#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb s ASP 2 N 0.00 -0.68 -0.15 6.12 -4.77 -1.26 -5.07 116.67 110.87 1ddb s ASP 2 Ca 0.00 1.20 -0.11 0.00 -3.30 0.00 0.00 52.55 50.34 1ddb s ASP 2 Cb 0.00 1.19 0.04 0.00 -1.09 0.00 0.00 42.92 43.06 1ddb s ASP 2 CO 0.00 -0.31 0.21 -0.24 0.70 0.00 0.00 175.17 175.54 1ddb n SER 3 N 2.36 -1.81 -4.53 2.11 2.88 -1.26 -4.62 113.62 108.75 1ddb n SER 3 Ca -0.15 1.44 -0.34 0.00 -1.33 0.00 0.00 58.87 58.50 1ddb n SER 3 Cb 0.56 -5.26 -0.09 0.00 -0.75 0.00 0.00 64.21 58.67 1ddb n SER 3 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ddb n GLU 4 N 1.76 0.59 0.21 -1.46 1.02 -1.26 -4.78 120.64 116.73 1ddb n GLU 4 Ca -0.36 -0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 56.51 1ddb n GLU 4 Cb 0.56 -2.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.18 1ddb n GLU 4 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1ddb h VAL 5 N 7.74 0.65 -6.44 2.62 3.04 -2.04 -3.47 116.25 118.35 1ddb h VAL 5 Ca -0.13 -0.12 -0.27 0.00 -1.01 0.00 0.00 66.70 65.17 1ddb h VAL 5 Cb 1.24 0.71 0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1ddb h VAL 5 CO 1.24 0.02 -1.13 -1.20 -1.01 0.00 0.00 177.57 175.49 1ddb n SER 6 N -5.28 -5.90 0.00 3.17 7.64 -1.26 -4.95 113.62 107.05 1ddb n SER 6 Ca -0.11 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ddb n SER 6 Cb 0.23 -1.83 0.00 0.00 -1.01 0.00 0.00 64.21 61.60 1ddb n SER 6 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ddb n ASN 7 N 0.19 0.00 0.00 6.43 0.23 -1.26 -5.03 115.26 115.82 1ddb n ASN 7 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1ddb n ASN 7 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 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 -0.05 0.35 1.02 4.83 0.00 -1.26 -5.07 105.19 105.01 1ddb n GLY 8 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.72 0.89 -4.51 1.61 7.64 -1.26 -5.09 113.62 112.18 1ddb n SER 9 Ca 0.00 0.11 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 1ddb n SER 9 Cb 0.00 -0.27 0.07 0.00 -1.01 0.00 0.00 64.21 63.00 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 3.46 1.67 3.55 0.23 0.00 -1.26 -5.00 105.19 107.84 1ddb n GLY 10 Ca -0.00 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 4.17 0.00 0.99 1.43 -1.26 -3.50 118.68 120.51 1ddb s LEU 11 Ca 0.55 -2.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.10 1ddb s LEU 11 Cb -0.04 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1ddb s LEU 11 CO 0.35 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.47 1ddb n GLY 12 N 5.12 0.99 3.48 -3.19 0.00 -1.26 -5.08 105.19 105.26 1ddb n GLY 12 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.37 3.09 0.00 4.61 0.00 -1.23 -3.82 121.76 124.04 1ddb s ALA 13 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.86 1ddb s ALA 13 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1ddb s ALA 13 CO 0.00 -3.01 0.00 0.36 0.00 0.00 0.00 175.76 173.11 1ddb n LYS 14 N 7.74 0.00 -0.03 0.00 2.85 -1.26 -4.65 118.16 122.80 1ddb n LYS 14 Ca 0.10 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.27 1ddb n LYS 14 Cb 0.48 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.83 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 -0.21 -0.78 5.58 2.07 -2.00 -0.34 115.15 119.48 1ddb h HIS 15 Ca 0.00 0.02 0.05 0.00 -2.85 0.00 0.00 60.37 57.59 1ddb h HIS 15 Cb 0.00 0.12 -0.06 0.00 2.57 0.00 0.00 27.41 30.04 1ddb h HIS 15 CO 0.00 -0.14 0.47 0.82 -3.07 0.00 0.00 177.93 176.02 1ddb h ILE 16 N -0.07 1.04 0.28 6.12 1.08 -1.93 -2.24 117.51 121.79 1ddb h ILE 16 Ca 0.10 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1ddb h ILE 16 Cb 0.22 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 1ddb h ILE 16 CO -0.23 0.16 -0.44 0.74 -0.69 0.00 0.00 178.15 177.69 1ddb h THR 17 N 0.88 0.12 -1.07 -0.27 2.02 -1.43 -0.30 112.91 112.86 1ddb h THR 17 Ca 0.33 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.81 1ddb h THR 17 Cb 0.13 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 66.56 1ddb h THR 17 CO -0.16 0.00 0.68 -0.78 0.37 0.00 0.00 175.52 175.63 1ddb h ASP 18 N -0.79 0.44 -0.13 4.18 3.58 -0.72 1.90 116.42 124.88 1ddb h ASP 18 Ca -0.01 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1ddb h ASP 18 Cb 0.75 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1ddb h ASP 18 CO -0.16 0.04 0.02 -0.07 -2.88 0.00 0.00 179.24 176.19 1ddb h LEU 19 N 0.36 0.28 -0.76 2.28 -0.00 -0.49 -1.33 115.31 115.65 1ddb h LEU 19 Ca 0.64 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 58.44 1ddb h LEU 19 Cb 1.64 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 42.20 1ddb h LEU 19 CO -0.34 0.32 0.28 0.25 -0.00 0.00 0.00 178.44 178.94 1ddb h LEU 20 N 0.31 1.06 0.47 1.67 7.12 0.37 2.02 115.31 128.34 1ddb h LEU 20 Ca 0.07 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 1ddb h LEU 20 Cb 0.17 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1ddb h LEU 20 CO 0.00 0.96 -0.23 1.62 -0.13 0.00 0.00 178.44 180.66 1ddb h VAL 21 N 1.11 0.00 -0.05 1.05 3.04 -0.89 1.14 116.25 121.65 1ddb h VAL 21 Ca 0.25 -0.05 -0.03 0.00 -1.01 0.00 0.00 66.70 65.86 1ddb h VAL 21 Cb 0.24 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1ddb h VAL 21 CO -0.02 0.00 -0.12 0.15 -1.01 0.00 0.00 177.57 176.57 1ddb h PHE 22 N -0.69 0.07 -0.23 3.17 3.04 -1.39 -2.37 116.94 118.55 1ddb h PHE 22 Ca -0.07 -0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.68 1ddb h PHE 22 Cb 0.49 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 38.98 1ddb h PHE 22 CO 0.10 0.19 -0.64 0.78 -2.02 0.00 0.00 178.31 176.72 1ddb h GLY 23 N 0.50 0.92 0.52 2.40 0.00 0.34 -2.60 103.07 105.14 1ddb h GLY 23 Ca 0.01 -1.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.17 1ddb h GLY 23 CO 0.02 1.05 -0.43 -2.75 0.00 0.00 0.00 176.54 174.42 1ddb h PHE 24 N 0.60 -1.19 -0.74 5.60 3.04 0.19 0.17 116.94 124.62 1ddb h PHE 24 Ca -0.02 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.03 1ddb h PHE 24 Cb 1.26 0.47 -0.07 0.00 2.56 0.00 0.00 35.95 40.17 1ddb h PHE 24 CO 0.08 -0.58 0.39 1.25 -2.02 0.00 0.00 178.31 177.43 1ddb h LEU 25 N -0.84 0.54 -1.83 0.59 5.85 -1.59 0.19 115.31 118.21 1ddb h LEU 25 Ca -0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1ddb h LEU 25 Cb 0.76 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1ddb h LEU 25 CO -0.10 0.31 0.18 -0.61 -0.34 0.00 0.00 178.44 177.89 1ddb h GLN 26 N 0.67 0.22 -0.11 1.25 -0.00 -0.99 2.79 115.11 118.94 1ddb h GLN 26 Ca 0.35 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 59.01 1ddb h GLN 26 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 1ddb h GLN 26 CO -0.25 0.14 -0.22 1.03 0.00 0.00 0.00 178.83 179.54 1ddb h SER 27 N 0.22 -0.71 0.00 -0.69 0.87 0.24 -3.35 113.55 110.13 1ddb h SER 27 Ca 0.11 0.09 -0.35 0.00 -1.23 0.00 0.00 61.79 60.41 1ddb h SER 27 Cb 0.17 0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1ddb h SER 27 CO -0.02 -0.17 -2.26 -0.24 -0.53 0.00 0.00 176.83 173.61 1ddb n SER 28 N -3.73 2.05 -0.40 6.23 2.88 -1.10 -4.93 113.62 114.61 1ddb n SER 28 Ca -0.02 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ddb n SER 28 Cb 0.14 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 2.11 -0.31 0.33 0.46 0.00 0.93 -5.03 105.19 103.69 1ddb n GLY 29 Ca -0.41 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.25 -0.20 0.21 0.00 2.01 -1.26 -5.02 115.64 107.12 1ddb s THR 31 Ca -0.12 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 1ddb s THR 31 Cb 0.01 -0.30 0.20 0.00 0.01 0.00 0.00 72.50 72.42 1ddb s THR 31 CO 0.35 0.12 1.59 -0.09 -0.69 0.00 0.00 174.62 175.90 1ddb h ARG 32 N 7.93 -0.09 0.00 4.92 2.43 -1.99 1.32 114.38 128.90 1ddb h ARG 32 Ca -0.24 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 1ddb h ARG 32 Cb 1.13 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1ddb h ARG 32 CO 0.24 -0.06 -0.13 0.37 -1.51 0.00 0.00 179.97 178.88 1ddb h GLN 33 N -0.09 0.00 0.39 0.20 4.15 -1.99 -2.38 115.11 115.39 1ddb h GLN 33 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 1ddb h GLN 33 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1ddb h GLN 33 CO -0.73 0.13 -0.19 1.49 -1.93 0.00 0.00 178.83 177.60 1ddb h GLU 34 N 0.00 -0.50 -1.09 1.69 4.81 0.12 0.30 114.58 119.91 1ddb h GLU 34 Ca -0.00 0.03 0.30 0.00 -0.13 0.00 0.00 59.36 59.57 1ddb h GLU 34 Cb 0.30 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 29.69 1ddb h GLU 34 CO 0.02 -0.33 0.70 1.25 -0.73 0.00 0.00 179.01 179.91 1ddb h LEU 35 N -0.81 0.42 0.25 1.64 5.85 -0.64 3.94 115.31 125.96 1ddb h LEU 35 Ca -0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1ddb h LEU 35 Cb 0.40 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ddb h LEU 35 CO 0.09 0.02 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.01 1ddb h GLU 36 N 0.33 -0.32 0.17 1.25 4.81 -1.38 1.88 114.58 121.33 1ddb h GLU 36 Ca 0.65 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1ddb h GLU 36 Cb 1.72 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1ddb h GLU 36 CO -0.35 0.05 -0.08 -0.24 -0.73 0.00 0.00 179.01 177.66 1ddb h VAL 37 N -0.85 0.95 -0.19 0.32 3.04 0.19 1.37 116.25 121.07 1ddb h VAL 37 Ca -0.03 -0.63 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 1ddb h VAL 37 Cb 0.51 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1ddb h VAL 37 CO 0.06 0.14 0.01 -0.07 -1.01 0.00 0.00 177.57 176.70 1ddb h LEU 38 N -0.54 0.32 0.28 3.16 -0.00 0.73 -3.21 115.31 116.06 1ddb h LEU 38 Ca -0.02 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 57.55 1ddb h LEU 38 Cb 0.41 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1ddb h LEU 38 CO 0.04 0.53 -0.13 1.23 -0.00 0.00 0.00 178.44 180.11 1ddb h GLY 39 N 0.10 -0.39 -7.24 0.83 0.00 0.30 -3.41 103.07 93.25 1ddb h GLY 39 Ca 0.06 0.15 -0.54 0.00 0.00 0.00 0.00 47.33 46.99 1ddb h GLY 39 CO 0.01 -0.14 1.57 -2.13 0.00 0.00 0.00 176.54 175.84 1ddb n ARG 40 N -5.20 1.17 -3.79 4.80 0.63 0.47 -4.77 116.66 109.98 1ddb n ARG 40 Ca -0.10 0.20 -0.14 0.00 -0.92 0.00 0.00 57.85 56.89 1ddb n ARG 40 Cb 0.21 -2.97 -0.14 0.00 0.45 0.00 0.00 32.46 30.00 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1ddb s GLU 41 N 7.42 0.06 -0.44 -0.14 0.41 -1.26 -4.83 118.70 119.92 1ddb s GLU 41 Ca 1.05 0.23 -0.14 0.00 -0.41 0.00 0.00 54.97 55.71 1ddb s GLU 41 Cb -0.48 -0.12 0.06 0.00 -1.78 0.00 0.00 34.13 31.80 1ddb s GLU 41 CO 0.36 -0.12 0.34 -0.51 -0.49 0.00 0.00 175.26 174.84 1ddb s LEU 42 N 0.77 5.37 0.00 1.80 2.01 -1.26 -5.07 118.68 122.30 1ddb s LEU 42 Ca -0.06 -1.26 -0.19 0.00 0.01 0.00 0.00 54.13 52.63 1ddb s LEU 42 Cb -0.08 -2.13 0.27 0.00 0.01 0.00 0.00 46.19 44.26 1ddb s LEU 42 CO -0.03 -0.57 1.23 -0.81 1.01 0.00 0.00 176.35 177.18 1ddb n PRO 43 N 5.12 -2.24 -0.34 1.29 -0.04 -1.26 -4.92 135.00 132.62 1ddb n PRO 43 Ca -0.12 -1.93 -0.01 0.00 -0.04 0.00 0.00 63.50 61.39 1ddb n PRO 43 Cb 0.44 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1ddb n PRO 43 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ddb h VAL 44 N -2.26 0.04 0.00 0.52 2.07 -2.04 -3.44 116.25 111.14 1ddb h VAL 44 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ddb h VAL 44 Cb 1.24 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1ddb h VAL 44 CO 0.29 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.55 1ddb n GLN 45 N -5.47 0.00 -3.29 1.57 7.27 -1.26 -5.07 117.38 111.12 1ddb n GLN 45 Ca 0.09 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.80 1ddb n GLN 45 Cb 0.40 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.01 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb n ALA 46 N 0.00 4.49 -0.94 1.69 0.00 -1.26 -5.02 120.51 119.47 1ddb n ALA 46 Ca 0.00 -4.75 -0.35 0.00 0.00 0.00 0.00 53.44 48.34 1ddb n ALA 46 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 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 1.43 0.60 0.00 0.00 9.36 -1.26 -4.75 117.16 122.53 1ddb n TYR 47 Ca 0.26 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.88 1ddb n TYR 47 Cb 0.37 -1.61 0.00 0.00 -0.63 0.00 0.00 39.34 37.47 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 6.18 0.00 -3.71 2.98 8.01 -1.26 -5.18 117.44 124.46 1ddb n TRP 48 Ca 0.42 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.47 1ddb n TRP 48 Cb -0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.21 1ddb n TRP 48 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1ddb s GLU 49 N -1.49 0.61 0.00 -0.99 -6.30 -1.26 -5.16 118.70 104.11 1ddb s GLU 49 Ca 0.00 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.96 1ddb s GLU 49 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 34.13 34.42 1ddb s GLU 49 CO 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 175.26 175.18 1ddb n ALA 50 N 2.43 0.00 -3.54 6.30 0.00 -1.26 -5.16 120.51 119.29 1ddb n ALA 50 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ddb n ALA 50 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ddb s ASP 51 N -0.01 -0.44 0.25 0.00 1.11 -1.26 -5.14 116.67 111.18 1ddb s ASP 51 Ca 0.00 0.66 -0.16 0.00 0.18 0.00 0.00 52.55 53.23 1ddb s ASP 51 Cb 0.00 1.32 -0.11 0.00 1.07 0.00 0.00 42.92 45.20 1ddb s ASP 51 CO 0.00 -0.10 0.14 0.00 1.18 0.00 0.00 175.17 176.39 1ddb n LEU 52 N 4.08 -1.73 -3.81 1.23 -0.00 -1.26 -4.96 117.00 110.55 1ddb n LEU 52 Ca -0.15 0.64 -0.10 0.00 -0.00 0.00 0.00 56.01 56.40 1ddb n LEU 52 Cb 0.56 -0.64 -0.07 0.00 -0.00 0.00 0.00 43.42 43.26 1ddb n LEU 52 CO 0.00 -2.75 -0.05 -1.83 -0.00 0.00 0.00 177.39 172.77 1ddb s GLU 53 N -0.71 0.81 0.00 1.47 -1.05 -1.26 -5.16 118.70 112.80 1ddb s GLU 53 Ca 0.43 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1ddb s GLU 53 Cb -0.51 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.52 1ddb s GLU 53 CO 0.43 -0.26 0.00 -0.25 0.95 0.00 0.00 175.26 176.13 1ddb n ASP 54 N 0.28 0.00 0.00 0.83 8.00 -1.26 -5.09 116.55 119.31 1ddb n ASP 54 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1ddb n ASP 54 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1ddb n ASP 54 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1ddb n GLU 55 N -0.90 0.00 -0.53 -1.24 0.28 -1.26 -5.17 120.64 111.82 1ddb n GLU 55 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1ddb n GLU 55 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1ddb n LEU 56 N -2.23 -0.45 -3.63 -1.84 7.94 -1.26 -5.06 117.00 110.47 1ddb n LEU 56 Ca 0.00 0.92 -0.14 0.00 -1.11 0.00 0.00 56.01 55.68 1ddb n LEU 56 Cb 0.00 -0.86 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 1ddb n LEU 56 CO 0.00 -0.59 0.43 -1.58 -1.11 0.00 0.00 177.39 174.54 1ddb s GLN 57 N -3.84 0.83 0.11 1.96 0.74 -1.26 -5.18 119.66 113.02 1ddb s GLN 57 Ca 0.00 0.99 -0.16 0.00 0.05 0.00 0.00 55.36 56.23 1ddb s GLN 57 Cb 0.00 0.41 0.04 0.00 1.10 0.00 0.00 33.01 34.55 1ddb s GLN 57 CO 0.00 -0.10 0.40 -0.08 -0.55 0.00 0.00 175.29 174.96 1ddb s THR 58 N 0.37 0.07 0.28 -0.34 -1.32 -1.26 -5.18 115.64 108.26 1ddb s THR 58 Ca 0.00 -0.55 -0.17 0.00 -1.21 0.00 0.00 61.69 59.76 1ddb s THR 58 Cb -0.05 -1.12 0.01 0.00 -1.51 0.00 0.00 72.50 69.84 1ddb s THR 58 CO 0.01 -0.30 0.64 -0.62 -2.21 0.00 0.00 174.62 172.13 1ddb s ASP 59 N -2.62 -0.13 0.00 8.08 -1.08 -1.26 -5.19 116.67 114.48 1ddb s ASP 59 Ca 0.01 -0.81 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 1ddb s ASP 59 Cb 0.01 0.69 0.00 0.00 -1.46 0.00 0.00 42.92 42.17 1ddb s ASP 59 CO -0.10 -1.31 0.00 0.61 0.52 0.00 0.00 175.17 174.89 1ddb n GLY 60 N -0.45 5.66 0.00 2.66 0.00 -1.26 -5.18 105.19 106.62 1ddb n GLY 60 Ca -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1ddb n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 61 N 0.00 0.00 -1.41 1.61 7.64 -1.26 -5.16 113.62 115.04 1ddb n SER 61 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.05 1ddb n SER 61 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1ddb n SER 61 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ddb n GLN 62 N -0.11 -3.05 -3.69 1.43 7.27 -1.26 -5.06 117.38 112.90 1ddb n GLN 62 Ca 0.00 2.37 -0.02 0.00 0.07 0.00 0.00 57.00 59.42 1ddb n GLN 62 Cb 0.00 -3.65 -0.01 0.00 2.41 0.00 0.00 30.24 28.99 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ddb s ALA 63 N -3.72 -1.85 0.39 1.69 0.00 -1.26 -5.09 121.76 111.91 1ddb s ALA 63 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1ddb s ALA 63 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1ddb s ALA 63 CO 0.00 -1.01 0.00 0.45 0.00 0.00 0.00 175.76 175.20 1ddb n SER 64 N -0.45 -3.25 -4.41 0.00 2.88 -1.26 -5.15 113.62 101.98 1ddb n SER 64 Ca -0.07 0.74 -0.21 0.00 -1.33 0.00 0.00 58.87 58.01 1ddb n SER 64 Cb 0.61 3.10 -0.10 0.00 -0.75 0.00 0.00 64.21 67.07 1ddb n SER 64 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ddb s ARG 65 N -2.00 1.63 0.49 -1.46 0.52 -1.26 -5.09 118.95 111.79 1ddb s ARG 65 Ca 0.00 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.30 1ddb s ARG 65 Cb 0.00 -0.75 0.00 0.00 0.52 0.00 0.00 34.95 34.72 1ddb s ARG 65 CO 0.00 -0.23 0.00 0.43 0.02 0.00 0.00 175.30 175.52 1ddb n SER 66 N -0.69 -7.04 -4.98 0.23 7.64 -1.26 -4.97 113.62 102.55 1ddb n SER 66 Ca -0.02 1.55 -0.21 0.00 1.01 0.00 0.00 58.87 61.21 1ddb n SER 66 Cb 0.66 -4.05 0.02 0.00 -1.01 0.00 0.00 64.21 59.83 1ddb n SER 66 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1ddb s PHE 67 N -5.15 3.00 0.31 1.43 -0.12 -1.26 -5.13 117.98 111.07 1ddb s PHE 67 Ca 0.00 -0.03 0.06 0.00 -0.05 0.00 0.00 56.93 56.91 1ddb s PHE 67 Cb 0.00 -2.45 -0.06 0.00 -0.63 0.00 0.00 43.02 39.88 1ddb s PHE 67 CO 0.00 -0.52 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.85 1ddb s ASN 68 N -4.31 2.79 0.46 1.98 -0.87 -1.26 -5.06 114.94 108.67 1ddb s ASN 68 Ca 0.52 -1.28 0.00 0.00 -1.57 0.00 0.00 52.86 50.53 1ddb s ASN 68 Cb -0.10 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 1ddb s ASN 68 CO 0.36 -0.45 0.00 0.00 -2.57 0.00 0.00 177.10 174.45 1ddb n GLN 69 N -0.67 -4.78 0.00 -0.60 3.00 -1.26 -5.07 117.38 107.99 1ddb n GLN 69 Ca -0.04 3.51 0.00 0.00 -0.01 0.00 0.00 57.00 60.46 1ddb n GLN 69 Cb 0.65 -3.92 0.00 0.00 0.00 0.00 0.00 30.24 26.97 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ddb n GLY 70 N -0.29 -0.56 3.27 1.08 0.00 -1.26 -5.18 105.19 102.24 1ddb n GLY 70 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1ddb n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ddb s ARG 71 N 0.00 0.56 -0.07 1.61 1.70 -1.26 -5.17 118.95 116.32 1ddb s ARG 71 Ca 0.00 0.21 -0.24 0.00 -0.47 0.00 0.00 55.73 55.23 1ddb s ARG 71 Cb 0.00 0.26 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1ddb s ARG 71 CO 0.00 -0.12 0.56 0.96 -1.08 0.00 0.00 175.30 175.62 1ddb s ILE 72 N -0.50 0.02 -0.23 4.99 -5.25 -1.26 -5.15 121.20 113.82 1ddb s ILE 72 Ca -0.06 -0.13 -0.06 0.00 -0.99 0.00 0.00 60.65 59.40 1ddb s ILE 72 Cb -0.04 -0.85 -0.02 0.00 2.95 0.00 0.00 42.46 44.50 1ddb s ILE 72 CO 0.02 -0.07 0.04 -1.61 -1.79 0.00 0.00 174.94 171.53 1ddb s GLU 73 N -0.93 3.60 -0.04 0.37 2.02 -1.26 -5.01 118.70 117.46 1ddb s GLU 73 Ca -0.10 -0.51 -0.07 0.00 0.02 0.00 0.00 54.97 54.32 1ddb s GLU 73 Cb -0.02 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1ddb s GLU 73 CO 0.07 -0.14 0.35 -1.00 0.02 0.00 0.00 175.26 174.55 1ddb h PRO 74 N 8.03 -0.23 -0.32 0.39 0.13 -2.09 -3.48 132.00 134.44 1ddb h PRO 74 Ca -0.38 0.02 0.25 0.00 -0.87 0.00 0.00 66.00 65.01 1ddb h PRO 74 Cb 1.17 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 1ddb h PRO 74 CO 0.59 -0.15 0.65 0.16 -0.23 0.00 0.00 178.00 179.02 1ddb s ASP 75 N -4.39 -0.00 -0.30 1.44 -4.77 -1.26 -5.14 116.67 102.25 1ddb s ASP 75 Ca -0.03 0.00 0.06 0.00 -3.30 0.00 0.00 52.55 49.27 1ddb s ASP 75 Cb 0.00 1.00 0.20 0.00 -1.09 0.00 0.00 42.92 43.03 1ddb s ASP 75 CO 0.10 -0.00 0.61 -0.44 0.70 0.00 0.00 175.17 176.14 1ddb s SER 76 N 1.68 -1.58 -0.32 2.11 0.01 -1.26 -5.12 113.70 109.20 1ddb s SER 76 Ca -0.02 0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.27 1ddb s SER 76 Cb -0.01 2.00 0.03 0.00 0.21 0.00 0.00 66.02 68.26 1ddb s SER 76 CO -0.14 -0.28 0.09 -0.70 0.41 0.00 0.00 173.24 172.62 1ddb s GLU 77 N 2.74 2.72 -0.25 12.44 2.12 -1.26 -5.05 118.70 132.16 1ddb s GLU 77 Ca 0.11 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.31 1ddb s GLU 77 Cb -0.09 -3.41 0.08 0.00 0.26 0.00 0.00 34.13 30.97 1ddb s GLU 77 CO -0.24 -0.61 0.08 -1.54 -0.54 0.00 0.00 175.26 172.42 1ddb s SER 78 N 1.41 3.36 0.42 -1.70 1.04 -1.26 -5.13 113.70 111.84 1ddb s SER 78 Ca -0.01 -1.17 -0.17 0.00 0.48 0.00 0.00 55.95 55.08 1ddb s SER 78 Cb -0.19 -0.59 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 1ddb s SER 78 CO 0.02 -0.37 0.88 -1.58 0.98 0.00 0.00 173.24 173.17 1ddb s GLN 79 N 1.86 4.05 -0.60 4.02 -0.44 -1.26 -4.93 119.66 122.36 1ddb s GLN 79 Ca 0.05 0.89 -0.07 0.00 -2.50 0.00 0.00 55.36 53.72 1ddb s GLN 79 Cb -0.17 -2.26 -0.20 0.00 -1.64 0.00 0.00 33.01 28.74 1ddb s GLN 79 CO -0.20 -0.04 3.37 -0.85 0.50 0.00 0.00 175.29 178.06 1ddb n GLU 80 N -0.89 2.62 0.00 1.67 0.28 -1.26 -4.71 120.64 118.35 1ddb n GLU 80 Ca 0.05 -1.44 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 1ddb n GLU 80 Cb 0.54 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.11 1ddb n GLU 80 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ddb n GLU 81 N 2.91 0.00 -0.05 3.44 2.13 -1.26 -5.04 120.64 122.76 1ddb n GLU 81 Ca 0.56 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 58.22 1ddb n GLU 81 Cb 0.66 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.23 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ddb n ILE 82 N -0.22 1.62 -0.07 6.31 5.41 -1.26 -3.58 119.36 127.56 1ddb n ILE 82 Ca 0.00 -0.69 -0.07 0.00 1.00 0.00 0.00 62.75 62.99 1ddb n ILE 82 Cb 0.00 -1.33 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ddb h ILE 83 N 0.03 0.66 -0.57 1.39 2.04 -1.99 0.18 117.51 119.25 1ddb h ILE 83 Ca -0.46 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1ddb h ILE 83 Cb 2.03 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1ddb h ILE 83 CO 0.03 0.00 0.33 0.45 0.00 0.00 0.00 178.15 178.96 1ddb h HIS 84 N -0.04 0.77 -0.42 1.37 3.86 -1.95 -0.86 115.15 117.88 1ddb h HIS 84 Ca 0.14 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1ddb h HIS 84 Cb 0.25 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 1ddb h HIS 84 CO -0.30 0.54 0.00 -0.91 0.86 0.00 0.00 177.93 178.13 1ddb h ASN 85 N 0.77 -0.17 0.01 2.45 2.35 -1.27 0.29 115.58 120.01 1ddb h ASN 85 Ca 0.20 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1ddb h ASN 85 Cb 0.02 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1ddb h ASN 85 CO -0.04 -0.05 -0.06 -0.29 -1.65 0.00 0.00 177.43 175.35 1ddb h ILE 86 N 0.11 1.11 0.34 2.81 6.09 -0.22 -1.05 117.51 126.69 1ddb h ILE 86 Ca 0.21 -0.45 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1ddb h ILE 86 Cb 0.30 1.10 -0.03 0.00 0.47 0.00 0.00 36.82 38.66 1ddb h ILE 86 CO -0.34 0.14 -0.42 0.00 -3.07 0.00 0.00 178.15 174.46 1ddb h ALA 87 N 1.81 -0.87 -0.76 0.18 0.00 0.99 -1.77 119.26 118.84 1ddb h ALA 87 Ca 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ddb h ALA 87 Cb 0.20 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1ddb h ALA 87 CO 0.01 -1.04 0.30 0.07 0.00 0.00 0.00 179.25 178.60 1ddb h ARG 88 N -0.80 1.12 -0.58 0.00 0.11 -1.06 -1.46 114.38 111.71 1ddb h ARG 88 Ca -0.02 -0.20 0.17 0.00 0.10 0.00 0.00 59.98 60.03 1ddb h ARG 88 Cb 0.73 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1ddb h ARG 88 CO -0.11 0.91 0.58 1.25 0.10 0.00 0.00 179.97 182.70 1ddb h HIS 89 N 1.10 0.00 0.10 4.08 2.76 -0.58 -1.57 115.15 121.03 1ddb h HIS 89 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1ddb h HIS 89 Cb 0.20 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1ddb h HIS 89 CO 0.02 0.00 -0.20 1.25 -1.30 0.00 0.00 177.93 177.70 1ddb h LEU 90 N 0.00 -0.58 -0.70 0.26 5.85 -0.41 0.12 115.31 119.85 1ddb h LEU 90 Ca 0.28 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.19 1ddb h LEU 90 Cb 1.43 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.57 1ddb h LEU 90 CO -0.00 -0.23 0.21 0.00 -0.34 0.00 0.00 178.44 178.08 1ddb h ALA 91 N -1.26 0.92 -0.95 1.25 0.00 -1.45 0.46 119.26 118.24 1ddb h ALA 91 Ca -0.01 0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1ddb h ALA 91 Cb 0.30 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1ddb h ALA 91 CO -0.08 -0.28 0.62 -0.56 0.00 0.00 0.00 179.25 178.95 1ddb h GLN 92 N 0.33 0.40 -0.01 0.00 -0.00 -1.10 0.99 115.11 115.73 1ddb h GLN 92 Ca 0.39 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.90 1ddb h GLN 92 Cb 0.61 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 27.98 1ddb h GLN 92 CO -0.44 0.27 -0.50 -0.84 -0.00 0.00 0.00 178.83 177.32 1ddb h ILE 93 N 0.42 1.36 0.02 1.86 -0.00 0.26 -2.55 117.51 118.88 1ddb h ILE 93 Ca 0.51 -1.73 0.01 0.00 -0.00 0.00 0.00 64.86 63.65 1ddb h ILE 93 Cb 1.26 1.92 -0.02 0.00 -0.00 0.00 0.00 36.82 39.98 1ddb h ILE 93 CO -0.21 0.50 -0.09 1.23 -0.00 0.00 0.00 178.15 179.57 1ddb h GLY 94 N 1.49 -0.13 0.84 0.16 0.00 0.16 3.34 103.07 108.94 1ddb h GLY 94 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1ddb h GLY 94 CO 0.07 -0.10 -0.06 -1.80 0.00 0.00 0.00 176.54 174.65 1ddb h ASP 95 N -0.17 -0.14 -0.61 0.19 1.82 -1.43 -1.55 116.42 114.53 1ddb h ASP 95 Ca 0.03 -0.13 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1ddb h ASP 95 Cb 0.21 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 1ddb h ASP 95 CO -0.08 0.05 0.27 -0.33 -1.61 0.00 0.00 179.24 177.54 1ddb h GLU 96 N -0.33 0.89 -0.07 0.28 5.08 -1.26 -3.03 114.58 116.15 1ddb h GLU 96 Ca -0.02 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ddb h GLU 96 Cb 0.26 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1ddb h GLU 96 CO 0.03 0.73 -0.33 0.52 -1.00 0.00 0.00 179.01 178.96 1ddb h MET 97 N 0.84 -0.43 -1.80 2.33 2.86 0.64 0.13 114.93 119.50 1ddb h MET 97 Ca 0.21 0.03 0.53 0.00 -2.06 0.00 0.00 59.70 58.41 1ddb h MET 97 Cb 0.15 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 1ddb h MET 97 CO -0.02 -0.29 1.28 -3.47 1.06 0.00 0.00 176.91 175.47 1ddb n ASP 98 N -5.42 0.02 0.05 1.22 -0.08 -0.60 0.19 116.55 111.94 1ddb n ASP 98 Ca -0.04 0.97 -0.11 0.00 -1.51 0.00 0.00 54.79 54.10 1ddb n ASP 98 Cb 0.33 -0.48 -0.04 0.00 2.34 0.00 0.00 41.12 43.27 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1ddb h HIS 99 N 0.00 -0.52 -1.80 -0.67 2.76 -0.80 -3.38 115.15 110.73 1ddb h HIS 99 Ca 0.88 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 58.73 1ddb h HIS 99 Cb 3.45 0.23 -0.29 0.00 1.55 0.00 0.00 27.41 32.35 1ddb h HIS 99 CO -0.00 -0.28 -0.67 0.54 -1.30 0.00 0.00 177.93 176.22 1ddb s ASN 100 N -4.96 0.69 -0.37 3.26 4.22 0.51 -5.07 114.94 113.22 1ddb s ASN 100 Ca -0.15 -1.62 0.00 0.00 -2.14 0.00 0.00 52.86 48.95 1ddb s ASN 100 Cb 0.09 0.74 0.13 0.00 1.28 0.00 0.00 41.25 43.49 1ddb s ASN 100 CO 0.66 -0.23 0.20 -0.63 -2.04 0.00 0.00 177.10 175.07 1ddb s ILE 101 N 1.32 0.72 0.00 0.54 -1.09 -0.94 -4.87 121.20 116.88 1ddb s ILE 101 Ca 0.19 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.71 1ddb s ILE 101 Cb -0.12 -1.52 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1ddb s ILE 101 CO -0.04 -0.88 0.00 0.00 -1.23 0.00 0.00 174.94 172.79 1ddb n GLN 102 N 4.08 0.00 -0.17 2.79 -0.00 -1.26 -4.48 117.38 118.34 1ddb n GLN 102 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 1ddb n GLN 102 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.61 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1ddb n PRO 103 N 0.00 0.75 0.00 2.61 -0.04 -1.26 -3.40 135.00 133.66 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 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.07 0.00 0.00 0.52 -1.04 -1.26 -4.88 114.28 108.69 1ddb n THR 104 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ddb n THR 104 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1ddb n THR 104 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ddb n LEU 105 N 0.00 0.00 0.00 -4.42 7.94 -1.22 -5.04 117.00 114.27 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ddb n LEU 105 CO 0.00 0.00 0.22 0.52 -1.11 0.00 0.00 177.39 177.02 1ddb n VAL 106 N -0.16 0.00 0.32 1.96 0.31 -1.26 -1.55 118.33 117.96 1ddb n VAL 106 Ca 0.00 0.90 0.14 0.00 -0.01 0.00 0.00 64.34 65.36 1ddb n VAL 106 Cb 0.00 -1.82 0.74 0.00 -0.91 0.00 0.00 33.84 31.86 1ddb n VAL 106 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1ddb h ARG 107 N 0.00 0.00 -0.51 5.55 0.11 -1.93 0.33 114.38 117.93 1ddb h ARG 107 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1ddb h ARG 107 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1ddb h ARG 107 CO 0.00 0.00 -0.01 0.37 0.10 0.00 0.00 179.97 180.43 1ddb h GLN 108 N 0.00 0.91 0.86 0.08 5.75 -1.83 -0.38 115.11 120.49 1ddb h GLN 108 Ca 0.00 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.16 1ddb h GLN 108 Cb 0.73 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 29.21 1ddb h GLN 108 CO 0.00 0.94 -0.41 1.37 -2.65 0.00 0.00 178.83 178.08 1ddb h LEU 109 N 0.77 -0.98 -0.37 -2.39 8.10 0.72 0.51 115.31 121.66 1ddb h LEU 109 Ca 0.14 0.03 0.08 0.00 0.11 0.00 0.00 57.88 58.24 1ddb h LEU 109 Cb 0.54 0.25 -0.09 0.00 -0.44 0.00 0.00 40.66 40.93 1ddb h LEU 109 CO 0.03 -0.68 -0.31 0.00 -4.11 0.00 0.00 178.44 173.36 1ddb h ALA 110 N -1.43 -0.18 0.00 0.17 0.00 -1.56 1.42 119.26 117.68 1ddb h ALA 110 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ddb h ALA 110 Cb 0.89 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ddb h ALA 110 CO 0.19 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.73 1ddb h ALA 111 N 0.76 1.00 -0.42 0.00 0.00 -0.98 -1.93 119.26 117.68 1ddb h ALA 111 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ddb h ALA 111 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ddb h ALA 111 CO -0.51 0.00 0.27 -0.56 0.00 0.00 0.00 179.25 178.44 1ddb h GLN 112 N 0.00 0.56 -0.65 0.00 3.07 0.71 -2.61 115.11 116.20 1ddb h GLN 112 Ca 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 58.66 1ddb h GLN 112 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 27.48 27.51 1ddb h GLN 112 CO 0.00 0.40 0.25 0.27 0.09 0.00 0.00 178.83 179.84 1ddb h PHE 113 N 0.56 0.99 -0.57 0.06 -5.15 -1.14 -3.40 116.94 108.30 1ddb h PHE 113 Ca 0.15 -0.08 -0.24 0.00 -0.20 0.00 0.00 57.97 57.60 1ddb h PHE 113 Cb -0.03 -0.29 -0.03 0.00 0.22 0.00 0.00 35.95 35.81 1ddb h PHE 113 CO -0.04 0.78 1.01 -0.12 -2.00 0.00 0.00 178.31 177.93 1ddb n MET 114 N -4.42 0.52 0.11 6.09 1.56 -0.99 -4.24 117.12 115.75 1ddb n MET 114 Ca 0.04 -0.38 0.00 0.00 -0.27 0.00 0.00 57.70 57.09 1ddb n MET 114 Cb 0.17 -2.89 0.00 0.00 2.15 0.00 0.00 33.22 32.66 1ddb n MET 114 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1ddb n ASN 115 N 14.64 -0.27 0.00 6.12 2.85 -1.26 -5.00 115.26 132.34 1ddb n ASN 115 Ca 0.51 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 1ddb n ASN 115 Cb 0.36 0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.81 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddb n GLY 116 N 1.38 -1.77 2.70 8.20 0.00 -1.26 -5.06 105.19 109.38 1ddb n GLY 116 Ca 0.00 0.99 -0.05 0.00 0.00 0.00 0.00 46.02 46.97 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 -1.03 0.00 1.61 2.88 -1.26 -5.04 113.62 110.78 1ddb n SER 117 Ca 0.00 -2.37 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1ddb n SER 117 Cb 0.00 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1ddb n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n LEU 118 N -0.85 0.00 -4.70 2.46 -0.00 -1.26 -4.50 117.00 108.14 1ddb n LEU 118 Ca -0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.65 1ddb n LEU 118 Cb 0.85 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.19 1ddb n LEU 118 CO -0.05 0.00 -0.32 -0.44 -0.00 0.00 0.00 177.39 176.58 1ddb s SER 119 N 0.00 5.13 -1.09 1.45 0.01 -1.26 -4.52 113.70 113.43 1ddb s SER 119 Ca 0.00 -0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.00 1ddb s SER 119 Cb 0.00 -1.27 0.14 0.00 0.21 0.00 0.00 66.02 65.10 1ddb s SER 119 CO 0.00 0.19 0.34 -0.62 0.41 0.00 0.00 173.24 173.56 1ddb n GLU 120 N 0.67 -1.37 -2.49 12.44 4.71 -1.26 -0.80 120.64 132.54 1ddb n GLU 120 Ca -0.11 0.08 -0.02 0.00 -0.01 0.00 0.00 57.16 57.11 1ddb n GLU 120 Cb 0.52 -3.91 0.00 0.00 -1.01 0.00 0.00 31.44 27.04 1ddb n GLU 120 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1ddb n GLU 121 N -3.05 -1.08 -0.08 3.49 0.00 -1.26 -5.02 120.64 113.64 1ddb n GLU 121 Ca 0.07 1.28 -0.08 0.00 0.00 0.00 0.00 57.16 58.43 1ddb n GLU 121 Cb 0.39 -4.30 -0.03 0.00 0.00 0.00 0.00 31.44 27.51 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ddb n ASP 122 N -1.17 1.87 -3.51 4.31 -0.08 0.02 -5.06 116.55 112.92 1ddb n ASP 122 Ca 0.02 0.49 -0.14 0.00 -1.51 0.00 0.00 54.79 53.66 1ddb n ASP 122 Cb 0.44 -0.82 -0.05 0.00 2.34 0.00 0.00 41.12 43.03 1ddb n ASP 122 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1ddb s LYS 123 N -2.52 0.98 -0.37 -0.67 0.00 -1.26 -5.00 119.74 110.89 1ddb s LYS 123 Ca -0.22 0.02 0.06 0.00 0.00 0.00 0.00 55.97 55.83 1ddb s LYS 123 Cb 0.04 0.46 0.56 0.00 0.00 0.00 0.00 37.83 38.89 1ddb s LYS 123 CO 0.33 -0.35 1.66 2.89 0.00 0.00 0.00 175.35 179.88 1ddb n ARG 124 N 0.47 2.09 -0.21 1.78 0.00 -1.26 -4.42 116.66 115.12 1ddb n ARG 124 Ca -0.16 -3.17 -0.02 0.00 -0.00 0.00 0.00 57.85 54.50 1ddb n ARG 124 Cb 0.59 -1.99 0.19 0.00 -0.00 0.00 0.00 32.46 31.25 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 1.10 0.89 -0.17 2.89 -0.73 -1.96 -0.89 115.58 116.71 1ddb h ASN 125 Ca 0.41 -0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.54 1ddb h ASN 125 Cb 2.06 -0.23 -0.06 0.00 0.27 0.00 0.00 38.32 40.36 1ddb h ASN 125 CO 0.74 0.75 -0.26 0.00 -0.37 0.00 0.00 177.43 178.28 1ddb h LEU 127 N -0.31 -0.03 -1.72 0.00 3.38 -1.79 -2.36 115.31 112.49 1ddb h LEU 127 Ca 0.11 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.50 1ddb h LEU 127 Cb 0.48 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1ddb h LEU 127 CO -0.35 -0.02 0.96 0.00 0.09 0.00 0.00 178.44 179.12 1ddb h ALA 128 N -1.98 3.04 0.00 1.53 0.00 -1.06 3.63 119.26 124.41 1ddb h ALA 128 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ddb h ALA 128 Cb 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ddb h ALA 128 CO 0.01 -1.53 -0.08 -0.22 0.00 0.00 0.00 179.25 177.43 1ddb h LYS 129 N 0.09 0.00 -0.02 0.00 3.11 0.43 -2.11 116.57 118.08 1ddb h LYS 129 Ca 0.73 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.57 1ddb h LYS 129 Cb 2.59 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 33.82 1ddb h LYS 129 CO -0.18 0.08 -0.02 0.00 -2.81 0.00 0.00 179.45 176.52 1ddb h ALA 130 N 1.92 0.03 -0.92 5.00 0.00 0.74 -2.46 119.26 123.57 1ddb h ALA 130 Ca -0.00 -0.25 0.26 0.00 0.00 0.00 0.00 54.91 54.93 1ddb h ALA 130 Cb 0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.79 1ddb h ALA 130 CO 0.01 -0.21 0.31 1.37 0.00 0.00 0.00 179.25 180.73 1ddb h LEU 131 N -0.40 0.10 0.29 0.00 8.10 -1.22 1.10 115.31 123.28 1ddb h LEU 131 Ca 0.00 0.20 -0.01 0.00 0.11 0.00 0.00 57.88 58.18 1ddb h LEU 131 Cb 0.50 0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.97 1ddb h LEU 131 CO 0.00 -0.18 -0.14 0.44 -4.11 0.00 0.00 178.44 174.46 1ddb h ASP 132 N 0.21 -0.33 0.59 0.17 5.19 -1.41 0.58 116.42 121.42 1ddb h ASP 132 Ca 0.61 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.90 1ddb h ASP 132 Cb 1.29 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.88 1ddb h ASP 132 CO -0.67 -0.10 -0.42 -0.33 -3.12 0.00 0.00 179.24 174.60 1ddb h GLU 133 N -0.56 -0.93 -0.92 3.56 4.39 0.11 0.97 114.58 121.21 1ddb h GLU 133 Ca -0.04 0.06 0.17 0.00 0.34 0.00 0.00 59.36 59.89 1ddb h GLU 133 Cb 0.41 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.20 1ddb h GLU 133 CO 0.07 -0.62 0.59 -0.24 -1.16 0.00 0.00 179.01 177.65 1ddb h VAL 134 N -0.96 0.78 0.00 3.13 3.04 0.97 1.95 116.25 125.16 1ddb h VAL 134 Ca -0.08 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1ddb h VAL 134 Cb 0.79 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1ddb h VAL 134 CO 0.04 0.12 0.00 1.17 -1.01 0.00 0.00 177.57 177.89 1ddb n LYS 135 N -4.58 0.93 -0.00 4.17 4.81 0.20 -0.58 118.16 123.11 1ddb n LYS 135 Ca 0.19 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.64 1ddb n LYS 135 Cb 0.54 -1.27 -0.02 0.00 0.02 0.00 0.00 35.03 34.30 1ddb n LYS 135 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1ddb n THR 136 N -0.77 0.01 -0.13 3.15 5.66 0.62 -4.31 114.28 118.52 1ddb n THR 136 Ca 0.12 -0.07 -0.25 0.00 -3.05 0.00 0.00 64.05 60.80 1ddb n THR 136 Cb 0.05 0.37 -0.08 0.00 -1.55 0.00 0.00 70.33 69.12 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddb n ALA 137 N -1.63 1.12 -2.92 1.79 0.00 0.95 -4.69 120.51 115.13 1ddb n ALA 137 Ca -0.01 -1.03 -0.30 0.00 0.00 0.00 0.00 53.44 52.10 1ddb n ALA 137 Cb 0.10 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 -4.30 3.79 -2.55 0.00 -1.74 0.25 -5.06 117.46 107.85 1ddb n PHE 138 Ca -0.45 -3.74 -0.34 0.00 -0.56 0.00 0.00 57.45 52.36 1ddb n PHE 138 Cb 0.80 -0.63 -0.04 0.00 1.52 0.00 0.00 39.48 41.13 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 3.82 0.00 3.97 0.04 -1.24 -3.93 135.00 134.10 1ddb s PRO 139 Ca 0.46 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1ddb s PRO 139 Cb 0.25 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1ddb s PRO 139 CO -0.13 -0.42 0.00 0.54 0.04 0.00 0.00 177.00 177.04 1ddb n ARG 140 N -0.93 -1.16 0.00 4.56 1.74 -1.26 -4.59 116.66 115.02 1ddb n ARG 140 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1ddb n ARG 140 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 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 1.52 0.00 0.13 0.55 8.00 -1.26 -3.31 116.55 122.18 1ddb n ASP 141 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1ddb n ASP 141 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.25 0.62 -1.24 4.05 -1.96 1.49 114.93 118.14 1ddb h MET 142 Ca 0.00 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1ddb h MET 142 Cb 0.00 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1ddb h MET 142 CO 0.00 0.25 -0.30 0.93 0.23 0.00 0.00 176.91 178.03 1ddb h GLU 143 N 0.25 -0.80 0.36 0.39 5.08 -1.96 -1.90 114.58 116.00 1ddb h GLU 143 Ca 0.06 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1ddb h GLU 143 Cb 0.14 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ddb h GLU 143 CO -0.00 -0.53 -0.17 -0.97 -1.00 0.00 0.00 179.01 176.34 1ddb h ASN 144 N -1.10 -0.41 -0.89 1.42 -0.00 -1.65 -0.53 115.58 112.43 1ddb h ASN 144 Ca -0.08 -0.14 0.10 0.00 -0.00 0.00 0.00 56.30 56.18 1ddb h ASN 144 Cb 0.64 0.11 -0.12 0.00 -0.00 0.00 0.00 38.32 38.94 1ddb h ASN 144 CO 0.14 0.03 -0.46 0.47 -0.00 0.00 0.00 177.43 177.61 1ddb n ASP 145 N -5.12 -0.80 0.23 1.15 9.92 0.51 0.38 116.55 122.81 1ddb n ASP 145 Ca -0.09 1.56 0.07 0.00 -0.53 0.00 0.00 54.79 55.81 1ddb n ASP 145 Cb 0.27 -0.26 0.53 0.00 -0.64 0.00 0.00 41.12 41.02 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1ddb h LYS 146 N 0.00 0.00 0.87 -1.24 1.63 -1.39 -2.52 116.57 113.91 1ddb h LYS 146 Ca 0.20 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1ddb h LYS 146 Cb 0.42 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1ddb h LYS 146 CO -0.85 0.21 -0.42 0.00 -3.45 0.00 0.00 179.45 174.95 1ddb h ALA 147 N 1.79 -1.16 -0.78 5.00 0.00 0.86 -0.72 119.26 124.26 1ddb h ALA 147 Ca -0.00 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ddb h ALA 147 Cb 0.42 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1ddb h ALA 147 CO 0.03 -1.14 0.37 0.00 0.00 0.00 0.00 179.25 178.51 1ddb h MET 148 N -1.18 0.55 -0.94 0.00 -0.00 -0.01 0.99 114.93 114.34 1ddb h MET 148 Ca -0.12 -0.03 0.07 0.00 -0.00 0.00 0.00 59.70 59.62 1ddb h MET 148 Cb 0.89 -0.12 -0.07 0.00 -0.00 0.00 0.00 31.60 32.30 1ddb h MET 148 CO 0.20 0.36 0.59 -0.07 -0.00 0.00 0.00 176.91 177.99 1ddb h LEU 149 N 0.57 0.94 -2.08 -0.10 3.38 -1.23 0.25 115.31 117.04 1ddb h LEU 149 Ca 0.41 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.48 1ddb h LEU 149 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ddb h LEU 149 CO -0.34 0.59 0.23 0.40 0.09 0.00 0.00 178.44 179.41 1ddb h ILE 150 N 1.07 0.70 0.72 1.22 2.04 0.76 -2.05 117.51 121.96 1ddb h ILE 150 Ca 0.41 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.24 1ddb h ILE 150 Cb 0.19 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1ddb h ILE 150 CO -0.18 0.00 -0.34 0.24 0.00 0.00 0.00 178.15 177.87 1ddb h MET 151 N 0.00 -0.93 -0.92 2.37 2.86 -0.20 0.86 114.93 118.97 1ddb h MET 151 Ca 0.13 0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.00 1ddb h MET 151 Cb 0.58 0.21 -0.10 0.00 0.06 0.00 0.00 31.60 32.35 1ddb h MET 151 CO -0.00 -0.59 0.51 0.00 1.06 0.00 0.00 176.91 177.89 1ddb h THR 152 N -1.08 0.73 0.00 2.22 1.03 -1.31 0.39 112.91 114.88 1ddb h THR 152 Ca -0.10 -0.24 -0.08 0.00 -0.01 0.00 0.00 66.41 65.99 1ddb h THR 152 Cb 0.76 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.80 1ddb h THR 152 CO 0.16 0.13 -0.36 -0.03 -0.01 0.00 0.00 175.52 175.41 1ddb h MET 153 N 0.70 0.00 0.06 0.00 -1.53 -1.28 -3.10 114.93 109.77 1ddb h MET 153 Ca 0.51 0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.80 1ddb h MET 153 Cb 0.74 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.74 1ddb h MET 153 CO -0.37 0.36 -0.33 1.37 0.14 0.00 0.00 176.91 178.09 1ddb h LEU 154 N 0.00 -0.97 0.06 3.39 8.10 0.23 2.65 115.31 128.77 1ddb h LEU 154 Ca -0.00 0.12 0.02 0.00 0.11 0.00 0.00 57.88 58.12 1ddb h LEU 154 Cb 0.72 0.38 -0.05 0.00 -0.44 0.00 0.00 40.66 41.27 1ddb h LEU 154 CO 0.05 -0.40 -0.52 -0.07 -4.11 0.00 0.00 178.44 173.38 1ddb h LEU 155 N -0.52 -1.59 0.21 0.17 4.07 -1.45 0.61 115.31 116.80 1ddb h LEU 155 Ca 0.05 0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.19 1ddb h LEU 155 Cb 0.57 0.60 -0.03 0.00 1.08 0.00 0.00 40.66 42.89 1ddb h LEU 155 CO -0.23 -0.53 -0.26 0.00 -1.08 0.00 0.00 178.44 176.33 1ddb h ALA 156 N -0.51 -0.51 -0.91 1.53 0.00 -1.48 2.81 119.26 120.20 1ddb h ALA 156 Ca 0.00 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.10 1ddb h ALA 156 Cb 0.73 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 1ddb h ALA 156 CO -0.32 -0.82 0.27 -0.22 0.00 0.00 0.00 179.25 178.16 1ddb h LYS 157 N -0.52 0.19 0.19 0.00 1.63 0.52 0.54 116.57 119.11 1ddb h LYS 157 Ca 0.01 -0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 1ddb h LYS 157 Cb 0.51 -0.04 0.03 0.00 -0.60 0.00 0.00 32.23 32.13 1ddb h LYS 157 CO -0.09 0.13 -1.37 0.87 -3.45 0.00 0.00 179.45 175.53 1ddb h LYS 158 N 0.20 0.56 0.00 1.90 1.57 0.13 -2.02 116.57 118.91 1ddb h LYS 158 Ca 0.59 -0.86 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ddb h LYS 158 Cb 1.24 0.31 0.00 0.00 0.08 0.00 0.00 32.23 33.85 1ddb h LYS 158 CO -0.68 1.40 0.00 0.28 -0.57 0.00 0.00 179.45 179.89 1ddb n VAL 159 N -3.74 0.00 -0.23 0.50 0.31 0.93 0.52 118.33 116.63 1ddb n VAL 159 Ca -0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 1ddb n VAL 159 Cb 1.05 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.98 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 -0.16 0.05 3.52 0.00 0.08 1.25 120.51 122.25 1ddb n ALA 160 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 53.44 54.01 1ddb n ALA 160 Cb 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.81 0.13 0.04 0.00 7.64 0.15 -3.94 113.62 112.84 1ddb n SER 161 Ca 0.04 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1ddb n SER 161 Cb 0.20 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.62 -2.05 -3.79 1.43 -0.00 4.71 -4.77 115.22 109.13 1ddb n HIS 162 Ca -0.00 0.23 -0.34 0.00 -0.00 0.00 0.00 57.72 57.61 1ddb n HIS 162 Cb 0.12 0.94 -0.11 0.00 -0.00 0.00 0.00 29.99 30.95 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 -2.00 3.62 -1.18 -1.41 0.00 10.76 -4.84 121.76 126.71 1ddb s ALA 163 Ca 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 51.96 48.44 1ddb s ALA 163 Cb 0.00 -2.50 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 1ddb s ALA 163 CO 0.00 -2.09 2.34 -0.35 0.00 0.00 0.00 175.76 175.66 1ddb n PRO 164 N 3.07 2.57 0.00 0.00 -0.04 -1.18 -0.74 135.00 138.69 1ddb n PRO 164 Ca 0.10 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1ddb n PRO 164 Cb 0.36 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.91 0.77 -3.03 3.54 2.88 -1.26 -4.78 113.62 116.64 1ddb n SER 165 Ca 0.56 -1.03 -0.15 0.00 -1.33 0.00 0.00 58.87 56.92 1ddb n SER 165 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ddb n LEU 166 N -0.02 0.34 0.00 2.46 4.32 -1.25 -4.96 117.00 117.90 1ddb n LEU 166 Ca 0.00 -4.59 -0.09 0.00 -0.02 0.00 0.00 56.01 51.31 1ddb n LEU 166 Cb 0.08 0.69 -0.03 0.00 -1.62 0.00 0.00 43.42 42.54 1ddb n LEU 166 CO 0.00 2.15 0.76 0.17 -1.22 0.00 0.00 177.39 179.25 1ddb h LEU 167 N 2.97 -0.46 -0.05 2.23 -0.00 -1.88 3.51 115.31 121.63 1ddb h LEU 167 Ca 0.03 0.08 0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1ddb h LEU 167 Cb 1.03 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1ddb h LEU 167 CO 0.43 -0.20 -0.03 0.08 -0.00 0.00 0.00 178.44 178.72 1ddb h ARG 168 N -0.19 -0.03 -0.26 0.17 0.11 -1.96 -1.84 114.38 110.37 1ddb h ARG 168 Ca 0.09 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.09 1ddb h ARG 168 Cb 0.32 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 1ddb h ARG 168 CO -0.23 -0.02 -0.20 0.22 0.10 0.00 0.00 179.97 179.84 1ddb h ASP 169 N -0.04 0.46 0.00 0.08 3.58 -1.82 -0.66 116.42 118.03 1ddb h ASP 169 Ca 0.03 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ddb h ASP 169 Cb 0.08 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1ddb h ASP 169 CO -0.07 0.67 -0.08 0.58 -2.88 0.00 0.00 179.24 177.45 1ddb h VAL 170 N 0.42 0.00 -0.05 2.25 2.07 0.74 1.01 116.25 122.69 1ddb h VAL 170 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1ddb h VAL 170 Cb 0.58 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1ddb h VAL 170 CO 0.04 0.00 0.03 -0.26 0.02 0.00 0.00 177.57 177.40 1ddb h PHE 171 N -0.10 0.05 -0.98 1.57 -1.00 -1.41 -1.59 116.94 113.49 1ddb h PHE 171 Ca 0.00 0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.04 1ddb h PHE 171 Cb 0.11 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 39.59 1ddb h PHE 171 CO -0.38 0.03 0.66 1.25 -1.61 0.00 0.00 178.31 178.26 1ddb h HIS 172 N 0.06 0.39 0.63 -0.55 2.76 -0.91 -0.51 115.15 117.02 1ddb h HIS 172 Ca 0.02 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1ddb h HIS 172 Cb -0.00 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 28.85 1ddb h HIS 172 CO -0.08 0.07 -0.30 1.15 -1.30 0.00 0.00 177.93 177.46 1ddb h THR 173 N 0.26 0.00 -0.25 6.26 2.02 0.21 0.15 112.91 121.56 1ddb h THR 173 Ca 0.51 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.45 1ddb h THR 173 Cb 1.52 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 1ddb h THR 173 CO -0.15 0.00 -0.54 0.71 0.37 0.00 0.00 175.52 175.90 1ddb h THR 174 N -1.13 0.01 0.00 3.16 1.35 -0.77 1.08 112.91 116.62 1ddb h THR 174 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1ddb h THR 174 Cb 0.65 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 1ddb h THR 174 CO 0.14 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.93 1ddb n VAL 175 N -5.41 0.00 -0.07 6.82 0.31 -0.31 -3.27 118.33 116.40 1ddb n VAL 175 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 1ddb n VAL 175 Cb 0.36 -0.17 -0.10 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.04 0.00 0.24 4.52 7.08 0.42 -1.24 115.58 126.65 1ddb h ASN 176 Ca 0.00 -0.79 -0.01 0.00 -3.08 0.00 0.00 56.30 52.42 1ddb h ASN 176 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 1ddb h ASN 176 CO 0.00 0.91 -0.12 -0.26 -2.08 0.00 0.00 177.43 175.88 1ddb h PHE 177 N -1.00 -0.30 -0.59 4.14 -1.00 -1.51 -0.23 116.94 116.44 1ddb h PHE 177 Ca -0.01 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1ddb h PHE 177 Cb 0.80 0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.44 1ddb h PHE 177 CO 0.22 -0.13 0.28 -0.84 -1.61 0.00 0.00 178.31 176.23 1ddb h ILE 178 N -0.41 1.21 -0.98 -0.55 -2.65 -1.72 -2.00 117.51 110.41 1ddb h ILE 178 Ca -0.03 -0.61 0.11 0.00 1.03 0.00 0.00 64.86 65.36 1ddb h ILE 178 Cb 0.31 0.52 -0.08 0.00 -2.05 0.00 0.00 36.82 35.52 1ddb h ILE 178 CO 0.06 0.25 0.62 -1.13 0.03 0.00 0.00 178.15 177.97 1ddb h ASN 179 N 0.81 0.89 0.00 2.16 -1.24 -1.03 0.29 115.58 117.47 1ddb h ASN 179 Ca 0.20 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1ddb h ASN 179 Cb 0.13 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1ddb h ASN 179 CO -0.02 0.49 0.00 1.67 -1.29 0.00 0.00 177.43 178.27 1ddb n GLN 180 N -4.59 0.00 0.00 6.67 -0.06 -0.11 -4.75 117.38 114.54 1ddb n GLN 180 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.18 1ddb n GLN 180 Cb 0.35 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.53 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1ddb n ASN 181 N 0.00 0.42 -2.21 1.69 5.15 -1.24 -4.71 115.26 114.36 1ddb n ASN 181 Ca 0.00 -0.74 -0.30 0.00 -0.60 0.00 0.00 54.58 52.94 1ddb n ASN 181 Cb 0.00 0.28 0.07 0.00 -0.53 0.00 0.00 39.78 39.60 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 -0.28 7.36 -0.16 1.20 7.99 -1.19 -4.73 117.00 127.19 1ddb n LEU 182 Ca 0.00 -4.01 0.15 0.00 -0.01 0.00 0.00 56.01 52.14 1ddb n LEU 182 Cb 0.04 -1.00 0.27 0.00 -0.11 0.00 0.00 43.42 42.63 1ddb n LEU 182 CO 0.00 1.40 0.49 0.33 -1.51 0.00 0.00 177.39 178.10 1ddb n PHE 183 N -0.56 0.48 -3.15 -1.77 -0.00 0.10 -3.76 117.46 108.80 1ddb n PHE 183 Ca 0.54 0.48 0.05 0.00 -0.00 0.00 0.00 57.45 58.52 1ddb n PHE 183 Cb 0.64 -0.92 -0.01 0.00 -0.00 0.00 0.00 39.48 39.19 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1ddb s SER 184 N -4.71 -0.65 0.09 -2.13 0.15 -1.26 -4.40 113.70 100.79 1ddb s SER 184 Ca -0.04 0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.97 1ddb s SER 184 Cb 0.15 1.52 -0.25 0.00 -1.71 0.00 0.00 66.02 65.73 1ddb s SER 184 CO 0.36 -0.12 1.18 0.22 1.20 0.00 0.00 173.24 176.07 1ddb h TYR 185 N 7.90 0.24 0.66 3.44 5.03 -1.95 -2.71 116.97 129.58 1ddb h TYR 185 Ca -0.14 -0.18 -0.02 0.00 2.58 0.00 0.00 58.73 60.97 1ddb h TYR 185 Cb 1.17 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 1ddb h TYR 185 CO 0.06 1.14 -0.47 -0.39 -1.32 0.00 0.00 178.16 177.18 1ddb h VAL 186 N 0.04 0.06 -0.73 1.81 -1.51 -1.96 0.28 116.25 114.24 1ddb h VAL 186 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1ddb h VAL 186 Cb 1.88 0.06 -0.04 0.00 -2.13 0.00 0.00 31.29 31.06 1ddb h VAL 186 CO 0.16 0.00 0.46 0.08 -1.23 0.00 0.00 177.57 177.04 1ddb h ARG 187 N -1.08 0.98 -0.63 5.19 -0.00 -1.99 -2.02 114.38 114.83 1ddb h ARG 187 Ca -0.08 -0.08 0.09 0.00 -0.00 0.00 0.00 59.98 59.91 1ddb h ARG 187 Cb 0.90 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.97 30.58 1ddb h ARG 187 CO 0.04 0.68 0.25 -0.97 -0.00 0.00 0.00 179.97 179.97 1ddb h ASN 188 N 1.00 0.27 -0.33 0.08 -1.24 -1.16 0.88 115.58 115.08 1ddb h ASN 188 Ca 0.27 0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.38 1ddb h ASN 188 Cb -0.07 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 1ddb h ASN 188 CO -0.05 0.16 0.13 0.25 -1.29 0.00 0.00 177.43 176.62 1ddb h LEU 189 N 0.45 0.16 -0.59 0.34 5.85 0.25 -0.54 115.31 121.22 1ddb h LEU 189 Ca 0.32 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.14 1ddb h LEU 189 Cb 0.38 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1ddb h LEU 189 CO -0.30 0.13 0.27 0.58 -0.34 0.00 0.00 178.44 178.78 1ddb h VAL 190 N 0.28 0.88 -0.41 1.05 2.07 -0.53 -0.92 116.25 118.67 1ddb h VAL 190 Ca 0.15 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1ddb h VAL 190 Cb 0.10 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1ddb h VAL 190 CO -0.14 0.09 0.14 -0.09 0.02 0.00 0.00 177.57 177.60 1ddb h ARG 191 N 0.51 0.29 -0.38 1.57 2.43 0.06 -1.91 114.38 116.94 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 0.25 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1ddb h ARG 191 CO -0.22 0.19 0.07 -0.91 -1.51 0.00 0.00 179.97 177.59 1ddb h ASN 192 N 0.30 -0.00 -3.72 -3.80 4.21 -0.07 -3.37 115.58 109.13 1ddb h ASN 192 Ca 0.19 0.07 -0.56 0.00 1.21 0.00 0.00 56.30 57.20 1ddb h ASN 192 Cb 0.18 0.09 -0.07 0.00 -1.12 0.00 0.00 38.32 37.40 1ddb h ASN 192 CO -0.20 0.03 0.93 -0.70 -1.29 0.00 0.00 177.43 176.21 1ddb s GLU 193 N -6.16 3.72 0.00 0.81 -6.30 -0.46 -4.25 118.70 106.06 1ddb s GLU 193 Ca -0.13 0.56 0.00 0.00 -2.50 0.00 0.00 54.97 52.90 1ddb s GLU 193 Cb 0.13 -3.91 0.00 0.00 0.00 0.00 0.00 34.13 30.35 1ddb s GLU 193 CO 0.71 -1.39 0.00 0.00 0.02 0.00 0.00 175.26 174.60 1ddb n MET 194 N 7.86 0.00 0.00 4.30 0.00 -1.26 -4.82 117.12 123.21 1ddb n MET 194 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.95 1ddb n MET 194 Cb 0.49 0.00 0.38 0.00 0.00 0.00 0.00 33.22 34.09 1ddb n MET 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50