#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb s ASP 2 N 0.00 -0.56 0.00 6.12 1.01 -1.26 -5.18 116.67 116.80 1ddb s ASP 2 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.25 1ddb s ASP 2 Cb 0.00 0.60 0.00 0.00 1.01 0.00 0.00 42.92 44.53 1ddb s ASP 2 CO 0.00 -0.97 0.00 -1.20 0.21 0.00 0.00 175.17 173.21 1ddb n SER 3 N -0.38 0.00 0.00 0.27 7.64 -1.26 -5.11 113.62 114.78 1ddb n SER 3 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1ddb n SER 3 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1ddb n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ddb n GLU 4 N -0.52 0.00 0.00 1.43 0.00 -1.26 -5.16 120.64 115.13 1ddb n GLU 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ddb n GLU 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ddb n GLU 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1ddb n VAL 5 N 0.00 0.00 -3.81 6.31 0.24 -1.26 -5.00 118.33 114.81 1ddb n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ddb n VAL 5 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 1ddb n VAL 5 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ddb n SER 6 N -3.62 -0.76 -3.58 -1.34 3.41 -1.26 -5.19 113.62 101.29 1ddb n SER 6 Ca 0.00 -1.29 -0.05 0.00 -0.26 0.00 0.00 58.87 57.27 1ddb n SER 6 Cb 0.00 1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 65.13 1ddb n SER 6 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ddb s ASN 7 N -2.38 -0.18 0.00 4.04 0.01 -1.26 -5.19 114.94 109.98 1ddb s ASN 7 Ca 0.14 -0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1ddb s ASN 7 Cb -0.01 0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.85 1ddb s ASN 7 CO 0.01 -0.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 1ddb n GLY 8 N -0.13 7.40 0.00 0.66 0.00 -1.26 -5.13 105.19 106.74 1ddb n GLY 8 Ca -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1ddb n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 9 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.10 113.62 116.51 1ddb n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddb n SER 9 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddb n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ddb n GLY 10 N 0.65 1.81 0.75 0.23 0.00 -1.26 -4.88 105.19 102.49 1ddb n GLY 10 Ca 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.85 1ddb n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddb n LEU 11 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.07 117.00 116.43 1ddb n LEU 11 Ca 0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1ddb n LEU 11 Cb 0.00 0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ddb n LEU 11 CO 0.00 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1ddb n GLY 12 N -0.13 1.37 0.00 -0.72 0.00 -1.26 -2.42 105.19 102.04 1ddb n GLY 12 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N -1.11 0.00 -3.65 4.61 0.00 -0.34 -4.83 120.51 115.18 1ddb n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 13 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ddb n ALA 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ddb s LYS 14 N -2.00 0.02 0.17 0.00 -0.14 -1.26 -4.98 119.74 111.55 1ddb s LYS 14 Ca 0.00 0.03 -0.15 0.00 -1.36 0.00 0.00 55.97 54.49 1ddb s LYS 14 Cb 0.00 0.01 0.06 0.00 -1.68 0.00 0.00 37.83 36.21 1ddb s LYS 14 CO 0.00 -0.00 1.83 1.12 -0.76 0.00 0.00 175.35 177.53 1ddb h HIS 15 N 4.15 0.60 -0.96 3.18 2.07 -2.00 -1.56 115.15 120.62 1ddb h HIS 15 Ca -0.27 0.02 0.11 0.00 -2.85 0.00 0.00 60.37 57.38 1ddb h HIS 15 Cb 1.17 -0.20 -0.08 0.00 2.57 0.00 0.00 27.41 30.87 1ddb h HIS 15 CO 0.20 0.37 0.60 0.82 -3.07 0.00 0.00 177.93 176.85 1ddb h ILE 16 N 0.65 0.93 0.38 6.12 1.08 -1.96 -2.23 117.51 122.48 1ddb h ILE 16 Ca 0.18 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1ddb h ILE 16 Cb -0.06 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.55 1ddb h ILE 16 CO -0.05 0.18 -0.46 0.74 -0.69 0.00 0.00 178.15 177.87 1ddb h THR 17 N 0.97 0.00 -1.17 -0.27 2.02 -1.66 -0.62 112.91 112.18 1ddb h THR 17 Ca 0.47 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.99 1ddb h THR 17 Cb 0.43 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.73 1ddb h THR 17 CO -0.25 0.00 0.76 -0.78 0.37 0.00 0.00 175.52 175.62 1ddb h ASP 18 N -0.86 0.33 -0.22 4.18 1.82 -1.09 2.45 116.42 123.03 1ddb h ASP 18 Ca -0.05 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1ddb h ASP 18 Cb 0.76 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1ddb h ASP 18 CO -0.10 -0.03 0.08 -0.07 -1.61 0.00 0.00 179.24 177.52 1ddb h LEU 19 N 0.24 0.36 -0.52 2.28 -0.00 -0.57 -1.14 115.31 115.96 1ddb h LEU 19 Ca 0.69 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 58.47 1ddb h LEU 19 Cb 2.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 42.55 1ddb h LEU 19 CO -0.33 0.36 0.11 0.25 -0.00 0.00 0.00 178.44 178.84 1ddb h LEU 20 N 0.40 0.80 0.43 1.67 7.12 0.49 2.29 115.31 128.52 1ddb h LEU 20 Ca 0.10 -0.24 -0.02 0.00 0.13 0.00 0.00 57.88 57.84 1ddb h LEU 20 Cb 0.14 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1ddb h LEU 20 CO -0.01 0.84 -0.21 1.62 -0.13 0.00 0.00 178.44 180.56 1ddb h VAL 21 N 0.73 0.00 -0.30 1.05 3.04 -0.89 1.65 116.25 121.54 1ddb h VAL 21 Ca 0.16 -0.06 -0.03 0.00 -1.01 0.00 0.00 66.70 65.77 1ddb h VAL 21 Cb 0.36 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.62 1ddb h VAL 21 CO 0.00 0.00 0.06 0.15 -1.01 0.00 0.00 177.57 176.77 1ddb h PHE 22 N -0.64 0.43 -0.15 3.17 3.04 -1.27 -2.30 116.94 119.22 1ddb h PHE 22 Ca -0.06 -0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.68 1ddb h PHE 22 Cb 0.45 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1ddb h PHE 22 CO 0.11 0.40 -0.68 0.78 -2.02 0.00 0.00 178.31 176.89 1ddb h GLY 23 N 0.68 0.67 0.35 2.40 0.00 0.39 -2.80 103.07 104.76 1ddb h GLY 23 Ca 0.10 -0.89 0.01 0.00 0.00 0.00 0.00 47.33 46.56 1ddb h GLY 23 CO -0.00 0.79 -0.41 -2.75 0.00 0.00 0.00 176.54 174.17 1ddb h PHE 24 N 0.44 -1.15 -0.99 5.60 3.04 0.30 -0.36 116.94 123.82 1ddb h PHE 24 Ca -0.02 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.00 1ddb h PHE 24 Cb 1.27 0.48 -0.06 0.00 2.56 0.00 0.00 35.95 40.19 1ddb h PHE 24 CO 0.06 -0.52 0.65 -0.07 -2.02 0.00 0.00 178.31 176.41 1ddb h LEU 25 N -0.68 1.05 -1.50 0.59 4.07 -1.59 -0.04 115.31 117.22 1ddb h LEU 25 Ca 0.01 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.09 1ddb h LEU 25 Cb 0.69 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 1ddb h LEU 25 CO -0.21 0.69 0.49 -0.61 -1.08 0.00 0.00 178.44 177.73 1ddb h GLN 26 N 1.20 0.52 0.00 1.13 4.15 -1.00 -3.24 115.11 117.87 1ddb h GLN 26 Ca 0.41 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1ddb h GLN 26 Cb 0.10 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1ddb h GLN 26 CO -0.15 0.34 0.00 0.45 -1.93 0.00 0.00 178.83 177.54 1ddb n SER 27 N -4.49 0.00 -0.49 -0.69 2.88 -0.04 -4.86 113.62 105.93 1ddb n SER 27 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1ddb n SER 27 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ddb n SER 28 N 0.00 0.06 0.00 -3.46 2.88 -1.19 -4.94 113.62 106.96 1ddb n SER 28 Ca 0.00 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.51 1ddb n SER 28 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddb n GLY 29 N -0.04 -1.80 0.00 0.46 0.00 -1.13 -4.74 105.19 97.94 1ddb n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s THR 31 N 0.16 0.10 0.13 0.00 -4.23 -1.26 -5.01 115.64 105.53 1ddb s THR 31 Ca 0.00 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.37 1ddb s THR 31 Cb 0.00 -0.66 -0.07 0.00 1.34 0.00 0.00 72.50 73.11 1ddb s THR 31 CO 0.00 -0.48 1.47 0.08 -0.54 0.00 0.00 174.62 175.15 1ddb h ARG 32 N 3.94 -0.11 -0.48 3.99 0.11 -1.92 1.80 114.38 121.70 1ddb h ARG 32 Ca -0.32 0.01 0.14 0.00 0.10 0.00 0.00 59.98 59.91 1ddb h ARG 32 Cb 1.19 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1ddb h ARG 32 CO 0.45 -0.08 0.52 0.37 0.10 0.00 0.00 179.97 181.34 1ddb h GLN 33 N -0.12 0.00 0.27 0.08 4.15 -1.97 -0.09 115.11 117.44 1ddb h GLN 33 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1ddb h GLN 33 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1ddb h GLN 33 CO -0.71 0.00 -0.13 1.49 -1.93 0.00 0.00 178.83 177.55 1ddb h GLU 34 N 0.00 -0.36 -1.01 1.69 4.57 0.23 0.43 114.58 120.14 1ddb h GLU 34 Ca 0.23 0.02 0.36 0.00 -1.18 0.00 0.00 59.36 58.79 1ddb h GLU 34 Cb 1.27 0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 29.78 1ddb h GLU 34 CO -0.00 -0.02 0.57 1.37 -1.18 0.00 0.00 179.01 179.75 1ddb h LEU 35 N -0.77 0.44 0.06 1.64 -0.00 0.25 1.58 115.31 118.51 1ddb h LEU 35 Ca -0.04 0.21 -0.27 0.00 -0.00 0.00 0.00 57.88 57.79 1ddb h LEU 35 Cb 0.50 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 1ddb h LEU 35 CO 0.06 -0.25 -1.32 -0.08 -0.00 0.00 0.00 178.44 176.85 1ddb h GLU 36 N 0.20 0.14 0.70 0.17 4.22 -1.39 0.48 114.58 119.09 1ddb h GLU 36 Ca 0.78 -0.23 -0.03 0.00 0.08 0.00 0.00 59.36 59.95 1ddb h GLU 36 Cb 1.91 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.26 1ddb h GLU 36 CO -0.66 1.01 -0.34 -0.24 -2.18 0.00 0.00 179.01 176.61 1ddb h VAL 37 N 0.04 0.25 0.19 0.32 3.04 0.66 -1.32 116.25 119.42 1ddb h VAL 37 Ca -0.15 -0.15 -0.31 0.00 -1.01 0.00 0.00 66.70 65.08 1ddb h VAL 37 Cb 1.92 0.29 0.03 0.00 -2.01 0.00 0.00 31.29 31.52 1ddb h VAL 37 CO 0.15 0.02 -1.36 -0.07 -1.01 0.00 0.00 177.57 175.30 1ddb h LEU 38 N -1.05 0.76 -0.60 3.16 -0.00 0.25 -3.31 115.31 114.51 1ddb h LEU 38 Ca -0.10 -0.78 0.12 0.00 -0.00 0.00 0.00 57.88 57.13 1ddb h LEU 38 Cb 0.74 -0.24 -0.12 0.00 -0.00 0.00 0.00 40.66 41.04 1ddb h LEU 38 CO 0.16 1.60 -0.18 1.23 -0.00 0.00 0.00 178.44 181.24 1ddb h GLY 39 N 0.53 0.36 0.00 0.83 0.00 -0.06 -3.47 103.07 101.26 1ddb h GLY 39 Ca -0.21 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ddb h GLY 39 CO 0.25 -0.23 0.00 -2.13 0.00 0.00 0.00 176.54 174.43 1ddb n ARG 40 N -5.43 0.00 -3.61 4.80 0.63 -0.50 -4.93 116.66 107.62 1ddb n ARG 40 Ca 0.07 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.70 1ddb n ARG 40 Cb 0.33 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.09 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ddb s GLU 41 N -0.59 0.51 -0.14 -0.14 -6.30 -1.26 -4.21 118.70 106.57 1ddb s GLU 41 Ca 0.00 -0.95 -0.09 0.00 -2.50 0.00 0.00 54.97 51.43 1ddb s GLU 41 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 34.13 32.51 1ddb s GLU 41 CO 0.00 -1.04 0.18 -0.51 0.02 0.00 0.00 175.26 173.91 1ddb s LEU 42 N 1.66 4.32 0.72 2.70 2.01 -1.26 -5.09 118.68 123.74 1ddb s LEU 42 Ca 0.11 0.44 -0.11 0.00 0.01 0.00 0.00 54.13 54.58 1ddb s LEU 42 Cb -0.18 -2.16 0.02 0.00 0.01 0.00 0.00 46.19 43.88 1ddb s LEU 42 CO -0.25 0.29 1.07 -2.16 1.01 0.00 0.00 176.35 176.31 1ddb s PRO 43 N -0.40 2.74 -0.49 1.29 0.04 -1.26 -4.84 135.00 132.08 1ddb s PRO 43 Ca 0.14 0.88 -0.43 0.00 0.04 0.00 0.00 61.00 61.63 1ddb s PRO 43 Cb -0.12 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.26 1ddb s PRO 43 CO 0.03 -1.22 2.15 0.28 0.04 0.00 0.00 177.00 178.28 1ddb n VAL 44 N -3.20 0.02 0.00 -0.36 0.31 -1.26 -4.74 118.33 109.10 1ddb n VAL 44 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ddb n VAL 44 Cb 0.54 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1ddb n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddb n GLN 45 N 7.57 0.00 -3.26 5.55 6.02 -1.26 -5.06 117.38 126.94 1ddb n GLN 45 Ca 0.54 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.27 1ddb n GLN 45 Cb -0.02 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.18 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddb n ALA 46 N -0.84 3.56 -0.16 -1.58 0.00 -1.26 -4.98 120.51 115.25 1ddb n ALA 46 Ca 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 53.44 49.11 1ddb n ALA 46 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N 0.77 -0.17 -0.04 0.00 9.36 -1.26 -4.91 117.16 120.90 1ddb n TYR 47 Ca 0.27 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.99 1ddb n TYR 47 Cb 0.46 -0.46 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1ddb n TYR 47 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1ddb n TRP 48 N -3.93 -0.10 0.09 2.98 -0.00 -1.26 -5.01 117.44 110.22 1ddb n TRP 48 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.50 57.56 1ddb n TRP 48 Cb 0.10 -0.09 0.00 0.00 -0.00 0.00 0.00 31.31 31.32 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1ddb n GLU 49 N -2.47 0.00 0.00 5.87 4.07 -1.26 -5.17 120.64 121.67 1ddb n GLU 49 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ddb n GLU 49 Cb 0.02 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.26 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ddb n ALA 50 N -3.28 0.00 -3.63 4.31 0.00 -1.26 -5.17 120.51 111.48 1ddb n ALA 50 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1ddb n ALA 50 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1ddb n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddb s ASP 51 N 0.00 -0.34 0.00 0.00 2.15 -1.26 -5.18 116.67 112.04 1ddb s ASP 51 Ca 0.00 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.61 1ddb s ASP 51 Cb 0.00 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1ddb s ASP 51 CO 0.00 -0.14 0.00 -0.11 -0.17 0.00 0.00 175.17 174.75 1ddb n LEU 52 N 1.87 0.00 -0.89 -1.34 0.00 -1.26 -5.15 117.00 110.23 1ddb n LEU 52 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.90 1ddb n LEU 52 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 1ddb n LEU 52 CO 0.04 0.00 -0.24 1.21 0.00 0.00 0.00 177.39 178.40 1ddb n GLU 53 N -0.04 -2.52 -3.56 1.96 0.00 -1.26 -5.00 120.64 110.22 1ddb n GLU 53 Ca 0.00 1.84 -0.11 0.00 0.00 0.00 0.00 57.16 58.89 1ddb n GLU 53 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 31.44 29.38 1ddb n GLU 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ddb s ASP 54 N -1.91 -0.46 0.41 4.31 1.01 -1.26 -4.90 116.67 113.87 1ddb s ASP 54 Ca 0.00 -0.20 0.08 0.00 0.71 0.00 0.00 52.55 53.14 1ddb s ASP 54 Cb 0.00 0.62 -0.04 0.00 1.01 0.00 0.00 42.92 44.51 1ddb s ASP 54 CO 0.00 -1.06 0.22 -1.83 0.21 0.00 0.00 175.17 172.71 1ddb s GLU 55 N -3.80 2.31 0.35 8.23 -1.05 -1.26 -5.04 118.70 118.44 1ddb s GLU 55 Ca 0.04 -1.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.12 1ddb s GLU 55 Cb -0.02 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.58 1ddb s GLU 55 CO -0.07 -0.11 0.00 -0.11 0.95 0.00 0.00 175.26 175.92 1ddb n LEU 56 N -1.30 -2.85 -4.34 1.83 7.94 -1.26 -5.03 117.00 111.99 1ddb n LEU 56 Ca -0.00 0.66 -0.34 0.00 -1.11 0.00 0.00 56.01 55.21 1ddb n LEU 56 Cb 0.64 2.76 -0.09 0.00 0.53 0.00 0.00 43.42 47.26 1ddb n LEU 56 CO 0.45 0.00 -0.35 0.00 -1.11 0.00 0.00 177.39 176.38 1ddb n GLN 57 N -3.24 -0.86 -4.25 1.96 10.64 -1.26 -4.90 117.38 115.48 1ddb n GLN 57 Ca 0.00 0.11 -0.31 0.00 -1.83 0.00 0.00 57.00 54.96 1ddb n GLN 57 Cb 0.00 -3.89 -0.09 0.00 -0.86 0.00 0.00 30.24 25.40 1ddb n GLN 57 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1ddb s THR 58 N -3.92 3.91 0.00 -0.39 -4.23 -1.26 -4.93 115.64 104.82 1ddb s THR 58 Ca 0.30 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1ddb s THR 58 Cb -0.18 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1ddb s THR 58 CO 0.98 0.24 0.00 0.47 -0.54 0.00 0.00 174.62 175.77 1ddb n ASP 59 N 1.00 0.00 -3.66 3.99 8.00 -1.26 -5.07 116.55 119.56 1ddb n ASP 59 Ca -0.13 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.12 1ddb n ASP 59 Cb 0.52 0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddb n GLY 60 N -0.94 -1.13 5.00 0.44 0.00 -1.26 -2.63 105.19 104.67 1ddb n GLY 60 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 61 N -2.42 0.00 -3.84 1.61 2.88 -1.26 -4.63 113.62 105.96 1ddb n SER 61 Ca -0.15 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.29 1ddb n SER 61 Cb 0.60 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 1ddb n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb s GLN 62 N 0.00 1.06 0.00 -1.46 -2.07 -1.08 -5.10 119.66 111.02 1ddb s GLN 62 Ca 0.00 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 1ddb s GLN 62 Cb 0.00 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 1ddb s GLN 62 CO 0.00 -0.39 0.71 0.00 -1.32 0.00 0.00 175.29 174.29 1ddb n ALA 63 N -0.18 -0.31 -0.93 2.60 0.00 -1.25 -4.89 120.51 115.55 1ddb n ALA 63 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 63 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1ddb n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddb n SER 64 N -1.66 -5.18 0.00 0.00 2.88 -1.26 -4.90 113.62 103.49 1ddb n SER 64 Ca 0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ddb n SER 64 Cb 0.00 -3.01 0.00 0.00 -0.75 0.00 0.00 64.21 60.45 1ddb n SER 64 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ddb n ARG 65 N -2.94 0.00 -2.88 -1.46 5.12 -1.26 -5.09 116.66 108.15 1ddb n ARG 65 Ca -0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 1ddb n ARG 65 Cb 0.60 -0.12 -0.02 0.00 -1.16 0.00 0.00 32.46 31.77 1ddb n ARG 65 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ddb n SER 66 N -1.75 -5.00 -0.03 0.55 2.88 -1.26 -4.99 113.62 104.02 1ddb n SER 66 Ca 0.00 1.08 -0.02 0.00 -1.33 0.00 0.00 58.87 58.61 1ddb n SER 66 Cb 0.00 -3.44 -0.01 0.00 -0.75 0.00 0.00 64.21 60.01 1ddb n SER 66 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1ddb h PHE 67 N 4.20 0.00 -6.63 0.66 0.04 -2.03 -3.49 116.94 109.70 1ddb h PHE 67 Ca -0.20 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.12 1ddb h PHE 67 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1ddb h PHE 67 CO 0.00 0.00 -0.98 0.09 -0.60 0.00 0.00 178.31 176.82 1ddb n ASN 68 N -3.31 -5.07 -3.66 2.17 4.13 -1.26 -4.95 115.26 103.30 1ddb n ASN 68 Ca -0.03 -0.92 -0.03 0.00 1.68 0.00 0.00 54.58 55.29 1ddb n ASN 68 Cb 0.09 -2.05 -0.01 0.00 -1.54 0.00 0.00 39.78 36.28 1ddb n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ddb s GLN 69 N -4.99 1.24 0.00 3.52 -2.07 -1.26 -5.09 119.66 111.01 1ddb s GLN 69 Ca 0.05 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 1ddb s GLN 69 Cb -0.03 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 1ddb s GLN 69 CO 0.89 -0.57 0.00 0.41 -1.32 0.00 0.00 175.29 174.70 1ddb n GLY 70 N -0.51 -0.01 2.62 2.60 0.00 -1.26 -5.03 105.19 103.60 1ddb n GLY 70 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1ddb n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ddb s ARG 71 N -1.85 0.98 0.33 1.61 1.70 -1.26 -5.14 118.95 115.33 1ddb s ARG 71 Ca 0.00 -1.48 0.09 0.00 -0.47 0.00 0.00 55.73 53.87 1ddb s ARG 71 Cb 0.00 -0.64 -0.05 0.00 -0.57 0.00 0.00 34.95 33.68 1ddb s ARG 71 CO 0.00 -1.35 -0.00 0.96 -1.08 0.00 0.00 175.30 173.83 1ddb s ILE 72 N 0.58 2.63 0.27 4.99 -4.36 -1.26 -5.13 121.20 118.92 1ddb s ILE 72 Ca 0.30 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.54 1ddb s ILE 72 Cb 0.01 -2.77 -0.08 0.00 1.25 0.00 0.00 42.46 40.86 1ddb s ILE 72 CO -0.11 -0.22 0.69 -1.83 0.24 0.00 0.00 174.94 173.72 1ddb s GLU 73 N -3.70 4.04 0.08 0.37 -1.05 -1.26 -5.08 118.70 112.10 1ddb s GLU 73 Ca 0.34 0.65 -0.01 0.00 -0.15 0.00 0.00 54.97 55.80 1ddb s GLU 73 Cb -0.00 -2.62 0.02 0.00 -0.44 0.00 0.00 34.13 31.09 1ddb s GLU 73 CO 0.19 0.27 0.09 -0.35 0.95 0.00 0.00 175.26 176.41 1ddb n PRO 74 N 0.05 -0.63 -4.24 -4.83 -0.04 -1.26 -5.11 135.00 118.94 1ddb n PRO 74 Ca 0.01 -0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 1ddb n PRO 74 Cb 0.52 -0.11 -0.10 0.00 -0.04 0.00 0.00 33.50 33.77 1ddb n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ddb s ASP 75 N -1.55 0.90 0.28 3.54 1.11 -1.26 -5.17 116.67 114.52 1ddb s ASP 75 Ca 0.06 -1.26 0.06 0.00 0.18 0.00 0.00 52.55 51.58 1ddb s ASP 75 Cb -0.00 0.20 -0.06 0.00 1.07 0.00 0.00 42.92 44.13 1ddb s ASP 75 CO 0.04 -0.68 -0.04 -0.94 1.18 0.00 0.00 175.17 174.74 1ddb s SER 76 N -3.19 2.55 -0.18 0.27 1.04 -1.26 -5.09 113.70 107.85 1ddb s SER 76 Ca 0.30 -1.22 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 1ddb s SER 76 Cb 0.07 -0.13 -0.07 0.00 0.10 0.00 0.00 66.02 65.99 1ddb s SER 76 CO 0.07 -0.40 -0.23 -0.62 0.98 0.00 0.00 173.24 173.04 1ddb n GLU 77 N -0.56 0.51 0.00 4.02 4.71 -1.26 -5.08 120.64 122.98 1ddb n GLU 77 Ca -0.05 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1ddb n GLU 77 Cb 0.64 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1ddb n GLU 77 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1ddb n SER 78 N -4.49 -3.35 -1.53 1.62 7.64 -1.26 -5.01 113.62 107.25 1ddb n SER 78 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ddb n SER 78 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1ddb n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n GLN 79 N -0.67 -4.34 0.00 1.43 1.13 -1.26 -4.76 117.38 108.92 1ddb n GLN 79 Ca 0.00 3.19 0.00 0.00 -1.94 0.00 0.00 57.00 58.25 1ddb n GLN 79 Cb 0.00 -3.55 0.00 0.00 0.11 0.00 0.00 30.24 26.80 1ddb n GLN 79 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1ddb n GLU 80 N -0.35 0.00 -0.89 -1.09 1.02 -1.26 -4.83 120.64 113.24 1ddb n GLU 80 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1ddb n GLU 80 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1ddb n GLU 80 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ddb n GLU 81 N 0.00 0.27 0.00 3.49 4.71 -1.26 -5.03 120.64 122.82 1ddb n GLU 81 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 57.16 56.58 1ddb n GLU 81 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 31.44 30.24 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1ddb n ILE 82 N -1.88 0.00 -0.34 -3.67 2.08 -1.26 -4.17 119.36 110.12 1ddb n ILE 82 Ca 0.04 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.47 1ddb n ILE 82 Cb 0.13 0.00 0.33 0.00 -0.75 0.00 0.00 39.64 39.35 1ddb n ILE 82 CO 0.00 0.00 0.00 -0.29 0.56 0.00 0.00 176.55 176.82 1ddb h ILE 83 N 0.00 0.78 -0.88 1.39 -0.00 -1.99 0.36 117.51 117.16 1ddb h ILE 83 Ca 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 64.86 64.58 1ddb h ILE 83 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 36.82 36.70 1ddb h ILE 83 CO 0.00 0.14 0.49 0.45 -0.00 0.00 0.00 178.15 179.23 1ddb h HIS 84 N 0.79 1.20 -0.01 2.19 3.86 -1.94 -0.92 115.15 120.32 1ddb h HIS 84 Ca 0.53 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.74 1ddb h HIS 84 Cb 0.79 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 1ddb h HIS 84 CO -0.00 0.82 -0.11 -0.97 0.86 0.00 0.00 177.93 178.53 1ddb h ASN 85 N 1.23 -0.33 0.10 2.45 -1.24 -0.48 0.60 115.58 117.92 1ddb h ASN 85 Ca 0.31 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.36 1ddb h ASN 85 Cb 0.02 0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 1ddb h ASN 85 CO -0.05 -0.16 -0.04 0.16 -1.29 0.00 0.00 177.43 176.05 1ddb h ILE 86 N -0.19 0.59 0.74 2.57 3.07 -0.96 0.15 117.51 123.48 1ddb h ILE 86 Ca 0.04 -0.17 -0.04 0.00 1.55 0.00 0.00 64.86 66.25 1ddb h ILE 86 Cb 0.24 1.11 0.01 0.00 -0.27 0.00 0.00 36.82 37.91 1ddb h ILE 86 CO -0.12 0.04 -0.36 0.00 -1.05 0.00 0.00 178.15 176.67 1ddb h ALA 87 N 1.96 -1.19 -0.34 0.16 0.00 0.50 0.15 119.26 120.49 1ddb h ALA 87 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ddb h ALA 87 Cb 0.10 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ddb h ALA 87 CO 0.01 -1.12 0.12 0.07 0.00 0.00 0.00 179.25 178.33 1ddb h ARG 88 N -1.05 0.53 -0.16 0.00 0.11 -1.03 -1.60 114.38 111.17 1ddb h ARG 88 Ca -0.10 -0.11 0.05 0.00 0.10 0.00 0.00 59.98 59.92 1ddb h ARG 88 Cb 0.76 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 1ddb h ARG 88 CO 0.17 0.54 0.29 1.25 0.10 0.00 0.00 179.97 182.31 1ddb h HIS 89 N 0.40 0.00 0.42 4.08 2.76 -0.71 -1.92 115.15 120.19 1ddb h HIS 89 Ca 0.11 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1ddb h HIS 89 Cb 0.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1ddb h HIS 89 CO 0.00 0.00 -0.33 1.25 -1.30 0.00 0.00 177.93 177.55 1ddb h LEU 90 N 0.00 -0.89 -0.45 0.26 5.85 0.09 0.25 115.31 120.42 1ddb h LEU 90 Ca 0.08 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1ddb h LEU 90 Cb 0.65 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1ddb h LEU 90 CO -0.00 -0.47 -0.00 0.00 -0.34 0.00 0.00 178.44 177.63 1ddb h ALA 91 N -1.29 0.41 -0.68 1.25 0.00 -1.44 0.11 119.26 117.62 1ddb h ALA 91 Ca -0.06 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1ddb h ALA 91 Cb 0.61 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1ddb h ALA 91 CO 0.01 -0.39 0.10 0.37 0.00 0.00 0.00 179.25 179.34 1ddb h GLN 92 N 0.11 0.20 0.00 0.00 4.15 -1.21 0.96 115.11 119.32 1ddb h GLN 92 Ca 0.22 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 1ddb h GLN 92 Cb 0.32 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1ddb h GLN 92 CO -0.37 0.13 -0.19 -0.84 -1.93 0.00 0.00 178.83 175.63 1ddb h ILE 93 N 0.20 0.60 0.42 2.39 3.07 0.12 -2.54 117.51 121.78 1ddb h ILE 93 Ca 0.37 -0.86 -0.02 0.00 1.55 0.00 0.00 64.86 65.90 1ddb h ILE 93 Cb 0.61 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1ddb h ILE 93 CO -0.51 0.18 -0.20 1.23 -1.05 0.00 0.00 178.15 177.80 1ddb h GLY 94 N 1.42 -0.60 0.97 0.16 0.00 0.33 1.34 103.07 106.69 1ddb h GLY 94 Ca -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1ddb h GLY 94 CO 0.02 -0.22 0.20 -1.80 0.00 0.00 0.00 176.54 174.75 1ddb h ASP 95 N -0.65 0.46 -0.76 0.19 3.58 -1.24 -2.41 116.42 115.60 1ddb h ASP 95 Ca -0.06 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1ddb h ASP 95 Cb 0.48 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1ddb h ASP 95 CO 0.10 0.42 0.33 -0.08 -2.88 0.00 0.00 179.24 177.13 1ddb h GLU 96 N 0.47 1.12 -0.61 0.28 4.81 -1.34 -2.74 114.58 116.57 1ddb h GLU 96 Ca 0.13 -0.18 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1ddb h GLU 96 Cb 0.06 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.16 1ddb h GLU 96 CO -0.02 0.89 0.14 0.52 -0.73 0.00 0.00 179.01 179.81 1ddb h MET 97 N 1.09 0.26 -1.86 1.92 2.86 0.22 0.14 114.93 119.57 1ddb h MET 97 Ca 0.26 -0.02 0.54 0.00 -2.06 0.00 0.00 59.70 58.42 1ddb h MET 97 Cb 0.17 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 1ddb h MET 97 CO -0.03 0.17 1.34 -3.47 1.06 0.00 0.00 176.91 175.98 1ddb n ASP 98 N -5.12 0.01 -0.29 1.22 2.03 -0.96 0.12 116.55 113.56 1ddb n ASP 98 Ca 0.09 0.95 0.08 0.00 0.52 0.00 0.00 54.79 56.43 1ddb n ASP 98 Cb 0.33 -0.48 0.19 0.00 -0.72 0.00 0.00 41.12 40.44 1ddb n ASP 98 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1ddb h HIS 99 N 0.00 -0.10 -2.13 -0.67 3.86 -0.85 -3.27 115.15 112.00 1ddb h HIS 99 Ca 0.89 0.06 -0.47 0.00 -1.16 0.00 0.00 60.37 59.70 1ddb h HIS 99 Cb 3.56 0.18 -0.34 0.00 1.06 0.00 0.00 27.41 31.87 1ddb h HIS 99 CO -0.00 -0.31 -0.80 -0.80 0.86 0.00 0.00 177.93 176.88 1ddb s ASN 100 N -5.15 1.40 -0.76 2.45 -0.87 0.33 -5.05 114.94 107.28 1ddb s ASN 100 Ca -0.13 -2.22 0.01 0.00 -1.57 0.00 0.00 52.86 48.94 1ddb s ASN 100 Cb 0.25 0.15 0.19 0.00 -0.02 0.00 0.00 41.25 41.82 1ddb s ASN 100 CO 0.76 -0.22 0.59 -0.51 -2.57 0.00 0.00 177.10 175.15 1ddb s ILE 101 N 0.84 3.64 0.00 0.60 1.10 -1.22 -4.65 121.20 121.51 1ddb s ILE 101 Ca 0.24 -3.81 0.00 0.00 -0.51 0.00 0.00 60.65 56.57 1ddb s ILE 101 Cb -0.09 -3.33 0.00 0.00 0.15 0.00 0.00 42.46 39.19 1ddb s ILE 101 CO -0.07 -1.00 0.00 1.67 -2.11 0.00 0.00 174.94 173.42 1ddb n GLN 102 N 2.47 0.00 0.00 3.50 7.27 -1.26 -4.65 117.38 124.72 1ddb n GLN 102 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1ddb n GLN 102 Cb 0.36 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.01 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1ddb n PRO 103 N 0.00 0.75 0.00 3.69 -0.04 -1.26 -3.95 135.00 134.19 1ddb n PRO 103 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 103 Cb 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1ddb n PRO 103 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ddb n THR 104 N -0.41 0.00 0.00 0.52 -1.04 -1.26 -4.93 114.28 107.16 1ddb n THR 104 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ddb n THR 104 Cb 0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ddb n LEU 105 N 0.00 0.00 0.00 -4.42 4.32 -1.25 -5.04 117.00 110.60 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ddb n LEU 105 CO 0.00 0.00 0.36 0.52 -1.22 0.00 0.00 177.39 177.05 1ddb n VAL 106 N -0.70 0.00 0.24 4.08 0.31 -1.26 -2.46 118.33 118.54 1ddb n VAL 106 Ca 0.00 1.20 0.13 0.00 -0.01 0.00 0.00 64.34 65.66 1ddb n VAL 106 Cb 0.00 -2.17 0.69 0.00 -0.91 0.00 0.00 33.84 31.45 1ddb n VAL 106 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1ddb h ARG 107 N 0.00 0.00 -0.17 5.55 -0.00 -1.94 -0.63 114.38 117.19 1ddb h ARG 107 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ddb h ARG 107 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 1ddb h ARG 107 CO 0.00 0.00 0.09 0.37 -0.00 0.00 0.00 179.97 180.43 1ddb h GLN 108 N 0.00 0.24 0.68 0.08 -0.00 -1.81 0.57 115.11 114.87 1ddb h GLN 108 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 1ddb h GLN 108 Cb 0.37 -0.05 0.01 0.00 0.00 0.00 0.00 27.48 27.81 1ddb h GLN 108 CO 0.00 0.24 -0.33 1.37 0.00 0.00 0.00 178.83 180.12 1ddb h LEU 109 N 0.17 -0.77 -1.41 -2.39 8.10 -0.78 -0.40 115.31 117.83 1ddb h LEU 109 Ca 0.06 0.03 0.25 0.00 0.11 0.00 0.00 57.88 58.32 1ddb h LEU 109 Cb 0.07 0.20 -0.08 0.00 -0.44 0.00 0.00 40.66 40.41 1ddb h LEU 109 CO -0.01 -0.47 0.65 0.00 -4.11 0.00 0.00 178.44 174.51 1ddb h ALA 110 N -1.41 2.23 0.00 0.17 0.00 -1.55 2.03 119.26 120.73 1ddb h ALA 110 Ca -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ddb h ALA 110 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ddb h ALA 110 CO 0.15 -0.60 -0.20 0.00 0.00 0.00 0.00 179.25 178.60 1ddb h ALA 111 N 1.61 1.10 -0.09 0.00 0.00 0.41 -2.85 119.26 119.44 1ddb h ALA 111 Ca 0.56 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1ddb h ALA 111 Cb 1.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1ddb h ALA 111 CO -0.25 0.25 -0.09 -0.56 0.00 0.00 0.00 179.25 178.60 1ddb h GLN 112 N 0.00 -0.11 -0.50 0.00 3.07 0.50 -2.48 115.11 115.60 1ddb h GLN 112 Ca -0.00 0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 1ddb h GLN 112 Cb 0.62 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 1ddb h GLN 112 CO 0.03 -0.07 -0.18 0.27 0.09 0.00 0.00 178.83 178.97 1ddb h PHE 113 N -0.11 1.12 -0.04 0.06 -5.15 -1.46 -3.39 116.94 107.97 1ddb h PHE 113 Ca 0.07 -0.26 -0.06 0.00 -0.20 0.00 0.00 57.97 57.53 1ddb h PHE 113 Cb 0.21 -0.27 0.01 0.00 0.22 0.00 0.00 35.95 36.12 1ddb h PHE 113 CO -0.20 1.07 0.53 -0.12 -2.00 0.00 0.00 178.31 177.59 1ddb n MET 114 N -4.12 0.04 0.00 6.09 1.56 -0.93 -4.62 117.12 115.14 1ddb n MET 114 Ca 0.01 -0.90 0.00 0.00 -0.27 0.00 0.00 57.70 56.53 1ddb n MET 114 Cb 0.44 -2.54 0.00 0.00 2.15 0.00 0.00 33.22 33.27 1ddb n MET 114 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1ddb n ASN 115 N 12.25 0.00 0.00 6.12 2.85 -1.26 -4.98 115.26 130.24 1ddb n ASN 115 Ca 0.24 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 1ddb n ASN 115 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddb n GLY 116 N 0.00 0.50 2.73 8.20 0.00 -1.26 -4.69 105.19 110.67 1ddb n GLY 116 Ca 0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 1ddb n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 117 N -3.62 -1.03 -0.01 1.61 1.04 -1.26 -5.05 113.70 105.38 1ddb s SER 117 Ca 0.00 -1.89 -0.01 0.00 0.48 0.00 0.00 55.95 54.54 1ddb s SER 117 Cb 0.00 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.68 1ddb s SER 117 CO 0.00 -0.07 0.02 -0.11 0.98 0.00 0.00 173.24 174.05 1ddb n LEU 118 N 3.00 -2.33 -4.81 2.42 0.00 -1.26 -5.00 117.00 109.03 1ddb n LEU 118 Ca 0.19 0.19 -0.25 0.00 0.00 0.00 0.00 56.01 56.14 1ddb n LEU 118 Cb 0.55 -1.18 -0.05 0.00 0.00 0.00 0.00 43.42 42.74 1ddb n LEU 118 CO -0.00 -0.29 -0.20 -0.55 0.00 0.00 0.00 177.39 176.34 1ddb s SER 119 N -0.05 5.52 -0.85 1.96 0.15 0.15 -4.40 113.70 116.18 1ddb s SER 119 Ca -0.02 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1ddb s SER 119 Cb 0.00 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1ddb s SER 119 CO 0.05 0.04 0.00 1.21 1.20 0.00 0.00 173.24 175.74 1ddb n GLU 120 N -0.57 -1.75 -2.52 5.44 0.00 -1.26 -0.61 120.64 119.36 1ddb n GLU 120 Ca -0.08 0.48 -0.08 0.00 0.00 0.00 0.00 57.16 57.47 1ddb n GLU 120 Cb 0.56 -4.82 0.04 0.00 0.00 0.00 0.00 31.44 27.21 1ddb n GLU 120 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ddb n GLU 121 N -2.09 -1.69 -3.19 5.31 2.13 -1.26 -4.99 120.64 114.87 1ddb n GLU 121 Ca -0.10 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1ddb n GLU 121 Cb 0.42 -3.97 0.00 0.00 0.27 0.00 0.00 31.44 28.16 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1ddb n ASP 122 N -2.40 0.00 -3.72 4.31 5.68 0.22 -5.14 116.55 115.51 1ddb n ASP 122 Ca -0.06 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.11 1ddb n ASP 122 Cb 0.57 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.42 1ddb n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1ddb s LYS 123 N -1.85 0.23 0.00 0.11 -0.14 -1.26 0.31 119.74 117.14 1ddb s LYS 123 Ca 0.00 0.59 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 1ddb s LYS 123 Cb 0.00 -0.10 0.00 0.00 -1.68 0.00 0.00 37.83 36.05 1ddb s LYS 123 CO 0.00 -0.17 0.00 -2.13 -0.76 0.00 0.00 175.35 172.29 1ddb n ARG 124 N 4.33 0.00 -0.12 1.68 0.63 -1.26 -4.90 116.66 117.02 1ddb n ARG 124 Ca -0.24 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.58 1ddb n ARG 124 Cb 0.53 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.42 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1ddb h ASN 125 N 0.00 0.71 0.19 6.15 -1.24 -1.93 0.30 115.58 119.77 1ddb h ASN 125 Ca 0.00 -0.37 0.01 0.00 0.71 0.00 0.00 56.30 56.65 1ddb h ASN 125 Cb 0.00 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 1ddb h ASN 125 CO 0.00 0.92 -0.48 0.00 -1.29 0.00 0.00 177.43 176.58 1ddb h LEU 127 N -0.76 -0.92 -1.91 0.00 -0.00 -1.91 -1.77 115.31 108.04 1ddb h LEU 127 Ca -0.00 0.04 0.33 0.00 -0.00 0.00 0.00 57.88 58.24 1ddb h LEU 127 Cb 0.75 0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 41.61 1ddb h LEU 127 CO -0.23 -0.62 0.81 0.00 -0.00 0.00 0.00 178.44 178.40 1ddb h ALA 128 N -1.45 2.97 0.00 1.53 0.00 -0.23 1.94 119.26 124.02 1ddb h ALA 128 Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ddb h ALA 128 Cb 0.79 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ddb h ALA 128 CO 0.14 -1.31 -0.04 -0.22 0.00 0.00 0.00 179.25 177.82 1ddb h LYS 129 N 0.05 0.00 -0.14 0.00 3.64 0.52 -1.09 116.57 119.55 1ddb h LYS 129 Ca 0.56 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.73 1ddb h LYS 129 Cb 2.11 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.94 1ddb h LYS 129 CO -0.05 0.04 -0.73 0.00 -2.27 0.00 0.00 179.45 176.44 1ddb h ALA 130 N 1.96 0.28 -0.73 5.00 0.00 0.34 -2.89 119.26 123.22 1ddb h ALA 130 Ca -0.00 -0.58 0.16 0.00 0.00 0.00 0.00 54.91 54.49 1ddb h ALA 130 Cb 0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 1ddb h ALA 130 CO 0.00 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 181.11 1ddb h LEU 131 N 0.45 -0.37 0.45 0.00 7.12 -0.97 1.01 115.31 123.00 1ddb h LEU 131 Ca -0.05 0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 1ddb h LEU 131 Cb 1.36 0.34 0.00 0.00 -0.53 0.00 0.00 40.66 41.84 1ddb h LEU 131 CO 0.15 -0.17 -0.21 -0.78 -0.13 0.00 0.00 178.44 177.29 1ddb h ASP 132 N 0.09 -0.51 0.13 1.25 3.58 -1.51 1.10 116.42 120.56 1ddb h ASP 132 Ca 0.39 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.81 1ddb h ASP 132 Cb 0.67 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1ddb h ASP 132 CO -0.65 -0.29 -0.43 -0.33 -2.88 0.00 0.00 179.24 174.67 1ddb h GLU 133 N -0.70 -0.61 -0.78 0.28 3.07 -0.78 0.23 114.58 115.28 1ddb h GLU 133 Ca -0.06 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1ddb h GLU 133 Cb 0.51 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.51 1ddb h GLU 133 CO 0.10 -0.41 0.51 -0.24 -1.40 0.00 0.00 179.01 177.57 1ddb h VAL 134 N -0.64 1.04 -0.08 3.13 3.04 0.95 0.54 116.25 124.23 1ddb h VAL 134 Ca -0.01 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1ddb h VAL 134 Cb 0.63 0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1ddb h VAL 134 CO -0.21 0.15 0.00 0.29 -1.01 0.00 0.00 177.57 176.79 1ddb n LYS 135 N -4.48 1.53 0.00 4.17 4.76 0.38 -1.47 118.16 123.05 1ddb n LYS 135 Ca 0.11 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1ddb n LYS 135 Cb 0.21 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1ddb n LYS 135 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1ddb n THR 136 N 0.08 0.00 -0.06 -0.18 5.66 0.17 -4.70 114.28 115.25 1ddb n THR 136 Ca 0.04 -0.08 -0.12 0.00 -3.05 0.00 0.00 64.05 60.84 1ddb n THR 136 Cb 0.38 0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 70.11 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddb n ALA 137 N -0.15 2.27 -2.97 1.79 0.00 0.04 -4.80 120.51 116.69 1ddb n ALA 137 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1ddb n ALA 137 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 1ddb n ALA 137 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ddb n PHE 138 N -3.51 3.82 -2.53 0.00 3.72 -0.54 -5.07 117.46 113.36 1ddb n PHE 138 Ca -0.22 -3.82 -0.37 0.00 -0.05 0.00 0.00 57.45 53.00 1ddb n PHE 138 Cb 0.65 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ddb s PRO 139 N -3.44 4.17 0.00 -1.08 0.04 -1.25 -4.20 135.00 129.24 1ddb s PRO 139 Ca 0.46 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ddb s PRO 139 Cb 0.25 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1ddb s PRO 139 CO -0.12 -0.14 0.00 0.54 0.04 0.00 0.00 177.00 177.33 1ddb n ARG 140 N -0.02 -0.14 0.00 4.56 1.74 -1.26 -4.72 116.66 116.82 1ddb n ARG 140 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ddb n ARG 140 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ddb n ASP 141 N 0.07 0.00 0.01 0.55 5.68 -1.26 -3.84 116.55 117.75 1ddb n ASP 141 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1ddb n ASP 141 Cb 0.00 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.17 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1ddb h MET 142 N 0.00 0.50 0.64 0.11 1.85 -2.00 0.58 114.93 116.62 1ddb h MET 142 Ca 0.00 -0.20 -0.03 0.00 -0.61 0.00 0.00 59.70 58.86 1ddb h MET 142 Cb 0.00 -0.03 0.01 0.00 0.43 0.00 0.00 31.60 32.01 1ddb h MET 142 CO 0.00 0.73 -0.31 0.93 -0.40 0.00 0.00 176.91 177.86 1ddb h GLU 143 N 0.44 -0.83 0.65 0.39 5.08 -1.97 -0.37 114.58 117.97 1ddb h GLU 143 Ca 0.06 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ddb h GLU 143 Cb 0.69 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.14 1ddb h GLU 143 CO 0.05 -0.52 -0.31 -0.97 -1.00 0.00 0.00 179.01 176.26 1ddb h ASN 144 N -1.14 -0.74 -0.97 1.42 -1.24 -1.72 0.11 115.58 111.29 1ddb h ASN 144 Ca -0.09 0.03 0.17 0.00 0.71 0.00 0.00 56.30 57.12 1ddb h ASN 144 Cb 0.70 0.19 -0.17 0.00 0.73 0.00 0.00 38.32 39.77 1ddb h ASN 144 CO 0.15 -0.38 -0.31 0.44 -1.29 0.00 0.00 177.43 176.03 1ddb h ASP 145 N -1.19 -1.16 0.45 1.15 3.32 0.07 3.96 116.42 123.02 1ddb h ASP 145 Ca -0.09 0.30 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1ddb h ASP 145 Cb 0.67 0.68 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1ddb h ASP 145 CO 0.15 -0.31 -0.20 0.50 -1.72 0.00 0.00 179.24 177.66 1ddb h LYS 146 N -0.01 0.00 0.40 3.56 3.64 -1.03 -2.48 116.57 120.65 1ddb h LYS 146 Ca 0.40 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1ddb h LYS 146 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ddb h LYS 146 CO -0.99 0.20 -0.19 0.00 -2.27 0.00 0.00 179.45 176.20 1ddb h ALA 147 N 1.80 -0.54 0.06 5.00 0.00 1.01 0.16 119.26 126.74 1ddb h ALA 147 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ddb h ALA 147 Cb 0.49 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ddb h ALA 147 CO 0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 179.25 178.34 1ddb h MET 148 N -0.71 -0.36 -0.97 0.00 -0.00 -0.50 -1.46 114.93 110.92 1ddb h MET 148 Ca -0.05 0.02 0.10 0.00 -0.00 0.00 0.00 59.70 59.77 1ddb h MET 148 Cb 0.50 0.08 -0.08 0.00 -0.00 0.00 0.00 31.60 32.11 1ddb h MET 148 CO 0.09 -0.24 0.60 1.37 -0.00 0.00 0.00 176.91 178.73 1ddb h LEU 149 N -0.38 0.90 -1.98 -0.10 8.10 -1.44 0.37 115.31 120.78 1ddb h LEU 149 Ca 0.04 0.04 0.13 0.00 0.11 0.00 0.00 57.88 58.20 1ddb h LEU 149 Cb 0.43 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.49 1ddb h LEU 149 CO -0.16 0.50 0.32 0.40 -4.11 0.00 0.00 178.44 175.39 1ddb h ILE 150 N 0.99 0.79 0.61 0.15 2.04 0.35 -1.89 117.51 120.55 1ddb h ILE 150 Ca 0.46 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 66.29 1ddb h ILE 150 Cb 0.40 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1ddb h ILE 150 CO -0.24 0.00 -0.29 0.24 0.00 0.00 0.00 178.15 177.86 1ddb h MET 151 N 0.02 -0.79 -0.74 2.37 2.86 0.39 0.58 114.93 119.63 1ddb h MET 151 Ca 0.21 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.04 1ddb h MET 151 Cb 0.83 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.53 1ddb h MET 151 CO -0.01 -0.48 -0.27 1.79 1.06 0.00 0.00 176.91 178.99 1ddb h THR 152 N -0.96 0.17 0.00 2.22 1.35 -1.25 1.22 112.91 115.65 1ddb h THR 152 Ca -0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.74 1ddb h THR 152 Cb 0.67 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 1ddb h THR 152 CO 0.14 0.00 -0.18 0.00 -0.25 0.00 0.00 175.52 175.22 1ddb h MET 153 N -0.06 0.00 0.16 4.72 3.00 -1.45 -2.92 114.93 118.39 1ddb h MET 153 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 60.01 1ddb h MET 153 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.17 1ddb h MET 153 CO -0.78 0.18 -0.08 1.25 0.00 0.00 0.00 176.91 177.48 1ddb h LEU 154 N 0.00 -0.18 -0.61 -0.10 7.12 0.39 1.04 115.31 122.96 1ddb h LEU 154 Ca -0.00 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.11 1ddb h LEU 154 Cb 0.51 0.05 -0.09 0.00 -0.53 0.00 0.00 40.66 40.61 1ddb h LEU 154 CO 0.02 -0.11 0.16 -0.07 -0.13 0.00 0.00 178.44 178.30 1ddb h LEU 155 N -0.24 0.05 0.29 2.25 -0.00 -1.09 0.18 115.31 116.75 1ddb h LEU 155 Ca -0.02 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1ddb h LEU 155 Cb 0.18 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1ddb h LEU 155 CO 0.04 0.03 -0.14 0.00 -0.00 0.00 0.00 178.44 178.37 1ddb h ALA 156 N 1.48 -0.39 -0.90 1.53 0.00 -1.43 1.55 119.26 121.10 1ddb h ALA 156 Ca 0.32 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.30 1ddb h ALA 156 Cb 0.47 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 18.26 1ddb h ALA 156 CO -0.39 -0.57 0.10 -0.22 0.00 0.00 0.00 179.25 178.17 1ddb h LYS 157 N -0.69 0.09 0.04 0.00 3.11 0.19 0.11 116.57 119.42 1ddb h LYS 157 Ca -0.04 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1ddb h LYS 157 Cb 0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1ddb h LYS 157 CO 0.07 0.06 -0.02 0.87 -2.81 0.00 0.00 179.45 177.61 1ddb h LYS 158 N 0.09 -0.06 -6.24 1.90 1.79 -0.52 -2.91 116.57 110.63 1ddb h LYS 158 Ca 0.55 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.56 1ddb h LYS 158 Cb 1.10 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1ddb h LYS 158 CO -0.77 0.57 -0.39 0.08 -1.08 0.00 0.00 179.45 177.85 1ddb s VAL 159 N -2.62 5.20 0.00 0.50 1.01 0.53 0.33 120.40 125.35 1ddb s VAL 159 Ca -0.14 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1ddb s VAL 159 Cb -0.01 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1ddb s VAL 159 CO 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1ddb n ALA 160 N -1.47 0.00 0.87 5.51 0.00 0.60 -3.48 120.51 122.55 1ddb n ALA 160 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1ddb n ALA 160 Cb 0.57 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 1ddb n ALA 160 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddb n SER 161 N 0.63 0.46 0.00 0.00 2.88 0.20 -4.50 113.62 113.30 1ddb n SER 161 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1ddb n SER 161 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1ddb n SER 161 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ddb n HIS 162 N -1.70 0.00 -3.92 0.66 -0.00 -0.95 -4.87 115.22 104.45 1ddb n HIS 162 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.46 1ddb n HIS 162 Cb 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.22 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb s ALA 163 N -1.00 3.27 -0.93 -1.41 0.00 0.99 -4.85 121.76 117.82 1ddb s ALA 163 Ca 0.00 -3.09 -0.24 0.00 0.00 0.00 0.00 51.96 48.63 1ddb s ALA 163 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1ddb s ALA 163 CO 0.00 -1.96 1.68 -1.25 0.00 0.00 0.00 175.76 174.23 1ddb s PRO 164 N 0.05 3.07 0.24 0.00 0.04 -1.26 0.22 135.00 137.35 1ddb s PRO 164 Ca 0.15 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1ddb s PRO 164 Cb -0.23 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1ddb s PRO 164 CO -0.02 -2.74 0.00 0.43 0.04 0.00 0.00 177.00 174.70 1ddb n SER 165 N 11.33 -0.41 -3.06 6.66 7.64 -1.26 -4.94 113.62 129.58 1ddb n SER 165 Ca 0.34 0.41 -0.26 0.00 1.01 0.00 0.00 58.87 60.36 1ddb n SER 165 Cb 0.49 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 64.20 1ddb n SER 165 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ddb n LEU 166 N -3.24 3.97 -0.07 -3.43 7.94 -1.26 -4.92 117.00 115.98 1ddb n LEU 166 Ca 0.00 -5.57 -0.12 0.00 -1.11 0.00 0.00 56.01 49.21 1ddb n LEU 166 Cb 0.00 -0.45 -0.08 0.00 0.53 0.00 0.00 43.42 43.41 1ddb n LEU 166 CO 0.00 2.29 0.50 0.17 -1.11 0.00 0.00 177.39 179.24 1ddb h LEU 167 N 3.24 -1.52 -0.99 -1.96 8.10 -1.93 0.20 115.31 120.44 1ddb h LEU 167 Ca 0.14 0.19 0.29 0.00 0.11 0.00 0.00 57.88 58.61 1ddb h LEU 167 Cb 0.58 0.61 -0.18 0.00 -0.44 0.00 0.00 40.66 41.22 1ddb h LEU 167 CO 0.79 -0.37 0.08 0.08 -4.11 0.00 0.00 178.44 174.91 1ddb h ARG 168 N -0.41 0.01 -0.70 0.17 -0.00 -1.91 2.24 114.38 113.77 1ddb h ARG 168 Ca 0.04 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.97 1ddb h ARG 168 Cb 0.54 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.47 1ddb h ARG 168 CO -0.44 0.00 0.22 0.22 -0.00 0.00 0.00 179.97 179.98 1ddb h ASP 169 N 0.01 1.02 0.74 0.08 1.82 -1.18 -0.98 116.42 117.92 1ddb h ASP 169 Ca 0.63 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 57.03 1ddb h ASP 169 Cb 1.35 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 41.10 1ddb h ASP 169 CO -0.91 0.95 -0.35 0.58 -1.61 0.00 0.00 179.24 177.89 1ddb h VAL 170 N 1.03 0.00 -0.75 2.25 2.07 0.62 -1.31 116.25 120.16 1ddb h VAL 170 Ca 0.23 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.78 1ddb h VAL 170 Cb 0.29 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.92 1ddb h VAL 170 CO -0.01 0.00 -0.15 0.15 0.02 0.00 0.00 177.57 177.58 1ddb h PHE 171 N -1.11 -0.33 -0.27 1.57 3.57 -0.03 1.29 116.94 121.62 1ddb h PHE 171 Ca -0.10 0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1ddb h PHE 171 Cb 0.76 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1ddb h PHE 171 CO 0.03 -0.31 0.19 1.25 -2.23 0.00 0.00 178.31 177.24 1ddb h HIS 172 N 0.02 0.18 -0.42 0.41 2.76 -1.11 -1.76 115.15 115.22 1ddb h HIS 172 Ca 0.37 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.63 1ddb h HIS 172 Cb 0.59 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.42 1ddb h HIS 172 CO -0.56 0.10 -0.02 1.15 -1.30 0.00 0.00 177.93 177.29 1ddb h THR 173 N 0.18 0.65 0.58 6.26 2.02 0.29 1.90 112.91 124.80 1ddb h THR 173 Ca 0.12 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1ddb h THR 173 Cb 0.25 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1ddb h THR 173 CO -0.02 0.02 -0.31 0.71 0.37 0.00 0.00 175.52 176.28 1ddb h THR 174 N 0.08 0.00 0.00 3.16 1.35 -1.14 -1.50 112.91 114.86 1ddb h THR 174 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1ddb h THR 174 Cb 0.31 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1ddb h THR 174 CO -0.37 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.42 1ddb n VAL 175 N -4.32 0.00 0.10 6.82 0.31 -1.09 -3.17 118.33 116.98 1ddb n VAL 175 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 1ddb n VAL 175 Cb 0.33 -0.28 -0.06 0.00 -0.91 0.00 0.00 33.84 32.93 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.00 -0.29 0.37 4.52 7.08 0.41 -1.73 115.58 125.95 1ddb h ASN 176 Ca 0.00 -0.17 -0.02 0.00 -3.08 0.00 0.00 56.30 53.03 1ddb h ASN 176 Cb 0.00 0.07 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 1ddb h ASN 176 CO 0.00 0.21 -0.18 -0.26 -2.08 0.00 0.00 177.43 175.13 1ddb h PHE 177 N -1.00 -0.46 -1.00 4.14 -1.00 -1.54 0.13 116.94 116.21 1ddb h PHE 177 Ca -0.03 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 60.93 1ddb h PHE 177 Cb 0.44 0.15 -0.11 0.00 3.61 0.00 0.00 35.95 40.05 1ddb h PHE 177 CO 0.04 -0.16 0.61 0.82 -1.61 0.00 0.00 178.31 178.01 1ddb h ILE 178 N -0.75 0.70 -0.11 -0.55 2.04 -1.72 0.69 117.51 117.81 1ddb h ILE 178 Ca -0.05 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1ddb h ILE 178 Cb 0.51 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1ddb h ILE 178 CO 0.08 0.14 -0.50 -1.13 0.00 0.00 0.00 178.15 176.74 1ddb h ASN 179 N 0.75 0.30 0.00 1.72 -0.73 -1.12 -3.27 115.58 113.24 1ddb h ASN 179 Ca 0.58 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.60 1ddb h ASN 179 Cb 0.91 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.41 1ddb h ASN 179 CO -0.39 0.76 0.00 0.00 -0.37 0.00 0.00 177.43 177.43 1ddb n GLN 180 N -3.96 3.02 -0.09 6.67 10.64 0.24 -1.20 117.38 132.71 1ddb n GLN 180 Ca -0.02 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.05 1ddb n GLN 180 Cb 0.55 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.77 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1ddb n ASN 181 N 0.00 0.32 -0.02 2.61 5.15 -1.01 -3.99 115.26 118.32 1ddb n ASN 181 Ca 0.00 0.07 0.15 0.00 -0.60 0.00 0.00 54.58 54.21 1ddb n ASN 181 Cb 0.00 0.68 0.85 0.00 -0.53 0.00 0.00 39.78 40.79 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ddb n LEU 182 N -2.85 0.07 0.00 1.20 7.99 -1.26 -4.99 117.00 117.16 1ddb n LEU 182 Ca -0.31 0.08 0.00 0.00 -0.01 0.00 0.00 56.01 55.78 1ddb n LEU 182 Cb 1.13 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 44.33 1ddb n LEU 182 CO 0.42 0.01 0.00 0.33 -1.51 0.00 0.00 177.39 176.64 1ddb n PHE 183 N -1.06 -0.68 -0.58 -1.77 -0.00 -1.19 -4.59 117.46 107.58 1ddb n PHE 183 Ca 0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.50 1ddb n PHE 183 Cb 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 39.77 1ddb n PHE 183 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ddb n SER 184 N -1.61 -2.83 -4.64 -2.13 7.64 -1.25 -4.55 113.62 104.27 1ddb n SER 184 Ca 0.00 -0.31 -0.56 0.00 1.01 0.00 0.00 58.87 59.01 1ddb n SER 184 Cb 0.00 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.42 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n TYR 185 N -4.12 1.94 -0.35 1.43 9.36 -1.26 -4.76 117.16 119.40 1ddb n TYR 185 Ca 0.05 0.47 0.32 0.00 3.32 0.00 0.00 57.90 62.06 1ddb n TYR 185 Cb 0.30 -2.48 0.59 0.00 -0.63 0.00 0.00 39.34 37.12 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1ddb h VAL 186 N 5.71 0.07 -0.18 2.97 3.04 -1.82 1.15 116.25 127.19 1ddb h VAL 186 Ca -0.41 -0.02 0.04 0.00 -1.01 0.00 0.00 66.70 65.30 1ddb h VAL 186 Cb 1.32 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.55 1ddb h VAL 186 CO 0.98 0.01 -0.09 0.03 -1.01 0.00 0.00 177.57 177.49 1ddb h ARG 187 N 0.07 -0.07 -0.92 4.17 2.47 -1.97 0.44 114.38 118.57 1ddb h ARG 187 Ca 0.83 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.68 1ddb h ARG 187 Cb 2.25 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 30.50 1ddb h ARG 187 CO -0.67 -0.05 0.54 -0.91 0.56 0.00 0.00 179.97 179.45 1ddb h ASN 188 N -0.07 0.75 -0.27 7.04 2.35 0.10 0.48 115.58 125.96 1ddb h ASN 188 Ca 0.10 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1ddb h ASN 188 Cb 0.22 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1ddb h ASN 188 CO -0.23 0.37 -0.00 0.25 -1.65 0.00 0.00 177.43 176.18 1ddb h LEU 189 N 0.83 0.47 0.58 1.61 5.85 -0.63 0.69 115.31 124.71 1ddb h LEU 189 Ca 0.47 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ddb h LEU 189 Cb 0.54 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1ddb h LEU 189 CO -0.30 0.67 -0.39 0.58 -0.34 0.00 0.00 178.44 178.66 1ddb h VAL 190 N 0.26 0.20 -0.72 1.05 2.07 0.16 0.16 116.25 119.43 1ddb h VAL 190 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1ddb h VAL 190 Cb 0.43 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1ddb h VAL 190 CO 0.01 0.00 0.48 0.08 0.02 0.00 0.00 177.57 178.16 1ddb h ARG 191 N -0.94 0.95 -0.47 1.57 -0.00 -0.11 -2.27 114.38 113.10 1ddb h ARG 191 Ca -0.07 -0.06 0.08 0.00 -0.00 0.00 0.00 59.98 59.94 1ddb h ARG 191 Cb 0.77 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.97 30.46 1ddb h ARG 191 CO 0.04 0.63 0.07 -0.97 -0.00 0.00 0.00 179.97 179.74 1ddb h ASN 192 N 0.98 -0.05 -6.14 0.08 -1.24 0.75 -3.44 115.58 106.51 1ddb h ASN 192 Ca 0.27 0.09 -0.45 0.00 0.71 0.00 0.00 56.30 56.92 1ddb h ASN 192 Cb -0.11 0.14 -0.24 0.00 0.73 0.00 0.00 38.32 38.84 1ddb h ASN 192 CO -0.06 0.00 -0.66 -1.84 -1.29 0.00 0.00 177.43 173.58 1ddb n GLU 193 N -5.14 -0.84 -3.91 6.67 0.28 0.53 -4.86 120.64 113.37 1ddb n GLU 193 Ca 0.05 0.09 -0.16 0.00 -0.16 0.00 0.00 57.16 56.97 1ddb n GLU 193 Cb 0.24 -3.11 -0.16 0.00 1.43 0.00 0.00 31.44 29.84 1ddb n GLU 193 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1ddb s MET 194 N -5.65 0.23 0.00 3.44 1.75 -1.26 -5.13 119.30 112.67 1ddb s MET 194 Ca 0.42 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.94 1ddb s MET 194 Cb -0.24 -0.41 0.00 0.00 2.84 0.00 0.00 34.83 37.02 1ddb s MET 194 CO 0.73 -0.12 0.15 -0.25 -0.65 0.00 0.00 175.02 174.87