0.00 0.00 175.30 176.00 2wh4 n GLU 102 N 4.92 -1.49 0.28 3.54 -0.58 -1.24 -3.84 120.64 122.23 2wh4 n GLU 102 Ca -0.01 0.26 0.15 0.00 -0.42 0.00 0.00 57.16 57.14 2wh4 n GLU 102 Cb 0.50 -3.24 0.80 0.00 -0.57 0.00 0.00 31.44 28.92 2wh4 n GLU 102 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2wh4 h PRO 103 N -0.48 0.00 -0.86 3.49 0.13 -1.67 -2.50 132.00 130.11 2wh4 h PRO 103 Ca -0.18 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.04 2wh4 h PRO 103 Cb 1.10 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.17 2wh4 h PRO 103 CO 0.14 0.08 0.56 1.96 -0.23 0.00 0.00 178.00 180.52 2wh4 h GLN 104 N 0.00 0.82 0.07 0.86 7.50 -1.93 0.29 115.11 122.72 2wh4 h GLN 104 Ca -0.00 -0.05 -0.20 0.00 0.50 0.00 0.00 58.65 58.90 2wh4 h GLN 104 Cb 0.29 -0.19 0.02 0.00 0.05 0.00 0.00 27.48 27.65 2wh4 h GLN 104 CO 0.01 0.54 -0.82 0.28 -1.50 0.00 0.00 178.83 177.35 2wh4 h VAL 105 N 0.85 1.42 -0.29 -0.54 2.07 -1.79 -2.15 116.25 115.82 2wh4 h VAL 105 Ca 0.40 -2.30 0.06 0.00 0.82 0.00 0.00 66.70 65.68 2wh4 h VAL 105 Cb 0.40 2.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.90 2wh4 h VAL 105 CO -0.16 0.67 -0.09 0.15 0.02 0.00 0.00 177.57 178.16 2wh4 h PHE 106 N -0.08 -0.21 -0.35 1.57 3.57 -1.27 0.16 116.94 120.33 2wh4 h PHE 106 Ca -0.12 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.48 2wh4 h PHE 106 Cb 1.56 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 40.36 2wh4 h PHE 106 CO 0.15 -0.15 -0.12 0.00 -2.23 0.00 0.00 178.31 175.96 2wh4 h ALA 107 N 1.24 0.17 -0.12 2.41 0.00 -0.49 0.57 119.26 123.04 2wh4 h ALA 107 Ca 0.14 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2wh4 h ALA 107 Cb 0.25 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2wh4 h ALA 107 CO -0.32 -0.50 -0.31 0.93 0.00 0.00 0.00 179.25 179.06 2wh4 h GLU 108 N -0.05 -0.29 -0.97 0.00 4.39 -0.45 -1.14 114.58 116.08 2wh4 h GLU 108 Ca 0.17 0.02 0.16 0.00 0.34 0.00 0.00 59.36 60.06 2wh4 h GLU 108 Cb 0.31 0.06 -0.17 0.00 -0.10 0.00 0.00 28.75 28.86 2wh4 h GLU 108 CO -0.39 -0.19 -0.33 1.28 -1.16 0.00 0.00 179.01 178.22 2wh4 n LEU 109 N -4.18 -0.54 -0.14 1.33 4.77 0.40 -1.33 117.00 117.32 2wh4 n LEU 109 Ca -0.03 1.68 -0.09 0.00 -0.03 0.00 0.00 56.01 57.54 2wh4 n LEU 109 Cb 0.21 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 2wh4 n LEU 109 CO 0.03 -1.54 0.50 0.58 -1.33 0.00 0.00 177.39 175.63 2wh4 h VAL 110 N 0.00 0.00 -0.05 4.08 2.07 0.33 0.20 116.25 122.88 2wh4 h VAL 110 Ca 0.38 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.92 2wh4 h VAL 110 Cb 0.62 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2wh4 h VAL 110 CO -0.97 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 175.87 2wh4 h GLU 111 N -0.22 -0.47 -1.51 1.57 4.39 -0.76 0.48 114.58 118.07 2wh4 h GLU 111 Ca 0.06 0.03 0.44 0.00 0.34 0.00 0.00 59.36 60.23 2wh4 h GLU 111 Cb 0.39 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2wh4 h GLU 111 CO -0.47 -0.31 1.24 0.00 -1.16 0.00 0.00 179.01 178.30 2wh4 h ARG 112 N -0.49 0.00 0.00 2.33 2.47 -0.71 0.44 114.38 118.42 2wh4 h ARG 112 Ca 0.02 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2wh4 h ARG 112 Cb 0.54 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2wh4 h ARG 112 CO -0.30 0.00 -0.37 0.00 0.56 0.00 0.00 179.97 179.86 2wh4 h ALA 113 N 0.95 0.03 0.00 0.04 0.00 0.28 -3.33 119.26 117.23 2wh4 h ALA 113 Ca 0.72 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wh4 h ALA 113 Cb 3.18 0.31 0.00 0.00 0.00 0.00 0.00 17.79 21.28 2wh4 h ALA 113 CO -0.01 0.30 0.00 0.36 0.00 0.00 0.00 179.25 179.90 2wh4 n LYS 114 N -4.65 0.31 -0.02 0.00 2.85 0.11 -0.60 118.16 116.16 2wh4 n LYS 114 Ca -0.08 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.13 2wh4 n LYS 114 Cb 0.24 -1.25 -0.12 0.00 -0.65 0.00 0.00 35.03 33.25 2wh4 n LYS 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wh4 n ALA 115 N -0.75 1.71 -1.30 0.58 0.00 0.12 -3.93 120.51 116.94 2wh4 n ALA 115 Ca 0.04 -0.78 -0.32 0.00 0.00 0.00 0.00 53.44 52.37 2wh4 n ALA 115 Cb 0.02 -0.77 0.07 0.00 0.00 0.00 0.00 19.45 18.77 2wh4 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 116 N -2.52 6.18 0.09 0.00 0.00 0.23 -4.01 120.51 120.48 2wh4 n ALA 116 Ca -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 53.44 50.04 2wh4 n ALA 116 Cb 0.97 -1.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 2wh4 n ALA 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wh4 n GLN 117 N -0.69 2.99 -0.02 0.00 1.13 -1.25 -4.79 117.38 114.75 2wh4 n GLN 117 Ca 0.57 -0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2wh4 n GLN 117 Cb 0.62 -0.80 0.00 0.00 0.11 0.00 0.00 30.24 30.17 2wh4 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03