#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd5 h ILE 5 N 0.00 1.04 -0.84 2.46 1.08 -2.05 -2.24 117.51 116.96 2dd5 h ILE 5 Ca 0.00 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 2dd5 h ILE 5 Cb 0.00 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2dd5 h ILE 5 CO 0.00 0.07 0.55 0.03 -0.69 0.00 0.00 178.15 178.12 2dd5 h ARG 6 N -0.20 1.01 -0.61 2.37 2.47 -2.05 0.56 114.38 117.92 2dd5 h ARG 6 Ca -0.01 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.61 2dd5 h ARG 6 Cb 0.18 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 2dd5 h ARG 6 CO 0.01 0.67 0.22 0.93 0.56 0.00 0.00 179.97 182.36 2dd5 h GLU 7 N 1.04 0.94 -0.31 0.04 5.08 -1.96 -0.78 114.58 118.62 2dd5 h GLU 7 Ca 0.33 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2dd5 h GLU 7 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2dd5 h GLU 7 CO -0.10 0.81 -0.21 1.49 -1.00 0.00 0.00 179.01 180.01 2dd5 h GLU 8 N 0.87 0.59 0.19 2.33 4.81 -0.71 -0.62 114.58 122.04 2dd5 h GLU 8 Ca 0.20 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2dd5 h GLU 8 Cb 0.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2dd5 h GLU 8 CO -0.01 0.76 -0.09 0.28 -0.73 0.00 0.00 179.01 179.22 2dd5 h VAL 9 N 0.52 0.85 -0.14 0.32 2.07 -0.36 0.54 116.25 120.05 2dd5 h VAL 9 Ca 0.08 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2dd5 h VAL 9 Cb 0.65 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2dd5 h VAL 9 CO 0.05 0.03 -0.25 0.45 0.02 0.00 0.00 177.57 177.86 2dd5 h HIS 10 N -0.32 0.27 -0.46 1.57 3.86 -1.02 -1.19 115.15 117.85 2dd5 h HIS 10 Ca -0.03 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 2dd5 h HIS 10 Cb 0.25 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 2dd5 h HIS 10 CO -0.05 0.49 -0.17 -0.09 0.86 0.00 0.00 177.93 178.97 2dd5 h ARG 11 N 0.22 0.89 -0.13 2.45 2.43 -0.88 -2.58 114.38 116.77 2dd5 h ARG 11 Ca 0.04 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2dd5 h ARG 11 Cb 0.57 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2dd5 h ARG 11 CO 0.04 0.99 0.06 1.25 -1.51 0.00 0.00 179.97 180.79 2dd5 h HIS 12 N 0.78 0.20 -0.67 2.20 2.76 -0.22 -1.00 115.15 119.20 2dd5 h HIS 12 Ca 0.12 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2dd5 h HIS 12 Cb 0.70 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 2dd5 h HIS 12 CO 0.04 0.28 0.44 -0.07 -1.30 0.00 0.00 177.93 177.32 2dd5 h LEU 13 N 0.07 0.62 -0.02 0.26 3.38 -1.13 -1.50 115.31 116.99 2dd5 h LEU 13 Ca 0.04 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.76 2dd5 h LEU 13 Cb 0.16 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dd5 h LEU 13 CO -0.00 0.41 -1.10 1.23 0.09 0.00 0.00 178.44 179.06 2dd5 h GLY 14 N 0.71 0.45 0.87 0.83 0.00 -1.24 -3.35 103.07 101.34 2dd5 h GLY 14 Ca 0.28 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 2dd5 h GLY 14 CO -0.09 0.82 -0.00 -0.84 0.00 0.00 0.00 176.54 176.43 2dd5 h THR 15 N 0.18 1.26 -0.01 4.70 2.02 -0.58 -2.92 112.91 117.57 2dd5 h THR 15 Ca -0.12 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.14 2dd5 h THR 15 Cb 1.78 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2dd5 h THR 15 CO 0.19 0.29 0.09 -0.37 0.37 0.00 0.00 175.52 176.10 2dd5 h VAL 16 N 0.26 0.03 -0.15 3.16 -1.51 -1.42 0.15 116.25 116.77 2dd5 h VAL 16 Ca 0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.50 2dd5 h VAL 16 Cb 0.42 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 2dd5 h VAL 16 CO 0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.24 2dd5 h ALA 17 N 1.82 1.52 0.00 5.19 0.00 -1.64 -1.39 119.26 124.76 2dd5 h ALA 17 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2dd5 h ALA 17 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dd5 h ALA 17 CO -0.00 0.34 -0.19 -0.07 0.00 0.00 0.00 179.25 179.33 2dd5 h LEU 18 N 0.23 0.00 -2.10 0.00 3.38 -0.83 -2.58 115.31 113.40 2dd5 h LEU 18 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dd5 h LEU 18 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dd5 h LEU 18 CO 0.02 0.19 0.00 0.23 0.09 0.00 0.00 178.44 178.97 2dd5 n MET 19 N -3.81 2.32 -1.66 1.13 2.81 -0.54 -4.94 117.12 112.44 2dd5 n MET 19 Ca -0.02 -2.06 -0.44 0.00 -1.81 0.00 0.00 57.70 53.37 2dd5 n MET 19 Cb 0.29 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 2dd5 n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dd5 n GLN 20 N 1.18 2.55 -1.67 0.03 -0.06 -0.98 -4.91 117.38 113.52 2dd5 n GLN 20 Ca 0.19 0.92 -0.38 0.00 -2.00 0.00 0.00 57.00 55.73 2dd5 n GLN 20 Cb 0.48 -2.91 0.06 0.00 -4.06 0.00 0.00 30.24 23.81 2dd5 n GLN 20 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2dd5 n PRO 21 N 7.41 1.09 -3.51 3.69 -0.02 -1.26 -5.02 135.00 137.38 2dd5 n PRO 21 Ca 0.22 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 2dd5 n PRO 21 Cb 0.37 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2dd5 n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dd5 s ALA 22 N -1.43 -1.60 -0.53 3.55 0.00 -1.26 -5.08 121.76 115.41 2dd5 s ALA 22 Ca 0.78 0.49 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 2dd5 s ALA 22 Cb -0.41 0.77 0.13 0.00 0.00 0.00 0.00 23.12 23.61 2dd5 s ALA 22 CO 0.45 -0.80 0.47 -0.51 0.00 0.00 0.00 175.76 175.37 2dd5 s LEU 23 N -2.72 6.09 -0.45 0.00 1.43 -1.26 -5.02 118.68 116.74 2dd5 s LEU 23 Ca 0.04 -1.80 -0.17 0.00 -1.03 0.00 0.00 54.13 51.17 2dd5 s LEU 23 Cb -0.02 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 44.08 2dd5 s LEU 23 CO -0.09 -0.83 0.43 -2.28 0.23 0.00 0.00 176.35 173.81 2dd5 s HIS 24 N 1.56 3.19 -0.43 0.29 2.46 -1.26 -5.04 115.29 116.05 2dd5 s HIS 24 Ca 0.03 -0.64 -0.08 0.00 0.47 0.00 0.00 55.06 54.84 2dd5 s HIS 24 Cb -0.29 -3.05 0.09 0.00 -0.13 0.00 0.00 32.58 29.21 2dd5 s HIS 24 CO 0.02 -0.77 0.28 -1.14 -2.47 0.00 0.00 174.74 170.66 2dd5 s GLN 25 N 1.96 2.50 0.38 2.88 0.74 -1.26 -5.07 119.66 121.78 2dd5 s GLN 25 Ca 0.08 -1.59 -0.27 0.00 0.05 0.00 0.00 55.36 53.63 2dd5 s GLN 25 Cb -0.20 -3.79 -0.09 0.00 1.10 0.00 0.00 33.01 30.02 2dd5 s GLN 25 CO 0.10 -1.04 1.34 -0.65 -0.55 0.00 0.00 175.29 174.49 2dd5 s GLN 26 N 1.37 4.09 -0.19 1.67 -0.21 -1.26 -4.99 119.66 120.14 2dd5 s GLN 26 Ca 0.04 2.25 -0.06 0.00 0.02 0.00 0.00 55.36 57.61 2dd5 s GLN 26 Cb -0.24 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 30.86 2dd5 s GLN 26 CO 0.00 -0.43 0.03 0.95 -2.12 0.00 0.00 175.29 173.73 2dd5 s THR 27 N -1.20 4.43 -0.52 -0.19 -4.23 -1.26 -5.03 115.64 107.64 2dd5 s THR 27 Ca 0.54 -0.16 0.07 0.00 -1.18 0.00 0.00 61.69 60.96 2dd5 s THR 27 Cb -0.40 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.69 2dd5 s THR 27 CO 0.53 0.44 0.64 1.41 -0.54 0.00 0.00 174.62 177.10 2dd5 n HIS 28 N 3.82 1.68 -3.43 3.99 8.25 -1.26 -4.94 115.22 123.33 2dd5 n HIS 28 Ca -0.17 -3.86 -0.18 0.00 -0.26 0.00 0.00 57.72 53.25 2dd5 n HIS 28 Cb 0.52 -0.45 0.03 0.00 1.12 0.00 0.00 29.99 31.21 2dd5 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dd5 n ALA 29 N 1.13 -2.57 -1.00 -1.41 0.00 -1.26 -4.94 120.51 110.47 2dd5 n ALA 29 Ca 0.26 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 2dd5 n ALA 29 Cb 0.47 -3.12 0.13 0.00 0.00 0.00 0.00 19.45 16.93 2dd5 n ALA 29 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2dd5 s PRO 30 N -4.61 1.53 0.63 0.00 0.02 -1.26 -5.00 135.00 126.31 2dd5 s PRO 30 Ca 0.26 1.62 -0.14 0.00 0.02 0.00 0.00 61.00 62.75 2dd5 s PRO 30 Cb -0.07 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 2dd5 s PRO 30 CO 0.81 -2.26 1.06 0.00 -0.33 0.00 0.00 177.00 176.28 2dd5 s ALA 31 N -2.40 2.71 0.54 -1.55 0.00 -1.26 -4.92 121.76 114.89 2dd5 s ALA 31 Ca 0.70 0.30 0.30 0.00 0.00 0.00 0.00 51.96 53.26 2dd5 s ALA 31 Cb -0.25 -3.22 1.47 0.00 0.00 0.00 0.00 23.12 21.12 2dd5 s ALA 31 CO 0.53 -0.95 1.91 -1.35 0.00 0.00 0.00 175.76 175.90 2dd5 h PRO 32 N 0.08 0.00 0.00 0.00 0.11 -1.96 0.75 132.00 130.98 2dd5 h PRO 32 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2dd5 h PRO 32 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dd5 h PRO 32 CO 0.57 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 2dd5 n THR 33 N -4.29 0.56 1.03 -1.15 -2.24 -1.26 -2.24 114.28 104.69 2dd5 n THR 33 Ca 0.17 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 2dd5 n THR 33 Cb 0.90 -0.84 0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2dd5 n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dd5 n GLU 34 N -1.36 1.48 -3.49 -0.78 -0.58 0.26 -4.85 120.64 111.32 2dd5 n GLU 34 Ca 0.07 -1.20 -0.42 0.00 -0.42 0.00 0.00 57.16 55.19 2dd5 n GLU 34 Cb 0.17 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 2dd5 n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dd5 s ILE 35 N -2.35 5.27 0.70 -3.67 -1.09 -0.95 -5.02 121.20 114.09 2dd5 s ILE 35 Ca 0.22 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 58.08 2dd5 s ILE 35 Cb 0.19 -3.84 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 2dd5 s ILE 35 CO 0.50 -0.18 1.03 0.42 -1.23 0.00 0.00 174.94 175.47 2dd5 s THR 36 N 1.70 2.56 0.23 2.92 -4.23 -1.26 -4.85 115.64 112.70 2dd5 s THR 36 Ca 0.05 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.38 2dd5 s THR 36 Cb -0.18 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.75 2dd5 s THR 36 CO 0.10 -0.13 1.88 -0.74 -0.54 0.00 0.00 174.62 175.19 2dd5 h HIS 37 N -0.62 1.18 -0.43 3.99 2.76 -1.99 0.43 115.15 120.47 2dd5 h HIS 37 Ca -0.45 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.73 2dd5 h HIS 37 Cb 1.30 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 2dd5 h HIS 37 CO 0.37 0.78 0.28 1.15 -1.30 0.00 0.00 177.93 179.20 2dd5 h THR 38 N 1.24 1.09 -0.44 6.26 2.02 -2.00 -0.76 112.91 120.32 2dd5 h THR 38 Ca 0.32 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 2dd5 h THR 38 Cb -0.07 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2dd5 h THR 38 CO -0.06 0.10 -0.22 -0.07 0.37 0.00 0.00 175.52 175.64 2dd5 h LEU 39 N 0.57 0.91 -0.26 2.58 3.38 -1.83 -1.79 115.31 118.87 2dd5 h LEU 39 Ca 0.16 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2dd5 h LEU 39 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2dd5 h LEU 39 CO -0.05 1.09 0.12 0.15 0.09 0.00 0.00 178.44 179.85 2dd5 h PHE 40 N 0.77 0.23 -0.52 1.13 3.57 -0.51 0.14 116.94 121.75 2dd5 h PHE 40 Ca 0.10 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2dd5 h PHE 40 Cb 0.77 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2dd5 h PHE 40 CO 0.05 0.13 0.12 -0.09 -2.23 0.00 0.00 178.31 176.28 2dd5 h ARG 41 N 0.26 0.79 -0.17 1.11 2.43 -1.05 -1.68 114.38 116.08 2dd5 h ARG 41 Ca 0.10 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2dd5 h ARG 41 Cb 0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2dd5 h ARG 41 CO -0.07 0.72 -0.03 0.00 -1.51 0.00 0.00 179.97 179.07 2dd5 h ALA 42 N 1.36 0.24 -0.18 2.80 0.00 -0.57 -2.65 119.26 120.26 2dd5 h ALA 42 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2dd5 h ALA 42 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dd5 h ALA 42 CO -0.00 -0.01 -0.29 1.88 0.00 0.00 0.00 179.25 180.82 2dd5 h TYR 43 N 0.04 0.39 -0.39 0.00 0.05 -0.65 -2.88 116.97 113.53 2dd5 h TYR 43 Ca 0.04 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2dd5 h TYR 43 Cb 0.46 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2dd5 h TYR 43 CO 0.05 0.61 0.00 0.25 -1.05 0.00 0.00 178.16 178.02 2dd5 n THR 44 N -4.11 1.06 -0.96 -2.88 -2.24 -0.64 -4.94 114.28 99.56 2dd5 n THR 44 Ca -0.01 -0.69 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 2dd5 n THR 44 Cb 0.41 -0.01 0.18 0.00 -2.10 0.00 0.00 70.33 68.81 2dd5 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dd5 s ARG 45 N -1.70 0.42 -0.38 -0.78 1.70 -1.00 -4.99 118.95 112.21 2dd5 s ARG 45 Ca 0.31 0.83 -0.15 0.00 -0.47 0.00 0.00 55.73 56.25 2dd5 s ARG 45 Cb 0.19 -1.71 0.01 0.00 -0.57 0.00 0.00 34.95 32.87 2dd5 s ARG 45 CO 0.15 -2.82 0.30 0.08 -1.08 0.00 0.00 175.30 171.94 2dd5 s VAL 46 N -2.78 5.24 0.35 4.99 1.01 -1.26 -4.99 120.40 122.96 2dd5 s VAL 46 Ca 0.66 -0.43 0.15 0.00 0.00 0.00 0.00 61.98 62.36 2dd5 s VAL 46 Cb -0.21 -3.87 0.35 0.00 0.00 0.00 0.00 36.38 32.65 2dd5 s VAL 46 CO 0.59 -0.21 1.61 -0.65 0.00 0.00 0.00 175.10 176.44 2dd5 h PRO 47 N 8.58 0.12 0.00 2.72 0.11 -1.83 -2.08 132.00 139.62 2dd5 h PRO 47 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dd5 h PRO 47 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dd5 h PRO 47 CO 0.70 0.08 0.00 -2.39 -0.21 0.00 0.00 178.00 176.18 2dd5 n HIS 48 N -5.22 0.54 -2.68 0.65 1.44 -1.13 -4.41 115.22 104.41 2dd5 n HIS 48 Ca 0.33 0.21 -0.43 0.00 -2.01 0.00 0.00 57.72 55.82 2dd5 n HIS 48 Cb 1.08 -0.85 0.00 0.00 0.12 0.00 0.00 29.99 30.35 2dd5 n HIS 48 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dd5 n ASP 49 N -2.00 5.01 -0.25 4.39 2.03 -0.78 -4.70 116.55 120.25 2dd5 n ASP 49 Ca 0.02 -2.94 0.08 0.00 0.52 0.00 0.00 54.79 52.47 2dd5 n ASP 49 Cb 0.21 -1.68 -0.04 0.00 -0.72 0.00 0.00 41.12 38.89 2dd5 n ASP 49 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2dd5 n VAL 50 N 5.64 0.00 -1.66 5.18 0.24 -1.26 -4.99 118.33 121.48 2dd5 n VAL 50 Ca 0.45 -0.24 -0.50 0.00 -2.04 0.00 0.00 64.34 62.00 2dd5 n VAL 50 Cb 0.44 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.89 2dd5 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dd5 n GLY 51 N 1.27 0.99 0.44 7.63 0.00 -1.26 -1.81 105.19 112.45 2dd5 n GLY 51 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2dd5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dd5 n GLY 52 N 3.59 0.84 3.75 -0.02 0.00 -1.26 -5.05 105.19 107.03 2dd5 n GLY 52 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2dd5 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dd5 s GLU 53 N -0.86 4.40 0.30 1.61 2.02 -0.75 -4.96 118.70 120.46 2dd5 s GLU 53 Ca 0.00 2.09 -0.29 0.00 0.02 0.00 0.00 54.97 56.78 2dd5 s GLU 53 Cb 0.00 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 2dd5 s GLU 53 CO 0.00 -0.20 1.40 0.00 0.02 0.00 0.00 175.26 176.48 2dd5 s ALA 54 N -0.37 3.57 0.20 5.21 0.00 -1.26 -5.01 121.76 124.10 2dd5 s ALA 54 Ca 0.53 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.71 2dd5 s ALA 54 Cb -0.37 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2dd5 s ALA 54 CO 0.43 -0.75 0.40 0.34 0.00 0.00 0.00 175.76 176.17 2dd5 s ASP 55 N -0.03 -0.07 0.53 0.00 -1.08 -1.26 -5.18 116.67 109.58 2dd5 s ASP 55 Ca 0.55 -0.80 0.01 0.00 -0.52 0.00 0.00 52.55 51.79 2dd5 s ASP 55 Cb -0.42 0.52 0.03 0.00 -1.46 0.00 0.00 42.92 41.58 2dd5 s ASP 55 CO 0.50 -1.01 0.75 0.68 0.52 0.00 0.00 175.17 176.61 2dd5 s VAL 56 N -3.96 2.92 0.20 1.11 -7.23 -1.26 -5.06 120.40 107.11 2dd5 s VAL 56 Ca 0.17 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 2dd5 s VAL 56 Cb 0.01 -3.09 -0.08 0.00 0.56 0.00 0.00 36.38 33.79 2dd5 s VAL 56 CO 0.02 -0.06 0.97 -2.84 -0.31 0.00 0.00 175.10 172.88 2dd5 s PRO 57 N -4.71 4.78 0.02 4.82 0.02 -1.26 -5.04 135.00 133.62 2dd5 s PRO 57 Ca 0.56 1.52 0.01 0.00 0.02 0.00 0.00 61.00 63.11 2dd5 s PRO 57 Cb -0.10 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.10 2dd5 s PRO 57 CO 0.38 0.37 -0.05 0.96 -0.33 0.00 0.00 177.00 178.33 2dd5 s ILE 58 N -0.74 0.36 -0.55 2.83 -4.36 -1.26 -5.09 121.20 112.39 2dd5 s ILE 58 Ca 0.44 -0.61 -0.28 0.00 -0.26 0.00 0.00 60.65 59.93 2dd5 s ILE 58 Cb -0.26 -0.38 0.01 0.00 1.25 0.00 0.00 42.46 43.08 2dd5 s ILE 58 CO 0.32 -0.18 1.40 -0.70 0.24 0.00 0.00 174.94 176.02 2dd5 s GLU 59 N -0.85 3.34 0.44 0.37 2.12 -1.26 -4.97 118.70 117.90 2dd5 s GLU 59 Ca -0.05 0.48 -0.25 0.00 0.36 0.00 0.00 54.97 55.51 2dd5 s GLU 59 Cb -0.06 -4.11 -0.08 0.00 0.26 0.00 0.00 34.13 30.15 2dd5 s GLU 59 CO -0.00 -1.88 1.33 0.71 -0.54 0.00 0.00 175.26 174.88 2dd5 s TYR 60 N 5.91 2.66 0.17 5.30 2.02 -1.26 -5.03 117.35 127.12 2dd5 s TYR 60 Ca 0.52 1.38 0.03 0.00 -0.37 0.00 0.00 57.07 58.63 2dd5 s TYR 60 Cb -0.11 -3.73 -0.05 0.00 -0.40 0.00 0.00 41.96 37.68 2dd5 s TYR 60 CO 0.26 -2.37 -0.04 -3.38 -1.57 0.00 0.00 175.55 168.45 2dd5 s HIS 61 N -1.28 1.29 0.47 2.71 -3.43 -1.26 -5.16 115.29 108.64 2dd5 s HIS 61 Ca 0.60 -0.91 0.03 0.00 -0.80 0.00 0.00 55.06 53.99 2dd5 s HIS 61 Cb -0.39 -0.72 0.01 0.00 -1.43 0.00 0.00 32.58 30.06 2dd5 s HIS 61 CO 0.49 -0.07 0.66 -1.21 -2.00 0.00 0.00 174.74 172.61 2dd5 s GLU 62 N -3.84 2.80 -0.07 -0.38 0.41 -1.26 -5.12 118.70 111.23 2dd5 s GLU 62 Ca 0.22 -0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 53.88 2dd5 s GLU 62 Cb 0.05 -2.61 0.03 0.00 -1.78 0.00 0.00 34.13 29.82 2dd5 s GLU 62 CO 0.03 -0.41 0.17 0.21 -0.49 0.00 0.00 175.26 174.77 2dd5 s LYS 63 N -4.54 0.16 0.47 1.61 2.20 -1.26 -5.13 119.74 113.24 2dd5 s LYS 63 Ca 0.53 0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 56.26 2dd5 s LYS 63 Cb -0.10 -0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.10 2dd5 s LYS 63 CO 0.36 -0.11 1.24 -1.21 -0.36 0.00 0.00 175.35 175.27 2dd5 s GLU 64 N 0.74 3.63 0.06 4.03 2.02 -1.26 -4.97 118.70 122.95 2dd5 s GLU 64 Ca -0.05 1.96 -0.29 0.00 0.02 0.00 0.00 54.97 56.61 2dd5 s GLU 64 Cb -0.07 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 2dd5 s GLU 64 CO -0.04 -0.71 0.91 -2.00 0.02 0.00 0.00 175.26 173.44 2dd5 s GLU 65 N -2.68 4.61 0.43 1.61 2.12 -1.26 -5.04 118.70 118.50 2dd5 s GLU 65 Ca 0.65 1.33 -0.21 0.00 0.36 0.00 0.00 54.97 57.09 2dd5 s GLU 65 Cb -0.33 -3.40 -0.11 0.00 0.26 0.00 0.00 34.13 30.55 2dd5 s GLU 65 CO 0.40 0.15 0.96 -1.21 -0.54 0.00 0.00 175.26 175.03 2dd5 s GLU 66 N 0.29 4.18 0.31 4.30 0.41 -1.26 -4.95 118.70 121.98 2dd5 s GLU 66 Ca 0.46 1.16 -0.00 0.00 -0.41 0.00 0.00 54.97 56.18 2dd5 s GLU 66 Cb -0.22 -2.19 0.51 0.00 -1.78 0.00 0.00 34.13 30.45 2dd5 s GLU 66 CO 0.27 -0.08 1.95 0.82 -0.49 0.00 0.00 175.26 177.73 2dd5 h ILE 67 N 1.88 1.20 0.00 -1.63 2.04 -2.00 -1.45 117.51 117.56 2dd5 h ILE 67 Ca -0.49 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 2dd5 h ILE 67 Cb 1.19 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2dd5 h ILE 67 CO 0.61 0.21 -0.35 4.11 0.00 0.00 0.00 178.15 182.73 2dd5 h TRP 68 N 0.94 0.00 -0.32 1.37 5.08 -1.99 -1.67 115.95 119.36 2dd5 h TRP 68 Ca 0.24 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.08 2dd5 h TRP 68 Cb -0.01 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.14 2dd5 h TRP 68 CO 0.00 0.35 -0.32 0.93 -1.28 0.00 0.00 178.44 178.12 2dd5 h GLU 69 N 0.00 0.77 -0.48 0.12 5.08 -1.66 0.31 114.58 118.72 2dd5 h GLU 69 Ca -0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2dd5 h GLU 69 Cb 0.67 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2dd5 h GLU 69 CO 0.04 1.04 0.23 1.25 -1.00 0.00 0.00 179.01 180.57 2dd5 h LEU 70 N 0.54 0.63 -0.82 1.33 6.46 -1.11 -0.97 115.31 121.37 2dd5 h LEU 70 Ca 0.05 -0.13 -0.08 0.00 -0.12 0.00 0.00 57.88 57.60 2dd5 h LEU 70 Cb 0.90 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 2dd5 h LEU 70 CO 0.08 0.58 -0.00 0.78 -0.62 0.00 0.00 178.44 179.25 2dd5 h ASN 71 N 0.63 0.85 -0.24 1.25 2.35 -1.20 -2.02 115.58 117.20 2dd5 h ASN 71 Ca 0.17 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2dd5 h ASN 71 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2dd5 h ASN 71 CO -0.02 0.91 0.07 0.74 -1.65 0.00 0.00 177.43 177.49 2dd5 h THR 72 N 0.81 1.19 -0.49 2.81 2.02 -0.59 -0.59 112.91 118.08 2dd5 h THR 72 Ca 0.15 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.73 2dd5 h THR 72 Cb 0.49 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2dd5 h THR 72 CO 0.02 0.20 0.30 0.15 0.37 0.00 0.00 175.52 176.56 2dd5 h PHE 73 N 0.22 0.55 -0.85 3.16 3.57 -1.06 -0.78 116.94 121.76 2dd5 h PHE 73 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2dd5 h PHE 73 Cb 0.24 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2dd5 h PHE 73 CO 0.00 0.32 0.45 0.00 -2.23 0.00 0.00 178.31 176.86 2dd5 h ALA 74 N 1.21 1.19 -0.21 2.41 0.00 -1.20 -1.35 119.26 121.30 2dd5 h ALA 74 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dd5 h ALA 74 Cb -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2dd5 h ALA 74 CO -0.08 0.64 0.07 1.15 0.00 0.00 0.00 179.25 181.04 2dd5 h THR 75 N 1.20 1.18 -0.74 0.00 2.02 -0.48 0.19 112.91 116.28 2dd5 h THR 75 Ca 0.30 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2dd5 h THR 75 Cb 0.05 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 2dd5 h THR 75 CO -0.05 0.18 0.38 0.00 0.37 0.00 0.00 175.52 176.41 2dd5 h GLU 77 N 1.03 0.53 -0.14 0.00 4.39 -1.16 -2.59 114.58 116.65 2dd5 h GLU 77 Ca 0.26 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 2dd5 h GLU 77 Cb 0.07 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2dd5 h GLU 77 CO -0.04 0.93 -0.44 0.00 -1.16 0.00 0.00 179.01 178.30 2dd5 h LEU 79 N 0.27 0.56 -0.06 0.00 3.38 -0.81 -1.20 115.31 117.44 2dd5 h LEU 79 Ca 0.02 -0.20 -0.25 0.00 0.09 0.00 0.00 57.88 57.54 2dd5 h LEU 79 Cb 0.89 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.50 2dd5 h LEU 79 CO 0.07 0.80 -0.95 0.00 0.09 0.00 0.00 178.44 178.46 2dd5 h ALA 80 N 1.24 0.20 -0.54 1.53 0.00 -1.10 0.10 119.26 120.68 2dd5 h ALA 80 Ca 0.07 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.35 2dd5 h ALA 80 Cb 0.70 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2dd5 h ALA 80 CO 0.05 0.69 0.30 2.35 0.00 0.00 0.00 179.25 182.64 2dd5 h TRP 81 N 0.45 0.56 -0.25 0.00 7.01 -0.48 -2.30 115.95 120.93 2dd5 h TRP 81 Ca -0.10 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 2dd5 h TRP 81 Cb 1.59 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 2dd5 h TRP 81 CO 0.10 0.29 0.02 0.54 -2.79 0.00 0.00 178.44 176.59 2dd5 n ARG 82 N -4.83 2.59 -0.97 2.65 5.12 -0.47 -4.92 116.66 115.83 2dd5 n ARG 82 Ca 0.05 -1.33 0.00 0.00 -1.93 0.00 0.00 57.85 54.64 2dd5 n ARG 82 Cb 0.12 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 29.61 2dd5 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd5 n GLY 83 N 0.24 0.40 0.24 -0.13 0.00 -0.87 -4.90 105.19 100.17 2dd5 n GLY 83 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2dd5 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dd5 h VAL 84 N 0.00 1.21 -2.44 1.61 2.07 -1.02 -3.46 116.25 114.21 2dd5 h VAL 84 Ca 0.00 -0.94 0.16 0.00 0.82 0.00 0.00 66.70 66.74 2dd5 h VAL 84 Cb 0.26 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 2dd5 h VAL 84 CO 0.00 0.29 0.45 -1.66 0.02 0.00 0.00 177.57 176.67 2dd5 s TRP 85 N -4.66 -0.15 0.30 1.57 -2.14 -1.23 -5.01 118.94 107.63 2dd5 s TRP 85 Ca -0.06 -0.17 0.07 0.00 2.66 0.00 0.00 56.10 58.60 2dd5 s TRP 85 Cb 0.15 0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 31.14 2dd5 s TRP 85 CO 0.75 -0.88 0.28 0.95 -2.66 0.00 0.00 176.95 175.39 2dd5 s THR 86 N -3.37 4.02 0.43 0.66 -4.23 -1.26 -4.05 115.64 107.84 2dd5 s THR 86 Ca 0.12 -1.33 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 2dd5 s THR 86 Cb -0.02 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.74 2dd5 s THR 86 CO 0.02 -0.25 2.05 0.00 -0.54 0.00 0.00 174.62 175.91 2dd5 h ALA 87 N 1.30 1.73 -0.50 3.99 0.00 -1.96 -1.88 119.26 121.94 2dd5 h ALA 87 Ca -0.47 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2dd5 h ALA 87 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2dd5 h ALA 87 CO 0.59 0.23 -0.01 0.93 0.00 0.00 0.00 179.25 180.99 2dd5 h GLU 88 N 0.38 0.85 -0.45 0.00 4.39 -1.99 0.23 114.58 117.99 2dd5 h GLU 88 Ca 0.10 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 2dd5 h GLU 88 Cb 0.03 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2dd5 h GLU 88 CO -0.02 0.85 -0.11 0.93 -1.16 0.00 0.00 179.01 179.51 2dd5 h GLU 89 N 0.78 0.81 0.26 2.33 5.08 -1.76 -1.98 114.58 120.11 2dd5 h GLU 89 Ca 0.15 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2dd5 h GLU 89 Cb 0.48 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2dd5 h GLU 89 CO 0.02 0.88 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.70 2dd5 h ARG 90 N 0.73 -0.34 -0.51 2.33 2.43 -0.77 -2.31 114.38 115.95 2dd5 h ARG 90 Ca 0.12 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 2dd5 h ARG 90 Cb 0.60 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.16 2dd5 h ARG 90 CO 0.04 -0.15 0.11 0.00 -1.51 0.00 0.00 179.97 178.46 2dd5 h ARG 91 N -0.46 0.25 -0.75 0.20 3.08 -0.82 0.46 114.38 116.33 2dd5 h ARG 91 Ca -0.04 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2dd5 h ARG 91 Cb 0.35 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 2dd5 h ARG 91 CO 0.06 0.16 0.49 -0.09 -1.07 0.00 0.00 179.97 179.52 2dd5 h ARG 92 N 0.25 0.96 -0.05 0.04 1.12 -1.29 0.21 114.38 115.64 2dd5 h ARG 92 Ca 0.26 -0.06 -0.20 0.00 -1.11 0.00 0.00 59.98 58.87 2dd5 h ARG 92 Cb 0.34 -0.22 0.01 0.00 -0.01 0.00 0.00 29.97 30.10 2dd5 h ARG 92 CO -0.33 0.64 -0.75 0.87 -3.11 0.00 0.00 179.97 177.30 2dd5 h LYS 93 N 0.99 0.59 0.05 0.20 1.57 -0.79 -0.77 116.57 118.41 2dd5 h LYS 93 Ca 0.28 -0.57 -0.27 0.00 -1.87 0.00 0.00 60.65 58.21 2dd5 h LYS 93 Cb -0.09 0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.40 2dd5 h LYS 93 CO -0.07 1.19 -1.10 0.37 -0.57 0.00 0.00 179.45 179.26 2dd5 h GLN 94 N 0.21 0.66 -0.02 3.15 4.15 0.03 -3.04 115.11 120.25 2dd5 h GLN 94 Ca -0.08 -0.78 0.00 0.00 0.77 0.00 0.00 58.65 58.56 2dd5 h GLN 94 Cb 1.41 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.34 2dd5 h GLN 94 CO 0.15 1.34 -0.21 0.09 -1.93 0.00 0.00 178.83 178.28 2dd5 n ASN 95 N -3.85 2.06 0.07 -0.69 3.02 0.74 -4.56 115.26 112.05 2dd5 n ASN 95 Ca -0.12 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 2dd5 n ASN 95 Cb 0.91 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 2dd5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dd5 h ASP 97 N 0.00 0.00 0.13 0.00 5.19 -1.13 -2.11 116.42 118.50 2dd5 h ASP 97 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dd5 h ASP 97 Cb 0.14 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2dd5 h ASP 97 CO 0.00 0.00 -0.01 -0.37 -3.12 0.00 0.00 179.24 175.74 2dd5 h VAL 98 N 0.00 0.21 0.00 -1.35 -1.51 -1.77 -3.48 116.25 108.35 2dd5 h VAL 98 Ca 0.11 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2dd5 h VAL 98 Cb 0.52 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2dd5 h VAL 98 CO -0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2dd5 n GLY 99 N -1.01 -0.53 0.25 5.19 0.00 -0.79 -4.36 105.19 103.94 2dd5 n GLY 99 Ca -0.03 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.47 2dd5 n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dd5 h GLN 100 N 0.00 0.12 0.42 1.61 5.75 -1.94 0.63 115.11 121.71 2dd5 h GLN 100 Ca 0.00 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2dd5 h GLN 100 Cb 0.00 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.53 2dd5 h GLN 100 CO 0.00 0.08 -0.20 1.15 -2.65 0.00 0.00 178.83 177.21 2dd5 h THR 101 N 0.13 0.57 -0.32 2.39 2.02 -2.00 -2.80 112.91 112.91 2dd5 h THR 101 Ca 0.35 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 2dd5 h THR 101 Cb 0.59 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2dd5 h THR 101 CO -0.56 0.05 -0.17 0.58 0.37 0.00 0.00 175.52 175.78 2dd5 h VAL 102 N -0.72 1.25 -0.78 3.16 2.07 -1.73 0.12 116.25 119.62 2dd5 h VAL 102 Ca -0.06 -1.16 0.12 0.00 0.82 0.00 0.00 66.70 66.42 2dd5 h VAL 102 Cb 0.51 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 2dd5 h VAL 102 CO 0.10 0.38 0.39 0.22 0.02 0.00 0.00 177.57 178.67 2dd5 h TYR 103 N 0.52 0.68 0.00 1.57 3.20 -0.77 -2.03 116.97 120.15 2dd5 h TYR 103 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2dd5 h TYR 103 Cb 0.59 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.68 2dd5 h TYR 103 CO 0.02 0.20 -1.25 1.28 -1.64 0.00 0.00 178.16 176.77 2dd5 n LEU 104 N -4.87 0.38 0.03 2.82 4.77 -1.06 -4.56 117.00 114.51 2dd5 n LEU 104 Ca 0.14 -0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 2dd5 n LEU 104 Cb 0.35 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2dd5 n LEU 104 CO 0.23 0.10 -0.19 1.23 -1.33 0.00 0.00 177.39 177.43 2dd5 h GLY 105 N 3.40 0.07 -2.55 -0.72 0.00 -0.61 -3.47 103.07 99.19 2dd5 h GLY 105 Ca 0.00 -0.17 -0.44 0.00 0.00 0.00 0.00 47.33 46.72 2dd5 h GLY 105 CO 0.00 0.15 -0.26 1.06 0.00 0.00 0.00 176.54 177.49 2dd5 s MET 106 N -2.65 3.01 0.55 4.80 -1.94 -0.78 -5.04 119.30 117.24 2dd5 s MET 106 Ca -0.03 -0.95 -0.18 0.00 -1.71 0.00 0.00 55.69 52.82 2dd5 s MET 106 Cb 0.09 -2.74 -0.06 0.00 2.01 0.00 0.00 34.83 34.13 2dd5 s MET 106 CO 0.83 -0.12 1.08 -2.14 -0.01 0.00 0.00 175.02 174.65 2dd5 s PRO 107 N -4.32 3.46 0.09 2.03 0.02 -1.26 -4.91 135.00 130.11 2dd5 s PRO 107 Ca 0.48 1.40 -0.20 0.00 0.02 0.00 0.00 61.00 62.70 2dd5 s PRO 107 Cb -0.10 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 2dd5 s PRO 107 CO 0.33 -0.72 1.33 -0.92 -0.33 0.00 0.00 177.00 176.69 2dd5 h TYR 108 N 1.03 -1.11 0.00 6.54 3.20 -1.97 0.13 116.97 124.78 2dd5 h TYR 108 Ca -0.49 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2dd5 h TYR 108 Cb 1.23 0.54 0.00 0.00 1.54 0.00 0.00 36.73 40.05 2dd5 h TYR 108 CO 0.55 -0.26 0.00 1.88 -1.64 0.00 0.00 178.16 178.69 2dd5 h TYR 109 N -0.12 0.00 -0.36 -3.82 0.05 -1.99 -2.32 116.97 108.41 2dd5 h TYR 109 Ca 0.07 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 2dd5 h TYR 109 Cb 0.31 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 2dd5 h TYR 109 CO -0.85 0.00 -0.17 0.78 -1.05 0.00 0.00 178.16 176.88 2dd5 h GLY 110 N 2.12 0.72 1.33 3.88 0.00 -1.14 -1.08 103.07 108.90 2dd5 h GLY 110 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 47.33 46.58 2dd5 h GLY 110 CO 0.00 0.51 -0.63 3.21 0.00 0.00 0.00 176.54 179.64 2dd5 h ARG 111 N 0.60 0.69 -0.23 4.80 3.08 -0.81 -1.53 114.38 120.97 2dd5 h ARG 111 Ca 0.10 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.69 2dd5 h ARG 111 Cb 0.62 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2dd5 h ARG 111 CO 0.04 1.10 0.10 -1.49 -1.07 0.00 0.00 179.97 178.65 2dd5 h TRP 112 N 0.51 0.18 -0.18 3.04 4.06 -1.33 -1.22 115.95 121.01 2dd5 h TRP 112 Ca -0.01 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2dd5 h TRP 112 Cb 1.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 2dd5 h TRP 112 CO 0.06 0.10 0.05 1.25 -3.56 0.00 0.00 178.44 176.34 2dd5 h LEU 113 N 0.22 0.27 -0.85 -4.49 5.85 -1.14 -1.55 115.31 113.62 2dd5 h LEU 113 Ca 0.10 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2dd5 h LEU 113 Cb 0.04 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2dd5 h LEU 113 CO -0.08 0.41 0.53 -0.07 -0.34 0.00 0.00 178.44 178.90 2dd5 h LEU 114 N 0.11 0.85 -1.12 2.25 3.38 -1.18 -1.67 115.31 117.92 2dd5 h LEU 114 Ca 0.06 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2dd5 h LEU 114 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2dd5 h LEU 114 CO -0.00 0.55 -0.43 0.74 0.09 0.00 0.00 178.44 179.39 2dd5 h THR 115 N 0.99 1.25 -0.48 0.22 2.02 -1.05 -0.01 112.91 115.85 2dd5 h THR 115 Ca 0.36 -1.49 -0.12 0.00 0.77 0.00 0.00 66.41 65.93 2dd5 h THR 115 Cb 0.13 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2dd5 h THR 115 CO -0.16 0.42 -0.16 0.00 0.37 0.00 0.00 175.52 175.99 2dd5 h ALA 116 N 1.57 0.67 -0.46 6.16 0.00 -0.39 -1.15 119.26 125.67 2dd5 h ALA 116 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2dd5 h ALA 116 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2dd5 h ALA 116 CO 0.06 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.74 2dd5 h ALA 117 N 0.88 0.81 -0.50 0.00 0.00 -1.03 -3.13 119.26 116.29 2dd5 h ALA 117 Ca 0.12 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2dd5 h ALA 117 Cb 0.72 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2dd5 h ALA 117 CO 0.06 0.65 0.32 -0.09 0.00 0.00 0.00 179.25 180.19 2dd5 h ARG 118 N 0.79 0.63 -0.25 0.00 9.65 -0.62 -2.72 114.38 121.86 2dd5 h ARG 118 Ca 0.11 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2dd5 h ARG 118 Cb 0.72 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 2dd5 h ARG 118 CO 0.06 0.42 -0.11 0.97 2.80 0.00 0.00 179.97 184.10 2dd5 h ILE 119 N 0.65 1.21 -0.84 1.20 6.09 -1.18 0.11 117.51 124.75 2dd5 h ILE 119 Ca 0.19 -0.92 -0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2dd5 h ILE 119 Cb -0.05 1.15 -0.04 0.00 0.47 0.00 0.00 36.82 38.35 2dd5 h ILE 119 CO -0.06 0.30 0.52 -0.07 -3.07 0.00 0.00 178.15 175.77 2dd5 h LEU 120 N 0.38 0.99 0.07 2.19 3.38 -1.43 -2.18 115.31 118.71 2dd5 h LEU 120 Ca 0.07 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2dd5 h LEU 120 Cb 0.44 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2dd5 h LEU 120 CO 0.02 0.75 -0.40 0.58 0.09 0.00 0.00 178.44 179.49 2dd5 h VAL 121 N 1.15 1.66 -0.62 1.22 2.07 -1.29 0.13 116.25 120.56 2dd5 h VAL 121 Ca 0.30 -2.43 0.03 0.00 0.82 0.00 0.00 66.70 65.42 2dd5 h VAL 121 Cb -0.07 3.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 2dd5 h VAL 121 CO -0.06 0.66 0.41 0.44 0.02 0.00 0.00 177.57 179.04 2dd5 h ASP 122 N -0.69 0.62 -0.51 0.57 3.32 -0.80 -0.04 116.42 118.89 2dd5 h ASP 122 Ca -0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2dd5 h ASP 122 Cb 1.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2dd5 h ASP 122 CO 0.07 0.43 0.00 0.29 -1.72 0.00 0.00 179.24 178.31 2dd5 n LYS 123 N -4.46 2.95 -3.00 3.56 5.02 -0.82 -4.94 118.16 116.46 2dd5 n LYS 123 Ca 0.08 -2.17 -0.20 0.00 -2.02 0.00 0.00 58.31 53.99 2dd5 n LYS 123 Cb 0.14 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.47 2dd5 n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dd5 n GLN 124 N 0.88 -3.51 0.18 1.97 6.02 -0.03 -4.85 117.38 118.04 2dd5 n GLN 124 Ca 0.20 0.66 0.07 0.00 -0.01 0.00 0.00 57.00 57.92 2dd5 n GLN 124 Cb 0.67 -5.40 0.13 0.00 1.02 0.00 0.00 30.24 26.66 2dd5 n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dd5 h PHE 125 N -0.83 0.00 -3.64 1.08 0.04 -0.99 -3.44 116.94 109.15 2dd5 h PHE 125 Ca -0.43 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.17 2dd5 h PHE 125 Cb 1.30 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.23 2dd5 h PHE 125 CO 0.63 0.30 -0.58 0.14 -0.60 0.00 0.00 178.31 178.21 2dd5 s VAL 126 N -3.13 0.07 0.48 -0.55 -7.23 -0.86 -5.03 120.40 104.15 2dd5 s VAL 126 Ca 0.04 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.55 2dd5 s VAL 126 Cb 0.07 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 2dd5 s VAL 126 CO 0.71 -0.33 0.82 0.42 -0.31 0.00 0.00 175.10 176.41 2dd5 s THR 127 N -1.07 4.84 0.42 5.32 -4.23 -1.26 -4.16 115.64 115.50 2dd5 s THR 127 Ca -0.12 0.43 0.08 0.00 -1.18 0.00 0.00 61.69 60.91 2dd5 s THR 127 Cb -0.07 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.21 2dd5 s THR 127 CO 0.01 -0.79 2.06 0.25 -0.54 0.00 0.00 174.62 175.61 2dd5 h LEU 128 N 0.48 0.40 -0.69 4.79 5.85 -1.96 -1.37 115.31 122.81 2dd5 h LEU 128 Ca -0.47 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2dd5 h LEU 128 Cb 1.20 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2dd5 h LEU 128 CO 0.62 0.30 0.35 0.74 -0.34 0.00 0.00 178.44 180.12 2dd5 h THR 129 N 0.47 1.22 -0.72 1.05 2.02 -1.99 0.38 112.91 115.35 2dd5 h THR 129 Ca 0.13 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 2dd5 h THR 129 Cb -0.03 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2dd5 h THR 129 CO -0.03 0.25 0.25 -0.33 0.37 0.00 0.00 175.52 176.04 2dd5 h GLU 130 N 0.95 1.09 -0.16 6.66 5.08 -1.65 0.46 114.58 127.02 2dd5 h GLU 130 Ca 0.24 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2dd5 h GLU 130 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2dd5 h GLU 130 CO -0.03 0.92 0.02 1.25 -1.00 0.00 0.00 179.01 180.16 2dd5 h LEU 131 N 1.06 0.26 -0.70 1.33 5.85 -0.78 -0.60 115.31 121.72 2dd5 h LEU 131 Ca 0.24 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2dd5 h LEU 131 Cb 0.26 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2dd5 h LEU 131 CO -0.01 0.47 0.41 0.45 -0.34 0.00 0.00 178.44 179.43 2dd5 h HIS 132 N 0.04 0.94 -0.76 1.25 3.86 -0.74 -1.44 115.15 118.31 2dd5 h HIS 132 Ca 0.05 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2dd5 h HIS 132 Cb 0.33 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2dd5 h HIS 132 CO 0.02 0.64 0.31 -0.91 0.86 0.00 0.00 177.93 178.86 2dd5 h ASN 133 N 0.96 1.03 -0.53 2.45 2.35 -0.78 -2.27 115.58 118.80 2dd5 h ASN 133 Ca 0.25 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2dd5 h ASN 133 Cb -0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2dd5 h ASN 133 CO -0.05 0.91 0.27 0.50 -1.65 0.00 0.00 177.43 177.42 2dd5 h LYS 134 N 1.09 0.76 -0.69 0.81 1.63 -0.62 -0.93 116.57 118.61 2dd5 h LYS 134 Ca 0.25 -0.10 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 2dd5 h LYS 134 Cb 0.19 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2dd5 h LYS 134 CO -0.02 0.61 0.43 0.82 -3.45 0.00 0.00 179.45 177.84 2dd5 h ILE 135 N 0.71 1.09 -0.71 2.00 2.04 -1.03 0.45 117.51 122.06 2dd5 h ILE 135 Ca 0.18 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2dd5 h ILE 135 Cb 0.09 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 2dd5 h ILE 135 CO -0.03 0.15 0.45 0.58 0.00 0.00 0.00 178.15 179.31 2dd5 h VAL 136 N 0.84 1.19 -0.52 1.67 2.07 -0.96 -1.72 116.25 118.82 2dd5 h VAL 136 Ca 0.28 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2dd5 h VAL 136 Cb 0.03 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2dd5 h VAL 136 CO -0.11 0.19 0.34 -0.33 0.02 0.00 0.00 177.57 177.68 2dd5 h GLU 137 N 0.96 0.68 -0.69 1.57 5.08 -0.03 -0.68 114.58 121.49 2dd5 h GLU 137 Ca 0.26 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2dd5 h GLU 137 Cb -0.07 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2dd5 h GLU 137 CO -0.05 0.46 0.32 0.52 -1.00 0.00 0.00 179.01 179.26 2dd5 h MET 138 N 0.70 0.99 -0.57 2.33 2.86 -0.55 0.16 114.93 120.85 2dd5 h MET 138 Ca 0.19 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2dd5 h MET 138 Cb -0.07 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 2dd5 h MET 138 CO -0.04 0.79 -0.01 0.00 1.06 0.00 0.00 176.91 178.71 2dd5 h ARG 139 N 0.96 1.00 -0.49 1.72 3.08 -1.04 -1.36 114.38 118.24 2dd5 h ARG 139 Ca 0.24 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 2dd5 h ARG 139 Cb 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2dd5 h ARG 139 CO -0.03 0.99 -0.19 0.93 -1.07 0.00 0.00 179.97 180.60 2dd5 h GLU 140 N 0.91 0.99 -0.94 0.04 5.08 -0.77 -0.42 114.58 119.46 2dd5 h GLU 140 Ca 0.16 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2dd5 h GLU 140 Cb 0.55 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 2dd5 h GLU 140 CO 0.03 1.08 0.61 -0.09 -1.00 0.00 0.00 179.01 179.64 2dd5 h ARG 141 N 0.86 1.11 -0.19 2.33 2.43 -0.33 0.57 114.38 121.16 2dd5 h ARG 141 Ca 0.12 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 2dd5 h ARG 141 Cb 0.76 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2dd5 h ARG 141 CO 0.06 0.73 -0.64 0.28 -1.51 0.00 0.00 179.97 178.89 2dd5 h VAL 142 N 1.14 1.30 0.05 0.20 2.07 -0.95 -2.33 116.25 117.73 2dd5 h VAL 142 Ca 0.39 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2dd5 h VAL 142 Cb 0.08 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2dd5 h VAL 142 CO -0.14 0.59 -0.02 0.00 0.02 0.00 0.00 177.57 178.02 2dd5 h ALA 143 N 0.76 -0.06 0.00 1.67 0.00 -0.29 -3.11 119.26 118.22 2dd5 h ALA 143 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2dd5 h ALA 143 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dd5 h ALA 143 CO 0.13 -0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 2dd5 n SER 144 N -4.84 0.00 -1.46 0.00 3.41 0.19 -4.77 113.62 106.15 2dd5 n SER 144 Ca -0.09 -0.12 -0.17 0.00 -0.26 0.00 0.00 58.87 58.22 2dd5 n SER 144 Cb 0.29 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 2dd5 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dd5 n GLY 145 N -0.75 1.34 0.36 5.00 0.00 -1.18 -4.84 105.19 105.12 2dd5 n GLY 145 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2dd5 n GLY 145 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dd5 n GLN 146 N -2.53 0.95 0.00 1.61 6.02 -0.88 -4.63 117.38 117.92 2dd5 n GLN 146 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2dd5 n GLN 146 Cb 0.59 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.51 2dd5 n GLN 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dd5 n GLY 147 N 0.15 -2.55 2.70 1.08 0.00 -1.25 -4.63 105.19 100.70 2dd5 n GLY 147 Ca 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 2dd5 n GLY 147 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dd5 n LEU 148 N 0.00 -2.05 0.00 0.99 -0.00 0.39 -4.23 117.00 112.10 2dd5 n LEU 148 Ca 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 56.01 53.54 2dd5 n LEU 148 Cb 0.00 0.68 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 2dd5 n LEU 148 CO 0.00 1.77 0.00 0.61 -0.00 0.00 0.00 177.39 179.77 2dd5 n GLY 149 N 1.61 2.37 0.64 -3.96 0.00 -1.26 -1.01 105.19 103.58 2dd5 n GLY 149 Ca 0.05 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.88 2dd5 n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dd5 n GLU 150 N 14.00 1.82 0.06 1.61 0.28 -1.26 -3.72 120.64 133.42 2dd5 n GLU 150 Ca 0.00 -1.26 0.11 0.00 -0.16 0.00 0.00 57.16 55.85 2dd5 n GLU 150 Cb 0.00 -1.33 -0.07 0.00 1.43 0.00 0.00 31.44 31.47 2dd5 n GLU 150 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2dd5 n TYR 151 N 0.50 0.55 -3.54 -1.84 4.01 -0.18 -4.94 117.16 111.72 2dd5 n TYR 151 Ca 0.14 0.16 -0.00 0.00 -0.16 0.00 0.00 57.90 58.04 2dd5 n TYR 151 Cb 0.32 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.55 2dd5 n TYR 151 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2dd5 s LEU 152 N -4.95 -0.46 0.59 7.72 2.96 -0.76 -4.97 118.68 118.82 2dd5 s LEU 152 Ca -0.03 0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 54.41 2dd5 s LEU 152 Cb 0.12 1.61 -0.04 0.00 0.50 0.00 0.00 46.19 48.38 2dd5 s LEU 152 CO 0.84 -0.10 1.07 -2.16 -1.32 0.00 0.00 176.35 174.67 2dd5 s PRO 153 N 1.71 3.28 0.00 0.98 0.04 -1.26 0.15 135.00 139.90 2dd5 s PRO 153 Ca -0.06 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2dd5 s PRO 153 Cb -0.04 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2dd5 s PRO 153 CO -0.15 -0.85 0.52 -2.30 0.04 0.00 0.00 177.00 174.26