#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 0.00 -3.65 6.12 -0.08 -1.26 -5.18 116.55 112.50 1ddb n ASP 2 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1ddb n ASP 2 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1ddb n ASP 2 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ddb s SER 3 N 0.00 -0.03 -0.30 1.67 0.15 -1.26 -5.18 113.70 108.76 1ddb s SER 3 Ca 0.00 0.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.51 1ddb s SER 3 Cb 0.00 0.29 0.20 0.00 -1.71 0.00 0.00 66.02 64.80 1ddb s SER 3 CO 0.00 -0.01 1.31 -0.70 1.20 0.00 0.00 173.24 175.04 1ddb s GLU 4 N 0.26 0.07 -0.29 5.44 2.12 -1.26 -5.17 118.70 119.88 1ddb s GLU 4 Ca 0.04 0.11 -0.16 0.00 0.36 0.00 0.00 54.97 55.32 1ddb s GLU 4 Cb -0.04 0.02 0.17 0.00 0.26 0.00 0.00 34.13 34.54 1ddb s GLU 4 CO -0.15 -0.01 1.07 0.54 -0.54 0.00 0.00 175.26 176.17 1ddb s VAL 5 N 0.67 -0.09 -0.29 3.70 0.11 -1.26 -5.17 120.40 118.08 1ddb s VAL 5 Ca -0.02 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.75 1ddb s VAL 5 Cb -0.03 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.01 1ddb s VAL 5 CO -0.12 0.00 1.38 -0.94 -3.33 0.00 0.00 175.10 172.09 1ddb s SER 6 N 1.50 -0.06 0.00 3.54 1.04 -1.26 -5.18 113.70 113.28 1ddb s SER 6 Ca -0.07 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1ddb s SER 6 Cb -0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1ddb s SER 6 CO -0.14 -0.04 0.00 -0.46 0.98 0.00 0.00 173.24 173.58 1ddb n ASN 7 N 1.01 0.00 0.00 7.02 0.23 -1.26 -5.19 115.26 117.08 1ddb n ASN 7 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1ddb n ASN 7 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ddb n GLY 8 N -0.47 4.71 0.00 4.83 0.00 -1.26 -5.15 105.19 107.85 1ddb n GLY 8 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.52 1.61 7.64 -1.26 -5.05 113.62 116.05 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 -0.10 0.48 3.15 0.23 0.00 -1.26 -4.87 105.19 102.82 1ddb n GLY 10 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.51 1ddb n GLY 10 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ddb s LEU 11 N -0.72 -0.36 0.00 0.99 2.34 -1.26 -4.86 118.68 114.81 1ddb s LEU 11 Ca 0.00 0.20 0.00 0.00 0.06 0.00 0.00 54.13 54.39 1ddb s LEU 11 Cb 0.00 1.29 0.00 0.00 -0.56 0.00 0.00 46.19 46.92 1ddb s LEU 11 CO 0.00 -0.07 0.00 0.61 -1.06 0.00 0.00 176.35 175.83 1ddb n GLY 12 N 5.44 3.57 2.63 -3.48 0.00 -1.26 -4.15 105.19 107.94 1ddb n GLY 12 Ca -0.06 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.74 2.40 -0.26 4.61 0.00 -1.26 -4.86 121.76 120.64 1ddb s ALA 13 Ca 0.00 -2.98 0.17 0.00 0.00 0.00 0.00 51.96 49.15 1ddb s ALA 13 Cb 0.00 -1.85 0.43 0.00 0.00 0.00 0.00 23.12 21.70 1ddb s ALA 13 CO 0.00 -2.03 1.30 0.36 0.00 0.00 0.00 175.76 175.39 1ddb n LYS 14 N 2.63 1.37 -0.13 0.00 -0.00 -1.26 -4.94 118.16 115.83 1ddb n LYS 14 Ca 0.23 -2.25 -0.05 0.00 -0.00 0.00 0.00 58.31 56.23 1ddb n LYS 14 Cb 0.41 -0.49 0.03 0.00 -0.00 0.00 0.00 35.03 34.99 1ddb n LYS 14 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1ddb h HIS 15 N 1.65 0.25 0.36 5.58 2.07 -1.99 0.45 115.15 123.53 1ddb h HIS 15 Ca -0.31 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.22 1ddb h HIS 15 Cb 1.33 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1ddb h HIS 15 CO 0.19 0.09 -0.18 0.82 -3.07 0.00 0.00 177.93 175.79 1ddb h ILE 16 N 0.31 0.65 -0.75 6.12 1.08 -2.00 -2.58 117.51 120.34 1ddb h ILE 16 Ca 0.20 -0.04 0.12 0.00 -0.39 0.00 0.00 64.86 64.75 1ddb h ILE 16 Cb 0.19 0.67 -0.08 0.00 -3.07 0.00 0.00 36.82 34.52 1ddb h ILE 16 CO -0.20 0.01 0.34 0.74 -0.69 0.00 0.00 178.15 178.35 1ddb h THR 17 N -0.51 0.76 -0.74 -0.27 2.02 -1.82 0.15 112.91 112.49 1ddb h THR 17 Ca -0.05 -0.19 0.16 0.00 0.77 0.00 0.00 66.41 67.11 1ddb h THR 17 Cb 0.39 0.17 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 1ddb h THR 17 CO 0.08 0.10 0.15 -0.78 0.37 0.00 0.00 175.52 175.45 1ddb h ASP 18 N 0.54 -0.04 0.46 4.18 3.58 0.27 1.50 116.42 126.92 1ddb h ASP 18 Ca 0.39 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.96 1ddb h ASP 18 Cb 0.51 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1ddb h ASP 18 CO -0.33 -0.06 -0.17 -0.07 -2.88 0.00 0.00 179.24 175.72 1ddb h LEU 19 N 0.24 0.00 0.02 2.28 4.07 -0.65 -2.63 115.31 118.64 1ddb h LEU 19 Ca 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.38 1ddb h LEU 19 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1ddb h LEU 19 CO -0.53 0.17 -0.01 0.25 -1.08 0.00 0.00 178.44 177.23 1ddb h LEU 20 N 0.00 -0.03 0.49 1.67 5.85 0.28 1.76 115.31 125.33 1ddb h LEU 20 Ca -0.00 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1ddb h LEU 20 Cb 0.45 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ddb h LEU 20 CO 0.02 0.10 -0.48 1.62 -0.34 0.00 0.00 178.44 179.36 1ddb h VAL 21 N -0.16 0.06 0.00 1.05 3.04 -0.95 1.04 116.25 120.33 1ddb h VAL 21 Ca -0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1ddb h VAL 21 Cb 0.14 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 29.47 1ddb h VAL 21 CO 0.01 0.00 -0.15 0.15 -1.01 0.00 0.00 177.57 176.57 1ddb h PHE 22 N -0.97 0.00 -0.17 3.17 3.04 -1.46 -2.43 116.94 118.12 1ddb h PHE 22 Ca -0.06 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.70 1ddb h PHE 22 Cb 0.85 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.36 1ddb h PHE 22 CO -0.24 0.15 -0.66 0.78 -2.02 0.00 0.00 178.31 176.31 1ddb h GLY 23 N 0.63 0.83 0.22 2.40 0.00 0.37 -2.77 103.07 104.76 1ddb h GLY 23 Ca -0.00 -1.12 0.05 0.00 0.00 0.00 0.00 47.33 46.26 1ddb h GLY 23 CO 0.02 1.00 -0.25 -2.75 0.00 0.00 0.00 176.54 174.55 1ddb h PHE 24 N 0.47 -0.67 -0.88 5.60 3.04 0.16 0.24 116.94 124.90 1ddb h PHE 24 Ca -0.03 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.97 1ddb h PHE 24 Cb 1.29 0.32 -0.05 0.00 2.56 0.00 0.00 35.95 40.07 1ddb h PHE 24 CO 0.09 -0.33 0.58 1.25 -2.02 0.00 0.00 178.31 177.88 1ddb h LEU 25 N -0.30 0.98 -1.62 0.59 5.85 -1.60 -0.66 115.31 118.55 1ddb h LEU 25 Ca 0.11 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1ddb h LEU 25 Cb 0.47 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1ddb h LEU 25 CO -0.34 0.69 0.41 -0.61 -0.34 0.00 0.00 178.44 178.25 1ddb h GLN 26 N 1.15 0.42 0.00 1.25 -0.00 -0.86 2.51 115.11 119.57 1ddb h GLN 26 Ca 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.96 1ddb h GLN 26 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.32 1ddb h GLN 26 CO -0.10 0.28 0.00 0.43 0.00 0.00 0.00 178.83 179.44 1ddb n SER 27 N -4.47 0.00 -1.30 -0.69 7.64 -0.07 -4.60 113.62 110.13 1ddb n SER 27 Ca 0.10 0.82 0.02 0.00 1.01 0.00 0.00 58.87 60.82 1ddb n SER 27 Cb 0.36 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ddb n SER 28 N -1.53 0.67 -2.72 6.43 2.88 -1.14 -4.94 113.62 113.26 1ddb n SER 28 Ca 0.00 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 1ddb n SER 28 Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.38 -2.99 0.00 0.46 0.00 0.84 -4.95 105.19 98.94 1ddb n GLY 29 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 0.00 0.17 0.00 -1.32 -1.26 -5.00 115.64 108.23 1ddb s THR 31 Ca 0.00 -1.65 -0.23 0.00 -1.21 0.00 0.00 61.69 58.60 1ddb s THR 31 Cb 0.00 -2.40 0.07 0.00 -1.51 0.00 0.00 72.50 68.66 1ddb s THR 31 CO 0.00 0.00 1.59 -0.09 -2.21 0.00 0.00 174.62 173.91 1ddb h ARG 32 N 2.33 -0.22 -0.51 7.08 2.43 -1.98 0.94 114.38 124.45 1ddb h ARG 32 Ca -0.29 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1ddb h ARG 32 Cb 1.25 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 1ddb h ARG 32 CO 0.41 -0.15 0.44 1.96 -1.51 0.00 0.00 179.97 181.13 1ddb h GLN 33 N -0.23 0.00 0.37 0.20 1.08 -2.00 -1.17 115.11 113.37 1ddb h GLN 33 Ca 0.19 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1ddb h GLN 33 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1ddb h GLN 33 CO -0.61 0.00 -0.18 1.49 -0.95 0.00 0.00 178.83 178.58 1ddb h GLU 34 N 0.00 -0.47 -1.05 1.46 4.57 0.49 -0.58 114.58 119.00 1ddb h GLU 34 Ca 0.24 0.03 0.30 0.00 -1.18 0.00 0.00 59.36 58.75 1ddb h GLU 34 Cb 1.12 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 29.70 1ddb h GLU 34 CO -0.00 -0.16 0.64 -0.07 -1.18 0.00 0.00 179.01 178.24 1ddb h LEU 35 N -0.91 0.51 -0.18 1.64 4.07 -0.24 0.96 115.31 121.16 1ddb h LEU 35 Ca -0.05 0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 1ddb h LEU 35 Cb 0.54 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 1ddb h LEU 35 CO 0.08 -0.01 -0.21 -0.08 -1.08 0.00 0.00 178.44 177.14 1ddb h GLU 36 N 0.39 0.45 0.77 1.13 4.57 -1.34 3.10 114.58 123.66 1ddb h GLU 36 Ca 0.68 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1ddb h GLU 36 Cb 1.60 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 30.22 1ddb h GLU 36 CO -0.46 0.83 -0.37 -0.24 -1.18 0.00 0.00 179.01 177.60 1ddb h VAL 37 N 0.10 0.15 -0.20 0.32 3.04 0.16 0.19 116.25 120.01 1ddb h VAL 37 Ca 0.02 -0.16 -0.09 0.00 -1.01 0.00 0.00 66.70 65.47 1ddb h VAL 37 Cb 0.77 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1ddb h VAL 37 CO 0.05 0.01 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.33 1ddb h LEU 38 N -1.16 0.55 -0.42 3.16 3.38 0.57 -3.20 115.31 118.18 1ddb h LEU 38 Ca -0.11 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.47 1ddb h LEU 38 Cb 0.81 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1ddb h LEU 38 CO 0.17 0.92 -0.17 1.23 0.09 0.00 0.00 178.44 180.69 1ddb h GLY 39 N 0.19 0.17 -7.12 0.83 0.00 0.57 -3.33 103.07 94.37 1ddb h GLY 39 Ca 0.03 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1ddb h GLY 39 CO 0.05 -0.19 0.22 -2.13 0.00 0.00 0.00 176.54 174.50 1ddb n ARG 40 N -5.36 0.17 -3.75 4.80 3.00 0.65 -4.79 116.66 111.38 1ddb n ARG 40 Ca 0.03 -1.24 -0.15 0.00 -0.00 0.00 0.00 57.85 56.49 1ddb n ARG 40 Cb 0.27 -3.39 -0.15 0.00 0.00 0.00 0.00 32.46 29.19 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1ddb s GLU 41 N 8.11 0.03 -0.44 -0.14 -1.05 -1.25 -4.96 118.70 118.99 1ddb s GLU 41 Ca 0.76 0.32 -0.13 0.00 -0.15 0.00 0.00 54.97 55.76 1ddb s GLU 41 Cb -0.09 -0.23 0.06 0.00 -0.44 0.00 0.00 34.13 33.43 1ddb s GLU 41 CO 0.16 -0.18 0.34 -0.51 0.95 0.00 0.00 175.26 176.01 1ddb s LEU 42 N 1.26 5.38 -1.18 1.83 2.01 -1.26 -4.97 118.68 121.75 1ddb s LEU 42 Ca -0.08 -1.30 -0.11 0.00 0.01 0.00 0.00 54.13 52.65 1ddb s LEU 42 Cb -0.12 -2.12 -0.07 0.00 0.01 0.00 0.00 46.19 43.89 1ddb s LEU 42 CO -0.05 -0.58 2.34 -0.81 1.01 0.00 0.00 176.35 178.27 1ddb n PRO 43 N 5.11 2.57 -1.40 1.29 -0.04 -1.26 -4.93 135.00 136.34 1ddb n PRO 43 Ca -0.12 -1.91 -0.51 0.00 -0.04 0.00 0.00 63.50 60.92 1ddb n PRO 43 Cb 0.44 -2.75 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 1ddb n PRO 43 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ddb n VAL 44 N 4.46 1.05 -2.11 0.52 0.31 -1.26 -4.49 118.33 116.81 1ddb n VAL 44 Ca 0.56 -0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.71 1ddb n VAL 44 Cb 0.24 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.16 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 1.19 -1.09 -3.20 5.55 1.13 -1.26 -4.83 117.38 114.87 1ddb n GLN 45 Ca 0.18 0.72 0.04 0.00 -1.94 0.00 0.00 57.00 56.00 1ddb n GLN 45 Cb 0.17 -1.33 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb s ALA 46 N -1.65 -2.69 0.19 -1.58 0.00 -1.26 -4.29 121.76 110.47 1ddb s ALA 46 Ca 0.00 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.65 1ddb s ALA 46 Cb 0.00 -2.25 0.30 0.00 0.00 0.00 0.00 23.12 21.17 1ddb s ALA 46 CO 0.00 -1.32 1.05 0.98 0.00 0.00 0.00 175.76 176.47 1ddb n TYR 47 N 5.41 0.22 -1.42 0.00 9.36 -1.26 -4.88 117.16 124.60 1ddb n TYR 47 Ca -0.04 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.00 1ddb n TYR 47 Cb 0.52 -0.88 0.00 0.00 -0.63 0.00 0.00 39.34 38.35 1ddb n TYR 47 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ddb n TRP 48 N -5.09 -3.89 0.07 2.98 7.02 -1.26 -5.04 117.44 112.23 1ddb n TRP 48 Ca 0.10 2.10 0.00 0.00 -1.02 0.00 0.00 57.50 58.68 1ddb n TRP 48 Cb 0.33 -3.28 0.00 0.00 -2.42 0.00 0.00 31.31 25.95 1ddb n TRP 48 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1ddb n GLU 49 N -1.84 0.00 -2.14 -0.99 0.28 -1.26 -5.15 120.64 109.54 1ddb n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ddb n GLU 49 Cb 0.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.12 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 -2.87 -2.05 -3.57 -1.84 0.00 -1.26 -5.08 120.51 103.85 1ddb n ALA 50 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 1ddb n ALA 50 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1ddb n ALA 50 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ddb s ASP 51 N -0.54 -0.38 0.00 0.00 1.47 -1.26 -5.18 116.67 110.78 1ddb s ASP 51 Ca 0.00 0.37 0.00 0.00 1.18 0.00 0.00 52.55 54.10 1ddb s ASP 51 Cb 0.00 0.32 0.00 0.00 -0.34 0.00 0.00 42.92 42.90 1ddb s ASP 51 CO 0.00 -0.38 0.00 -0.11 0.68 0.00 0.00 175.17 175.36 1ddb n LEU 52 N 0.63 0.00 -3.73 2.11 7.94 -1.26 -5.17 117.00 117.52 1ddb n LEU 52 Ca -0.10 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.66 1ddb n LEU 52 Cb 0.58 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.39 1ddb n LEU 52 CO 0.16 0.00 -0.21 -0.70 -1.11 0.00 0.00 177.39 175.53 1ddb s GLU 53 N -1.33 0.11 0.38 1.96 2.56 -1.26 -5.15 118.70 115.96 1ddb s GLU 53 Ca 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 54.97 55.32 1ddb s GLU 53 Cb 0.00 -0.18 0.03 0.00 2.00 0.00 0.00 34.13 35.98 1ddb s GLU 53 CO 0.00 -0.18 0.64 0.16 -0.56 0.00 0.00 175.26 175.32 1ddb s ASP 54 N 1.35 0.55 0.00 -1.70 1.47 -1.26 -5.10 116.67 111.97 1ddb s ASP 54 Ca -0.08 -1.37 0.00 0.00 1.18 0.00 0.00 52.55 52.28 1ddb s ASP 54 Cb -0.11 0.77 0.00 0.00 -0.34 0.00 0.00 42.92 43.24 1ddb s ASP 54 CO -0.06 -1.52 0.00 1.21 0.68 0.00 0.00 175.17 175.47 1ddb n GLU 55 N -0.57 0.00 -3.63 2.11 4.07 -1.26 -5.13 120.64 116.23 1ddb n GLU 55 Ca -0.04 0.41 -0.09 0.00 -0.06 0.00 0.00 57.16 57.39 1ddb n GLU 55 Cb 0.61 -0.79 -0.07 0.00 -0.06 0.00 0.00 31.44 31.12 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1ddb s LEU 56 N 0.00 -0.42 0.00 4.31 -0.00 -1.26 -5.17 118.68 116.14 1ddb s LEU 56 Ca 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 54.13 54.92 1ddb s LEU 56 Cb 0.00 1.83 0.00 0.00 -0.00 0.00 0.00 46.19 48.02 1ddb s LEU 56 CO 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 176.35 176.19 1ddb n GLN 57 N 2.06 0.00 -3.70 1.48 1.13 -1.26 -5.18 117.38 111.91 1ddb n GLN 57 Ca -0.12 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.80 1ddb n GLN 57 Cb 0.56 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.82 1ddb n GLN 57 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1ddb s THR 58 N -0.85 0.00 0.14 5.09 -1.32 -1.26 -5.17 115.64 112.28 1ddb s THR 58 Ca 0.00 -0.03 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 1ddb s THR 58 Cb 0.00 -0.69 0.07 0.00 -1.51 0.00 0.00 72.50 70.36 1ddb s THR 58 CO 0.00 -0.02 0.95 -0.62 -2.21 0.00 0.00 174.62 172.72 1ddb s ASP 59 N 0.10 -0.20 0.00 8.08 2.15 -1.26 -5.19 116.67 120.36 1ddb s ASP 59 Ca -0.01 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.60 1ddb s ASP 59 Cb -0.03 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1ddb s ASP 59 CO 0.01 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1ddb n GLY 60 N -0.45 4.45 3.22 2.66 0.00 -1.26 -5.19 105.19 108.62 1ddb n GLY 60 Ca -0.06 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 61 N 1.42 1.41 0.50 1.61 1.04 -1.26 -5.09 113.70 113.33 1ddb s SER 61 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1ddb s SER 61 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1ddb s SER 61 CO 0.00 -0.45 0.00 1.67 0.98 0.00 0.00 173.24 175.44 1ddb n GLN 62 N -0.16 -3.31 -1.75 4.02 0.00 -1.26 -4.94 117.38 109.98 1ddb n GLN 62 Ca -0.10 2.60 -0.30 0.00 -0.00 0.00 0.00 57.00 59.20 1ddb n GLN 62 Cb 0.61 -3.35 0.17 0.00 0.00 0.00 0.00 30.24 27.68 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ddb s ALA 63 N -4.93 2.03 0.28 1.69 0.00 -1.26 -5.09 121.76 114.46 1ddb s ALA 63 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1ddb s ALA 63 Cb 0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 1ddb s ALA 63 CO 0.00 -2.43 -0.09 -1.54 0.00 0.00 0.00 175.76 171.70 1ddb s SER 64 N -4.58 2.95 -0.02 0.00 1.04 -1.26 -5.14 113.70 106.68 1ddb s SER 64 Ca 0.70 -1.15 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1ddb s SER 64 Cb -0.07 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 1ddb s SER 64 CO 0.53 -0.26 0.20 -0.60 0.98 0.00 0.00 173.24 174.09 1ddb s ARG 65 N -3.68 3.47 0.00 4.02 3.00 -1.26 -5.05 118.95 119.46 1ddb s ARG 65 Ca 0.29 -0.23 0.00 0.00 -1.00 0.00 0.00 55.73 54.78 1ddb s ARG 65 Cb 0.02 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.86 1ddb s ARG 65 CO 0.12 0.68 0.00 -1.13 0.00 0.00 0.00 175.30 174.97 1ddb n SER 66 N 1.14 0.00 -3.15 -2.12 3.41 -1.26 -5.13 113.62 106.50 1ddb n SER 66 Ca -0.12 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.53 1ddb n SER 66 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1ddb n SER 66 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ddb s PHE 67 N -1.86 -1.46 0.22 7.33 -0.71 -1.26 -5.16 117.98 115.08 1ddb s PHE 67 Ca 0.00 1.56 -0.23 0.00 -1.04 0.00 0.00 56.93 57.22 1ddb s PHE 67 Cb 0.00 0.52 0.04 0.00 -1.21 0.00 0.00 43.02 42.37 1ddb s PHE 67 CO 0.00 -0.80 0.82 1.21 -1.34 0.00 0.00 175.22 175.11 1ddb s ASN 68 N 2.87 -0.24 -0.11 1.98 3.84 -1.26 -5.16 114.94 116.86 1ddb s ASN 68 Ca 0.18 -0.49 -0.01 0.00 0.21 0.00 0.00 52.86 52.74 1ddb s ASN 68 Cb -0.14 0.62 -0.03 0.00 -0.55 0.00 0.00 41.25 41.15 1ddb s ASN 68 CO -0.20 -1.14 -0.07 -1.58 -2.79 0.00 0.00 177.10 171.32 1ddb s GLN 69 N -3.64 3.23 -0.06 0.43 0.74 -1.26 -5.10 119.66 114.00 1ddb s GLN 69 Ca 0.11 -0.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 1ddb s GLN 69 Cb -0.04 -2.72 0.11 0.00 1.10 0.00 0.00 33.01 31.46 1ddb s GLN 69 CO 0.04 0.41 0.91 0.20 -0.55 0.00 0.00 175.29 176.30 1ddb s GLY 70 N -0.12 -0.41 -0.15 2.59 0.00 -1.26 -5.16 107.32 102.81 1ddb s GLY 70 Ca 0.01 1.34 -0.06 0.00 0.00 0.00 0.00 44.72 46.01 1ddb s GLY 70 CO 0.03 0.59 0.32 0.50 0.00 0.00 0.00 173.10 174.54 1ddb s ARG 71 N -2.39 0.24 -0.34 2.90 0.52 -1.26 -5.11 118.95 113.52 1ddb s ARG 71 Ca 0.02 0.78 0.04 0.00 -0.52 0.00 0.00 55.73 56.05 1ddb s ARG 71 Cb -0.01 0.04 0.17 0.00 0.52 0.00 0.00 34.95 35.67 1ddb s ARG 71 CO -0.05 -0.23 0.47 0.96 0.02 0.00 0.00 175.30 176.47 1ddb s ILE 72 N 2.09 -0.67 -0.40 1.52 -5.25 -1.26 -5.12 121.20 112.12 1ddb s ILE 72 Ca -0.03 -0.40 -0.20 0.00 -0.99 0.00 0.00 60.65 59.04 1ddb s ILE 72 Cb -0.11 -0.69 0.01 0.00 2.95 0.00 0.00 42.46 44.62 1ddb s ILE 72 CO -0.10 -0.28 0.58 -1.83 -1.79 0.00 0.00 174.94 171.52 1ddb s GLU 73 N 2.11 3.43 0.69 0.37 -1.05 -1.26 -5.05 118.70 117.93 1ddb s GLU 73 Ca 0.13 -0.28 -0.11 0.00 -0.15 0.00 0.00 54.97 54.56 1ddb s GLU 73 Cb -0.11 -3.89 0.01 0.00 -0.44 0.00 0.00 34.13 29.70 1ddb s GLU 73 CO -0.17 -0.84 1.06 -1.25 0.95 0.00 0.00 175.26 175.00 1ddb s PRO 74 N 2.60 2.96 0.00 -4.83 0.04 -1.26 -5.05 135.00 129.47 1ddb s PRO 74 Ca 0.21 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1ddb s PRO 74 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1ddb s PRO 74 CO 0.16 -1.08 0.00 -0.25 0.04 0.00 0.00 177.00 175.87 1ddb n ASP 75 N -3.08 0.00 -3.44 6.66 8.00 -1.26 -5.17 116.55 118.27 1ddb n ASP 75 Ca 0.08 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.59 1ddb n ASP 75 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 1ddb n ASP 75 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ddb s SER 76 N 0.00 -0.30 -0.04 -2.24 0.01 -1.26 -4.66 113.70 105.21 1ddb s SER 76 Ca 0.00 0.44 -0.30 0.00 1.31 0.00 0.00 55.95 57.40 1ddb s SER 76 Cb 0.00 1.26 0.11 0.00 0.21 0.00 0.00 66.02 67.60 1ddb s SER 76 CO 0.00 -0.06 0.98 -0.70 0.41 0.00 0.00 173.24 173.87 1ddb s GLU 77 N 1.80 0.71 0.00 12.44 2.12 -1.22 -4.96 118.70 129.60 1ddb s GLU 77 Ca -0.04 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1ddb s GLU 77 Cb -0.03 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1ddb s GLU 77 CO -0.15 -0.31 0.00 0.45 -0.54 0.00 0.00 175.26 174.71 1ddb n SER 78 N -0.23 0.00 -0.46 -1.70 2.88 -1.26 -0.99 113.62 111.85 1ddb n SER 78 Ca -0.06 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.50 1ddb n SER 78 Cb 0.61 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1ddb n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n GLN 79 N -0.09 -0.29 -1.41 -1.46 1.13 -1.26 -5.05 117.38 108.95 1ddb n GLN 79 Ca 0.00 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1ddb n GLN 79 Cb 0.00 -0.35 0.00 0.00 0.11 0.00 0.00 30.24 30.00 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 -1.19 -3.86 -2.53 -1.09 1.02 -1.26 -4.59 120.64 107.13 1ddb n GLU 80 Ca 0.00 2.94 -0.40 0.00 -0.02 0.00 0.00 57.16 59.68 1ddb n GLU 80 Cb 0.06 -3.51 -0.03 0.00 -0.02 0.00 0.00 31.44 27.94 1ddb n GLU 80 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ddb s GLU 81 N -4.69 3.55 0.00 3.49 1.03 -1.26 -4.68 118.70 116.14 1ddb s GLU 81 Ca 0.00 -1.11 0.22 0.00 0.03 0.00 0.00 54.97 54.11 1ddb s GLU 81 Cb 0.00 -5.35 -0.05 0.00 -0.80 0.00 0.00 34.13 27.93 1ddb s GLU 81 CO 0.00 -2.28 1.03 1.51 -1.33 0.00 0.00 175.26 174.19 1ddb n ILE 82 N 6.92 0.00 -0.04 1.83 3.06 -1.26 -4.30 119.36 125.57 1ddb n ILE 82 Ca 0.34 -0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.51 1ddb n ILE 82 Cb 0.51 0.82 -0.02 0.00 0.54 0.00 0.00 39.64 41.48 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1ddb h ILE 83 N 0.00 0.70 -0.05 9.51 5.03 -1.97 0.12 117.51 130.85 1ddb h ILE 83 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 1ddb h ILE 83 Cb 0.50 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 34.98 1ddb h ILE 83 CO 0.00 0.00 -0.08 0.45 -0.68 0.00 0.00 178.15 177.84 1ddb h HIS 84 N -0.06 0.07 0.08 1.37 3.86 -1.94 -1.25 115.15 117.27 1ddb h HIS 84 Ca 0.11 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1ddb h HIS 84 Cb 0.23 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1ddb h HIS 84 CO -0.26 0.15 -0.04 -0.97 0.86 0.00 0.00 177.93 177.67 1ddb h ASN 85 N 0.07 -0.09 0.24 2.45 -1.24 -1.03 -1.66 115.58 114.32 1ddb h ASN 85 Ca 0.02 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1ddb h ASN 85 Cb 0.18 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1ddb h ASN 85 CO 0.01 -0.05 -0.24 -0.29 -1.29 0.00 0.00 177.43 175.57 1ddb h ILE 86 N -0.12 1.16 -0.24 2.57 6.09 -0.61 -1.84 117.51 124.53 1ddb h ILE 86 Ca -0.01 -0.81 0.05 0.00 -1.37 0.00 0.00 64.86 62.72 1ddb h ILE 86 Cb 0.10 1.44 -0.05 0.00 0.47 0.00 0.00 36.82 38.78 1ddb h ILE 86 CO 0.02 0.23 -0.09 0.00 -3.07 0.00 0.00 178.15 175.24 1ddb h ALA 87 N 1.76 0.12 -0.39 0.18 0.00 -0.32 0.15 119.26 120.77 1ddb h ALA 87 Ca -0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1ddb h ALA 87 Cb 0.42 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ddb h ALA 87 CO 0.03 -0.50 -0.19 0.00 0.00 0.00 0.00 179.25 178.59 1ddb h ARG 88 N -0.05 0.81 0.00 0.00 3.08 -1.02 -2.20 114.38 115.00 1ddb h ARG 88 Ca 0.12 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1ddb h ARG 88 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ddb h ARG 88 CO -0.27 0.99 0.00 1.25 -1.07 0.00 0.00 179.97 180.87 1ddb h HIS 89 N 0.62 0.00 0.46 3.04 2.76 -0.61 -2.66 115.15 118.76 1ddb h HIS 89 Ca 0.09 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1ddb h HIS 89 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1ddb h HIS 89 CO 0.06 0.00 -0.23 1.25 -1.30 0.00 0.00 177.93 177.71 1ddb h LEU 90 N 0.00 -0.54 0.23 0.26 5.85 -0.07 0.59 115.31 121.63 1ddb h LEU 90 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ddb h LEU 90 Cb 0.01 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1ddb h LEU 90 CO 0.00 -0.38 -0.26 0.00 -0.34 0.00 0.00 178.44 177.46 1ddb h ALA 91 N -1.70 -0.52 -0.61 1.25 0.00 -1.60 0.02 119.26 116.09 1ddb h ALA 91 Ca -0.06 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1ddb h ALA 91 Cb 0.48 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1ddb h ALA 91 CO 0.10 -0.83 0.53 0.37 0.00 0.00 0.00 179.25 179.42 1ddb h GLN 92 N -0.54 0.00 -0.27 0.00 4.15 -1.51 0.65 115.11 117.60 1ddb h GLN 92 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1ddb h GLN 92 Cb 0.51 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ddb h GLN 92 CO -0.07 0.00 -0.49 0.82 -1.93 0.00 0.00 178.83 177.15 1ddb h ILE 93 N 0.00 1.29 0.37 2.39 1.08 0.21 0.11 117.51 122.96 1ddb h ILE 93 Ca 0.29 -1.69 -0.02 0.00 -0.39 0.00 0.00 64.86 63.05 1ddb h ILE 93 Cb 1.34 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1ddb h ILE 93 CO -0.00 0.54 -0.19 1.23 -0.69 0.00 0.00 178.15 179.04 1ddb h GLY 94 N 0.89 -0.54 0.80 5.37 0.00 0.11 1.56 103.07 111.27 1ddb h GLY 94 Ca 0.03 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1ddb h GLY 94 CO 0.10 -0.20 -0.05 -1.80 0.00 0.00 0.00 176.54 174.59 1ddb h ASP 95 N -0.52 -0.13 -0.75 0.19 3.58 -1.48 -2.19 116.42 115.12 1ddb h ASP 95 Ca -0.05 -0.17 0.05 0.00 0.42 0.00 0.00 57.03 57.29 1ddb h ASP 95 Cb 0.41 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.44 1ddb h ASP 95 CO 0.07 0.09 0.46 -0.08 -2.88 0.00 0.00 179.24 176.90 1ddb h GLU 96 N -0.35 0.83 -0.66 0.28 4.81 -0.89 -1.94 114.58 116.66 1ddb h GLU 96 Ca -0.02 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1ddb h GLU 96 Cb 0.29 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1ddb h GLU 96 CO 0.03 0.55 0.29 0.52 -0.73 0.00 0.00 179.01 179.67 1ddb h MET 97 N 0.86 0.48 -1.93 1.92 2.86 0.25 0.54 114.93 119.91 1ddb h MET 97 Ca 0.32 -0.03 0.56 0.00 -2.06 0.00 0.00 59.70 58.49 1ddb h MET 97 Cb 0.12 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 1ddb h MET 97 CO -0.15 0.32 1.40 0.22 1.06 0.00 0.00 176.91 179.75 1ddb h ASP 98 N 0.50 0.00 -0.04 1.22 3.58 -0.70 1.29 116.42 122.27 1ddb h ASP 98 Ca 0.33 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.81 1ddb h ASP 98 Cb 0.39 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 1ddb h ASP 98 CO -0.30 0.00 -0.15 -0.74 -2.88 0.00 0.00 179.24 175.17 1ddb h HIS 99 N 0.00 -0.39 -1.98 0.28 2.76 -0.98 -3.38 115.15 111.46 1ddb h HIS 99 Ca 0.91 0.02 -0.41 0.00 -2.20 0.00 0.00 60.37 58.69 1ddb h HIS 99 Cb 3.70 0.18 -0.31 0.00 1.55 0.00 0.00 27.41 32.52 1ddb h HIS 99 CO 0.00 -0.22 -0.74 0.54 -1.30 0.00 0.00 177.93 176.20 1ddb s ASN 100 N -5.01 1.05 -0.27 3.26 4.22 0.44 -5.08 114.94 113.55 1ddb s ASN 100 Ca -0.14 -2.01 -0.03 0.00 -2.14 0.00 0.00 52.86 48.54 1ddb s ASN 100 Cb 0.09 0.41 0.11 0.00 1.28 0.00 0.00 41.25 43.15 1ddb s ASN 100 CO 0.67 -0.22 0.20 -0.63 -2.04 0.00 0.00 177.10 175.09 1ddb s ILE 101 N 1.00 -0.23 0.00 0.54 -1.09 -0.88 -4.91 121.20 115.63 1ddb s ILE 101 Ca 0.22 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 1ddb s ILE 101 Cb -0.10 -0.92 0.00 0.00 -1.58 0.00 0.00 42.46 39.86 1ddb s ILE 101 CO -0.06 -0.54 0.00 0.00 -1.23 0.00 0.00 174.94 173.11 1ddb n GLN 102 N 5.28 0.00 0.00 2.79 6.02 -1.26 -4.76 117.38 125.46 1ddb n GLN 102 Ca -0.04 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.01 1ddb n GLN 102 Cb 0.45 0.00 0.39 0.00 1.02 0.00 0.00 30.24 32.10 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ddb n PRO 103 N 0.00 0.75 0.00 -1.09 -0.04 -1.26 -3.99 135.00 129.37 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 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.77 0.00 0.00 0.52 -1.04 -1.26 -4.99 114.28 106.74 1ddb n THR 104 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ddb n THR 104 Cb 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 4.77 -1.26 -4.93 117.00 111.17 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 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ddb n LEU 105 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.39 1ddb n VAL 106 N 0.00 0.00 0.32 4.08 0.24 -1.26 0.13 118.33 121.84 1ddb n VAL 106 Ca 0.00 0.34 0.07 0.00 -2.04 0.00 0.00 64.34 62.71 1ddb n VAL 106 Cb 0.00 -1.14 0.38 0.00 -1.47 0.00 0.00 33.84 31.61 1ddb n VAL 106 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1ddb h ARG 107 N 0.00 0.00 0.25 7.34 0.11 -1.92 0.37 114.38 120.54 1ddb h ARG 107 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1ddb h ARG 107 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1ddb h ARG 107 CO 0.00 0.00 -0.12 1.96 0.10 0.00 0.00 179.97 181.91 1ddb h GLN 108 N 0.00 -0.33 0.83 0.08 7.50 -1.82 -0.64 115.11 120.73 1ddb h GLN 108 Ca 0.00 0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.13 1ddb h GLN 108 Cb 1.32 0.07 0.01 0.00 0.05 0.00 0.00 27.48 28.94 1ddb h GLN 108 CO 0.00 0.03 -0.40 1.37 -1.50 0.00 0.00 178.83 178.33 1ddb h LEU 109 N -0.81 -0.95 -0.79 1.46 8.10 0.54 -1.36 115.31 121.49 1ddb h LEU 109 Ca -0.03 0.03 0.18 0.00 0.11 0.00 0.00 57.88 58.16 1ddb h LEU 109 Cb 0.51 0.25 -0.14 0.00 -0.44 0.00 0.00 40.66 40.83 1ddb h LEU 109 CO 0.06 -0.59 -0.06 0.00 -4.11 0.00 0.00 178.44 173.73 1ddb h ALA 110 N -1.28 0.74 0.00 0.17 0.00 -1.49 3.42 119.26 120.82 1ddb h ALA 110 Ca -0.11 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ddb h ALA 110 Cb 0.86 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ddb h ALA 110 CO 0.19 -0.43 -0.00 0.00 0.00 0.00 0.00 179.25 179.00 1ddb h ALA 111 N 1.77 1.01 -0.29 0.00 0.00 -0.97 -2.34 119.26 118.44 1ddb h ALA 111 Ca 0.42 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.39 1ddb h ALA 111 Cb 0.73 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1ddb h ALA 111 CO -0.75 0.00 -0.03 -0.56 0.00 0.00 0.00 179.25 177.91 1ddb h GLN 112 N 0.00 0.04 -0.66 0.00 -0.00 0.76 -1.89 115.11 113.37 1ddb h GLN 112 Ca -0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1ddb h GLN 112 Cb 0.12 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.56 1ddb h GLN 112 CO 0.00 0.03 0.22 0.27 -0.00 0.00 0.00 178.83 179.35 1ddb h PHE 113 N 0.05 1.05 -0.68 0.06 -5.15 -1.38 -2.24 116.94 108.65 1ddb h PHE 113 Ca 0.14 -0.10 0.20 0.00 -0.20 0.00 0.00 57.97 58.00 1ddb h PHE 113 Cb 0.20 -0.30 -0.03 0.00 0.22 0.00 0.00 35.95 36.04 1ddb h PHE 113 CO -0.24 0.84 0.63 1.98 -2.00 0.00 0.00 178.31 179.51 1ddb h MET 114 N 0.95 0.00 -4.66 6.09 4.05 -1.36 -2.80 114.93 117.20 1ddb h MET 114 Ca 0.21 0.00 -0.65 0.00 -0.28 0.00 0.00 59.70 58.99 1ddb h MET 114 Cb 0.28 0.00 -0.38 0.00 -0.80 0.00 0.00 31.60 30.70 1ddb h MET 114 CO -0.01 0.00 -0.79 1.21 0.23 0.00 0.00 176.91 177.55 1ddb s ASN 115 N -5.12 4.26 0.00 1.39 3.84 -0.84 -4.56 114.94 113.91 1ddb s ASN 115 Ca -0.04 -1.39 0.00 0.00 0.21 0.00 0.00 52.86 51.64 1ddb s ASN 115 Cb 0.17 -1.42 0.00 0.00 -0.55 0.00 0.00 41.25 39.46 1ddb s ASN 115 CO 0.61 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 175.31 1ddb n GLY 116 N 4.51 1.02 2.63 1.21 0.00 -1.25 -4.83 105.19 108.47 1ddb n GLY 116 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1ddb n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ddb n SER 117 N 0.00 -1.93 0.00 1.61 2.88 -1.05 -5.06 113.62 110.06 1ddb n SER 117 Ca 0.00 -3.42 0.00 0.00 -1.33 0.00 0.00 58.87 54.12 1ddb n SER 117 Cb 0.00 1.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1ddb n SER 117 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ddb n LEU 118 N 0.82 0.00 -4.27 2.46 7.94 -1.26 -4.50 117.00 118.18 1ddb n LEU 118 Ca 0.10 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.66 1ddb n LEU 118 Cb 0.66 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.47 1ddb n LEU 118 CO 0.07 0.00 -0.42 -0.55 -1.11 0.00 0.00 177.39 175.38 1ddb s SER 119 N 0.00 4.01 -0.48 1.96 0.15 -1.26 -4.60 113.70 113.48 1ddb s SER 119 Ca 0.00 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1ddb s SER 119 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 1ddb s SER 119 CO 0.00 0.00 0.00 -0.62 1.20 0.00 0.00 173.24 173.82 1ddb n GLU 120 N 4.64 -2.14 -0.88 5.44 1.02 -1.26 -3.24 120.64 124.22 1ddb n GLU 120 Ca -0.19 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1ddb n GLU 120 Cb 0.51 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 1ddb n GLU 120 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ddb n GLU 121 N -2.19 0.00 -0.04 3.49 0.00 -1.26 -5.08 120.64 115.56 1ddb n GLU 121 Ca -0.06 0.29 -0.05 0.00 0.00 0.00 0.00 57.16 57.34 1ddb n GLU 121 Cb 0.42 -0.59 -0.02 0.00 0.00 0.00 0.00 31.44 31.25 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ddb n ASP 122 N 0.00 1.50 -3.65 4.31 9.92 -1.20 -5.10 116.55 122.34 1ddb n ASP 122 Ca 0.00 0.24 -0.18 0.00 -0.53 0.00 0.00 54.79 54.32 1ddb n ASP 122 Cb 0.00 -0.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.82 1ddb n ASP 122 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1ddb s LYS 123 N -2.45 1.63 0.00 -1.24 0.00 -1.26 -5.03 119.74 111.40 1ddb s LYS 123 Ca -0.17 -1.94 0.07 0.00 0.00 0.00 0.00 55.97 53.93 1ddb s LYS 123 Cb 0.02 0.21 0.10 0.00 0.00 0.00 0.00 37.83 38.17 1ddb s LYS 123 CO 0.25 -0.56 0.87 2.89 0.00 0.00 0.00 175.35 178.80 1ddb n ARG 124 N -0.56 1.00 0.11 1.78 0.00 -1.26 -4.51 116.66 113.21 1ddb n ARG 124 Ca 0.05 -1.23 -0.03 0.00 -0.00 0.00 0.00 57.85 56.64 1ddb n ARG 124 Cb 0.63 -1.14 0.18 0.00 -0.00 0.00 0.00 32.46 32.13 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1ddb h ASN 125 N 1.29 0.18 -0.57 2.89 -0.73 -1.96 -3.18 115.58 113.50 1ddb h ASN 125 Ca 0.00 -0.09 0.07 0.00 1.87 0.00 0.00 56.30 58.14 1ddb h ASN 125 Cb 0.41 -0.05 -0.10 0.00 0.27 0.00 0.00 38.32 38.85 1ddb h ASN 125 CO 0.00 0.68 -0.54 0.00 -0.37 0.00 0.00 177.43 177.20 1ddb h LEU 127 N -0.28 -0.10 -1.90 0.00 -0.00 -1.88 0.95 115.31 112.10 1ddb h LEU 127 Ca 0.11 0.01 0.37 0.00 -0.00 0.00 0.00 57.88 58.37 1ddb h LEU 127 Cb 0.55 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.20 1ddb h LEU 127 CO -0.69 -0.04 0.98 0.00 -0.00 0.00 0.00 178.44 178.69 1ddb h ALA 128 N -1.51 3.18 -0.14 0.17 0.00 -1.42 2.41 119.26 121.96 1ddb h ALA 128 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ddb h ALA 128 Cb 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ddb h ALA 128 CO -0.02 -1.64 0.09 -0.22 0.00 0.00 0.00 179.25 177.47 1ddb h LYS 129 N 0.00 0.14 -0.07 0.00 1.63 0.65 -1.72 116.57 117.20 1ddb h LYS 129 Ca 0.61 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.35 1ddb h LYS 129 Cb 2.56 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 34.16 1ddb h LYS 129 CO -0.01 0.09 -0.15 0.00 -3.45 0.00 0.00 179.45 175.93 1ddb h ALA 130 N 1.92 0.11 -1.00 5.00 0.00 0.46 -2.45 119.26 123.31 1ddb h ALA 130 Ca 0.05 -0.35 0.29 0.00 0.00 0.00 0.00 54.91 54.90 1ddb h ALA 130 Cb 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.63 1ddb h ALA 130 CO -0.01 0.02 0.07 -0.11 0.00 0.00 0.00 179.25 179.22 1ddb n LEU 131 N -4.60 -0.07 -0.09 0.00 0.00 -0.66 0.24 117.00 111.82 1ddb n LEU 131 Ca -0.08 1.69 -0.14 0.00 0.00 0.00 0.00 56.01 57.48 1ddb n LEU 131 Cb 0.38 -0.64 -0.04 0.00 0.00 0.00 0.00 43.42 43.13 1ddb n LEU 131 CO 0.38 -1.73 0.49 -0.78 0.00 0.00 0.00 177.39 175.75 1ddb h ASP 132 N 0.00 0.90 0.67 1.96 3.58 -1.49 -2.35 116.42 119.69 1ddb h ASP 132 Ca 0.63 -0.51 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1ddb h ASP 132 Cb 1.34 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 42.14 1ddb h ASP 132 CO -0.92 1.23 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.01 1ddb h GLU 133 N 0.59 -0.87 -0.90 0.28 4.39 0.33 0.72 114.58 119.12 1ddb h GLU 133 Ca 0.03 0.06 0.25 0.00 0.34 0.00 0.00 59.36 60.04 1ddb h GLU 133 Cb 1.03 0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 29.73 1ddb h GLU 133 CO 0.10 -0.58 0.20 -0.24 -1.16 0.00 0.00 179.01 177.33 1ddb h VAL 134 N -1.11 0.23 -0.04 3.13 3.04 0.31 1.94 116.25 123.76 1ddb h VAL 134 Ca -0.09 -0.05 -0.14 0.00 -1.01 0.00 0.00 66.70 65.41 1ddb h VAL 134 Cb 0.69 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.03 1ddb h VAL 134 CO 0.15 0.03 -0.62 0.11 -1.01 0.00 0.00 177.57 176.23 1ddb h LYS 135 N 0.15 0.13 -0.00 4.17 1.57 -1.31 0.96 116.57 122.23 1ddb h LYS 135 Ca 0.57 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1ddb h LYS 135 Cb 1.19 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1ddb h LYS 135 CO -0.72 0.71 0.08 0.00 -0.57 0.00 0.00 179.45 178.94 1ddb h THR 136 N 0.09 0.01 0.00 -0.16 1.03 0.96 0.55 112.91 115.39 1ddb h THR 136 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.28 1ddb h THR 136 Cb 1.11 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 69.10 1ddb h THR 136 CO 0.09 0.00 -1.40 0.00 -0.01 0.00 0.00 175.52 174.20 1ddb n ALA 137 N -2.04 2.32 -2.84 0.00 0.00 -0.63 -4.80 120.51 112.52 1ddb n ALA 137 Ca -0.03 -0.29 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1ddb n ALA 137 Cb 0.14 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -3.13 3.87 -2.54 0.00 -1.74 0.33 -5.07 117.46 109.18 1ddb n PHE 138 Ca -0.14 -3.75 -0.35 0.00 -0.56 0.00 0.00 57.45 52.66 1ddb n PHE 138 Cb 0.61 -0.50 -0.04 0.00 1.52 0.00 0.00 39.48 41.07 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -3.56 3.88 0.00 3.97 0.04 0.19 -4.40 135.00 135.11 1ddb s PRO 139 Ca 0.48 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1ddb s PRO 139 Cb 0.29 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ddb s PRO 139 CO -0.15 -0.37 0.00 -2.13 0.04 0.00 0.00 177.00 174.39 1ddb n ARG 140 N -0.78 -2.23 0.00 4.56 0.63 -1.26 -4.77 116.66 112.81 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ddb n ARG 140 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ddb n ASP 141 N 2.58 0.00 -0.30 6.15 8.00 -1.26 -3.47 116.55 128.24 1ddb n ASP 141 Ca 0.00 0.00 0.27 0.00 0.71 0.00 0.00 54.79 55.77 1ddb n ASP 141 Cb 0.00 0.00 0.60 0.00 -0.02 0.00 0.00 41.12 41.70 1ddb n ASP 141 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1ddb h MET 142 N 0.00 0.24 0.14 -1.24 2.86 -1.95 3.38 114.93 118.36 1ddb h MET 142 Ca 0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1ddb h MET 142 Cb 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1ddb h MET 142 CO 0.00 0.16 -0.11 0.93 1.06 0.00 0.00 176.91 178.94 1ddb h GLU 143 N 0.24 -0.24 0.02 1.72 4.39 -1.99 -1.93 114.58 116.79 1ddb h GLU 143 Ca 0.57 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 60.13 1ddb h GLU 143 Cb 1.73 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.44 1ddb h GLU 143 CO -0.18 -0.16 -0.60 -0.91 -1.16 0.00 0.00 179.01 176.00 1ddb h ASN 144 N -0.25 0.49 -0.85 1.42 -0.26 -1.61 -3.28 115.58 111.25 1ddb h ASN 144 Ca -0.02 -0.79 0.16 0.00 -0.56 0.00 0.00 56.30 55.10 1ddb h ASN 144 Cb 0.21 -0.15 -0.16 0.00 -1.06 0.00 0.00 38.32 37.16 1ddb h ASN 144 CO 0.00 1.22 -0.23 -0.67 -1.06 0.00 0.00 177.43 176.70 1ddb n ASP 145 N -4.23 -0.34 -0.09 5.81 -0.08 1.12 0.52 116.55 119.26 1ddb n ASP 145 Ca -0.11 1.46 0.18 0.00 -1.51 0.00 0.00 54.79 54.81 1ddb n ASP 145 Cb 0.68 -0.43 0.60 0.00 2.34 0.00 0.00 41.12 44.31 1ddb n ASP 145 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ddb h LYS 146 N 0.00 0.20 0.31 -0.67 2.10 -1.41 -0.80 116.57 116.30 1ddb h LYS 146 Ca 0.39 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1ddb h LYS 146 Cb 0.60 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1ddb h LYS 146 CO -0.87 0.13 -0.28 0.00 -2.00 0.00 0.00 179.45 176.43 1ddb h ALA 147 N 1.68 -0.61 -0.84 0.07 0.00 1.27 -1.69 119.26 119.14 1ddb h ALA 147 Ca 0.31 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.29 1ddb h ALA 147 Cb 0.95 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1ddb h ALA 147 CO -0.06 -0.87 0.41 0.00 0.00 0.00 0.00 179.25 178.73 1ddb h MET 148 N -0.61 0.54 -0.70 0.00 -0.00 -0.85 0.13 114.93 113.45 1ddb h MET 148 Ca -0.02 -0.03 0.08 0.00 -0.00 0.00 0.00 59.70 59.73 1ddb h MET 148 Cb 0.55 -0.12 -0.06 0.00 -0.00 0.00 0.00 31.60 31.97 1ddb h MET 148 CO -0.04 0.36 0.37 1.25 -0.00 0.00 0.00 176.91 178.84 1ddb h LEU 149 N 0.56 0.51 -1.77 -0.10 5.85 -1.06 0.22 115.31 119.53 1ddb h LEU 149 Ca 0.47 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.36 1ddb h LEU 149 Cb 0.72 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1ddb h LEU 149 CO -0.40 0.31 0.40 0.40 -0.34 0.00 0.00 178.44 178.81 1ddb h ILE 150 N 0.65 0.82 0.14 4.05 2.04 0.15 -1.42 117.51 123.93 1ddb h ILE 150 Ca 0.33 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 66.11 1ddb h ILE 150 Cb 0.29 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1ddb h ILE 150 CO -0.23 0.05 -0.16 0.24 0.00 0.00 0.00 178.15 178.04 1ddb h MET 151 N 0.25 -0.33 -0.45 2.37 2.86 -0.19 0.69 114.93 120.13 1ddb h MET 151 Ca 0.28 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 58.02 1ddb h MET 151 Cb 0.75 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1ddb h MET 151 CO -0.06 -0.22 0.07 1.79 1.06 0.00 0.00 176.91 179.55 1ddb h THR 152 N -0.34 0.73 0.00 2.22 1.35 -1.15 0.11 112.91 115.83 1ddb h THR 152 Ca 0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1ddb h THR 152 Cb 0.33 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1ddb h THR 152 CO -0.06 0.03 -0.11 0.24 -0.25 0.00 0.00 175.52 175.38 1ddb h MET 153 N 0.19 0.00 0.50 4.72 2.07 -1.18 -2.78 114.93 118.46 1ddb h MET 153 Ca 0.22 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.84 1ddb h MET 153 Cb 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 1ddb h MET 153 CO -0.31 0.11 -0.38 1.25 1.07 0.00 0.00 176.91 178.65 1ddb h LEU 154 N 0.00 -0.98 -0.61 1.22 7.12 0.16 1.85 115.31 124.08 1ddb h LEU 154 Ca -0.00 0.07 0.13 0.00 0.13 0.00 0.00 57.88 58.20 1ddb h LEU 154 Cb 0.22 0.31 -0.11 0.00 -0.53 0.00 0.00 40.66 40.55 1ddb h LEU 154 CO 0.01 -0.56 -0.10 -0.07 -0.13 0.00 0.00 178.44 177.60 1ddb h LEU 155 N -0.86 -0.47 -0.26 2.25 4.07 -1.26 0.36 115.31 119.15 1ddb h LEU 155 Ca -0.05 0.17 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1ddb h LEU 155 Cb 0.73 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 1ddb h LEU 155 CO 0.01 -0.17 0.06 0.00 -1.08 0.00 0.00 178.44 177.25 1ddb h ALA 156 N 1.59 0.35 -0.48 1.53 0.00 -1.36 3.08 119.26 123.96 1ddb h ALA 156 Ca 0.30 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1ddb h ALA 156 Cb 0.48 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1ddb h ALA 156 CO -0.59 0.01 -0.22 -0.22 0.00 0.00 0.00 179.25 178.23 1ddb h LYS 157 N 0.25 -0.11 0.01 0.00 1.63 0.53 -1.41 116.57 117.48 1ddb h LYS 157 Ca 0.08 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1ddb h LYS 157 Cb 0.30 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1ddb h LYS 157 CO 0.00 -0.07 -0.01 0.87 -3.45 0.00 0.00 179.45 176.79 1ddb h LYS 158 N -0.11 -0.02 -6.60 1.90 1.57 -0.23 -3.21 116.57 109.87 1ddb h LYS 158 Ca 0.23 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.50 1ddb h LYS 158 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1ddb h LYS 158 CO -0.56 0.76 -0.06 0.08 -0.57 0.00 0.00 179.45 179.10 1ddb s VAL 159 N -2.48 4.96 0.00 0.50 1.01 1.03 0.67 120.40 126.07 1ddb s VAL 159 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1ddb s VAL 159 Cb -0.02 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1ddb s VAL 159 CO 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 175.10 175.29 1ddb n ALA 160 N -1.09 0.00 1.01 5.51 0.00 0.67 -3.87 120.51 122.74 1ddb n ALA 160 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1ddb n ALA 160 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 1.51 0.89 0.00 0.00 2.88 -0.56 -4.65 113.62 113.69 1ddb n SER 161 Ca 0.00 -0.77 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1ddb n SER 161 Cb 0.00 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 -1.38 0.00 -3.78 0.66 -0.00 0.71 -4.90 115.22 106.54 1ddb n HIS 162 Ca 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.41 1ddb n HIS 162 Cb 0.34 0.00 -0.11 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 3.22 -0.48 -1.41 0.00 3.06 -4.83 121.76 120.32 1ddb s ALA 163 Ca 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 51.96 49.23 1ddb s ALA 163 Cb 0.00 -2.43 -0.15 0.00 0.00 0.00 0.00 23.12 20.54 1ddb s ALA 163 CO 0.00 -1.85 2.70 -0.35 0.00 0.00 0.00 175.76 176.26 1ddb n PRO 164 N 4.36 2.00 -0.01 0.00 -0.04 -1.26 0.24 135.00 140.30 1ddb n PRO 164 Ca -0.00 -1.15 -0.02 0.00 -0.04 0.00 0.00 63.50 62.29 1ddb n PRO 164 Cb 0.41 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1ddb n PRO 164 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ddb n SER 165 N 3.14 0.70 -2.99 3.54 7.64 -1.26 -4.78 113.62 119.60 1ddb n SER 165 Ca 0.43 0.11 -0.36 0.00 1.01 0.00 0.00 58.87 60.05 1ddb n SER 165 Cb 0.49 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 166 N -3.17 6.65 0.14 -3.43 7.99 -1.25 -4.79 117.00 119.14 1ddb n LEU 166 Ca -0.03 -5.12 -0.16 0.00 -0.01 0.00 0.00 56.01 50.69 1ddb n LEU 166 Cb 0.11 -0.92 -0.09 0.00 -0.11 0.00 0.00 43.42 42.41 1ddb n LEU 166 CO 0.04 1.98 0.54 0.17 -1.51 0.00 0.00 177.39 178.61 1ddb h LEU 167 N 3.18 -1.44 -0.20 2.23 -0.00 -1.87 3.96 115.31 121.18 1ddb h LEU 167 Ca 0.47 0.15 0.02 0.00 -0.00 0.00 0.00 57.88 58.52 1ddb h LEU 167 Cb 0.31 0.52 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 1ddb h LEU 167 CO 1.21 -0.56 0.06 0.08 -0.00 0.00 0.00 178.44 179.23 1ddb h ARG 168 N -0.77 0.15 -0.57 0.17 0.11 -1.87 -1.55 114.38 110.06 1ddb h ARG 168 Ca -0.01 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1ddb h ARG 168 Cb 0.76 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.78 1ddb h ARG 168 CO -0.24 0.10 0.23 0.22 0.10 0.00 0.00 179.97 180.39 1ddb h ASP 169 N 0.15 0.74 -0.07 0.08 3.58 -1.78 -2.75 116.42 116.37 1ddb h ASP 169 Ca 0.09 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1ddb h ASP 169 Cb 0.07 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 40.87 1ddb h ASP 169 CO -0.10 0.66 -0.45 0.58 -2.88 0.00 0.00 179.24 177.05 1ddb h VAL 170 N 0.81 0.12 -0.31 2.25 2.07 0.86 0.16 116.25 122.21 1ddb h VAL 170 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1ddb h VAL 170 Cb 0.14 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 29.95 1ddb h VAL 170 CO -0.02 0.00 -0.28 -0.26 0.02 0.00 0.00 177.57 177.03 1ddb h PHE 171 N -0.55 -0.74 -0.52 1.57 -1.00 -1.15 0.42 116.94 114.97 1ddb h PHE 171 Ca 0.05 0.05 0.15 0.00 2.81 0.00 0.00 57.97 61.03 1ddb h PHE 171 Cb 0.66 0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.57 1ddb h PHE 171 CO -0.48 -0.35 0.40 1.25 -1.61 0.00 0.00 178.31 177.52 1ddb h HIS 172 N -0.25 0.00 0.44 -0.55 2.76 -1.14 -1.49 115.15 114.92 1ddb h HIS 172 Ca 0.15 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1ddb h HIS 172 Cb 0.50 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1ddb h HIS 172 CO -0.45 0.00 -0.38 1.15 -1.30 0.00 0.00 177.93 176.95 1ddb h THR 173 N 0.00 0.23 0.21 6.26 2.02 0.28 1.65 112.91 123.55 1ddb h THR 173 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.42 1ddb h THR 173 Cb 1.04 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ddb h THR 173 CO -0.00 0.00 -0.27 0.71 0.37 0.00 0.00 175.52 176.32 1ddb h THR 174 N -0.82 0.00 0.00 3.16 1.35 -1.06 0.83 112.91 116.37 1ddb h THR 174 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1ddb h THR 174 Cb 0.72 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1ddb h THR 174 CO -0.03 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.76 1ddb n VAL 175 N -4.00 0.00 -0.01 6.82 0.31 -1.09 -3.05 118.33 117.31 1ddb n VAL 175 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 1ddb n VAL 175 Cb 0.24 -0.23 -0.06 0.00 -0.91 0.00 0.00 33.84 32.88 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 -0.08 0.16 4.52 7.08 0.50 -2.08 115.58 125.67 1ddb h ASN 176 Ca 0.00 -0.38 -0.01 0.00 -3.08 0.00 0.00 56.30 52.83 1ddb h ASN 176 Cb 0.00 0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 1ddb h ASN 176 CO 0.00 0.57 -0.08 -0.26 -2.08 0.00 0.00 177.43 175.58 1ddb h PHE 177 N -0.97 -0.20 -0.60 4.14 -1.00 -1.44 -0.28 116.94 116.58 1ddb h PHE 177 Ca -0.01 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.84 1ddb h PHE 177 Cb 0.46 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.02 1ddb h PHE 177 CO 0.10 -0.04 0.27 0.82 -1.61 0.00 0.00 178.31 177.85 1ddb h ILE 178 N -0.32 0.85 -1.01 -0.55 2.04 -1.72 3.92 117.51 120.73 1ddb h ILE 178 Ca -0.02 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1ddb h ILE 178 Cb 0.25 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 1ddb h ILE 178 CO 0.04 0.09 0.66 -1.13 0.00 0.00 0.00 178.15 177.81 1ddb h ASN 179 N 0.49 1.10 -0.09 1.72 -1.24 -1.13 0.38 115.58 116.81 1ddb h ASN 179 Ca 0.29 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.29 1ddb h ASN 179 Cb 0.29 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1ddb h ASN 179 CO -0.25 0.75 0.00 0.00 -1.29 0.00 0.00 177.43 176.64 1ddb n GLN 180 N -4.44 2.02 0.00 6.67 6.02 0.06 -4.70 117.38 123.00 1ddb n GLN 180 Ca 0.14 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 1ddb n GLN 180 Cb 0.10 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ddb n ASN 181 N 0.78 0.00 -2.25 1.08 5.15 1.28 -4.94 115.26 116.36 1ddb n ASN 181 Ca 0.17 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.87 1ddb n ASN 181 Cb 0.47 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.00 7.13 -0.37 1.20 7.99 -1.25 -4.95 117.00 126.75 1ddb n LEU 182 Ca 0.00 -3.97 0.00 0.00 -0.01 0.00 0.00 56.01 52.03 1ddb n LEU 182 Cb 0.00 -1.04 0.00 0.00 -0.11 0.00 0.00 43.42 42.27 1ddb n LEU 182 CO 0.00 1.44 -0.01 0.33 -1.51 0.00 0.00 177.39 177.64 1ddb n PHE 183 N -0.25 0.00 -0.33 -1.77 7.35 -0.94 -4.32 117.46 117.20 1ddb n PHE 183 Ca 0.49 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1ddb n PHE 183 Cb 0.58 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1ddb n PHE 183 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1ddb n SER 184 N 1.26 -0.44 -0.34 -2.13 7.64 -1.26 -4.91 113.62 113.44 1ddb n SER 184 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1ddb n SER 184 Cb 0.01 -0.22 0.21 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.04 -0.97 1.43 3.20 -1.93 0.10 116.97 119.84 1ddb h TYR 185 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1ddb h TYR 185 Cb 0.22 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 1ddb h TYR 185 CO 0.00 0.42 0.64 -0.24 -1.64 0.00 0.00 178.16 177.35 1ddb h VAL 186 N 0.93 1.22 -0.70 1.81 3.04 -1.94 -1.69 116.25 118.93 1ddb h VAL 186 Ca 0.46 -0.44 0.12 0.00 -1.01 0.00 0.00 66.70 65.83 1ddb h VAL 186 Cb 0.42 -0.18 -0.09 0.00 -2.01 0.00 0.00 31.29 29.43 1ddb h VAL 186 CO -0.25 0.24 0.27 -0.09 -1.01 0.00 0.00 177.57 176.72 1ddb h ARG 187 N 1.29 0.41 -0.59 4.17 1.12 -1.33 0.26 114.38 119.72 1ddb h ARG 187 Ca 0.37 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 59.16 1ddb h ARG 187 Cb -0.10 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.74 1ddb h ARG 187 CO -0.09 0.27 0.16 -0.91 -3.11 0.00 0.00 179.97 176.29 1ddb h ASN 188 N 0.42 0.87 0.23 -3.80 2.35 -1.13 0.23 115.58 114.76 1ddb h ASN 188 Ca 0.37 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1ddb h ASN 188 Cb 0.53 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1ddb h ASN 188 CO -0.37 0.87 -0.23 0.25 -1.65 0.00 0.00 177.43 176.29 1ddb h LEU 189 N 0.84 -0.61 -0.44 1.61 6.46 -0.19 0.30 115.31 123.28 1ddb h LEU 189 Ca 0.19 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 1ddb h LEU 189 Cb 0.32 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1ddb h LEU 189 CO -0.00 -0.34 0.26 -0.37 -0.62 0.00 0.00 178.44 177.37 1ddb h VAL 190 N -0.49 1.06 -0.48 1.05 -1.51 -0.44 0.11 116.25 115.55 1ddb h VAL 190 Ca -0.00 -0.18 0.08 0.00 -1.23 0.00 0.00 66.70 65.37 1ddb h VAL 190 Cb 0.46 0.48 -0.07 0.00 -2.13 0.00 0.00 31.29 30.03 1ddb h VAL 190 CO -0.05 0.10 0.08 -0.09 -1.23 0.00 0.00 177.57 176.38 1ddb h ARG 191 N 0.53 0.21 0.10 5.19 2.43 -0.05 -2.02 114.38 120.78 1ddb h ARG 191 Ca 0.17 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1ddb h ARG 191 Cb -0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ddb h ARG 191 CO -0.07 0.14 -0.05 -0.97 -1.51 0.00 0.00 179.97 177.51 1ddb h ASN 192 N 0.22 -0.11 -1.82 -3.80 -0.73 0.17 -3.44 115.58 106.06 1ddb h ASN 192 Ca 0.24 -0.10 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 1ddb h ASN 192 Cb 0.32 0.03 0.01 0.00 0.27 0.00 0.00 38.32 38.96 1ddb h ASN 192 CO -0.32 0.03 0.02 1.21 -0.37 0.00 0.00 177.43 177.99 1ddb n GLU 193 N -5.09 -0.78 -2.64 6.67 4.07 0.33 -5.02 120.64 118.17 1ddb n GLU 193 Ca -0.08 -0.14 -0.08 0.00 -0.06 0.00 0.00 57.16 56.79 1ddb n GLU 193 Cb 0.13 -0.12 0.04 0.00 -0.06 0.00 0.00 31.44 31.42 1ddb n GLU 193 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ddb n MET 194 N -1.56 1.93 0.00 5.31 0.00 -1.26 -4.78 117.12 116.77 1ddb n MET 194 Ca 0.01 -3.60 0.00 0.00 0.00 0.00 0.00 57.70 54.11 1ddb n MET 194 Cb 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 31.63 1ddb n MET 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50