#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb h ASP 2 N 0.00 -0.89 -4.34 7.83 5.19 -2.11 -3.47 116.42 118.63 1ddb h ASP 2 Ca 0.00 0.08 0.18 0.00 -0.62 0.00 0.00 57.03 56.67 1ddb h ASP 2 Cb 0.00 0.30 -0.18 0.00 0.18 0.00 0.00 39.33 39.63 1ddb h ASP 2 CO 0.00 -0.40 0.67 -0.55 -3.12 0.00 0.00 179.24 175.84 1ddb s SER 3 N -3.61 -0.24 0.00 6.45 0.15 -1.26 -5.16 113.70 110.03 1ddb s SER 3 Ca -0.11 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1ddb s SER 3 Cb 0.03 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1ddb s SER 3 CO 0.37 -0.38 0.00 1.21 1.20 0.00 0.00 173.24 175.64 1ddb n GLU 4 N -0.06 0.00 -3.59 5.44 4.07 -1.26 -5.18 120.64 120.06 1ddb n GLU 4 Ca -0.04 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.02 1ddb n GLU 4 Cb 0.60 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.96 1ddb n GLU 4 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ddb s VAL 5 N 0.00 0.00 0.00 6.31 0.11 -1.26 -5.16 120.40 120.40 1ddb s VAL 5 Ca 0.00 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1ddb s VAL 5 Cb 0.00 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 1ddb s VAL 5 CO 0.00 0.00 0.00 -0.24 -3.33 0.00 0.00 175.10 171.53 1ddb n SER 6 N -0.21 -0.23 0.00 3.54 2.88 -1.26 -5.13 113.62 113.22 1ddb n SER 6 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1ddb n SER 6 Cb 0.60 0.80 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1ddb n SER 6 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ddb n ASN 7 N -1.08 0.00 -4.84 -3.46 0.23 -1.26 -5.18 115.26 99.67 1ddb n ASN 7 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 1ddb n ASN 7 Cb 0.00 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 37.78 1ddb n ASN 7 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ddb s GLY 8 N 0.00 1.78 -0.40 4.83 0.00 -1.26 -5.04 107.32 107.23 1ddb s GLY 8 Ca 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 44.72 43.10 1ddb s GLY 8 CO 0.00 -1.24 1.09 1.44 0.00 0.00 0.00 173.10 174.39 1ddb n SER 9 N -2.54 4.13 -0.24 1.64 7.64 -1.26 -5.10 113.62 117.89 1ddb n SER 9 Ca 0.13 -3.52 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1ddb n SER 9 Cb 0.60 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.44 -0.01 3.88 0.23 0.00 -1.26 -4.99 105.19 102.59 1ddb n GLY 10 Ca 0.34 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1ddb n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddb s LEU 11 N 0.00 -0.01 -0.85 0.99 1.43 -1.26 -5.03 118.68 113.96 1ddb s LEU 11 Ca 0.00 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1ddb s LEU 11 Cb 0.00 2.06 -0.08 0.00 0.03 0.00 0.00 46.19 48.20 1ddb s LEU 11 CO 0.00 -0.96 2.34 0.61 0.23 0.00 0.00 176.35 178.57 1ddb n GLY 12 N -0.69 3.14 3.65 -3.19 0.00 -1.26 -4.65 105.19 102.19 1ddb n GLY 12 Ca -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s ALA 13 N 2.85 -2.19 0.00 4.61 0.00 -1.26 -5.03 121.76 120.75 1ddb s ALA 13 Ca 0.45 1.72 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1ddb s ALA 13 Cb 0.14 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1ddb s ALA 13 CO -0.03 -0.13 0.00 0.36 0.00 0.00 0.00 175.76 175.96 1ddb n LYS 14 N 1.53 0.00 -0.24 0.00 2.85 -1.26 -4.96 118.16 116.07 1ddb n LYS 14 Ca -0.09 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.18 1ddb n LYS 14 Cb 0.57 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 35.09 1ddb n LYS 14 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1ddb h HIS 15 N 0.00 0.60 -0.67 5.58 2.07 -1.96 0.32 115.15 121.09 1ddb h HIS 15 Ca 0.00 0.03 0.15 0.00 -2.85 0.00 0.00 60.37 57.70 1ddb h HIS 15 Cb 0.00 -0.16 -0.04 0.00 2.57 0.00 0.00 27.41 29.78 1ddb h HIS 15 CO 0.00 0.20 0.46 0.97 -3.07 0.00 0.00 177.93 176.49 1ddb h ILE 16 N 0.57 0.78 -0.28 6.12 6.09 -1.94 -0.53 117.51 128.32 1ddb h ILE 16 Ca 0.35 -0.09 0.05 0.00 -1.37 0.00 0.00 64.86 63.81 1ddb h ILE 16 Cb 0.40 0.49 -0.05 0.00 0.47 0.00 0.00 36.82 38.13 1ddb h ILE 16 CO -0.29 0.05 -0.05 0.74 -3.07 0.00 0.00 178.15 175.54 1ddb h THR 17 N 0.26 0.74 -0.97 2.19 2.02 -0.62 -0.33 112.91 116.21 1ddb h THR 17 Ca 0.32 -0.01 0.23 0.00 0.77 0.00 0.00 66.41 67.72 1ddb h THR 17 Cb 0.90 0.71 -0.12 0.00 -1.74 0.00 0.00 68.15 67.90 1ddb h THR 17 CO -0.07 0.01 0.53 -0.78 0.37 0.00 0.00 175.52 175.57 1ddb h ASP 18 N 0.03 0.58 -0.06 4.18 3.58 -1.05 1.44 116.42 125.12 1ddb h ASP 18 Ca 0.14 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 1ddb h ASP 18 Cb 0.20 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1ddb h ASP 18 CO -0.27 0.09 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.07 1ddb h LEU 19 N 0.55 0.23 -0.73 2.28 -0.00 -1.06 -1.44 115.31 115.13 1ddb h LEU 19 Ca 0.61 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 58.39 1ddb h LEU 19 Cb 1.13 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1ddb h LEU 19 CO -0.48 0.31 0.20 0.25 -0.00 0.00 0.00 178.44 178.72 1ddb h LEU 20 N 0.24 1.09 0.51 1.67 7.12 0.25 1.48 115.31 127.68 1ddb h LEU 20 Ca 0.06 -0.22 -0.03 0.00 0.13 0.00 0.00 57.88 57.82 1ddb h LEU 20 Cb 0.23 -0.29 0.01 0.00 -0.53 0.00 0.00 40.66 40.08 1ddb h LEU 20 CO 0.01 1.03 -0.25 1.62 -0.13 0.00 0.00 178.44 180.72 1ddb h VAL 21 N 1.10 0.00 -0.14 1.05 3.04 -0.45 1.46 116.25 122.31 1ddb h VAL 21 Ca 0.23 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.85 1ddb h VAL 21 Cb 0.35 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 1ddb h VAL 21 CO -0.00 0.00 -0.01 0.15 -1.01 0.00 0.00 177.57 176.70 1ddb h PHE 22 N -0.74 0.20 -0.11 3.17 3.04 -1.41 -2.11 116.94 118.99 1ddb h PHE 22 Ca -0.07 -0.01 -0.21 0.00 3.98 0.00 0.00 57.97 61.67 1ddb h PHE 22 Cb 0.53 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1ddb h PHE 22 CO 0.09 0.22 -0.77 0.78 -2.02 0.00 0.00 178.31 176.62 1ddb h GLY 23 N 0.45 0.67 0.70 2.40 0.00 0.22 -2.79 103.07 104.72 1ddb h GLY 23 Ca 0.05 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.42 1ddb h GLY 23 CO 0.00 0.85 -0.29 -2.75 0.00 0.00 0.00 176.54 174.36 1ddb h PHE 24 N 0.41 -0.76 -0.58 5.60 3.04 0.27 0.10 116.94 125.02 1ddb h PHE 24 Ca -0.05 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.97 1ddb h PHE 24 Cb 1.37 0.30 -0.05 0.00 2.56 0.00 0.00 35.95 40.12 1ddb h PHE 24 CO 0.07 -0.41 0.28 1.25 -2.02 0.00 0.00 178.31 177.48 1ddb h LEU 25 N -0.61 0.39 -1.82 0.59 5.85 -1.57 0.79 115.31 118.93 1ddb h LEU 25 Ca -0.01 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1ddb h LEU 25 Cb 0.56 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1ddb h LEU 25 CO -0.05 0.25 0.23 -0.61 -0.34 0.00 0.00 178.44 177.92 1ddb h GLN 26 N 0.53 0.22 0.00 1.25 -0.00 -1.15 0.52 115.11 116.49 1ddb h GLN 26 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1ddb h GLN 26 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.64 1ddb h GLN 26 CO -0.20 0.15 0.00 0.45 0.00 0.00 0.00 178.83 179.23 1ddb n SER 27 N -4.48 0.00 -2.49 -0.69 2.88 0.32 -4.69 113.62 104.46 1ddb n SER 27 Ca 0.04 0.27 0.01 0.00 -1.33 0.00 0.00 58.87 57.85 1ddb n SER 27 Cb 0.24 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.28 1.17 0.00 -3.46 2.88 -1.14 -4.90 113.62 107.89 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 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 -0.42 0.80 0.00 0.46 0.00 0.17 -4.71 105.19 101.49 1ddb n GLY 29 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.31 0.00 0.19 0.00 2.01 -1.26 -5.01 115.64 111.89 1ddb s THR 31 Ca 0.00 -1.72 -0.13 0.00 0.31 0.00 0.00 61.69 60.15 1ddb s THR 31 Cb 0.00 -2.34 0.13 0.00 0.01 0.00 0.00 72.50 70.30 1ddb s THR 31 CO 0.00 -0.02 1.69 -0.09 -0.69 0.00 0.00 174.62 175.51 1ddb h ARG 32 N 2.46 0.13 -0.27 4.92 2.43 -1.96 0.39 114.38 122.48 1ddb h ARG 32 Ca -0.31 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1ddb h ARG 32 Cb 1.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1ddb h ARG 32 CO 0.45 0.09 0.20 0.37 -1.51 0.00 0.00 179.97 179.56 1ddb h GLN 33 N 0.13 0.00 0.35 0.20 4.15 -1.99 -1.57 115.11 116.38 1ddb h GLN 33 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1ddb h GLN 33 Cb 0.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1ddb h GLN 33 CO -0.41 0.00 -0.17 1.49 -1.93 0.00 0.00 178.83 177.81 1ddb h GLU 34 N 0.00 -0.45 -1.03 1.69 4.22 -0.68 -2.71 114.58 115.61 1ddb h GLU 34 Ca 0.13 0.03 0.28 0.00 0.08 0.00 0.00 59.36 59.88 1ddb h GLU 34 Cb 0.52 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1ddb h GLU 34 CO -0.00 -0.16 0.72 1.37 -2.18 0.00 0.00 179.01 178.76 1ddb h LEU 35 N -1.00 0.15 -0.15 1.64 -0.00 -0.68 0.41 115.31 115.68 1ddb h LEU 35 Ca -0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1ddb h LEU 35 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1ddb h LEU 35 CO 0.08 0.04 0.04 -0.08 -0.00 0.00 0.00 178.44 178.52 1ddb h GLU 36 N 0.14 0.24 0.65 0.17 4.57 -1.21 3.67 114.58 122.81 1ddb h GLU 36 Ca 0.52 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.61 1ddb h GLU 36 Cb 1.79 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.35 1ddb h GLU 36 CO -0.10 0.39 -0.31 0.28 -1.18 0.00 0.00 179.01 178.09 1ddb h VAL 37 N 0.06 0.23 -0.20 0.32 2.07 0.02 0.15 116.25 118.90 1ddb h VAL 37 Ca 0.05 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ddb h VAL 37 Cb 0.25 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ddb h VAL 37 CO 0.00 0.02 0.07 -0.07 0.02 0.00 0.00 177.57 177.61 1ddb h LEU 38 N -1.07 0.29 -0.70 2.57 3.38 -0.94 -2.83 115.31 116.00 1ddb h LEU 38 Ca -0.09 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.82 1ddb h LEU 38 Cb 0.71 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.29 1ddb h LEU 38 CO 0.15 0.41 0.24 1.23 0.09 0.00 0.00 178.44 180.55 1ddb h GLY 39 N 0.16 1.01 0.00 0.83 0.00 0.69 -3.44 103.07 102.33 1ddb h GLY 39 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ddb h GLY 39 CO -0.00 -0.10 0.00 -2.13 0.00 0.00 0.00 176.54 174.30 1ddb n ARG 40 N -5.05 0.00 -4.20 4.80 0.63 0.53 -4.89 116.66 108.48 1ddb n ARG 40 Ca 0.12 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.89 1ddb n ARG 40 Cb 0.38 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.15 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1ddb s GLU 41 N 0.00 0.53 -0.45 -0.14 1.03 -1.17 -4.37 118.70 114.12 1ddb s GLU 41 Ca 0.00 -0.32 -0.15 0.00 0.03 0.00 0.00 54.97 54.54 1ddb s GLU 41 Cb 0.00 -0.48 0.06 0.00 -0.80 0.00 0.00 34.13 32.90 1ddb s GLU 41 CO 0.00 0.13 0.35 -0.51 -1.33 0.00 0.00 175.26 173.90 1ddb s LEU 42 N -0.38 5.40 0.91 1.83 2.01 -1.26 -5.07 118.68 122.11 1ddb s LEU 42 Ca 0.01 -1.22 -0.12 0.00 0.01 0.00 0.00 54.13 52.81 1ddb s LEU 42 Cb -0.04 -2.15 0.14 0.00 0.01 0.00 0.00 46.19 44.15 1ddb s LEU 42 CO -0.00 -0.57 1.14 -2.16 1.01 0.00 0.00 176.35 175.76 1ddb s PRO 43 N 1.63 1.18 0.00 1.29 0.04 -1.26 -5.00 135.00 132.87 1ddb s PRO 43 Ca 0.04 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1ddb s PRO 43 Cb -0.23 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ddb s PRO 43 CO 0.07 -2.18 0.31 0.28 0.04 0.00 0.00 177.00 175.52 1ddb n VAL 44 N -3.75 0.00 0.00 -0.36 0.31 -1.26 -4.66 118.33 108.60 1ddb n VAL 44 Ca 0.07 0.81 0.00 0.00 -0.01 0.00 0.00 64.34 65.20 1ddb n VAL 44 Cb 0.59 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 -0.54 0.00 -4.10 5.55 1.13 -1.26 -4.78 117.38 113.38 1ddb n GLN 45 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 1ddb n GLN 45 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb n ALA 46 N 5.60 -1.31 -0.88 -1.58 0.00 -1.26 -4.61 120.51 116.46 1ddb n ALA 46 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 1ddb n ALA 46 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 19.45 15.64 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 -4.49 0.83 0.00 0.00 9.36 -1.26 -4.80 117.16 116.80 1ddb n TYR 47 Ca 0.04 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.81 1ddb n TYR 47 Cb 0.51 -1.49 0.00 0.00 -0.63 0.00 0.00 39.34 37.73 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 4.49 0.00 -3.19 2.98 -0.00 -1.26 -5.09 117.44 115.37 1ddb n TRP 48 Ca 0.33 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.60 1ddb n TRP 48 Cb -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.23 1ddb n TRP 48 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 1ddb n GLU 49 N 0.00 1.42 0.00 5.87 0.28 -1.26 -4.83 120.64 122.12 1ddb n GLU 49 Ca 0.00 -3.72 0.00 0.00 -0.16 0.00 0.00 57.16 53.28 1ddb n GLU 49 Cb 0.00 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.20 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ddb n ALA 50 N 0.74 0.00 0.00 -1.84 0.00 -1.26 -5.17 120.51 112.97 1ddb n ALA 50 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ddb n ALA 50 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddb n ASP 51 N 0.00 0.00 -2.65 0.00 9.92 -1.26 -5.08 116.55 117.47 1ddb n ASP 51 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1ddb n ASP 51 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ddb n LEU 52 N 0.00 -1.06 0.00 0.64 7.94 -1.26 -5.10 117.00 118.16 1ddb n LEU 52 Ca 0.00 -1.62 -0.02 0.00 -1.11 0.00 0.00 56.01 53.26 1ddb n LEU 52 Cb 0.00 0.94 -0.00 0.00 0.53 0.00 0.00 43.42 44.89 1ddb n LEU 52 CO 0.00 1.07 0.03 -0.62 -1.11 0.00 0.00 177.39 176.76 1ddb n GLU 53 N -0.47 0.10 -4.21 1.96 1.02 -1.26 -5.18 120.64 112.60 1ddb n GLU 53 Ca -0.29 -0.34 -0.24 0.00 -0.02 0.00 0.00 57.16 56.27 1ddb n GLU 53 Cb 0.63 0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 32.33 1ddb n GLU 53 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ddb s ASP 54 N -1.27 4.90 -0.08 1.62 1.01 -1.26 -5.12 116.67 116.47 1ddb s ASP 54 Ca 0.03 -0.43 -0.32 0.00 0.71 0.00 0.00 52.55 52.53 1ddb s ASP 54 Cb -0.00 -1.07 0.14 0.00 1.01 0.00 0.00 42.92 43.01 1ddb s ASP 54 CO 0.02 0.03 1.42 -1.61 0.21 0.00 0.00 175.17 175.24 1ddb s GLU 55 N -3.40 0.07 0.37 8.23 2.02 -1.26 -5.15 118.70 119.59 1ddb s GLU 55 Ca 0.30 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1ddb s GLU 55 Cb -0.08 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.17 1ddb s GLU 55 CO 0.21 -0.03 0.00 -0.11 0.02 0.00 0.00 175.26 175.34 1ddb n LEU 56 N -0.51 -3.57 -4.96 1.80 0.00 -1.26 -5.02 117.00 103.47 1ddb n LEU 56 Ca -0.09 2.53 -0.19 0.00 0.00 0.00 0.00 56.01 58.27 1ddb n LEU 56 Cb 0.64 -2.26 -0.00 0.00 0.00 0.00 0.00 43.42 41.79 1ddb n LEU 56 CO 0.11 -0.02 0.11 -1.58 0.00 0.00 0.00 177.39 176.01 1ddb s GLN 57 N -3.45 2.70 -0.73 1.96 2.00 -1.26 -5.00 119.66 115.88 1ddb s GLN 57 Ca 0.00 -1.37 -0.06 0.00 -2.00 0.00 0.00 55.36 51.93 1ddb s GLN 57 Cb 0.00 -2.61 -0.02 0.00 0.80 0.00 0.00 33.01 31.18 1ddb s GLN 57 CO 0.00 -0.28 2.90 -2.37 -0.50 0.00 0.00 175.29 175.04 1ddb n THR 58 N -1.76 3.87 -0.57 -0.34 5.66 -1.26 -4.92 114.28 114.96 1ddb n THR 58 Ca 0.07 -2.93 0.07 0.00 -3.05 0.00 0.00 64.05 58.20 1ddb n THR 58 Cb 0.60 -1.95 -0.04 0.00 -1.55 0.00 0.00 70.33 67.40 1ddb n THR 58 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ddb n ASP 59 N 1.83 -3.19 0.00 1.09 2.03 -1.26 -4.72 116.55 112.33 1ddb n ASP 59 Ca 0.55 0.54 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1ddb n ASP 59 Cb 0.51 -1.95 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ddb n GLY 60 N -3.01 -1.05 3.54 0.27 0.00 -1.26 -4.77 105.19 98.91 1ddb n GLY 60 Ca -0.03 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.47 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddb n SER 61 N -0.43 0.78 -4.56 1.61 3.41 -1.26 -4.75 113.62 108.42 1ddb n SER 61 Ca 0.00 1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 59.47 1ddb n SER 61 Cb 0.00 -1.11 -0.05 0.00 -0.26 0.00 0.00 64.21 62.79 1ddb n SER 61 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ddb s GLN 62 N -0.22 2.67 0.89 4.33 -0.21 -1.26 -4.95 119.66 120.91 1ddb s GLN 62 Ca 0.78 -0.34 -0.12 0.00 0.02 0.00 0.00 55.36 55.70 1ddb s GLN 62 Cb -0.97 -5.07 0.13 0.00 1.00 0.00 0.00 33.01 28.10 1ddb s GLN 62 CO 0.53 -3.23 1.09 0.00 -2.12 0.00 0.00 175.29 171.56 1ddb s ALA 63 N 9.51 1.57 0.26 6.09 0.00 -1.26 -4.91 121.76 133.02 1ddb s ALA 63 Ca 0.67 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 1ddb s ALA 63 Cb -0.06 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.73 1ddb s ALA 63 CO -0.01 -2.33 0.94 -1.13 0.00 0.00 0.00 175.76 173.23 1ddb n SER 64 N -3.86 0.86 -4.70 0.00 3.41 -1.26 -4.92 113.62 103.15 1ddb n SER 64 Ca 0.07 1.17 -0.38 0.00 -0.26 0.00 0.00 58.87 59.46 1ddb n SER 64 Cb 0.55 -1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 1ddb n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ddb s ARG 65 N -1.35 4.29 0.00 4.33 1.70 -1.26 -4.91 118.95 121.75 1ddb s ARG 65 Ca 0.61 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 56.33 1ddb s ARG 65 Cb -0.76 -3.49 0.00 0.00 -0.57 0.00 0.00 34.95 30.14 1ddb s ARG 65 CO 0.59 0.03 0.00 0.43 -1.08 0.00 0.00 175.30 175.26 1ddb n SER 66 N 4.13 0.00 -4.61 -2.89 7.64 -1.26 -5.10 113.62 111.53 1ddb n SER 66 Ca -0.06 0.00 -0.65 0.00 1.01 0.00 0.00 58.87 59.17 1ddb n SER 66 Cb 0.51 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1ddb n SER 66 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1ddb n PHE 67 N 0.00 1.61 -1.86 1.43 1.16 -1.26 -4.73 117.46 113.81 1ddb n PHE 67 Ca 0.00 1.00 -0.38 0.00 -1.87 0.00 0.00 57.45 56.20 1ddb n PHE 67 Cb 0.00 -2.26 -0.03 0.00 -1.61 0.00 0.00 39.48 35.58 1ddb n PHE 67 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1ddb s ASN 68 N 3.92 4.96 -0.01 5.98 4.22 -1.26 -4.86 114.94 127.89 1ddb s ASN 68 Ca 1.09 0.63 -0.28 0.00 -2.14 0.00 0.00 52.86 52.16 1ddb s ASN 68 Cb -1.46 -2.52 0.09 0.00 1.28 0.00 0.00 41.25 38.64 1ddb s ASN 68 CO 0.76 -2.56 0.79 -1.58 -2.04 0.00 0.00 177.10 172.47 1ddb s GLN 69 N 7.49 0.95 0.00 3.55 -0.44 -1.26 -5.17 119.66 124.77 1ddb s GLN 69 Ca 0.79 -0.12 0.00 0.00 -2.50 0.00 0.00 55.36 53.53 1ddb s GLN 69 Cb -0.14 0.44 0.00 0.00 -1.64 0.00 0.00 33.01 31.67 1ddb s GLN 69 CO 0.23 -0.37 0.00 0.41 0.50 0.00 0.00 175.29 176.06 1ddb n GLY 70 N 0.20 3.23 4.01 2.59 0.00 -1.26 -5.13 105.19 108.82 1ddb n GLY 70 Ca -0.14 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 1ddb n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddb s ARG 71 N -2.23 2.73 0.07 1.61 3.00 -1.26 -5.03 118.95 117.85 1ddb s ARG 71 Ca 0.00 -1.32 -0.35 0.00 0.00 0.00 0.00 55.73 54.05 1ddb s ARG 71 Cb 0.00 -2.72 -0.15 0.00 0.00 0.00 0.00 34.95 32.08 1ddb s ARG 71 CO 0.00 -0.36 1.53 -0.89 0.00 0.00 0.00 175.30 175.58 1ddb n ILE 72 N -1.90 0.08 -3.73 1.52 2.08 -1.26 -4.93 119.36 111.22 1ddb n ILE 72 Ca 0.09 -0.02 -0.28 0.00 0.56 0.00 0.00 62.75 63.10 1ddb n ILE 72 Cb 0.60 -1.29 -0.12 0.00 -0.75 0.00 0.00 39.64 38.08 1ddb n ILE 72 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ddb s GLU 73 N 1.28 1.83 0.00 0.38 2.56 -1.26 -5.07 118.70 118.42 1ddb s GLU 73 Ca 0.84 -2.77 0.00 0.00 0.00 0.00 0.00 54.97 53.03 1ddb s GLU 73 Cb -0.81 -2.70 0.00 0.00 2.00 0.00 0.00 34.13 32.62 1ddb s GLU 73 CO 0.45 -1.29 0.00 -0.35 -0.56 0.00 0.00 175.26 173.51 1ddb n PRO 74 N 2.50 0.23 -1.63 4.30 -0.04 -1.26 -4.88 135.00 134.21 1ddb n PRO 74 Ca 0.20 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 63.12 1ddb n PRO 74 Cb 0.38 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.78 1ddb n PRO 74 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddb n ASP 75 N -1.55 1.84 -3.20 3.54 9.92 -1.26 -4.90 116.55 120.94 1ddb n ASP 75 Ca 0.00 1.11 -0.23 0.00 -0.53 0.00 0.00 54.79 55.14 1ddb n ASP 75 Cb 0.00 -1.17 -0.06 0.00 -0.64 0.00 0.00 41.12 39.26 1ddb n ASP 75 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1ddb n SER 76 N 3.43 1.24 -4.72 -2.24 3.41 -1.26 -4.70 113.62 108.78 1ddb n SER 76 Ca 0.21 -2.97 -0.29 0.00 -0.26 0.00 0.00 58.87 55.56 1ddb n SER 76 Cb 0.17 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.40 1ddb n SER 76 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ddb s GLU 77 N -1.90 2.12 -1.04 4.33 2.02 -1.26 -5.02 118.70 117.96 1ddb s GLU 77 Ca 0.38 -2.14 -0.25 0.00 0.02 0.00 0.00 54.97 52.98 1ddb s GLU 77 Cb 0.22 -1.72 -0.13 0.00 0.10 0.00 0.00 34.13 32.61 1ddb s GLU 77 CO -0.09 -0.22 2.06 -1.54 0.02 0.00 0.00 175.26 175.49 1ddb s SER 78 N -3.86 4.40 0.00 -0.19 1.04 -1.26 -2.49 113.70 111.33 1ddb s SER 78 Ca 0.26 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1ddb s SER 78 Cb 0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1ddb s SER 78 CO 0.14 -3.64 0.00 0.00 0.98 0.00 0.00 173.24 170.72 1ddb n GLN 79 N 8.45 0.00 -2.11 4.02 1.13 -1.26 -5.12 117.38 122.49 1ddb n GLN 79 Ca 0.43 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1ddb n GLN 79 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.81 1ddb n GLN 79 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1ddb n GLU 80 N 0.00 -4.33 -0.98 -1.09 4.07 -1.04 -4.90 120.64 112.37 1ddb n GLU 80 Ca 0.00 3.23 -0.36 0.00 -0.06 0.00 0.00 57.16 59.97 1ddb n GLU 80 Cb 0.00 -3.99 0.05 0.00 -0.06 0.00 0.00 31.44 27.44 1ddb n GLU 80 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ddb n GLU 81 N 1.52 -0.04 0.04 5.31 -0.58 -1.26 -4.83 120.64 120.80 1ddb n GLU 81 Ca 0.00 -0.01 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1ddb n GLU 81 Cb 0.00 -1.09 -0.14 0.00 -0.57 0.00 0.00 31.44 29.63 1ddb n GLU 81 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1ddb h ILE 82 N -1.07 1.37 -0.48 -3.67 -0.00 -1.99 -3.08 117.51 108.59 1ddb h ILE 82 Ca -0.44 -2.51 0.08 0.00 -0.00 0.00 0.00 64.86 62.00 1ddb h ILE 82 Cb 1.31 3.06 -0.07 0.00 -0.00 0.00 0.00 36.82 41.12 1ddb h ILE 82 CO 0.24 0.71 0.08 0.16 -0.00 0.00 0.00 178.15 179.34 1ddb h ILE 83 N -0.34 0.71 -0.19 2.19 3.07 -2.00 0.29 117.51 121.23 1ddb h ILE 83 Ca -0.19 -0.07 -0.00 0.00 1.55 0.00 0.00 64.86 66.15 1ddb h ILE 83 Cb 1.69 0.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.72 1ddb h ILE 83 CO 0.13 0.04 0.11 0.45 -1.05 0.00 0.00 178.15 177.82 1ddb h HIS 84 N 0.21 0.25 0.17 0.16 3.86 -1.93 -1.46 115.15 116.40 1ddb h HIS 84 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1ddb h HIS 84 Cb 0.33 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1ddb h HIS 84 CO -0.24 0.17 -0.11 -0.97 0.86 0.00 0.00 177.93 177.64 1ddb h ASN 85 N 0.26 -0.29 -0.12 2.45 -1.24 -0.36 -1.40 115.58 114.89 1ddb h ASN 85 Ca 0.07 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 1ddb h ASN 85 Cb 0.00 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1ddb h ASN 85 CO -0.01 -0.18 0.04 0.16 -1.29 0.00 0.00 177.43 176.14 1ddb h ILE 86 N -0.28 1.09 -0.20 2.57 3.07 -0.67 -1.30 117.51 121.79 1ddb h ILE 86 Ca -0.01 -0.33 0.04 0.00 1.55 0.00 0.00 64.86 66.12 1ddb h ILE 86 Cb 0.24 0.92 -0.04 0.00 -0.27 0.00 0.00 36.82 37.67 1ddb h ILE 86 CO 0.01 0.11 -0.08 0.00 -1.05 0.00 0.00 178.15 177.14 1ddb h ALA 87 N 1.80 0.10 0.18 0.16 0.00 -0.26 0.65 119.26 121.90 1ddb h ALA 87 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ddb h ALA 87 Cb 0.11 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ddb h ALA 87 CO -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 179.25 178.66 1ddb h ARG 88 N -0.04 -0.24 0.00 0.00 3.08 -0.69 -2.27 114.38 114.22 1ddb h ARG 88 Ca 0.10 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ddb h ARG 88 Cb 0.20 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1ddb h ARG 88 CO -0.23 0.06 0.38 1.25 -1.07 0.00 0.00 179.97 180.36 1ddb h HIS 89 N -0.55 0.00 0.54 3.04 2.76 -0.98 -1.29 115.15 118.67 1ddb h HIS 89 Ca -0.03 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1ddb h HIS 89 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1ddb h HIS 89 CO 0.02 0.00 -0.29 1.25 -1.30 0.00 0.00 177.93 177.61 1ddb h LEU 90 N 0.00 -0.70 0.32 0.26 5.85 -0.25 0.54 115.31 121.32 1ddb h LEU 90 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ddb h LEU 90 Cb 0.76 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1ddb h LEU 90 CO 0.00 -0.47 -0.43 0.00 -0.34 0.00 0.00 178.44 177.20 1ddb h ALA 91 N -1.56 -0.88 -1.05 1.25 0.00 -1.34 0.45 119.26 116.12 1ddb h ALA 91 Ca -0.07 -0.13 0.30 0.00 0.00 0.00 0.00 54.91 55.01 1ddb h ALA 91 Cb 0.59 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1ddb h ALA 91 CO 0.10 -1.05 0.74 0.37 0.00 0.00 0.00 179.25 179.42 1ddb h GLN 92 N -0.80 0.08 -0.08 0.00 -0.00 -1.51 1.43 115.11 114.22 1ddb h GLN 92 Ca -0.02 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.49 1ddb h GLN 92 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.19 1ddb h GLN 92 CO -0.13 0.05 -0.53 0.82 0.00 0.00 0.00 178.83 179.04 1ddb h ILE 93 N 0.08 1.36 0.31 2.39 1.08 0.22 -1.74 117.51 121.21 1ddb h ILE 93 Ca 0.52 -1.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.16 1ddb h ILE 93 Cb 1.91 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1ddb h ILE 93 CO -0.06 0.54 -0.15 1.23 -0.69 0.00 0.00 178.15 179.02 1ddb h GLY 94 N 1.39 -0.43 0.85 5.37 0.00 0.33 1.69 103.07 112.27 1ddb h GLY 94 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1ddb h GLY 94 CO 0.08 -0.16 -0.11 -1.80 0.00 0.00 0.00 176.54 174.55 1ddb h ASP 95 N -0.42 -0.27 -1.01 0.19 1.82 -1.46 -2.50 116.42 112.77 1ddb h ASP 95 Ca -0.04 -0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.53 1ddb h ASP 95 Cb 0.32 0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.34 1ddb h ASP 95 CO 0.07 -0.06 0.66 -0.08 -1.61 0.00 0.00 179.24 178.22 1ddb h GLU 96 N -0.47 1.23 -0.38 0.28 4.81 -1.25 -2.45 114.58 116.36 1ddb h GLU 96 Ca -0.03 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1ddb h GLU 96 Cb 0.36 -0.28 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1ddb h GLU 96 CO 0.05 0.82 -0.15 0.52 -0.73 0.00 0.00 179.01 179.52 1ddb h MET 97 N 1.27 -0.08 -1.86 1.92 2.86 0.28 0.20 114.93 119.52 1ddb h MET 97 Ca 0.40 0.01 0.55 0.00 -2.06 0.00 0.00 59.70 58.59 1ddb h MET 97 Cb 0.01 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 1ddb h MET 97 CO -0.13 -0.05 1.33 -0.40 1.06 0.00 0.00 176.91 178.72 1ddb n ASP 98 N -5.34 0.02 -0.09 1.22 5.68 -0.92 0.23 116.55 117.36 1ddb n ASP 98 Ca 0.02 1.00 -0.06 0.00 -0.50 0.00 0.00 54.79 55.25 1ddb n ASP 98 Cb 0.25 -0.50 0.01 0.00 -1.14 0.00 0.00 41.12 39.74 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1ddb h HIS 99 N 0.00 0.04 -2.13 2.11 2.76 -0.71 -3.37 115.15 113.85 1ddb h HIS 99 Ca 0.91 0.02 -0.45 0.00 -2.20 0.00 0.00 60.37 58.65 1ddb h HIS 99 Cb 3.57 0.03 -0.33 0.00 1.55 0.00 0.00 27.41 32.23 1ddb h HIS 99 CO -0.00 -0.02 -0.76 -0.80 -1.30 0.00 0.00 177.93 175.04 1ddb s ASN 100 N -5.27 1.54 -0.33 3.26 -0.87 0.64 -5.06 114.94 108.85 1ddb s ASN 100 Ca -0.13 -1.99 0.01 0.00 -1.57 0.00 0.00 52.86 49.18 1ddb s ASN 100 Cb 0.12 0.23 0.15 0.00 -0.02 0.00 0.00 41.25 41.72 1ddb s ASN 100 CO 0.70 -0.25 0.34 -0.63 -2.57 0.00 0.00 177.10 174.69 1ddb s ILE 101 N 1.08 -0.37 0.00 0.60 -1.09 -1.02 -4.89 121.20 115.52 1ddb s ILE 101 Ca 0.20 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1ddb s ILE 101 Cb -0.14 -0.85 0.00 0.00 -1.58 0.00 0.00 42.46 39.89 1ddb s ILE 101 CO -0.04 -0.52 0.00 0.00 -1.23 0.00 0.00 174.94 173.14 1ddb n GLN 102 N 4.79 0.00 0.22 2.79 10.64 -1.26 -4.57 117.38 129.99 1ddb n GLN 102 Ca 0.04 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.36 1ddb n GLN 102 Cb 0.46 0.00 0.44 0.00 -0.86 0.00 0.00 30.24 30.27 1ddb n GLN 102 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1ddb h PRO 103 N 0.00 0.00 0.00 2.61 0.13 -2.00 -3.35 132.00 129.39 1ddb h PRO 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ddb h PRO 103 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ddb h PRO 103 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1ddb n THR 104 N -2.93 0.00 0.00 1.56 -2.24 -1.26 -5.00 114.28 104.42 1ddb n THR 104 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ddb n THR 104 Cb 0.40 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1ddb n THR 104 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ddb n LEU 105 N 0.00 0.00 0.00 3.22 4.77 -1.26 -4.95 117.00 118.79 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ddb n LEU 105 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1ddb n LEU 105 CO 0.00 0.00 0.04 1.33 -1.33 0.00 0.00 177.39 177.43 1ddb n VAL 106 N 0.00 0.00 0.20 4.08 0.24 -1.26 0.91 118.33 122.50 1ddb n VAL 106 Ca 0.00 0.58 0.15 0.00 -2.04 0.00 0.00 64.34 63.03 1ddb n VAL 106 Cb 0.00 -1.34 0.56 0.00 -1.47 0.00 0.00 33.84 31.59 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ddb h ARG 107 N 0.00 0.00 0.09 7.34 2.43 -1.94 0.35 114.38 122.64 1ddb h ARG 107 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ddb h ARG 107 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ddb h ARG 107 CO 0.00 0.00 -0.04 1.96 -1.51 0.00 0.00 179.97 180.38 1ddb h GLN 108 N 0.00 -0.11 0.45 0.20 1.08 -1.71 0.31 115.11 115.33 1ddb h GLN 108 Ca 0.11 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1ddb h GLN 108 Cb 1.39 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.85 1ddb h GLN 108 CO -0.00 0.19 -0.22 1.37 -0.95 0.00 0.00 178.83 179.22 1ddb h LEU 109 N -0.42 -0.51 -1.52 1.46 8.10 0.46 -2.08 115.31 120.79 1ddb h LEU 109 Ca -0.01 0.02 0.14 0.00 0.11 0.00 0.00 57.88 58.13 1ddb h LEU 109 Cb 0.35 0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 40.69 1ddb h LEU 109 CO 0.02 -0.22 0.70 0.00 -4.11 0.00 0.00 178.44 174.83 1ddb h ALA 110 N -1.43 2.21 -0.07 0.17 0.00 -1.46 1.00 119.26 119.67 1ddb h ALA 110 Ca -0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1ddb h ALA 110 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ddb h ALA 110 CO 0.10 -0.94 -0.25 0.00 0.00 0.00 0.00 179.25 178.16 1ddb h ALA 111 N 1.04 0.13 -0.83 0.00 0.00 -0.66 -3.01 119.26 115.93 1ddb h ALA 111 Ca 0.22 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1ddb h ALA 111 Cb 1.62 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1ddb h ALA 111 CO -0.00 0.13 0.43 -0.56 0.00 0.00 0.00 179.25 179.24 1ddb h GLN 112 N -0.19 0.61 -0.77 0.00 -0.00 0.17 -0.12 115.11 114.82 1ddb h GLN 112 Ca -0.01 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.64 1ddb h GLN 112 Cb 0.88 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.48 28.18 1ddb h GLN 112 CO 0.05 0.41 0.48 0.27 -0.00 0.00 0.00 178.83 180.04 1ddb h PHE 113 N 0.63 0.90 -0.99 0.06 -5.15 -1.44 -3.41 116.94 107.55 1ddb h PHE 113 Ca 0.44 0.02 -0.68 0.00 -0.20 0.00 0.00 57.97 57.55 1ddb h PHE 113 Cb 0.59 -0.30 -0.02 0.00 0.22 0.00 0.00 35.95 36.44 1ddb h PHE 113 CO -0.09 0.51 1.40 0.00 -2.00 0.00 0.00 178.31 178.12 1ddb n MET 114 N -4.63 0.97 -3.30 6.09 0.00 -0.06 -4.74 117.12 111.46 1ddb n MET 114 Ca 0.09 0.27 -0.11 0.00 0.00 0.00 0.00 57.70 57.95 1ddb n MET 114 Cb 0.10 -2.35 -0.03 0.00 0.00 0.00 0.00 33.22 30.94 1ddb n MET 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1ddb n ASN 115 N 9.49 -0.85 -0.00 3.17 4.13 -1.26 -5.02 115.26 124.91 1ddb n ASN 115 Ca 0.42 -2.35 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1ddb n ASN 115 Cb 0.20 1.64 0.00 0.00 -1.54 0.00 0.00 39.78 40.08 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ddb n GLY 116 N -0.41 0.32 2.67 7.41 0.00 -1.26 -4.72 105.19 109.20 1ddb n GLY 116 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1ddb n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 117 N -3.99 -2.45 -2.08 1.61 7.64 -1.26 -5.03 113.62 108.06 1ddb n SER 117 Ca 0.00 -3.25 -0.00 0.00 1.01 0.00 0.00 58.87 56.63 1ddb n SER 117 Cb 0.00 1.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.70 1ddb n SER 117 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ddb n LEU 118 N 1.54 -4.86 -3.83 -3.43 0.00 -1.26 -4.98 117.00 100.18 1ddb n LEU 118 Ca 0.11 0.65 -0.22 0.00 0.00 0.00 0.00 56.01 56.54 1ddb n LEU 118 Cb 0.62 -2.12 -0.17 0.00 0.00 0.00 0.00 43.42 41.75 1ddb n LEU 118 CO 0.06 -1.50 -0.40 -0.55 0.00 0.00 0.00 177.39 175.00 1ddb s SER 119 N -0.85 1.41 0.00 1.96 0.15 -1.26 -4.53 113.70 110.58 1ddb s SER 119 Ca 0.01 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1ddb s SER 119 Cb -0.00 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1ddb s SER 119 CO 0.37 -0.13 0.00 -1.84 1.20 0.00 0.00 173.24 172.84 1ddb n GLU 120 N 4.72 0.00 0.00 5.44 -0.00 -1.26 -3.46 120.64 126.08 1ddb n GLU 120 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.02 1ddb n GLU 120 Cb 0.50 -0.18 0.00 0.00 -0.00 0.00 0.00 31.44 31.77 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ddb n GLU 121 N -0.62 0.00 -1.33 3.44 1.02 -1.26 -4.89 120.64 117.00 1ddb n GLU 121 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1ddb n GLU 121 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ddb n ASP 122 N 0.00 -4.37 0.00 1.62 9.92 -1.26 -4.37 116.55 118.09 1ddb n ASP 122 Ca 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 1ddb n ASP 122 Cb 0.00 -3.67 0.00 0.00 -0.64 0.00 0.00 41.12 36.81 1ddb n ASP 122 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ddb n LYS 123 N -1.47 0.00 0.00 -1.24 3.00 -1.22 -4.54 118.16 112.68 1ddb n LYS 123 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1ddb n LYS 123 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ddb n LYS 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1ddb n ARG 124 N 0.00 0.00 -0.16 1.64 0.63 -1.26 -4.71 116.66 112.80 1ddb n ARG 124 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1ddb n ARG 124 Cb 0.00 -0.75 -0.00 0.00 0.45 0.00 0.00 32.46 32.16 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 0.75 -0.14 6.15 -0.73 -1.93 -1.53 115.58 118.15 1ddb h ASN 125 Ca 0.00 -0.28 0.03 0.00 1.87 0.00 0.00 56.30 57.92 1ddb h ASN 125 Cb 0.00 -0.20 -0.06 0.00 0.27 0.00 0.00 38.32 38.33 1ddb h ASN 125 CO 0.00 0.84 -0.53 0.00 -0.37 0.00 0.00 177.43 177.37 1ddb h LEU 127 N -0.56 -1.22 -1.46 0.00 -0.00 -1.84 0.50 115.31 110.73 1ddb h LEU 127 Ca 0.03 0.12 0.26 0.00 -0.00 0.00 0.00 57.88 58.29 1ddb h LEU 127 Cb 0.65 0.44 -0.08 0.00 -0.00 0.00 0.00 40.66 41.67 1ddb h LEU 127 CO -0.43 -0.46 0.67 0.00 -0.00 0.00 0.00 178.44 178.21 1ddb h ALA 128 N -0.84 2.31 0.00 0.17 0.00 -0.71 1.96 119.26 122.14 1ddb h ALA 128 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ddb h ALA 128 Cb 0.62 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ddb h ALA 128 CO -0.18 -0.68 -0.01 -0.22 0.00 0.00 0.00 179.25 178.16 1ddb h LYS 129 N 0.36 0.00 0.18 0.00 1.63 0.68 -1.99 116.57 117.44 1ddb h LYS 129 Ca 0.56 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.35 1ddb h LYS 129 Cb 1.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 1ddb h LYS 129 CO -0.24 0.01 -0.09 0.00 -3.45 0.00 0.00 179.45 175.69 1ddb h ALA 130 N 1.99 -0.25 -0.97 5.00 0.00 0.40 -2.53 119.26 122.89 1ddb h ALA 130 Ca -0.00 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 54.99 1ddb h ALA 130 Cb 0.04 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1ddb h ALA 130 CO 0.00 -0.40 0.49 1.37 0.00 0.00 0.00 179.25 180.72 1ddb h LEU 131 N -0.73 0.42 0.36 0.00 -0.00 -1.27 0.76 115.31 114.85 1ddb h LEU 131 Ca -0.03 0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1ddb h LEU 131 Cb 0.50 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1ddb h LEU 131 CO 0.04 -0.10 -0.17 -0.78 -0.00 0.00 0.00 178.44 177.43 1ddb h ASP 132 N 0.34 -0.41 0.90 0.17 3.58 -1.42 1.16 116.42 120.74 1ddb h ASP 132 Ca 0.67 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 58.06 1ddb h ASP 132 Cb 1.45 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.61 1ddb h ASP 132 CO -0.59 -0.25 -0.48 -0.33 -2.88 0.00 0.00 179.24 174.71 1ddb h GLU 133 N -0.53 -1.22 -0.64 0.28 3.07 0.14 0.26 114.58 115.95 1ddb h GLU 133 Ca -0.05 0.08 0.13 0.00 -0.50 0.00 0.00 59.36 59.02 1ddb h GLU 133 Cb 0.40 0.28 -0.04 0.00 -0.84 0.00 0.00 28.75 28.55 1ddb h GLU 133 CO 0.08 -0.81 0.43 -0.24 -1.40 0.00 0.00 179.01 177.07 1ddb h VAL 134 N -1.27 0.83 0.00 3.13 3.04 0.29 1.54 116.25 123.81 1ddb h VAL 134 Ca -0.12 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1ddb h VAL 134 Cb 0.99 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1ddb h VAL 134 CO 0.17 0.06 0.00 1.17 -1.01 0.00 0.00 177.57 177.96 1ddb n LYS 135 N -4.46 0.69 -0.00 4.17 4.81 0.40 0.40 118.16 124.17 1ddb n LYS 135 Ca 0.11 0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1ddb n LYS 135 Cb 0.47 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.97 1ddb n LYS 135 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ddb n THR 136 N -1.12 0.00 -0.10 3.15 -2.24 0.49 -4.16 114.28 110.32 1ddb n THR 136 Ca 0.18 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 1ddb n THR 136 Cb 0.15 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddb n ALA 137 N -1.52 1.74 -2.96 6.98 0.00 0.69 -4.75 120.51 120.68 1ddb n ALA 137 Ca -0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 53.44 52.40 1ddb n ALA 137 Cb 0.16 0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.88 4.05 -2.53 0.00 3.72 0.16 -5.07 117.46 113.91 1ddb n PHE 138 Ca -0.37 -4.01 -0.36 0.00 -0.05 0.00 0.00 57.45 52.66 1ddb n PHE 138 Cb 0.76 -0.49 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 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 -3.43 4.13 0.00 -1.08 0.04 -1.21 -3.49 135.00 129.95 1ddb s PRO 139 Ca 0.49 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ddb s PRO 139 Cb 0.27 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1ddb s PRO 139 CO -0.13 -0.17 0.00 0.54 0.04 0.00 0.00 177.00 177.27 1ddb n ARG 140 N -0.14 -0.64 0.00 4.56 1.74 -1.26 -4.54 116.66 116.38 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 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddb n ASP 141 N 0.92 0.00 0.13 0.55 8.00 -1.26 -3.22 116.55 121.67 1ddb n ASP 141 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1ddb n ASP 141 Cb 0.00 0.00 0.54 0.00 -0.02 0.00 0.00 41.12 41.64 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ddb h MET 142 N 0.00 0.24 0.39 -1.24 4.05 -1.99 1.83 114.93 118.22 1ddb h MET 142 Ca 0.00 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1ddb h MET 142 Cb 0.00 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1ddb h MET 142 CO 0.00 0.16 -0.19 0.93 0.23 0.00 0.00 176.91 178.04 1ddb h GLU 143 N 0.25 -0.51 0.53 0.39 4.39 -1.94 -2.15 114.58 115.55 1ddb h GLU 143 Ca 0.08 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1ddb h GLU 143 Cb 0.01 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1ddb h GLU 143 CO -0.02 -0.34 -0.26 -0.97 -1.16 0.00 0.00 179.01 176.27 1ddb h ASN 144 N -0.87 -0.61 -0.94 1.42 -1.24 -1.56 0.17 115.58 111.94 1ddb h ASN 144 Ca -0.05 0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.10 1ddb h ASN 144 Cb 0.41 0.16 -0.15 0.00 0.73 0.00 0.00 38.32 39.47 1ddb h ASN 144 CO 0.09 -0.20 -0.39 -0.67 -1.29 0.00 0.00 177.43 174.97 1ddb n ASP 145 N -5.25 -0.66 0.17 1.15 -0.08 0.62 0.33 116.55 112.82 1ddb n ASP 145 Ca -0.09 1.65 0.02 0.00 -1.51 0.00 0.00 54.79 54.86 1ddb n ASP 145 Cb 0.29 -0.36 0.35 0.00 2.34 0.00 0.00 41.12 43.75 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ddb h LYS 146 N 0.00 0.06 0.63 -0.67 1.63 -1.41 -1.12 116.57 115.69 1ddb h LYS 146 Ca 0.31 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1ddb h LYS 146 Cb 0.54 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1ddb h LYS 146 CO -0.93 0.39 -0.30 0.00 -3.45 0.00 0.00 179.45 175.16 1ddb h ALA 147 N 1.61 -0.99 -0.89 5.00 0.00 0.84 0.46 119.26 125.28 1ddb h ALA 147 Ca 0.01 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1ddb h ALA 147 Cb 0.62 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1ddb h ALA 147 CO 0.05 -0.93 0.51 0.00 0.00 0.00 0.00 179.25 178.87 1ddb h MET 148 N -1.03 0.73 -0.75 0.00 -0.00 0.14 0.57 114.93 114.58 1ddb h MET 148 Ca -0.09 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.70 59.56 1ddb h MET 148 Cb 0.65 -0.16 -0.04 0.00 -0.00 0.00 0.00 31.60 32.04 1ddb h MET 148 CO 0.14 0.48 0.44 1.25 -0.00 0.00 0.00 176.91 179.23 1ddb h LEU 149 N 0.75 0.91 -2.00 -0.10 5.85 -1.15 -0.41 115.31 119.15 1ddb h LEU 149 Ca 0.47 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.28 1ddb h LEU 149 Cb 0.59 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1ddb h LEU 149 CO -0.32 0.71 0.45 0.40 -0.34 0.00 0.00 178.44 179.34 1ddb h ILE 150 N 1.03 0.58 0.19 4.05 5.03 0.14 -0.46 117.51 128.07 1ddb h ILE 150 Ca 0.27 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 65.00 1ddb h ILE 150 Cb -0.02 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 34.44 1ddb h ILE 150 CO -0.05 0.00 -0.09 0.24 -0.68 0.00 0.00 178.15 177.57 1ddb h MET 151 N 0.00 -0.25 -0.69 2.37 2.86 -0.75 -0.97 114.93 117.49 1ddb h MET 151 Ca 0.27 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 58.06 1ddb h MET 151 Cb 1.17 0.06 -0.13 0.00 0.06 0.00 0.00 31.60 32.75 1ddb h MET 151 CO -0.00 -0.06 -0.21 0.00 1.06 0.00 0.00 176.91 177.70 1ddb h THR 152 N -0.40 0.26 0.00 2.22 1.03 -1.07 1.23 112.91 116.18 1ddb h THR 152 Ca -0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.37 1ddb h THR 152 Cb 0.31 0.26 -0.00 0.00 -1.07 0.00 0.00 68.15 67.65 1ddb h THR 152 CO 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 175.52 175.52 1ddb h MET 153 N -0.03 0.00 0.49 0.00 3.00 -1.46 -3.07 114.93 113.87 1ddb h MET 153 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 60.00 1ddb h MET 153 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.13 1ddb h MET 153 CO -0.73 0.03 -0.25 1.37 0.00 0.00 0.00 176.91 177.34 1ddb h LEU 154 N 0.00 -0.60 0.07 -0.10 8.10 0.29 1.07 115.31 124.14 1ddb h LEU 154 Ca -0.00 0.02 0.01 0.00 0.11 0.00 0.00 57.88 58.02 1ddb h LEU 154 Cb 0.48 0.16 -0.04 0.00 -0.44 0.00 0.00 40.66 40.83 1ddb h LEU 154 CO 0.00 -0.42 -0.39 -0.07 -4.11 0.00 0.00 178.44 173.46 1ddb h LEU 155 N -0.68 -1.17 -0.16 0.17 -0.00 -1.34 0.77 115.31 112.91 1ddb h LEU 155 Ca -0.07 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 57.99 1ddb h LEU 155 Cb 0.53 0.43 -0.06 0.00 -0.00 0.00 0.00 40.66 41.56 1ddb h LEU 155 CO 0.10 -0.40 -0.26 0.00 -0.00 0.00 0.00 178.44 177.88 1ddb h ALA 156 N -0.80 -0.24 -0.64 1.53 0.00 -1.57 6.20 119.26 123.73 1ddb h ALA 156 Ca -0.00 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1ddb h ALA 156 Cb 0.54 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 1ddb h ALA 156 CO -0.22 -0.72 -0.16 0.87 0.00 0.00 0.00 179.25 179.02 1ddb h LYS 157 N -0.32 -0.00 -0.03 0.00 1.79 0.18 0.59 116.57 118.78 1ddb h LYS 157 Ca 0.11 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.44 1ddb h LYS 157 Cb 0.48 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1ddb h LYS 157 CO -0.34 -0.00 -0.54 0.87 -1.08 0.00 0.00 179.45 178.36 1ddb h LYS 158 N -0.00 0.41 0.00 3.15 1.79 0.20 -1.92 116.57 120.20 1ddb h LYS 158 Ca 0.31 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1ddb h LYS 158 Cb 0.47 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1ddb h LYS 158 CO -0.66 1.07 0.00 0.28 -1.08 0.00 0.00 179.45 179.06 1ddb n VAL 159 N -4.25 0.00 -0.11 0.50 0.31 1.99 0.41 118.33 117.18 1ddb n VAL 159 Ca -0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1ddb n VAL 159 Cb 0.64 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.54 1ddb n VAL 159 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddb n ALA 160 N -3.00 -0.17 0.09 3.52 0.00 0.34 1.22 120.51 122.51 1ddb n ALA 160 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1ddb n ALA 160 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -3.96 0.14 0.00 0.00 7.64 0.19 -3.58 113.62 114.05 1ddb n SER 161 Ca 0.01 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1ddb n SER 161 Cb 0.07 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1ddb n SER 161 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ddb n HIS 162 N -1.63 -1.45 -3.71 1.43 -0.00 5.59 -4.79 115.22 110.65 1ddb n HIS 162 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 1ddb n HIS 162 Cb 0.33 0.46 -0.10 0.00 -0.00 0.00 0.00 29.99 30.68 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 -1.92 3.40 -0.09 -1.41 0.00 10.16 -4.85 121.76 127.06 1ddb s ALA 163 Ca 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 51.96 49.02 1ddb s ALA 163 Cb 0.00 -2.60 -0.19 0.00 0.00 0.00 0.00 23.12 20.33 1ddb s ALA 163 CO 0.00 -1.97 2.82 -0.35 0.00 0.00 0.00 175.76 176.27 1ddb n PRO 164 N 4.09 1.60 -0.03 0.00 -0.04 -1.24 0.13 135.00 139.51 1ddb n PRO 164 Ca 0.02 -0.83 0.05 0.00 -0.04 0.00 0.00 63.50 62.71 1ddb n PRO 164 Cb 0.40 -1.93 -0.16 0.00 -0.04 0.00 0.00 33.50 31.77 1ddb n PRO 164 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ddb n SER 165 N 2.72 0.05 -3.63 3.54 2.88 -1.26 -4.70 113.62 113.23 1ddb n SER 165 Ca 0.34 0.02 -0.28 0.00 -1.33 0.00 0.00 58.87 57.62 1ddb n SER 165 Cb 0.65 1.65 -0.12 0.00 -0.75 0.00 0.00 64.21 65.64 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ddb s LEU 166 N -4.83 2.55 0.00 2.46 1.02 -1.25 -5.02 118.68 113.62 1ddb s LEU 166 Ca -0.08 -2.96 0.00 0.00 0.02 0.00 0.00 54.13 51.11 1ddb s LEU 166 Cb 0.12 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.42 1ddb s LEU 166 CO 0.88 -0.21 0.21 -0.11 0.02 0.00 0.00 176.35 177.15 1ddb n LEU 167 N 3.07 0.18 -0.24 1.79 7.94 -1.26 0.33 117.00 128.81 1ddb n LEU 167 Ca 0.18 0.21 0.13 0.00 -1.11 0.00 0.00 56.01 55.42 1ddb n LEU 167 Cb 0.39 0.00 0.43 0.00 0.53 0.00 0.00 43.42 44.76 1ddb n LEU 167 CO 0.19 0.00 1.22 0.08 -1.11 0.00 0.00 177.39 177.77 1ddb h ARG 168 N 0.00 0.57 -0.70 1.96 -0.00 -1.87 0.28 114.38 114.62 1ddb h ARG 168 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 1ddb h ARG 168 Cb 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.97 29.81 1ddb h ARG 168 CO 0.00 0.38 0.38 -0.44 -0.00 0.00 0.00 179.97 180.29 1ddb h ASP 169 N 0.59 0.87 0.39 0.08 3.32 -1.94 -1.22 116.42 118.50 1ddb h ASP 169 Ca 0.43 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.40 1ddb h ASP 169 Cb 0.79 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1ddb h ASP 169 CO -0.18 0.70 -0.39 0.58 -1.72 0.00 0.00 179.24 178.23 1ddb h VAL 170 N 0.98 0.00 -0.74 -1.35 2.07 0.36 0.42 116.25 117.99 1ddb h VAL 170 Ca 0.25 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.90 1ddb h VAL 170 Cb 0.03 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.71 1ddb h VAL 170 CO -0.04 0.00 0.30 -0.26 0.02 0.00 0.00 177.57 177.59 1ddb h PHE 171 N -0.78 0.52 -0.20 1.57 -1.00 -1.34 0.38 116.94 116.09 1ddb h PHE 171 Ca -0.05 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1ddb h PHE 171 Cb 0.68 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1ddb h PHE 171 CO -0.21 0.08 0.08 1.25 -1.61 0.00 0.00 178.31 177.90 1ddb h HIS 172 N 0.46 0.27 -0.09 -0.55 2.76 -0.76 0.13 115.15 117.37 1ddb h HIS 172 Ca 0.40 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.55 1ddb h HIS 172 Cb 0.58 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 1ddb h HIS 172 CO -0.16 0.22 -0.01 1.15 -1.30 0.00 0.00 177.93 177.83 1ddb h THR 173 N 0.28 1.28 0.62 6.26 2.02 0.41 0.12 112.91 123.90 1ddb h THR 173 Ca 0.07 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1ddb h THR 173 Cb 0.06 1.68 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1ddb h THR 173 CO -0.01 0.25 -0.30 0.00 0.37 0.00 0.00 175.52 175.83 1ddb h THR 174 N -0.13 0.00 0.00 3.16 1.03 -0.63 -2.46 112.91 113.88 1ddb h THR 174 Ca 0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1ddb h THR 174 Cb 0.40 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.48 1ddb h THR 174 CO 0.01 0.00 0.00 0.52 -0.01 0.00 0.00 175.52 176.04 1ddb n VAL 175 N -4.89 0.00 0.11 0.00 0.31 0.38 -2.59 118.33 111.66 1ddb n VAL 175 Ca -0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.17 1ddb n VAL 175 Cb 0.33 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 1ddb n VAL 175 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1ddb h ASN 176 N 0.00 -0.32 -0.44 4.52 -1.24 -0.24 0.13 115.58 117.98 1ddb h ASN 176 Ca 0.00 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.11 1ddb h ASN 176 Cb 0.00 0.08 -0.08 0.00 0.73 0.00 0.00 38.32 39.05 1ddb h ASN 176 CO 0.00 0.13 -0.12 -0.26 -1.29 0.00 0.00 177.43 175.89 1ddb h PHE 177 N -1.10 -0.26 -0.26 0.67 -1.00 -1.48 0.75 116.94 114.27 1ddb h PHE 177 Ca -0.04 0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1ddb h PHE 177 Cb 0.29 0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1ddb h PHE 177 CO 0.00 -0.20 0.05 0.82 -1.61 0.00 0.00 178.31 177.38 1ddb h ILE 178 N -0.01 1.22 -0.76 -0.55 5.03 -1.68 -2.32 117.51 118.45 1ddb h ILE 178 Ca 0.21 -0.73 0.10 0.00 -0.12 0.00 0.00 64.86 64.32 1ddb h ILE 178 Cb 0.33 1.20 -0.05 0.00 -3.03 0.00 0.00 36.82 35.28 1ddb h ILE 178 CO -0.46 0.24 0.50 -1.13 -0.68 0.00 0.00 178.15 176.61 1ddb h ASN 179 N 0.25 0.59 0.00 1.72 -0.73 0.43 0.65 115.58 118.49 1ddb h ASN 179 Ca 0.08 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.27 1ddb h ASN 179 Cb 0.30 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.78 1ddb h ASN 179 CO 0.00 0.35 0.00 0.00 -0.37 0.00 0.00 177.43 177.42 1ddb n GLN 180 N -4.50 0.00 0.00 6.67 1.13 0.25 -4.75 117.38 116.18 1ddb n GLN 180 Ca 0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1ddb n GLN 180 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.69 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ddb n ASN 181 N 0.00 0.75 -2.09 1.08 5.15 -1.20 -4.64 115.26 114.31 1ddb n ASN 181 Ca 0.00 -0.89 -0.25 0.00 -0.60 0.00 0.00 54.58 52.85 1ddb n ASN 181 Cb 0.00 0.20 0.09 0.00 -0.53 0.00 0.00 39.78 39.54 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 -0.20 6.77 -0.33 1.20 7.99 -1.01 -4.68 117.00 126.74 1ddb n LEU 182 Ca 0.00 -3.63 0.28 0.00 -0.01 0.00 0.00 56.01 52.64 1ddb n LEU 182 Cb 0.01 -0.92 0.46 0.00 -0.11 0.00 0.00 43.42 42.86 1ddb n LEU 182 CO 0.00 1.21 0.83 0.33 -1.51 0.00 0.00 177.39 178.25 1ddb n PHE 183 N -0.56 0.42 0.00 -1.77 -0.00 0.23 -4.14 117.46 111.64 1ddb n PHE 183 Ca 0.49 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 58.36 1ddb n PHE 183 Cb 0.92 -0.81 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 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 -3.93 0.00 0.15 -2.13 7.64 -1.26 -4.61 113.62 109.47 1ddb n SER 184 Ca 0.27 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 1ddb n SER 184 Cb 1.07 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.21 1ddb n SER 184 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ddb h TYR 185 N 0.00 -0.52 -0.33 1.43 3.20 -1.95 0.30 116.97 119.10 1ddb h TYR 185 Ca 0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1ddb h TYR 185 Cb 0.00 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.39 1ddb h TYR 185 CO 0.00 -0.30 -0.26 -0.24 -1.64 0.00 0.00 178.16 175.72 1ddb h VAL 186 N -0.44 0.34 -0.64 1.81 3.04 -1.97 0.20 116.25 118.59 1ddb h VAL 186 Ca -0.00 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.73 1ddb h VAL 186 Cb 0.41 0.34 -0.05 0.00 -2.01 0.00 0.00 31.29 29.98 1ddb h VAL 186 CO -0.04 0.00 0.37 -0.09 -1.01 0.00 0.00 177.57 176.80 1ddb h ARG 187 N -0.22 0.68 -0.55 4.17 1.12 -1.89 -0.36 114.38 117.33 1ddb h ARG 187 Ca 0.16 -0.04 0.08 0.00 -1.11 0.00 0.00 59.98 59.07 1ddb h ARG 187 Cb 0.48 -0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 30.23 1ddb h ARG 187 CO -0.46 0.45 0.20 -0.91 -3.11 0.00 0.00 179.97 176.14 1ddb h ASN 188 N 0.70 0.20 -0.50 -3.80 4.21 0.16 0.13 115.58 116.68 1ddb h ASN 188 Ca 0.28 0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.85 1ddb h ASN 188 Cb 0.12 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1ddb h ASN 188 CO -0.15 0.13 0.31 0.25 -1.29 0.00 0.00 177.43 176.68 1ddb h LEU 189 N 0.38 0.59 -0.58 1.61 6.46 0.27 -0.53 115.31 123.51 1ddb h LEU 189 Ca 0.27 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 1ddb h LEU 189 Cb 0.31 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 1ddb h LEU 189 CO -0.28 0.46 0.26 0.58 -0.62 0.00 0.00 178.44 178.85 1ddb h VAL 190 N 0.67 0.87 -0.27 1.05 2.07 0.40 0.46 116.25 121.50 1ddb h VAL 190 Ca 0.18 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ddb h VAL 190 Cb -0.02 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1ddb h VAL 190 CO -0.03 0.09 0.18 -0.09 0.02 0.00 0.00 177.57 177.74 1ddb h ARG 191 N 0.49 0.36 -0.37 1.57 2.43 -0.16 -2.56 114.38 116.15 1ddb h ARG 191 Ca 0.28 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1ddb h ARG 191 Cb 0.26 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1ddb h ARG 191 CO -0.23 0.24 0.05 -0.97 -1.51 0.00 0.00 179.97 177.54 1ddb h ASN 192 N 0.37 -0.05 -0.12 -3.80 -0.73 -0.15 -3.46 115.58 107.64 1ddb h ASN 192 Ca 0.10 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1ddb h ASN 192 Cb -0.04 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1ddb h ASN 192 CO -0.02 0.01 0.00 1.21 -0.37 0.00 0.00 177.43 178.26 1ddb n GLU 193 N -5.13 0.00 -2.13 6.67 2.13 0.06 -4.70 120.64 117.54 1ddb n GLU 193 Ca 0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.55 1ddb n GLU 193 Cb 0.18 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.91 1ddb n GLU 193 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddb s MET 194 N 0.00 3.32 0.00 5.31 0.23 -1.26 -5.06 119.30 121.85 1ddb s MET 194 Ca 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 55.69 55.10 1ddb s MET 194 Cb 0.00 -2.17 0.00 0.00 -1.53 0.00 0.00 34.83 31.13 1ddb s MET 194 CO 0.00 -0.60 0.00 -3.47 -2.03 0.00 0.00 175.02 168.92