#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 -2.81 -2.24 7.83 2.03 -1.26 -5.06 116.55 115.04 1ddb n ASP 2 Ca 0.00 0.42 -0.09 0.00 0.52 0.00 0.00 54.79 55.65 1ddb n ASP 2 Cb 0.00 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 38.74 1ddb n ASP 2 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ddb n SER 3 N -2.97 0.88 0.03 1.67 2.88 -1.26 -5.10 113.62 109.76 1ddb n SER 3 Ca -0.02 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 1ddb n SER 3 Cb 0.23 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.31 0.00 -0.05 -1.46 1.02 -1.26 -5.15 120.64 113.43 1ddb n GLU 4 Ca -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1ddb n GLU 4 Cb 0.21 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.63 1ddb n GLU 4 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ddb n VAL 5 N -2.67 0.00 -2.08 2.62 0.24 -1.26 -5.02 118.33 110.16 1ddb n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ddb n VAL 5 Cb 0.00 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1ddb n VAL 5 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ddb n SER 6 N -3.69 0.00 -3.69 -1.34 7.64 -1.26 -5.06 113.62 106.23 1ddb n SER 6 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1ddb n SER 6 Cb 0.02 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 1ddb n SER 6 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ddb s ASN 7 N -2.43 -0.48 0.06 6.43 -0.87 -1.26 -4.74 114.94 111.65 1ddb s ASN 7 Ca 0.00 0.80 0.01 0.00 -1.57 0.00 0.00 52.86 52.10 1ddb s ASN 7 Cb 0.00 0.83 -0.00 0.00 -0.02 0.00 0.00 41.25 42.05 1ddb s ASN 7 CO 0.00 -0.29 0.04 0.61 -2.57 0.00 0.00 177.10 174.90 1ddb n GLY 8 N 2.25 3.87 2.25 0.66 0.00 -1.26 -5.05 105.19 107.91 1ddb n GLY 8 Ca -0.16 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1ddb n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ddb n SER 9 N -2.51 -0.96 -0.72 1.61 3.41 -1.26 -5.14 113.62 108.05 1ddb n SER 9 Ca 0.01 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 1ddb n SER 9 Cb 0.11 1.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1ddb n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ddb n GLY 10 N -0.38 1.36 0.00 5.00 0.00 -1.26 -5.12 105.19 104.80 1ddb n GLY 10 Ca -0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1ddb n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ddb n LEU 11 N 0.00 0.00 0.00 0.99 7.94 -1.26 -5.18 117.00 119.49 1ddb n LEU 11 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ddb n LEU 11 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ddb n LEU 11 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1ddb n GLY 12 N 4.33 1.07 2.77 -3.96 0.00 -1.26 -5.19 105.19 102.96 1ddb n GLY 12 Ca 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.58 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N -1.18 -2.45 -1.66 4.61 0.00 -1.26 -5.12 120.51 113.45 1ddb n ALA 13 Ca 0.00 -0.58 -0.49 0.00 0.00 0.00 0.00 53.44 52.37 1ddb n ALA 13 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1ddb n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ddb n LYS 14 N -0.63 1.86 -0.14 0.00 4.01 -1.26 -4.85 118.16 117.16 1ddb n LYS 14 Ca 0.03 0.68 -0.05 0.00 -0.51 0.00 0.00 58.31 58.45 1ddb n LYS 14 Cb 0.40 -2.44 0.03 0.00 -0.51 0.00 0.00 35.03 32.52 1ddb n LYS 14 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1ddb h HIS 15 N 6.86 0.34 0.43 2.13 2.76 -1.99 0.69 115.15 126.37 1ddb h HIS 15 Ca -0.47 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.71 1ddb h HIS 15 Cb 1.28 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 30.15 1ddb h HIS 15 CO 0.72 0.16 -0.26 0.82 -1.30 0.00 0.00 177.93 178.07 1ddb h ILE 16 N 0.38 0.46 -0.84 6.26 1.08 -1.91 -2.33 117.51 120.62 1ddb h ILE 16 Ca 0.19 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.85 1ddb h ILE 16 Cb 0.14 0.46 -0.11 0.00 -3.07 0.00 0.00 36.82 34.24 1ddb h ILE 16 CO -0.16 0.00 0.36 0.74 -0.69 0.00 0.00 178.15 178.39 1ddb h THR 17 N -0.65 0.56 -0.99 -0.27 2.02 -1.83 0.51 112.91 112.25 1ddb h THR 17 Ca -0.05 -0.15 0.18 0.00 0.77 0.00 0.00 66.41 67.16 1ddb h THR 17 Cb 0.53 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 66.93 1ddb h THR 17 CO 0.05 0.08 0.62 -0.78 0.37 0.00 0.00 175.52 175.86 1ddb h ASP 18 N 0.44 0.77 0.21 4.18 3.58 -0.33 0.94 116.42 126.20 1ddb h ASP 18 Ca 0.50 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.98 1ddb h ASP 18 Cb 0.85 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1ddb h ASP 18 CO -0.47 0.30 -0.21 -0.07 -2.88 0.00 0.00 179.24 175.91 1ddb h LEU 19 N 0.76 0.00 -0.05 2.28 -0.00 0.34 -2.00 115.31 116.64 1ddb h LEU 19 Ca 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.43 1ddb h LEU 19 Cb 0.86 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.52 1ddb h LEU 19 CO -0.33 0.21 0.02 0.25 -0.00 0.00 0.00 178.44 178.59 1ddb h LEU 20 N 0.00 0.07 0.64 1.67 7.12 0.13 2.68 115.31 127.61 1ddb h LEU 20 Ca -0.00 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.82 1ddb h LEU 20 Cb 0.37 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1ddb h LEU 20 CO 0.03 0.20 -0.38 1.62 -0.13 0.00 0.00 178.44 179.79 1ddb h VAL 21 N -0.07 0.00 -0.24 1.05 3.04 -0.94 2.98 116.25 122.06 1ddb h VAL 21 Ca 0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1ddb h VAL 21 Cb 0.16 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.42 1ddb h VAL 21 CO -0.00 0.00 0.04 0.15 -1.01 0.00 0.00 177.57 176.75 1ddb h PHE 22 N -0.94 0.35 -0.01 3.17 3.57 -1.38 -2.14 116.94 119.56 1ddb h PHE 22 Ca -0.09 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.19 1ddb h PHE 22 Cb 0.75 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1ddb h PHE 22 CO -0.03 0.33 -0.89 0.78 -2.23 0.00 0.00 178.31 176.26 1ddb h GLY 23 N 0.58 0.38 0.30 2.40 0.00 0.50 -3.02 103.07 104.22 1ddb h GLY 23 Ca 0.08 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.77 1ddb h GLY 23 CO -0.00 0.57 -0.47 -2.75 0.00 0.00 0.00 176.54 173.89 1ddb h PHE 24 N 0.20 -1.33 -0.74 5.60 3.04 0.61 0.44 116.94 124.76 1ddb h PHE 24 Ca -0.06 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.97 1ddb h PHE 24 Cb 1.52 0.55 -0.06 0.00 2.56 0.00 0.00 35.95 40.53 1ddb h PHE 24 CO 0.05 -0.58 0.43 -0.07 -2.02 0.00 0.00 178.31 176.12 1ddb h LEU 25 N -0.77 0.67 -1.63 0.59 4.07 -1.63 0.30 115.31 116.91 1ddb h LEU 25 Ca -0.01 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.13 1ddb h LEU 25 Cb 0.75 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.33 1ddb h LEU 25 CO -0.21 0.43 0.50 -0.61 -1.08 0.00 0.00 178.44 177.47 1ddb h GLN 26 N 0.80 0.35 0.00 1.13 4.15 -1.21 -3.05 115.11 117.28 1ddb h GLN 26 Ca 0.32 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1ddb h GLN 26 Cb 0.17 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1ddb h GLN 26 CO -0.17 0.23 0.00 0.43 -1.93 0.00 0.00 178.83 177.39 1ddb n SER 27 N -4.46 0.00 -2.78 -0.69 7.64 0.08 -4.85 113.62 108.56 1ddb n SER 27 Ca 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 1ddb n SER 27 Cb 0.57 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.83 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 0.00 0.81 0.00 6.43 2.88 -1.14 -4.88 113.62 117.71 1ddb n SER 28 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1ddb n SER 28 Cb 0.00 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.72 0.70 0.00 0.46 0.00 -1.15 -4.50 105.19 99.98 1ddb n GLY 29 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddb n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s THR 31 N 0.00 0.11 0.20 0.00 -1.32 -1.26 -4.94 115.64 108.43 1ddb s THR 31 Ca 0.00 -0.90 -0.21 0.00 -1.21 0.00 0.00 61.69 59.37 1ddb s THR 31 Cb 0.00 -0.40 0.14 0.00 -1.51 0.00 0.00 72.50 70.72 1ddb s THR 31 CO 0.00 -0.49 1.56 0.08 -2.21 0.00 0.00 174.62 173.56 1ddb h ARG 32 N 4.41 -0.09 -0.31 7.08 0.11 -1.94 2.07 114.38 125.70 1ddb h ARG 32 Ca -0.32 0.01 0.09 0.00 0.10 0.00 0.00 59.98 59.86 1ddb h ARG 32 Cb 1.20 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 1ddb h ARG 32 CO 0.43 -0.06 0.32 1.96 0.10 0.00 0.00 179.97 182.71 1ddb h GLN 33 N -0.10 0.00 0.34 0.08 1.08 -1.97 -1.52 115.11 113.03 1ddb h GLN 33 Ca 0.26 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 1ddb h GLN 33 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1ddb h GLN 33 CO -0.83 0.00 -0.16 1.49 -0.95 0.00 0.00 178.83 178.37 1ddb h GLU 34 N 0.00 -0.44 -1.19 1.46 4.57 0.29 -1.67 114.58 117.60 1ddb h GLU 34 Ca 0.15 0.03 0.37 0.00 -1.18 0.00 0.00 59.36 58.73 1ddb h GLU 34 Cb 0.78 0.10 -0.12 0.00 -0.16 0.00 0.00 28.75 29.35 1ddb h GLU 34 CO -0.00 -0.12 0.76 1.37 -1.18 0.00 0.00 179.01 179.84 1ddb h LEU 35 N -0.88 0.33 -0.11 1.64 8.10 -0.31 0.97 115.31 125.05 1ddb h LEU 35 Ca -0.05 0.13 -0.07 0.00 0.11 0.00 0.00 57.88 58.00 1ddb h LEU 35 Cb 0.53 0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 1ddb h LEU 35 CO 0.08 -0.10 -0.20 -0.08 -4.11 0.00 0.00 178.44 174.03 1ddb h GLU 36 N 0.20 0.33 0.74 0.17 4.22 -1.36 2.33 114.58 121.22 1ddb h GLU 36 Ca 0.74 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.93 1ddb h GLU 36 Cb 2.14 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.42 1ddb h GLU 36 CO -0.40 0.80 -0.36 -0.24 -2.18 0.00 0.00 179.01 176.63 1ddb h VAL 37 N -0.10 0.24 -0.34 0.32 3.04 0.16 -1.28 116.25 118.30 1ddb h VAL 37 Ca 0.01 -0.07 -0.12 0.00 -1.01 0.00 0.00 66.70 65.51 1ddb h VAL 37 Cb 0.78 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 1ddb h VAL 37 CO 0.05 0.01 -0.26 -0.07 -1.01 0.00 0.00 177.57 176.28 1ddb h LEU 38 N -1.05 0.82 -0.94 3.16 3.38 0.02 -1.86 115.31 118.83 1ddb h LEU 38 Ca -0.10 -0.44 0.25 0.00 0.09 0.00 0.00 57.88 57.68 1ddb h LEU 38 Cb 0.78 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.17 1ddb h LEU 38 CO 0.17 1.09 0.45 1.23 0.09 0.00 0.00 178.44 181.46 1ddb h GLY 39 N 0.55 1.72 0.00 0.83 0.00 0.40 -3.41 103.07 103.17 1ddb h GLY 39 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ddb h GLY 39 CO 0.07 -0.34 0.00 -2.13 0.00 0.00 0.00 176.54 174.14 1ddb n ARG 40 N -5.05 0.00 -3.81 4.80 0.63 -0.49 -4.85 116.66 107.89 1ddb n ARG 40 Ca 0.25 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.06 1ddb n ARG 40 Cb 0.76 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.54 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1ddb s GLU 41 N 0.00 0.12 -0.45 -0.14 -6.30 -0.71 -4.69 118.70 106.53 1ddb s GLU 41 Ca 0.00 0.21 -0.13 0.00 -2.50 0.00 0.00 54.97 52.55 1ddb s GLU 41 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 34.13 34.20 1ddb s GLU 41 CO 0.00 -0.06 0.34 -0.51 0.02 0.00 0.00 175.26 175.05 1ddb s LEU 42 N 0.36 5.42 0.52 2.70 2.01 -1.26 -5.00 118.68 123.43 1ddb s LEU 42 Ca -0.02 -1.35 -0.19 0.00 0.01 0.00 0.00 54.13 52.58 1ddb s LEU 42 Cb -0.04 -2.11 -0.07 0.00 0.01 0.00 0.00 46.19 43.98 1ddb s LEU 42 CO -0.01 -0.59 1.04 -2.16 1.01 0.00 0.00 176.35 175.63 1ddb s PRO 43 N 1.57 3.66 -0.50 1.29 0.04 -1.26 -4.86 135.00 134.95 1ddb s PRO 43 Ca 0.04 1.29 -0.45 0.00 0.04 0.00 0.00 61.00 61.92 1ddb s PRO 43 Cb -0.23 -2.08 -0.19 0.00 0.04 0.00 0.00 34.50 32.04 1ddb s PRO 43 CO 0.05 -0.54 1.98 0.28 0.04 0.00 0.00 177.00 178.82 1ddb n VAL 44 N -1.32 0.00 -0.99 -0.36 0.31 -1.26 -4.68 118.33 110.03 1ddb n VAL 44 Ca 0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.08 1ddb n VAL 44 Cb 0.53 -0.50 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 1ddb n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ddb n GLN 45 N 6.51 0.00 -2.69 5.55 -0.06 -1.26 -4.90 117.38 120.53 1ddb n GLN 45 Ca 0.48 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 55.43 1ddb n GLN 45 Cb -0.05 -0.73 0.12 0.00 -4.06 0.00 0.00 30.24 25.52 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ddb n ALA 46 N -0.21 1.86 -0.84 1.69 0.00 -1.26 -5.13 120.51 116.61 1ddb n ALA 46 Ca 0.12 -1.37 -0.27 0.00 0.00 0.00 0.00 53.44 51.92 1ddb n ALA 46 Cb 0.21 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N -0.83 -2.22 0.00 0.00 9.36 -1.26 -4.96 117.16 117.25 1ddb n TYR 47 Ca -0.06 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.43 1ddb n TYR 47 Cb 0.85 -1.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 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 -1.13 0.00 0.00 2.98 8.01 -1.26 -5.04 117.44 121.00 1ddb n TRP 48 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 1ddb n TRP 48 Cb 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.63 1ddb n TRP 48 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.69 175.83 1ddb n GLU 49 N -1.09 0.00 0.00 -0.99 -0.00 -1.26 -5.14 120.64 112.16 1ddb n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1ddb n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ddb n ALA 50 N 0.00 0.00 -3.43 -1.84 0.00 -1.26 -5.16 120.51 108.83 1ddb n ALA 50 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1ddb n ALA 50 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1ddb n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ddb s ASP 51 N 0.00 -1.18 0.55 0.00 -1.08 -1.26 -5.12 116.67 108.59 1ddb s ASP 51 Ca 0.00 1.22 0.00 0.00 -0.52 0.00 0.00 52.55 53.25 1ddb s ASP 51 Cb 0.00 2.18 0.00 0.00 -1.46 0.00 0.00 42.92 43.64 1ddb s ASP 51 CO 0.00 -0.22 0.00 -0.11 0.52 0.00 0.00 175.17 175.36 1ddb n LEU 52 N 5.41 -2.13 -4.59 -1.34 7.94 -1.26 -5.04 117.00 115.99 1ddb n LEU 52 Ca -0.08 3.07 -0.27 0.00 -1.11 0.00 0.00 56.01 57.62 1ddb n LEU 52 Cb 0.50 -3.10 -0.10 0.00 0.53 0.00 0.00 43.42 41.26 1ddb n LEU 52 CO -0.02 0.16 -0.27 -1.83 -1.11 0.00 0.00 177.39 174.32 1ddb s GLU 53 N -4.12 1.92 0.36 1.96 -1.05 -1.26 -5.17 118.70 111.35 1ddb s GLU 53 Ca 0.00 -2.13 0.03 0.00 -0.15 0.00 0.00 54.97 52.73 1ddb s GLU 53 Cb 0.00 -1.30 -0.04 0.00 -0.44 0.00 0.00 34.13 32.36 1ddb s GLU 53 CO 0.00 -0.20 0.11 0.34 0.95 0.00 0.00 175.26 176.46 1ddb s ASP 54 N -3.67 2.36 0.25 0.83 2.15 -1.26 -5.17 116.67 112.15 1ddb s ASP 54 Ca 0.28 -1.56 -0.04 0.00 0.43 0.00 0.00 52.55 51.66 1ddb s ASP 54 Cb 0.07 0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 1ddb s ASP 54 CO 0.14 -0.83 0.31 -0.70 -0.17 0.00 0.00 175.17 173.92 1ddb s GLU 55 N -3.80 1.48 0.02 4.34 -6.30 -1.26 -5.18 118.70 108.00 1ddb s GLU 55 Ca 0.30 -1.56 -0.28 0.00 -2.50 0.00 0.00 54.97 50.93 1ddb s GLU 55 Cb 0.05 0.37 0.10 0.00 0.00 0.00 0.00 34.13 34.64 1ddb s GLU 55 CO 0.15 -0.56 1.24 -0.48 0.02 0.00 0.00 175.26 175.63 1ddb s LEU 56 N -3.14 -0.01 0.09 2.70 2.34 -1.26 -5.18 118.68 114.23 1ddb s LEU 56 Ca 0.32 -0.27 0.06 0.00 0.06 0.00 0.00 54.13 54.31 1ddb s LEU 56 Cb 0.03 1.46 -0.03 0.00 -0.56 0.00 0.00 46.19 47.09 1ddb s LEU 56 CO 0.14 -0.41 -0.17 0.00 -1.06 0.00 0.00 176.35 174.85 1ddb s GLN 57 N -2.13 0.97 0.25 1.48 -2.07 -1.26 -5.15 119.66 111.75 1ddb s GLN 57 Ca 0.25 -1.09 -0.15 0.00 -1.82 0.00 0.00 55.36 52.56 1ddb s GLN 57 Cb 0.00 -1.05 0.00 0.00 -1.09 0.00 0.00 33.01 30.87 1ddb s GLN 57 CO -0.00 0.23 0.52 -0.08 -1.32 0.00 0.00 175.29 174.64 1ddb s THR 58 N -1.40 0.00 -0.02 3.63 -1.32 -1.26 -5.18 115.64 110.09 1ddb s THR 58 Ca 0.03 -1.27 -0.17 0.00 -1.21 0.00 0.00 61.69 59.08 1ddb s THR 58 Cb -0.09 -2.09 0.03 0.00 -1.51 0.00 0.00 72.50 68.84 1ddb s THR 58 CO 0.03 -0.02 0.35 1.51 -2.21 0.00 0.00 174.62 174.28 1ddb s ASP 59 N -2.98 -0.25 0.00 8.08 -4.77 -1.26 -5.16 116.67 110.33 1ddb s ASP 59 Ca 0.19 0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.61 1ddb s ASP 59 Cb -0.02 0.35 0.00 0.00 -1.09 0.00 0.00 42.92 42.16 1ddb s ASP 59 CO 0.07 -0.46 0.00 0.61 0.70 0.00 0.00 175.17 176.09 1ddb n GLY 60 N 1.27 0.06 3.89 2.12 0.00 -1.26 -5.16 105.19 106.12 1ddb n GLY 60 Ca -0.21 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 1ddb n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ddb s SER 61 N 0.00 4.98 0.35 1.61 0.01 -1.26 -5.14 113.70 114.24 1ddb s SER 61 Ca 0.00 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.32 1ddb s SER 61 Cb 0.00 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.92 1ddb s SER 61 CO 0.00 -0.79 0.61 -1.58 0.41 0.00 0.00 173.24 171.90 1ddb s GLN 62 N -4.20 1.99 0.23 12.44 0.74 -1.26 -5.19 119.66 124.42 1ddb s GLN 62 Ca 0.47 -1.53 -0.02 0.00 0.05 0.00 0.00 55.36 54.33 1ddb s GLN 62 Cb -0.03 0.53 0.01 0.00 1.10 0.00 0.00 33.01 34.61 1ddb s GLN 62 CO 0.27 -0.88 0.33 0.00 -0.55 0.00 0.00 175.29 174.47 1ddb n ALA 63 N -0.52 -0.27 -1.10 1.58 0.00 -1.26 -5.13 120.51 113.80 1ddb n ALA 63 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1ddb n ALA 63 Cb 0.61 0.84 0.00 0.00 0.00 0.00 0.00 19.45 20.90 1ddb n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 64 N -1.78 -6.28 -0.00 0.00 7.64 -1.26 -5.03 113.62 106.91 1ddb n SER 64 Ca 0.00 0.86 -0.00 0.00 1.01 0.00 0.00 58.87 60.74 1ddb n SER 64 Cb 0.38 -3.00 -0.00 0.00 -1.01 0.00 0.00 64.21 60.58 1ddb n SER 64 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ddb n ARG 65 N -0.88 0.00 -0.43 1.43 3.00 -1.26 -5.14 116.66 113.39 1ddb n ARG 65 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 57.90 1ddb n ARG 65 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 32.46 32.21 1ddb n ARG 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ddb n SER 66 N -2.52 -2.56 -3.08 0.55 7.64 -1.26 -5.07 113.62 107.33 1ddb n SER 66 Ca -0.00 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1ddb n SER 66 Cb 0.00 -1.37 -0.02 0.00 -1.01 0.00 0.00 64.21 61.81 1ddb n SER 66 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1ddb s PHE 67 N -2.26 0.87 -0.30 1.43 0.40 -1.26 -5.16 117.98 111.70 1ddb s PHE 67 Ca 0.00 -1.21 -0.07 0.00 -0.60 0.00 0.00 56.93 55.06 1ddb s PHE 67 Cb 0.00 0.15 0.18 0.00 0.51 0.00 0.00 43.02 43.86 1ddb s PHE 67 CO 0.00 -1.28 0.82 -0.80 0.70 0.00 0.00 175.22 174.67 1ddb s ASN 68 N -3.21 -0.93 0.92 1.36 -0.87 -1.26 -5.17 114.94 105.78 1ddb s ASN 68 Ca 0.27 0.54 -0.06 0.00 -1.57 0.00 0.00 52.86 52.04 1ddb s ASN 68 Cb -0.02 1.77 0.09 0.00 -0.02 0.00 0.00 41.25 43.07 1ddb s ASN 68 CO 0.19 -0.17 0.54 0.00 -2.57 0.00 0.00 177.10 175.09 1ddb n GLN 69 N 5.44 -0.41 -3.62 -0.60 6.02 -1.26 -5.12 117.38 117.83 1ddb n GLN 69 Ca -0.03 -0.92 -0.06 0.00 -0.01 0.00 0.00 57.00 55.97 1ddb n GLN 69 Cb 0.53 -0.53 -0.02 0.00 1.02 0.00 0.00 30.24 31.23 1ddb n GLN 69 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ddb s GLY 70 N -4.13 -0.36 0.09 1.08 0.00 -1.26 -5.19 107.32 97.56 1ddb s GLY 70 Ca 0.32 0.57 -0.09 0.00 0.00 0.00 0.00 44.72 45.51 1ddb s GLY 70 CO 0.22 0.17 0.21 0.50 0.00 0.00 0.00 173.10 174.20 1ddb s ARG 71 N -3.22 0.86 -0.01 2.90 0.52 -1.26 -5.17 118.95 113.57 1ddb s ARG 71 Ca 0.08 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1ddb s ARG 71 Cb -0.01 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.81 1ddb s ARG 71 CO -0.04 -0.28 -0.04 0.42 0.02 0.00 0.00 175.30 175.39 1ddb s ILE 72 N -3.80 0.31 0.28 1.52 1.01 -1.26 -5.15 121.20 114.11 1ddb s ILE 72 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 1ddb s ILE 72 Cb 0.04 -0.28 -0.08 0.00 0.01 0.00 0.00 42.46 42.15 1ddb s ILE 72 CO -0.11 0.10 0.67 -1.61 0.00 0.00 0.00 174.94 173.99 1ddb s GLU 73 N 0.06 3.96 -0.06 2.79 8.01 -1.26 -5.02 118.70 127.17 1ddb s GLU 73 Ca -0.00 0.56 -0.11 0.00 0.01 0.00 0.00 54.97 55.42 1ddb s GLU 73 Cb -0.03 -2.56 -0.07 0.00 -4.31 0.00 0.00 34.13 27.16 1ddb s GLU 73 CO -0.00 0.24 0.46 -1.00 0.01 0.00 0.00 175.26 174.97 1ddb h PRO 74 N 2.50 -0.29 0.00 0.39 0.13 -2.01 -3.50 132.00 129.22 1ddb h PRO 74 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ddb h PRO 74 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ddb h PRO 74 CO 0.66 -0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 1ddb n ASP 75 N -4.97 0.00 -0.78 1.44 8.00 -1.26 -5.10 116.55 113.88 1ddb n ASP 75 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1ddb n ASP 75 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1ddb n ASP 75 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddb n SER 76 N -2.19 0.00 -4.13 -2.24 2.88 -1.26 -5.16 113.62 101.52 1ddb n SER 76 Ca 0.00 -0.78 -0.36 0.00 -1.33 0.00 0.00 58.87 56.40 1ddb n SER 76 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1ddb n SER 76 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ddb n GLU 77 N 0.00 -0.74 -3.39 -1.46 0.00 -1.26 -5.02 120.64 108.78 1ddb n GLU 77 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 57.16 56.93 1ddb n GLU 77 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 31.44 30.07 1ddb n GLU 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1ddb s SER 78 N -1.39 -0.76 0.00 -1.84 1.04 -1.26 -5.11 113.70 104.38 1ddb s SER 78 Ca 0.45 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1ddb s SER 78 Cb -0.00 1.81 0.00 0.00 0.10 0.00 0.00 66.02 67.93 1ddb s SER 78 CO 0.66 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 174.63 1ddb n GLN 79 N 5.41 0.00 0.00 4.02 6.02 -1.26 -5.13 117.38 126.44 1ddb n GLN 79 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1ddb n GLN 79 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1ddb n GLN 79 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ddb n GLU 80 N 0.00 0.00 0.00 -1.09 0.28 -1.26 -4.91 120.64 113.66 1ddb n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ddb n GLU 80 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ddb n GLU 80 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ddb n GLU 81 N -0.81 0.00 -0.01 3.44 1.02 -1.26 -4.91 120.64 118.12 1ddb n GLU 81 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1ddb n GLU 81 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ddb n ILE 82 N 0.00 0.00 -0.17 -3.67 2.08 -1.26 -4.27 119.36 112.06 1ddb n ILE 82 Ca 0.00 -0.28 0.22 0.00 0.56 0.00 0.00 62.75 63.25 1ddb n ILE 82 Cb 0.00 0.44 0.61 0.00 -0.75 0.00 0.00 39.64 39.95 1ddb n ILE 82 CO 0.00 0.00 0.00 -0.29 0.56 0.00 0.00 176.55 176.82 1ddb h ILE 83 N 0.00 0.65 0.82 1.39 -0.00 -1.97 0.21 117.51 118.61 1ddb h ILE 83 Ca 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 64.86 64.75 1ddb h ILE 83 Cb 0.72 0.44 0.01 0.00 -0.00 0.00 0.00 36.82 37.99 1ddb h ILE 83 CO 0.00 0.04 -0.39 0.45 -0.00 0.00 0.00 178.15 178.24 1ddb h HIS 84 N 0.20 -1.02 -0.51 2.19 3.86 -1.94 0.62 115.15 118.55 1ddb h HIS 84 Ca 0.41 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.68 1ddb h HIS 84 Cb 1.30 0.34 -0.07 0.00 1.06 0.00 0.00 27.41 30.04 1ddb h HIS 84 CO -0.00 -0.63 0.12 -0.97 0.86 0.00 0.00 177.93 177.31 1ddb h ASN 85 N -1.28 0.05 0.10 2.45 -0.73 -1.48 0.32 115.58 115.01 1ddb h ASN 85 Ca -0.11 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1ddb h ASN 85 Cb 0.84 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 1ddb h ASN 85 CO 0.18 0.05 -0.11 -0.29 -0.37 0.00 0.00 177.43 176.90 1ddb h ILE 86 N 0.27 1.09 0.61 2.57 6.09 -0.58 0.92 117.51 128.49 1ddb h ILE 86 Ca 0.26 -0.43 -0.02 0.00 -1.37 0.00 0.00 64.86 63.29 1ddb h ILE 86 Cb 0.33 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 1ddb h ILE 86 CO -0.31 0.13 -0.47 0.00 -3.07 0.00 0.00 178.15 174.42 1ddb h ALA 87 N 1.86 -1.19 -0.55 0.18 0.00 0.42 -1.26 119.26 118.73 1ddb h ALA 87 Ca 0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1ddb h ALA 87 Cb 0.22 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1ddb h ALA 87 CO 0.01 -1.19 0.07 0.07 0.00 0.00 0.00 179.25 178.22 1ddb h ARG 88 N -1.04 0.88 -0.25 0.00 0.11 -1.16 -1.66 114.38 111.27 1ddb h ARG 88 Ca -0.08 -0.22 0.07 0.00 0.10 0.00 0.00 59.98 59.86 1ddb h ARG 88 Cb 0.87 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 1ddb h ARG 88 CO 0.02 0.83 0.36 1.25 0.10 0.00 0.00 179.97 182.53 1ddb h HIS 89 N 0.83 0.00 0.44 4.08 2.76 -0.49 -1.51 115.15 121.26 1ddb h HIS 89 Ca 0.17 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1ddb h HIS 89 Cb 0.40 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1ddb h HIS 89 CO 0.02 0.00 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.11 1ddb h LEU 90 N 0.00 -1.31 0.08 0.26 4.07 -0.23 0.39 115.31 118.57 1ddb h LEU 90 Ca 0.12 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.21 1ddb h LEU 90 Cb 0.83 0.44 -0.05 0.00 1.08 0.00 0.00 40.66 42.96 1ddb h LEU 90 CO -0.00 -0.61 -0.36 0.00 -1.08 0.00 0.00 178.44 176.38 1ddb h ALA 91 N -0.94 -0.60 -0.89 1.53 0.00 -1.43 0.20 119.26 117.13 1ddb h ALA 91 Ca -0.05 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.07 1ddb h ALA 91 Cb 0.81 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1ddb h ALA 91 CO -0.08 -0.90 0.70 0.37 0.00 0.00 0.00 179.25 179.34 1ddb h GLN 92 N -0.56 0.00 -0.20 0.00 4.15 -1.33 1.12 115.11 118.28 1ddb h GLN 92 Ca 0.04 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 1ddb h GLN 92 Cb 0.61 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.30 1ddb h GLN 92 CO -0.24 0.00 -0.51 0.97 -1.93 0.00 0.00 178.83 177.12 1ddb h ILE 93 N 0.00 1.32 0.24 2.39 2.10 0.29 -1.74 117.51 122.11 1ddb h ILE 93 Ca 0.42 -1.74 -0.00 0.00 1.08 0.00 0.00 64.86 64.62 1ddb h ILE 93 Cb 1.82 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 39.26 1ddb h ILE 93 CO -0.00 0.54 -0.18 1.23 -1.08 0.00 0.00 178.15 178.66 1ddb h GLY 94 N 1.07 -0.42 0.94 8.18 0.00 0.22 1.92 103.07 114.98 1ddb h GLY 94 Ca 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ddb h GLY 94 CO 0.10 -0.18 -0.12 -1.80 0.00 0.00 0.00 176.54 174.54 1ddb h ASP 95 N -0.42 -0.29 -0.78 0.19 3.58 -1.49 -2.49 116.42 114.72 1ddb h ASP 95 Ca -0.02 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.41 1ddb h ASP 95 Cb 0.36 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1ddb h ASP 95 CO -0.00 -0.15 0.52 -0.08 -2.88 0.00 0.00 179.24 176.65 1ddb h GLU 96 N -0.41 1.01 -0.48 0.28 4.81 -1.18 -2.43 114.58 116.18 1ddb h GLU 96 Ca -0.03 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1ddb h GLU 96 Cb 0.31 -0.23 -0.09 0.00 0.63 0.00 0.00 28.75 29.38 1ddb h GLU 96 CO 0.06 0.67 -0.06 0.52 -0.73 0.00 0.00 179.01 179.46 1ddb h MET 97 N 1.04 0.05 -1.83 1.92 2.86 0.35 0.19 114.93 119.50 1ddb h MET 97 Ca 0.29 -0.00 0.53 0.00 -2.06 0.00 0.00 59.70 58.47 1ddb h MET 97 Cb -0.08 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.49 1ddb h MET 97 CO -0.07 0.03 1.31 -0.40 1.06 0.00 0.00 176.91 178.84 1ddb n ASP 98 N -5.29 0.01 -0.09 1.22 5.75 -0.92 0.23 116.55 117.47 1ddb n ASP 98 Ca 0.05 0.94 -0.06 0.00 -0.01 0.00 0.00 54.79 55.71 1ddb n ASP 98 Cb 0.26 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1ddb n ASP 98 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 1ddb h HIS 99 N 0.00 -0.06 -2.03 2.11 2.76 -0.75 -3.37 115.15 113.81 1ddb h HIS 99 Ca 0.88 0.02 -0.42 0.00 -2.20 0.00 0.00 60.37 58.65 1ddb h HIS 99 Cb 3.50 0.07 -0.32 0.00 1.55 0.00 0.00 27.41 32.22 1ddb h HIS 99 CO -0.00 -0.08 -0.74 1.21 -1.30 0.00 0.00 177.93 177.02 1ddb s ASN 100 N -5.24 1.25 -0.28 3.26 2.47 0.63 -5.08 114.94 111.96 1ddb s ASN 100 Ca -0.13 -1.94 -0.02 0.00 0.42 0.00 0.00 52.86 51.19 1ddb s ASN 100 Cb 0.12 0.36 0.12 0.00 -1.45 0.00 0.00 41.25 40.41 1ddb s ASN 100 CO 0.70 -0.23 0.25 -0.63 -3.72 0.00 0.00 177.10 173.47 1ddb s ILE 101 N 1.09 -0.32 0.00 -5.21 -1.09 -1.04 -4.90 121.20 109.73 1ddb s ILE 101 Ca 0.21 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1ddb s ILE 101 Cb -0.12 -0.95 0.00 0.00 -1.58 0.00 0.00 42.46 39.80 1ddb s ILE 101 CO -0.05 -0.50 0.00 0.00 -1.23 0.00 0.00 174.94 173.16 1ddb n GLN 102 N 5.30 0.00 0.00 2.79 10.64 -1.26 -4.74 117.38 130.11 1ddb n GLN 102 Ca -0.03 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.17 1ddb n GLN 102 Cb 0.46 0.00 0.20 0.00 -0.86 0.00 0.00 30.24 30.04 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1ddb n PRO 103 N 0.00 0.75 0.00 2.61 -0.04 -1.26 -4.13 135.00 132.93 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 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.64 0.00 0.00 0.52 -1.04 -1.26 -4.96 114.28 106.90 1ddb n THR 104 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1ddb n THR 104 Cb 0.02 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1ddb n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ddb n LEU 105 N 0.00 0.00 0.00 -4.42 -0.00 -1.26 -4.95 117.00 106.37 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ddb n LEU 105 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ddb n LEU 105 CO 0.00 0.00 0.49 1.33 -0.00 0.00 0.00 177.39 179.21 1ddb n VAL 106 N -0.00 0.00 -0.30 1.47 0.24 -1.26 0.35 118.33 118.83 1ddb n VAL 106 Ca 0.00 1.47 0.11 0.00 -2.04 0.00 0.00 64.34 63.89 1ddb n VAL 106 Cb 0.00 -2.23 0.28 0.00 -1.47 0.00 0.00 33.84 30.42 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ddb h ARG 107 N 0.00 0.38 0.00 7.34 2.43 -1.93 1.40 114.38 124.00 1ddb h ARG 107 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ddb h ARG 107 Cb 0.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1ddb h ARG 107 CO 0.00 0.25 -0.10 1.96 -1.51 0.00 0.00 179.97 180.57 1ddb h GLN 108 N 0.39 0.00 0.29 0.20 4.20 -1.74 0.54 115.11 119.00 1ddb h GLN 108 Ca 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1ddb h GLN 108 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1ddb h GLN 108 CO -0.52 0.10 -0.14 1.25 -0.67 0.00 0.00 178.83 178.85 1ddb h LEU 109 N 0.00 -0.33 -0.77 1.46 7.12 1.66 0.23 115.31 124.68 1ddb h LEU 109 Ca -0.00 0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.91 1ddb h LEU 109 Cb 0.59 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 1ddb h LEU 109 CO 0.01 -0.12 -0.28 0.00 -0.13 0.00 0.00 178.44 177.92 1ddb h ALA 110 N -1.58 0.95 -0.55 1.25 0.00 -1.31 -2.56 119.26 115.45 1ddb h ALA 110 Ca -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1ddb h ALA 110 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ddb h ALA 110 CO 0.07 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.10 1ddb h ALA 111 N 1.16 1.26 0.08 0.00 0.00 0.02 -2.74 119.26 119.04 1ddb h ALA 111 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ddb h ALA 111 Cb 0.76 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1ddb h ALA 111 CO 0.06 0.53 -0.46 -0.56 0.00 0.00 0.00 179.25 178.82 1ddb h GLN 112 N 0.81 -0.64 -0.79 0.00 -0.00 -0.10 -1.62 115.11 112.77 1ddb h GLN 112 Ca 0.18 0.04 0.13 0.00 -0.00 0.00 0.00 58.65 59.01 1ddb h GLN 112 Cb 0.24 0.15 -0.09 0.00 -0.00 0.00 0.00 27.48 27.77 1ddb h GLN 112 CO -0.01 -0.43 0.38 0.27 -0.00 0.00 0.00 178.83 179.04 1ddb h PHE 113 N -0.67 0.66 -2.27 0.06 -5.15 -1.50 -3.41 116.94 104.66 1ddb h PHE 113 Ca 0.02 0.03 -0.60 0.00 -0.20 0.00 0.00 57.97 57.22 1ddb h PHE 113 Cb 0.70 -0.17 0.07 0.00 0.22 0.00 0.00 35.95 36.77 1ddb h PHE 113 CO -0.42 0.16 0.64 -0.12 -2.00 0.00 0.00 178.31 176.57 1ddb n MET 114 N -4.91 1.86 0.00 6.09 1.56 -0.61 -4.92 117.12 116.19 1ddb n MET 114 Ca 0.15 0.67 0.00 0.00 -0.27 0.00 0.00 57.70 58.24 1ddb n MET 114 Cb 0.39 -2.36 0.00 0.00 2.15 0.00 0.00 33.22 33.40 1ddb n MET 114 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1ddb n ASN 115 N 2.75 0.00 0.00 6.12 4.13 -1.26 -4.97 115.26 122.03 1ddb n ASN 115 Ca 0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1ddb n ASN 115 Cb 0.28 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ddb n GLY 116 N 3.09 0.75 2.65 7.41 0.00 -1.26 -5.02 105.19 112.81 1ddb n GLY 116 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.24 0.00 1.61 2.88 -1.26 -5.01 113.62 109.60 1ddb n SER 117 Ca 0.00 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 1ddb n SER 117 Cb 0.00 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.90 1ddb n SER 117 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ddb n LEU 118 N 1.29 0.00 -3.08 2.46 4.32 -1.26 -4.05 117.00 116.68 1ddb n LEU 118 Ca 0.11 0.85 -0.20 0.00 -0.02 0.00 0.00 56.01 56.75 1ddb n LEU 118 Cb 0.63 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1ddb n LEU 118 CO 0.07 -0.38 -0.17 -0.24 -1.22 0.00 0.00 177.39 175.45 1ddb n SER 119 N -2.57 -0.53 -0.27 -1.43 2.88 -1.26 -4.90 113.62 105.54 1ddb n SER 119 Ca 0.00 -2.88 -0.01 0.00 -1.33 0.00 0.00 58.87 54.65 1ddb n SER 119 Cb 0.00 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.43 1ddb n SER 119 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ddb n GLU 120 N 1.36 -1.80 0.00 -1.46 0.28 -1.26 -4.19 120.64 113.56 1ddb n GLU 120 Ca 0.18 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1ddb n GLU 120 Cb 0.57 -3.50 0.00 0.00 1.43 0.00 0.00 31.44 29.93 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ddb n GLU 121 N -0.09 0.00 -0.83 3.44 1.02 -1.26 -5.07 120.64 117.85 1ddb n GLU 121 Ca -0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1ddb n GLU 121 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.54 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ddb n ASP 122 N 0.00 -0.43 -4.56 1.62 -0.08 -1.26 -5.03 116.55 106.82 1ddb n ASP 122 Ca 0.00 -1.64 -0.38 0.00 -1.51 0.00 0.00 54.79 51.25 1ddb n ASP 122 Cb 0.00 0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.55 1ddb n ASP 122 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1ddb s LYS 123 N 0.00 3.21 0.00 -0.67 3.01 -1.26 -3.64 119.74 120.39 1ddb s LYS 123 Ca 0.03 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.42 1ddb s LYS 123 Cb 0.03 -4.89 0.00 0.00 -1.01 0.00 0.00 37.83 31.96 1ddb s LYS 123 CO -0.01 -2.44 0.00 -2.13 0.51 0.00 0.00 175.35 171.28 1ddb n ARG 124 N 9.05 0.00 -0.12 1.68 0.63 -1.26 -4.86 116.66 121.78 1ddb n ARG 124 Ca 0.25 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.06 1ddb n ARG 124 Cb 0.50 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.38 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1ddb h ASN 125 N 0.00 0.70 0.14 6.15 2.35 -1.99 -0.75 115.58 122.19 1ddb h ASN 125 Ca 0.00 -0.37 0.02 0.00 -0.55 0.00 0.00 56.30 55.39 1ddb h ASN 125 Cb 0.00 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1ddb h ASN 125 CO 0.00 0.91 -0.42 0.00 -1.65 0.00 0.00 177.43 176.27 1ddb h LEU 127 N -0.67 -1.03 -0.90 0.00 -0.00 -1.90 -0.70 115.31 110.12 1ddb h LEU 127 Ca 0.02 0.09 0.25 0.00 -0.00 0.00 0.00 57.88 58.24 1ddb h LEU 127 Cb 0.68 0.36 -0.15 0.00 -0.00 0.00 0.00 40.66 41.55 1ddb h LEU 127 CO -0.23 -0.44 0.26 0.00 -0.00 0.00 0.00 178.44 178.04 1ddb h ALA 128 N -1.04 1.36 0.00 0.17 0.00 -0.87 4.37 119.26 123.25 1ddb h ALA 128 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ddb h ALA 128 Cb 0.58 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ddb h ALA 128 CO -0.11 -0.50 0.00 -0.22 0.00 0.00 0.00 179.25 178.42 1ddb h LYS 129 N 0.20 0.00 -0.01 0.00 1.63 0.22 -1.72 116.57 116.90 1ddb h LYS 129 Ca 0.58 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.37 1ddb h LYS 129 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1ddb h LYS 129 CO -0.67 0.00 -0.05 0.00 -3.45 0.00 0.00 179.45 175.28 1ddb h ALA 130 N 2.03 0.01 -0.98 5.00 0.00 1.00 -2.62 119.26 123.71 1ddb h ALA 130 Ca 0.00 -0.37 0.27 0.00 0.00 0.00 0.00 54.91 54.81 1ddb h ALA 130 Cb 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.75 1ddb h ALA 130 CO 0.00 -0.10 0.53 1.37 0.00 0.00 0.00 179.25 181.05 1ddb h LEU 131 N -0.65 0.51 -0.09 0.00 -0.00 -0.93 0.68 115.31 114.84 1ddb h LEU 131 Ca -0.00 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1ddb h LEU 131 Cb 0.76 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.52 1ddb h LEU 131 CO 0.01 -0.02 0.01 0.44 -0.00 0.00 0.00 178.44 178.88 1ddb h ASP 132 N 0.44 0.14 0.68 0.17 3.32 -1.53 0.22 116.42 119.86 1ddb h ASP 132 Ca 0.66 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 1ddb h ASP 132 Cb 1.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1ddb h ASP 132 CO -0.54 0.39 -0.44 -0.33 -1.72 0.00 0.00 179.24 176.59 1ddb h GLU 133 N -0.11 -1.03 -0.98 3.56 4.39 0.23 0.82 114.58 121.47 1ddb h GLU 133 Ca 0.03 0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.92 1ddb h GLU 133 Cb 0.31 0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 1ddb h GLU 133 CO 0.00 -0.69 0.62 -0.24 -1.16 0.00 0.00 179.01 177.55 1ddb h VAL 134 N -1.07 0.91 0.00 3.13 3.04 0.07 1.48 116.25 123.81 1ddb h VAL 134 Ca -0.09 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1ddb h VAL 134 Cb 0.87 -0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1ddb h VAL 134 CO 0.07 0.17 0.00 0.29 -1.01 0.00 0.00 177.57 177.09 1ddb n LYS 135 N -4.60 0.71 -0.00 4.17 5.02 0.78 -0.19 118.16 124.05 1ddb n LYS 135 Ca 0.18 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 1ddb n LYS 135 Cb 0.37 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1ddb n LYS 135 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ddb n THR 136 N -1.01 0.00 -0.10 -0.18 -2.24 0.44 -4.26 114.28 106.93 1ddb n THR 136 Ca 0.17 -0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 1ddb n THR 136 Cb 0.09 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddb n ALA 137 N -1.38 1.19 -3.18 6.98 0.00 0.22 -4.78 120.51 119.57 1ddb n ALA 137 Ca -0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 53.44 52.29 1ddb n ALA 137 Cb 0.07 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 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 -4.27 2.73 -1.85 0.00 -1.74 0.74 -5.07 117.46 108.00 1ddb n PHE 138 Ca -0.32 -3.97 -0.32 0.00 -0.56 0.00 0.00 57.45 52.28 1ddb n PHE 138 Cb 0.67 -0.48 0.03 0.00 1.52 0.00 0.00 39.48 41.21 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 -2.67 3.19 0.00 3.97 0.04 -1.21 -4.30 135.00 134.02 1ddb s PRO 139 Ca 0.43 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1ddb s PRO 139 Cb 0.23 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ddb s PRO 139 CO -0.08 -0.91 0.00 0.54 0.04 0.00 0.00 177.00 176.59 1ddb n ARG 140 N -2.51 -1.14 0.00 4.56 1.74 -1.26 -4.63 116.66 113.41 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 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 1.17 0.00 0.12 0.55 9.92 -1.26 -3.61 116.55 123.44 1ddb n ASP 141 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1ddb n ASP 141 Cb 0.00 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 40.72 1ddb n ASP 141 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ddb h MET 142 N 0.00 0.16 0.71 -1.24 -0.00 -1.99 0.47 114.93 113.04 1ddb h MET 142 Ca 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 1ddb h MET 142 Cb 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1ddb h MET 142 CO 0.00 0.57 -0.34 0.93 -0.00 0.00 0.00 176.91 178.07 1ddb h GLU 143 N 0.13 -0.92 0.40 -0.10 5.08 -1.97 -1.50 114.58 115.71 1ddb h GLU 143 Ca 0.01 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ddb h GLU 143 Cb 0.83 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ddb h GLU 143 CO 0.06 -0.61 -0.19 -0.97 -1.00 0.00 0.00 179.01 176.30 1ddb h ASN 144 N -1.23 -0.46 -0.95 1.42 -1.24 -1.74 -0.13 115.58 111.24 1ddb h ASN 144 Ca -0.10 -0.12 0.12 0.00 0.71 0.00 0.00 56.30 56.91 1ddb h ASN 144 Cb 0.73 0.12 -0.14 0.00 0.73 0.00 0.00 38.32 39.76 1ddb h ASN 144 CO 0.16 -0.08 -0.45 -0.67 -1.29 0.00 0.00 177.43 175.11 1ddb n ASP 145 N -5.19 -0.77 0.23 1.15 -0.08 0.17 0.35 116.55 112.41 1ddb n ASP 145 Ca -0.10 1.68 0.07 0.00 -1.51 0.00 0.00 54.79 54.93 1ddb n ASP 145 Cb 0.29 -0.32 0.54 0.00 2.34 0.00 0.00 41.12 43.97 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ddb h LYS 146 N 0.00 0.00 0.66 -0.67 3.64 -1.27 -2.66 116.57 116.27 1ddb h LYS 146 Ca 0.26 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1ddb h LYS 146 Cb 0.50 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ddb h LYS 146 CO -0.93 0.20 -0.32 0.00 -2.27 0.00 0.00 179.45 176.14 1ddb h ALA 147 N 1.80 -0.88 -0.61 5.00 0.00 0.80 -2.07 119.26 123.30 1ddb h ALA 147 Ca -0.00 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1ddb h ALA 147 Cb 0.40 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1ddb h ALA 147 CO 0.03 -0.95 0.06 0.00 0.00 0.00 0.00 179.25 178.39 1ddb h MET 148 N -0.99 0.18 -0.99 0.00 -0.00 0.08 0.23 114.93 113.43 1ddb h MET 148 Ca -0.09 -0.01 0.16 0.00 -0.00 0.00 0.00 59.70 59.76 1ddb h MET 148 Cb 0.71 -0.04 -0.10 0.00 -0.00 0.00 0.00 31.60 32.17 1ddb h MET 148 CO 0.15 0.12 0.61 1.25 -0.00 0.00 0.00 176.91 179.03 1ddb h LEU 149 N 0.18 0.83 -2.24 -0.10 5.85 -1.34 1.00 115.31 119.49 1ddb h LEU 149 Ca 0.32 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 1ddb h LEU 149 Cb 0.50 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1ddb h LEU 149 CO -0.47 0.36 -0.05 0.40 -0.34 0.00 0.00 178.44 178.34 1ddb h ILE 150 N 0.85 0.55 0.58 4.05 5.03 0.17 -2.71 117.51 126.04 1ddb h ILE 150 Ca 0.54 -0.22 -0.02 0.00 -0.12 0.00 0.00 64.86 65.03 1ddb h ILE 150 Cb 0.71 1.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.63 1ddb h ILE 150 CO -0.33 0.05 -0.40 0.24 -0.68 0.00 0.00 178.15 177.03 1ddb h MET 151 N 0.00 -0.91 -0.28 2.37 2.86 0.15 1.06 114.93 120.19 1ddb h MET 151 Ca -0.00 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1ddb h MET 151 Cb 0.14 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1ddb h MET 151 CO 0.01 -0.60 0.07 0.00 1.06 0.00 0.00 176.91 177.45 1ddb h THR 152 N -0.94 0.89 0.00 2.22 1.03 -1.46 -0.96 112.91 113.70 1ddb h THR 152 Ca -0.07 -0.06 -0.04 0.00 -0.01 0.00 0.00 66.41 66.23 1ddb h THR 152 Cb 0.78 0.69 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 1ddb h THR 152 CO 0.04 0.03 -0.18 0.24 -0.01 0.00 0.00 175.52 175.65 1ddb h MET 153 N 0.19 0.00 0.10 0.00 2.07 -1.33 -2.82 114.93 113.13 1ddb h MET 153 Ca 0.13 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.78 1ddb h MET 153 Cb 0.12 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 1ddb h MET 153 CO -0.15 0.18 -0.23 1.25 1.07 0.00 0.00 176.91 179.02 1ddb h LEU 154 N 0.00 -0.66 -0.30 1.22 7.12 0.26 0.72 115.31 123.67 1ddb h LEU 154 Ca -0.00 0.08 0.05 0.00 0.13 0.00 0.00 57.88 58.14 1ddb h LEU 154 Cb 0.36 0.25 -0.08 0.00 -0.53 0.00 0.00 40.66 40.67 1ddb h LEU 154 CO 0.02 -0.32 -0.50 -0.07 -0.13 0.00 0.00 178.44 177.44 1ddb h LEU 155 N -0.42 -1.64 -0.09 2.25 4.07 -1.28 0.47 115.31 118.67 1ddb h LEU 155 Ca 0.03 0.22 0.04 0.00 0.08 0.00 0.00 57.88 58.25 1ddb h LEU 155 Cb 0.45 0.67 -0.04 0.00 1.08 0.00 0.00 40.66 42.82 1ddb h LEU 155 CO -0.14 -0.42 -0.16 0.00 -1.08 0.00 0.00 178.44 176.63 1ddb h ALA 156 N 0.04 -0.11 -0.71 1.53 0.00 -1.49 3.72 119.26 122.23 1ddb h ALA 156 Ca 0.08 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1ddb h ALA 156 Cb 0.62 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 1ddb h ALA 156 CO -0.52 -0.62 -0.14 -0.22 0.00 0.00 0.00 179.25 177.74 1ddb h LYS 157 N -0.22 0.02 -0.00 0.00 1.63 0.19 0.60 116.57 118.78 1ddb h LYS 157 Ca 0.08 -0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.71 1ddb h LYS 157 Cb 0.34 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1ddb h LYS 157 CO -0.22 0.01 -0.68 0.87 -3.45 0.00 0.00 179.45 175.98 1ddb h LYS 158 N 0.02 0.47 0.00 1.90 6.56 0.92 -2.19 116.57 124.24 1ddb h LYS 158 Ca 0.35 -0.50 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1ddb h LYS 158 Cb 0.55 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1ddb h LYS 158 CO -0.71 1.14 0.00 0.28 -2.06 0.00 0.00 179.45 178.10 1ddb n VAL 159 N -4.15 0.00 -0.08 0.50 0.31 1.22 0.30 118.33 116.43 1ddb n VAL 159 Ca -0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.20 1ddb n VAL 159 Cb 0.71 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.62 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 -0.13 0.09 3.52 0.00 0.30 1.18 120.51 122.47 1ddb n ALA 160 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.64 1ddb n ALA 160 Cb 0.00 0.01 0.17 0.00 0.00 0.00 0.00 19.45 19.63 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -3.75 0.16 0.00 0.00 7.64 0.19 -3.58 113.62 114.28 1ddb n SER 161 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1ddb n SER 161 Cb 0.05 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.67 -1.39 -3.66 1.43 -0.00 6.04 -4.80 115.22 111.16 1ddb n HIS 162 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.33 1ddb n HIS 162 Cb 0.34 0.48 -0.09 0.00 -0.00 0.00 0.00 29.99 30.72 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 -1.96 3.52 -1.20 -1.41 0.00 9.41 -4.85 121.76 125.26 1ddb s ALA 163 Ca 0.00 -3.00 -0.09 0.00 0.00 0.00 0.00 51.96 48.86 1ddb s ALA 163 Cb 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 23.12 20.32 1ddb s ALA 163 CO 0.00 -2.03 2.41 -0.35 0.00 0.00 0.00 175.76 175.79 1ddb n PRO 164 N 3.99 2.68 -0.10 0.00 -0.04 -1.24 0.11 135.00 140.40 1ddb n PRO 164 Ca 0.04 -1.84 -0.19 0.00 -0.04 0.00 0.00 63.50 61.47 1ddb n PRO 164 Cb 0.40 -2.67 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 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 4.38 1.71 -3.32 3.54 7.64 -1.26 -4.74 113.62 121.57 1ddb n SER 165 Ca 0.58 0.15 -0.29 0.00 1.01 0.00 0.00 58.87 60.32 1ddb n SER 165 Cb 0.21 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.85 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 -3.65 4.37 0.00 -3.43 4.32 -1.26 -4.92 117.00 112.43 1ddb n LEU 166 Ca -0.37 -5.51 0.00 0.00 -0.02 0.00 0.00 56.01 50.11 1ddb n LEU 166 Cb 0.79 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1ddb n LEU 166 CO 0.07 2.13 0.48 0.00 -1.22 0.00 0.00 177.39 178.85 1ddb n LEU 167 N 0.49 0.00 -0.27 2.23 -0.00 -1.26 0.37 117.00 118.57 1ddb n LEU 167 Ca 0.31 0.97 0.07 0.00 -0.00 0.00 0.00 56.01 57.36 1ddb n LEU 167 Cb 0.39 -0.47 0.19 0.00 -0.00 0.00 0.00 43.42 43.53 1ddb n LEU 167 CO 0.42 -0.47 0.87 0.08 -0.00 0.00 0.00 177.39 178.28 1ddb h ARG 168 N 0.00 0.15 -0.49 1.47 0.11 -1.93 0.82 114.38 114.51 1ddb h ARG 168 Ca 0.00 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1ddb h ARG 168 Cb 0.00 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.03 1ddb h ARG 168 CO 0.00 0.10 0.01 -0.44 0.10 0.00 0.00 179.97 179.74 1ddb h ASP 169 N 0.15 0.77 0.18 0.08 3.32 -1.86 -2.27 116.42 116.78 1ddb h ASP 169 Ca 0.45 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1ddb h ASP 169 Cb 0.81 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1ddb h ASP 169 CO -0.64 0.83 -0.51 0.58 -1.72 0.00 0.00 179.24 177.77 1ddb h VAL 170 N 0.75 0.00 -0.14 -1.35 2.07 1.37 0.36 116.25 119.32 1ddb h VAL 170 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1ddb h VAL 170 Cb 0.44 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 1ddb h VAL 170 CO 0.02 0.00 -0.22 -0.26 0.02 0.00 0.00 177.57 177.13 1ddb h PHE 171 N -0.77 -0.57 -0.86 1.57 -1.00 -1.16 0.80 116.94 114.94 1ddb h PHE 171 Ca -0.02 0.03 0.21 0.00 2.81 0.00 0.00 57.97 61.00 1ddb h PHE 171 Cb 0.75 0.27 -0.06 0.00 3.61 0.00 0.00 35.95 40.53 1ddb h PHE 171 CO -0.42 -0.30 0.58 1.25 -1.61 0.00 0.00 178.31 177.82 1ddb h HIS 172 N -0.27 0.39 0.61 -0.55 2.76 -0.98 -0.68 115.15 116.43 1ddb h HIS 172 Ca 0.10 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1ddb h HIS 172 Cb 0.42 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 29.27 1ddb h HIS 172 CO -0.33 0.11 -0.29 1.15 -1.30 0.00 0.00 177.93 177.27 1ddb h THR 173 N 0.30 0.40 0.18 6.26 2.02 0.22 0.56 112.91 122.85 1ddb h THR 173 Ca 0.44 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.61 1ddb h THR 173 Cb 1.24 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1ddb h THR 173 CO -0.13 0.00 -0.27 0.71 0.37 0.00 0.00 175.52 176.20 1ddb h THR 174 N -0.82 0.00 0.00 3.16 1.35 -0.65 0.16 112.91 116.11 1ddb h THR 174 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1ddb h THR 174 Cb 0.63 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 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 -4.00 0.00 -0.04 6.82 0.31 -0.79 -2.78 118.33 117.86 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 0.23 -0.33 -0.07 0.00 -0.91 0.00 0.00 33.84 32.76 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 -0.03 0.24 4.52 7.08 0.31 -2.68 115.58 125.02 1ddb h ASN 176 Ca 0.00 -0.48 -0.01 0.00 -3.08 0.00 0.00 56.30 52.73 1ddb h ASN 176 Cb 0.00 0.01 -0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1ddb h ASN 176 CO 0.00 0.69 -0.14 -0.26 -2.08 0.00 0.00 177.43 175.64 1ddb h PHE 177 N -0.98 -0.37 -0.33 4.14 -1.00 -1.35 0.13 116.94 117.18 1ddb h PHE 177 Ca -0.00 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.84 1ddb h PHE 177 Cb 0.51 0.13 -0.07 0.00 3.61 0.00 0.00 35.95 40.13 1ddb h PHE 177 CO 0.13 -0.23 -0.17 0.82 -1.61 0.00 0.00 178.31 177.26 1ddb h ILE 178 N -0.37 0.49 -1.00 -0.55 2.04 -1.72 5.40 117.51 121.80 1ddb h ILE 178 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1ddb h ILE 178 Cb 0.30 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1ddb h ILE 178 CO 0.03 0.00 0.65 -1.13 0.00 0.00 0.00 178.15 177.70 1ddb h ASN 179 N -0.12 1.03 -0.16 1.72 -1.24 -1.21 0.23 115.58 115.83 1ddb h ASN 179 Ca 0.17 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1ddb h ASN 179 Cb 0.38 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1ddb h ASN 179 CO -0.40 0.64 0.00 1.67 -1.29 0.00 0.00 177.43 178.05 1ddb n GLN 180 N -4.51 1.93 0.00 6.67 -0.06 0.43 -4.74 117.38 117.10 1ddb n GLN 180 Ca 0.16 -1.39 0.00 0.00 -2.00 0.00 0.00 57.00 53.77 1ddb n GLN 180 Cb 0.21 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 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 0.63 0.00 -2.33 1.69 4.05 1.73 -4.96 115.26 116.07 1ddb n ASN 181 Ca 0.17 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.89 1ddb n ASN 181 Cb 0.42 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.48 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ddb n LEU 182 N 0.00 7.29 -2.78 1.20 7.99 -1.25 -4.87 117.00 124.58 1ddb n LEU 182 Ca 0.00 -4.12 -0.10 0.00 -0.01 0.00 0.00 56.01 51.78 1ddb n LEU 182 Cb 0.00 -1.03 -0.03 0.00 -0.11 0.00 0.00 43.42 42.25 1ddb n LEU 182 CO 0.00 1.48 -0.10 0.33 -1.51 0.00 0.00 177.39 177.58 1ddb n PHE 183 N -0.40 -0.35 0.00 -1.77 7.35 -1.08 -4.60 117.46 116.62 1ddb n PHE 183 Ca 0.52 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 57.39 1ddb n PHE 183 Cb 0.57 -0.69 0.00 0.00 0.35 0.00 0.00 39.48 39.70 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 -0.43 0.00 -4.83 -2.13 7.64 -1.26 -5.00 113.62 107.62 1ddb n SER 184 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 1ddb n SER 184 Cb 0.17 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.42 1ddb n SER 184 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ddb s TYR 185 N -0.26 3.18 0.31 1.43 5.04 -1.26 -4.83 117.35 120.96 1ddb s TYR 185 Ca 0.00 1.39 0.08 0.00 -2.44 0.00 0.00 57.07 56.09 1ddb s TYR 185 Cb 0.00 -2.87 0.86 0.00 0.35 0.00 0.00 41.96 40.30 1ddb s TYR 185 CO 0.00 -1.18 1.68 -0.24 -1.34 0.00 0.00 175.55 174.48 1ddb h VAL 186 N -0.67 0.40 -0.14 3.14 3.04 -1.95 0.30 116.25 120.37 1ddb h VAL 186 Ca -0.44 -0.13 0.04 0.00 -1.01 0.00 0.00 66.70 65.17 1ddb h VAL 186 Cb 1.21 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 30.44 1ddb h VAL 186 CO 0.58 0.07 -0.15 -0.09 -1.01 0.00 0.00 177.57 176.97 1ddb h ARG 187 N 0.37 -0.17 -0.73 4.17 2.43 -1.97 -0.03 114.38 118.44 1ddb h ARG 187 Ca 0.62 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.92 1ddb h ARG 187 Cb 1.28 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 1ddb h ARG 187 CO -0.57 -0.12 0.33 -0.91 -1.51 0.00 0.00 179.97 177.20 1ddb h ASN 188 N -0.18 0.38 -0.08 -3.80 4.21 -0.78 0.51 115.58 115.85 1ddb h ASN 188 Ca 0.10 0.08 0.03 0.00 1.21 0.00 0.00 56.30 57.72 1ddb h ASN 188 Cb 0.32 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1ddb h ASN 188 CO -0.24 0.19 -0.10 0.25 -1.29 0.00 0.00 177.43 176.23 1ddb h LEU 189 N 0.53 -0.31 -0.46 1.61 5.85 -0.31 0.25 115.31 122.47 1ddb h LEU 189 Ca 0.38 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.17 1ddb h LEU 189 Cb 0.49 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1ddb h LEU 189 CO -0.33 -0.14 0.30 1.62 -0.34 0.00 0.00 178.44 179.55 1ddb h VAL 190 N -0.14 1.10 -0.27 1.05 3.04 0.46 -1.50 116.25 119.99 1ddb h VAL 190 Ca 0.07 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.60 1ddb h VAL 190 Cb 0.23 0.44 -0.05 0.00 -2.01 0.00 0.00 31.29 29.90 1ddb h VAL 190 CO -0.16 0.11 -0.08 0.03 -1.01 0.00 0.00 177.57 176.46 1ddb h ARG 191 N 0.60 -0.02 -0.54 4.17 2.47 0.71 -1.42 114.38 120.36 1ddb h ARG 191 Ca 0.17 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.98 1ddb h ARG 191 Cb -0.05 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.21 1ddb h ARG 191 CO -0.05 -0.01 0.18 -0.91 0.56 0.00 0.00 179.97 179.74 1ddb h ASN 192 N -0.02 0.16 -6.51 7.04 4.21 -0.08 -3.46 115.58 116.92 1ddb h ASN 192 Ca 0.13 0.07 -0.50 0.00 1.21 0.00 0.00 56.30 57.21 1ddb h ASN 192 Cb 0.22 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1ddb h ASN 192 CO -0.29 0.11 -0.94 1.21 -1.29 0.00 0.00 177.43 176.24 1ddb n GLU 193 N -5.03 -1.72 -3.80 0.81 0.00 -0.54 -0.16 120.64 110.20 1ddb n GLU 193 Ca 0.07 0.34 -0.31 0.00 0.00 0.00 0.00 57.16 57.25 1ddb n GLU 193 Cb 0.24 -3.92 -0.06 0.00 0.00 0.00 0.00 31.44 27.70 1ddb n GLU 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ddb n MET 194 N -4.45 -1.01 0.00 5.31 0.00 -1.26 -5.13 117.12 110.58 1ddb n MET 194 Ca -0.19 0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1ddb n MET 194 Cb 0.63 -3.91 0.00 0.00 0.00 0.00 0.00 33.22 29.94 1ddb n MET 194 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72