#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 0.00 -3.65 7.83 5.75 -1.26 -5.19 116.55 120.04 1ddb n ASP 2 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1ddb n ASP 2 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1ddb n ASP 2 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ddb s SER 3 N 0.00 -0.02 -0.21 -1.12 0.15 -1.26 -5.18 113.70 106.06 1ddb s SER 3 Ca 0.00 0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 1ddb s SER 3 Cb 0.00 0.02 0.14 0.00 -1.71 0.00 0.00 66.02 64.48 1ddb s SER 3 CO 0.00 -0.02 1.10 -1.83 1.20 0.00 0.00 173.24 173.70 1ddb s GLU 4 N -0.79 0.44 -0.25 5.44 -1.05 -1.26 -5.18 118.70 116.05 1ddb s GLU 4 Ca 0.09 0.16 -0.27 0.00 -0.15 0.00 0.00 54.97 54.79 1ddb s GLU 4 Cb -0.02 0.21 0.15 0.00 -0.44 0.00 0.00 34.13 34.03 1ddb s GLU 4 CO -0.10 -0.13 1.18 0.54 0.95 0.00 0.00 175.26 177.71 1ddb s VAL 5 N -0.91 0.00 0.19 1.83 0.11 -1.26 -5.18 120.40 115.19 1ddb s VAL 5 Ca 0.02 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 1ddb s VAL 5 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1ddb s VAL 5 CO -0.02 0.00 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.28 1ddb s SER 6 N -0.49 4.55 0.06 3.54 0.01 -1.26 -5.11 113.70 115.01 1ddb s SER 6 Ca 0.04 -0.50 -0.27 0.00 1.31 0.00 0.00 55.95 56.53 1ddb s SER 6 Cb -0.03 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.26 1ddb s SER 6 CO -0.06 0.08 0.83 0.54 0.41 0.00 0.00 173.24 175.04 1ddb s ASN 7 N -3.02 7.30 0.00 2.44 2.20 -1.26 -5.06 114.94 117.54 1ddb s ASN 7 Ca 0.27 1.56 0.00 0.00 -0.94 0.00 0.00 52.86 53.75 1ddb s ASN 7 Cb -0.09 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 36.66 1ddb s ASN 7 CO 0.18 -0.03 0.00 0.61 -2.94 0.00 0.00 177.10 174.92 1ddb n GLY 8 N 2.40 2.33 2.80 0.45 0.00 -1.26 -5.13 105.19 106.78 1ddb n GLY 8 Ca -0.01 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 1ddb n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 9 N -0.97 1.62 0.00 1.61 1.04 -1.26 -5.12 113.70 110.62 1ddb s SER 9 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1ddb s SER 9 Cb 0.00 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1ddb s SER 9 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1ddb n GLY 10 N 5.02 -2.70 0.00 7.32 0.00 -1.26 -5.09 105.19 108.48 1ddb n GLY 10 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ddb n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ddb n LEU 11 N 0.00 0.00 -3.71 0.99 4.77 -1.26 -5.01 117.00 112.78 1ddb n LEU 11 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1ddb n LEU 11 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ddb n LEU 11 CO 0.00 0.00 2.70 0.61 -1.33 0.00 0.00 177.39 179.37 1ddb n GLY 12 N -0.79 4.43 3.15 -0.72 0.00 -1.26 -4.71 105.19 105.29 1ddb n GLY 12 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.46 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 3.03 -2.72 -0.00 4.61 0.00 -1.26 -5.02 121.76 120.40 1ddb s ALA 13 Ca 0.48 1.66 0.18 0.00 0.00 0.00 0.00 51.96 54.27 1ddb s ALA 13 Cb 0.14 -2.32 0.30 0.00 0.00 0.00 0.00 23.12 21.24 1ddb s ALA 13 CO -0.08 -1.42 1.12 0.36 0.00 0.00 0.00 175.76 175.73 1ddb n LYS 14 N 5.44 0.01 -0.01 0.00 -0.00 -1.26 -4.91 118.16 117.42 1ddb n LYS 14 Ca -0.02 -1.69 -0.11 0.00 -0.00 0.00 0.00 58.31 56.48 1ddb n LYS 14 Cb 0.52 0.15 -0.06 0.00 -0.00 0.00 0.00 35.03 35.65 1ddb n LYS 14 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1ddb h HIS 15 N 0.70 0.15 -0.98 5.58 2.07 -1.96 -2.04 115.15 118.67 1ddb h HIS 15 Ca -0.33 -0.00 0.18 0.00 -2.85 0.00 0.00 60.37 57.36 1ddb h HIS 15 Cb 1.75 -0.05 -0.09 0.00 2.57 0.00 0.00 27.41 31.59 1ddb h HIS 15 CO 0.07 0.17 0.61 0.82 -3.07 0.00 0.00 177.93 176.53 1ddb h ILE 16 N 0.08 0.75 0.44 6.12 1.08 -1.93 -1.80 117.51 122.25 1ddb h ILE 16 Ca 0.04 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1ddb h ILE 16 Cb 0.07 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.77 1ddb h ILE 16 CO -0.01 0.13 -0.39 0.74 -0.69 0.00 0.00 178.15 177.93 1ddb h THR 17 N 0.72 0.00 -1.12 -0.27 2.02 -1.65 -1.26 112.91 111.36 1ddb h THR 17 Ca 0.53 0.00 0.32 0.00 0.77 0.00 0.00 66.41 68.03 1ddb h THR 17 Cb 0.88 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.18 1ddb h THR 17 CO -0.30 0.00 0.72 -0.78 0.37 0.00 0.00 175.52 175.52 1ddb h ASP 18 N -0.82 0.39 -0.16 4.18 3.58 -1.06 2.24 116.42 124.76 1ddb h ASP 18 Ca -0.06 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 1ddb h ASP 18 Cb 0.70 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1ddb h ASP 18 CO -0.02 -0.01 0.03 0.25 -2.88 0.00 0.00 179.24 176.60 1ddb h LEU 19 N 0.29 0.33 -0.58 2.28 7.12 -0.49 -1.56 115.31 122.71 1ddb h LEU 19 Ca 0.67 -0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.57 1ddb h LEU 19 Cb 1.84 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.86 1ddb h LEU 19 CO -0.35 0.37 0.08 0.25 -0.13 0.00 0.00 178.44 178.67 1ddb h LEU 20 N 0.36 0.93 0.82 2.25 7.12 0.48 1.58 115.31 128.85 1ddb h LEU 20 Ca 0.09 -0.27 -0.04 0.00 0.13 0.00 0.00 57.88 57.79 1ddb h LEU 20 Cb 0.20 -0.25 0.01 0.00 -0.53 0.00 0.00 40.66 40.09 1ddb h LEU 20 CO 0.00 0.96 -0.40 1.62 -0.13 0.00 0.00 178.44 180.49 1ddb h VAL 21 N 0.87 0.00 0.00 1.05 3.04 -0.79 1.76 116.25 122.18 1ddb h VAL 21 Ca 0.18 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.82 1ddb h VAL 21 Cb 0.43 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1ddb h VAL 21 CO 0.01 0.00 -0.22 0.15 -1.01 0.00 0.00 177.57 176.50 1ddb h PHE 22 N -1.11 0.00 -0.02 3.17 3.04 -1.36 -2.74 116.94 117.92 1ddb h PHE 22 Ca -0.11 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.62 1ddb h PHE 22 Cb 0.86 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.38 1ddb h PHE 22 CO 0.03 0.22 -0.82 0.78 -2.02 0.00 0.00 178.31 176.50 1ddb h GLY 23 N 1.01 0.65 0.60 2.40 0.00 0.26 -2.84 103.07 105.15 1ddb h GLY 23 Ca -0.00 -1.11 0.02 0.00 0.00 0.00 0.00 47.33 46.24 1ddb h GLY 23 CO 0.03 0.99 -0.19 -2.75 0.00 0.00 0.00 176.54 174.61 1ddb h PHE 24 N 0.20 -0.51 -0.66 5.60 3.04 0.30 -0.65 116.94 124.26 1ddb h PHE 24 Ca -0.10 0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.93 1ddb h PHE 24 Cb 1.49 0.22 -0.06 0.00 2.56 0.00 0.00 35.95 40.17 1ddb h PHE 24 CO 0.12 -0.28 0.36 1.25 -2.02 0.00 0.00 178.31 177.74 1ddb h LEU 25 N -0.34 0.52 -1.53 0.59 5.85 -1.60 0.39 115.31 119.19 1ddb h LEU 25 Ca 0.04 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1ddb h LEU 25 Cb 0.39 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1ddb h LEU 25 CO -0.15 0.33 0.46 0.06 -0.34 0.00 0.00 178.44 178.81 1ddb h GLN 26 N 0.66 0.51 0.00 1.25 -0.00 -1.12 1.55 115.11 117.95 1ddb h GLN 26 Ca 0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1ddb h GLN 26 Cb 0.21 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 1ddb h GLN 26 CO -0.19 0.34 0.00 0.45 -0.00 0.00 0.00 178.83 179.42 1ddb n SER 27 N -4.48 0.00 -2.70 0.06 2.88 0.09 -4.63 113.62 104.84 1ddb n SER 27 Ca 0.12 0.72 -0.07 0.00 -1.33 0.00 0.00 58.87 58.30 1ddb n SER 27 Cb 0.38 -0.30 0.05 0.00 -0.75 0.00 0.00 64.21 63.59 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ddb n SER 28 N -1.39 0.97 -0.12 -3.46 2.88 -0.99 -4.73 113.62 106.78 1ddb n SER 28 Ca 0.00 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 1ddb n SER 28 Cb 0.00 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.27 1.27 0.00 0.46 0.00 0.53 -4.78 105.19 102.40 1ddb n GLY 29 Ca 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.11 0.00 0.15 0.00 -4.23 -1.26 -5.01 115.64 105.41 1ddb s THR 31 Ca 0.00 -1.74 -0.24 0.00 -1.18 0.00 0.00 61.69 58.53 1ddb s THR 31 Cb 0.00 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1ddb s THR 31 CO 0.00 0.00 1.60 0.03 -0.54 0.00 0.00 174.62 175.71 1ddb h ARG 32 N 2.32 -0.29 -0.84 3.99 2.47 -1.99 0.50 114.38 120.54 1ddb h ARG 32 Ca -0.30 0.02 0.24 0.00 -1.26 0.00 0.00 59.98 58.69 1ddb h ARG 32 Cb 1.24 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.60 1ddb h ARG 32 CO 0.42 -0.19 0.63 0.37 0.56 0.00 0.00 179.97 181.76 1ddb h GLN 33 N -0.30 0.00 0.53 0.04 4.15 -2.00 -0.92 115.11 116.61 1ddb h GLN 33 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1ddb h GLN 33 Cb 0.54 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.23 1ddb h GLN 33 CO -0.47 0.00 -0.25 1.49 -1.93 0.00 0.00 178.83 177.66 1ddb h GLU 34 N 0.00 -0.68 -1.21 1.69 4.57 -0.43 -2.14 114.58 116.37 1ddb h GLU 34 Ca 0.40 0.05 0.37 0.00 -1.18 0.00 0.00 59.36 58.99 1ddb h GLU 34 Cb 1.65 0.15 -0.11 0.00 -0.16 0.00 0.00 28.75 30.29 1ddb h GLU 34 CO -0.00 -0.40 0.79 -0.07 -1.18 0.00 0.00 179.01 178.15 1ddb h LEU 35 N -1.10 0.30 0.03 1.64 4.07 -0.37 0.79 115.31 120.67 1ddb h LEU 35 Ca -0.07 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 1ddb h LEU 35 Cb 0.60 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1ddb h LEU 35 CO 0.12 -0.06 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.32 1ddb h GLU 36 N 0.20 -0.05 0.72 1.13 4.81 -1.28 4.40 114.58 124.52 1ddb h GLU 36 Ca 0.72 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.91 1ddb h GLU 36 Cb 2.16 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.55 1ddb h GLU 36 CO -0.34 0.27 -0.35 0.28 -0.73 0.00 0.00 179.01 178.15 1ddb h VAL 37 N -0.36 0.13 0.04 0.32 2.07 0.85 1.16 116.25 120.45 1ddb h VAL 37 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1ddb h VAL 37 Cb 0.34 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1ddb h VAL 37 CO 0.01 0.01 -0.02 -0.07 0.02 0.00 0.00 177.57 177.52 1ddb h LEU 38 N -1.18 -0.04 0.21 2.57 3.38 0.18 -3.25 115.31 117.18 1ddb h LEU 38 Ca -0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1ddb h LEU 38 Cb 0.77 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ddb h LEU 38 CO 0.16 0.31 -0.26 1.23 0.09 0.00 0.00 178.44 179.97 1ddb h GLY 39 N -0.40 -0.55 -7.54 0.83 0.00 0.86 -3.30 103.07 92.97 1ddb h GLY 39 Ca -0.00 0.30 -0.68 0.00 0.00 0.00 0.00 47.33 46.95 1ddb h GLY 39 CO 0.01 -0.23 1.50 -1.60 0.00 0.00 0.00 176.54 176.21 1ddb s ARG 40 N -6.06 3.82 -0.03 4.80 3.00 0.40 -4.89 118.95 119.98 1ddb s ARG 40 Ca -0.16 -1.86 0.01 0.00 -1.00 0.00 0.00 55.73 52.72 1ddb s ARG 40 Cb 0.07 -5.23 0.02 0.00 0.00 0.00 0.00 34.95 29.81 1ddb s ARG 40 CO 0.65 -2.01 -0.04 -1.83 0.00 0.00 0.00 175.30 172.06 1ddb s GLU 41 N 3.41 0.69 -0.44 5.12 4.04 -1.24 -4.62 118.70 125.65 1ddb s GLU 41 Ca 0.44 -0.10 -0.13 0.00 0.04 0.00 0.00 54.97 55.21 1ddb s GLU 41 Cb -0.01 -0.71 0.06 0.00 0.02 0.00 0.00 34.13 33.49 1ddb s GLU 41 CO -0.03 -0.04 0.33 -0.51 -1.84 0.00 0.00 175.26 173.17 1ddb s LEU 42 N 0.71 5.35 -0.77 1.83 2.01 -1.26 -4.96 118.68 121.59 1ddb s LEU 42 Ca -0.09 -1.28 -0.06 0.00 0.01 0.00 0.00 54.13 52.71 1ddb s LEU 42 Cb -0.12 -2.12 -0.12 0.00 0.01 0.00 0.00 46.19 43.84 1ddb s LEU 42 CO -0.00 -0.57 2.62 -0.81 1.01 0.00 0.00 176.35 178.60 1ddb n PRO 43 N 5.11 2.31 -0.37 1.29 -0.04 -1.26 -4.67 135.00 137.38 1ddb n PRO 43 Ca -0.12 -1.40 -0.11 0.00 -0.04 0.00 0.00 63.50 61.84 1ddb n PRO 43 Cb 0.44 -2.33 -0.09 0.00 -0.04 0.00 0.00 33.50 31.48 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 2.88 0.00 -1.20 0.52 2.07 -2.07 -3.47 116.25 114.98 1ddb h VAL 44 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 1ddb h VAL 44 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ddb h VAL 44 CO 1.11 0.00 -0.29 1.67 0.02 0.00 0.00 177.57 180.08 1ddb n GLN 45 N -5.29 -1.48 -2.48 1.57 7.27 -1.26 -5.03 117.38 110.67 1ddb n GLN 45 Ca 0.02 1.10 -0.03 0.00 0.07 0.00 0.00 57.00 58.16 1ddb n GLN 45 Cb 0.29 -1.23 0.10 0.00 2.41 0.00 0.00 30.24 31.81 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 -0.80 1.58 -0.72 1.69 0.00 -1.26 -5.14 120.51 115.86 1ddb n ALA 46 Ca 0.00 -0.86 -0.23 0.00 0.00 0.00 0.00 53.44 52.35 1ddb n ALA 46 Cb 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N -1.10 -1.07 0.00 0.00 4.19 -1.26 -4.65 117.16 113.27 1ddb n TYR 47 Ca -0.13 0.36 0.00 0.00 3.31 0.00 0.00 57.90 61.44 1ddb n TYR 47 Cb 0.80 -0.99 0.00 0.00 0.49 0.00 0.00 39.34 39.64 1ddb n TYR 47 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1ddb n TRP 48 N -0.50 0.00 0.00 2.98 7.02 -1.26 -5.15 117.44 120.53 1ddb n TRP 48 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1ddb n TRP 48 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1ddb n TRP 48 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1ddb n GLU 49 N 0.00 0.00 -1.47 -0.99 0.28 -1.26 -4.94 120.64 112.26 1ddb n GLU 49 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1ddb n GLU 49 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ddb n ALA 50 N 1.97 -2.28 0.00 -1.84 0.00 -1.26 -5.04 120.51 112.07 1ddb n ALA 50 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1ddb n ALA 50 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ddb n ASP 51 N -2.94 0.00 -3.21 0.00 5.75 -1.26 -5.14 116.55 109.75 1ddb n ASP 51 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.43 1ddb n ASP 51 Cb 0.51 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ddb n LEU 52 N 0.00 -1.62 -4.00 -2.12 7.94 -1.26 -4.96 117.00 110.98 1ddb n LEU 52 Ca 0.00 0.70 -0.11 0.00 -1.11 0.00 0.00 56.01 55.49 1ddb n LEU 52 Cb 0.00 -0.67 -0.11 0.00 0.53 0.00 0.00 43.42 43.16 1ddb n LEU 52 CO 0.00 -2.73 -0.37 -0.70 -1.11 0.00 0.00 177.39 172.48 1ddb s GLU 53 N -0.74 0.36 0.18 1.96 -6.30 -1.26 -5.16 118.70 107.74 1ddb s GLU 53 Ca 0.45 -0.61 0.01 0.00 -2.50 0.00 0.00 54.97 52.32 1ddb s GLU 53 Cb -0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 34.13 33.48 1ddb s GLU 53 CO 0.44 -0.01 0.05 0.34 0.02 0.00 0.00 175.26 176.10 1ddb s ASP 54 N -1.36 0.84 -0.29 -1.70 2.15 -1.26 -5.17 116.67 109.88 1ddb s ASP 54 Ca -0.13 -1.24 -0.27 0.00 0.43 0.00 0.00 52.55 51.35 1ddb s ASP 54 Cb -0.09 0.20 0.19 0.00 -0.30 0.00 0.00 42.92 42.93 1ddb s ASP 54 CO -0.00 -0.67 1.43 -0.70 -0.17 0.00 0.00 175.17 175.05 1ddb s GLU 55 N -4.00 0.04 -0.42 4.34 2.12 -1.26 -5.12 118.70 114.40 1ddb s GLU 55 Ca 0.28 0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.71 1ddb s GLU 55 Cb 0.07 0.02 0.17 0.00 0.26 0.00 0.00 34.13 34.65 1ddb s GLU 55 CO 0.06 -0.01 0.56 -0.48 -0.54 0.00 0.00 175.26 174.85 1ddb s LEU 56 N -0.38 -0.99 0.11 2.70 0.05 -1.26 -5.14 118.68 113.77 1ddb s LEU 56 Ca 0.08 -1.25 -0.25 0.00 0.05 0.00 0.00 54.13 52.76 1ddb s LEU 56 Cb -0.03 1.47 0.08 0.00 -2.05 0.00 0.00 46.19 45.66 1ddb s LEU 56 CO -0.13 -0.18 1.12 0.00 -0.55 0.00 0.00 176.35 176.62 1ddb s GLN 57 N 1.50 0.97 0.52 1.48 -2.07 -1.26 -5.17 119.66 115.63 1ddb s GLN 57 Ca 0.19 -0.61 -0.06 0.00 -1.82 0.00 0.00 55.36 53.06 1ddb s GLN 57 Cb -0.06 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 1ddb s GLN 57 CO -0.06 -0.45 0.83 -0.08 -1.32 0.00 0.00 175.29 174.21 1ddb s THR 58 N -2.24 4.57 0.22 3.63 -1.32 -1.26 -5.09 115.64 114.16 1ddb s THR 58 Ca 0.22 0.19 -0.22 0.00 -1.21 0.00 0.00 61.69 60.67 1ddb s THR 58 Cb -0.01 -3.76 0.05 0.00 -1.51 0.00 0.00 72.50 67.27 1ddb s THR 58 CO 0.03 -0.77 0.89 -1.81 -2.21 0.00 0.00 174.62 170.75 1ddb s ASP 59 N -4.16 -0.14 0.36 8.08 1.11 -1.26 -5.19 116.67 115.46 1ddb s ASP 59 Ca 0.50 -0.60 -0.03 0.00 0.18 0.00 0.00 52.55 52.59 1ddb s ASP 59 Cb -0.10 0.60 0.01 0.00 1.07 0.00 0.00 42.92 44.50 1ddb s ASP 59 CO 0.46 -1.14 0.51 -0.83 1.18 0.00 0.00 175.17 175.34 1ddb s GLY 60 N -3.03 1.49 0.38 0.21 0.00 -1.26 -5.19 107.32 99.92 1ddb s GLY 60 Ca 0.14 -1.51 0.04 0.00 0.00 0.00 0.00 44.72 43.39 1ddb s GLY 60 CO 0.05 -0.97 0.12 -0.45 0.00 0.00 0.00 173.10 171.85 1ddb s SER 61 N -3.24 2.57 0.00 1.64 0.15 -1.26 -5.12 113.70 108.43 1ddb s SER 61 Ca 0.30 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1ddb s SER 61 Cb -0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1ddb s SER 61 CO 0.21 -0.86 0.00 0.00 1.20 0.00 0.00 173.24 173.79 1ddb n GLN 62 N -0.83 0.00 -3.14 5.44 6.02 -1.26 -5.17 117.38 118.44 1ddb n GLN 62 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.93 1ddb n GLN 62 Cb 0.65 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.93 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddb n ALA 63 N -1.54 -1.93 -2.89 -1.58 0.00 -1.26 -5.19 120.51 106.11 1ddb n ALA 63 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 1ddb n ALA 63 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 1ddb n ALA 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ddb s SER 64 N -2.72 -0.03 0.09 0.00 0.01 -1.26 -5.18 113.70 104.61 1ddb s SER 64 Ca 0.16 -0.84 -0.16 0.00 1.31 0.00 0.00 55.95 56.42 1ddb s SER 64 Cb -0.02 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.74 1ddb s SER 64 CO 0.03 -0.97 0.39 0.00 0.41 0.00 0.00 173.24 173.10 1ddb s ARG 65 N -3.97 0.99 0.69 12.44 3.03 -1.26 -5.14 118.95 125.73 1ddb s ARG 65 Ca 0.18 -0.57 -0.15 0.00 2.03 0.00 0.00 55.73 57.22 1ddb s ARG 65 Cb 0.02 0.44 -0.13 0.00 -1.03 0.00 0.00 34.95 34.24 1ddb s ARG 65 CO 0.02 -0.36 -0.46 0.43 -1.13 0.00 0.00 175.30 173.80 1ddb n SER 66 N 0.10 -4.44 -0.11 -2.89 7.64 -1.26 -4.94 113.62 107.72 1ddb n SER 66 Ca -0.17 0.34 -0.23 0.00 1.01 0.00 0.00 58.87 59.82 1ddb n SER 66 Cb 0.62 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 1ddb n SER 66 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1ddb n PHE 67 N -1.83 0.00 -1.27 1.43 -1.74 -1.26 -5.13 117.46 107.66 1ddb n PHE 67 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.91 1ddb n PHE 67 Cb 0.46 -0.81 0.00 0.00 1.52 0.00 0.00 39.48 40.65 1ddb n PHE 67 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1ddb n ASN 68 N -3.92 0.00 0.00 5.98 6.94 -1.26 -5.14 115.26 117.86 1ddb n ASN 68 Ca -0.44 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 1ddb n ASN 68 Cb 0.82 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.24 1ddb n ASN 68 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ddb n GLN 69 N -0.50 0.00 0.00 -3.83 6.02 -1.26 -5.18 117.38 112.63 1ddb n GLN 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ddb n GLN 69 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1ddb n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ddb n GLY 70 N 4.57 3.04 1.96 1.08 0.00 -1.26 -5.11 105.19 109.48 1ddb n GLY 70 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 1ddb n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddb n ARG 71 N -1.06 0.91 -4.12 1.61 5.12 -1.26 -5.18 116.66 112.68 1ddb n ARG 71 Ca 0.00 -2.01 -0.10 0.00 -1.93 0.00 0.00 57.85 53.81 1ddb n ARG 71 Cb 0.00 0.92 -0.09 0.00 -1.16 0.00 0.00 32.46 32.12 1ddb n ARG 71 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1ddb s ILE 72 N -2.30 0.08 -0.31 0.55 2.07 -1.26 -4.78 121.20 115.25 1ddb s ILE 72 Ca 0.08 -1.82 -0.00 0.00 -1.41 0.00 0.00 60.65 57.50 1ddb s ILE 72 Cb 0.00 -2.06 0.14 0.00 0.13 0.00 0.00 42.46 40.67 1ddb s ILE 72 CO 0.06 -0.38 0.30 -0.70 -1.91 0.00 0.00 174.94 172.31 1ddb s GLU 73 N -4.04 0.37 0.00 3.50 2.56 -1.26 -5.13 118.70 114.70 1ddb s GLU 73 Ca 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.97 54.89 1ddb s GLU 73 Cb 0.07 -0.72 0.00 0.00 2.00 0.00 0.00 34.13 35.48 1ddb s GLU 73 CO 0.03 -1.06 0.00 -0.35 -0.56 0.00 0.00 175.26 173.31 1ddb n PRO 74 N 5.09 0.64 0.00 4.30 -0.04 -1.26 -4.99 135.00 138.74 1ddb n PRO 74 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ddb n PRO 74 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1ddb n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ddb n ASP 75 N -0.72 -0.36 -1.67 3.54 2.03 -1.26 -5.12 116.55 112.99 1ddb n ASP 75 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1ddb n ASP 75 Cb 0.00 0.88 -0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1ddb n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ddb n SER 76 N -1.15 -0.57 -0.43 1.67 7.64 -1.26 -4.99 113.62 114.52 1ddb n SER 76 Ca 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1ddb n SER 76 Cb 0.00 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 1ddb n SER 76 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ddb n GLU 77 N -0.20 0.00 -3.92 1.43 1.02 -1.26 -5.12 120.64 112.59 1ddb n GLU 77 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1ddb n GLU 77 Cb 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.61 1ddb n GLU 77 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ddb s SER 78 N 0.70 0.17 0.00 1.62 0.01 -1.26 -5.02 113.70 109.92 1ddb s SER 78 Ca 0.00 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1ddb s SER 78 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 1ddb s SER 78 CO 0.00 -1.45 0.00 0.00 0.41 0.00 0.00 173.24 172.20 1ddb n GLN 79 N -0.50 0.00 -4.77 12.44 1.13 -1.26 -5.14 117.38 119.27 1ddb n GLN 79 Ca -0.04 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.76 1ddb n GLN 79 Cb 0.60 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.79 1ddb n GLN 79 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1ddb s GLU 80 N -1.00 1.78 0.00 -1.09 8.01 -1.26 -5.05 118.70 120.09 1ddb s GLU 80 Ca 0.00 -0.56 0.00 0.00 0.01 0.00 0.00 54.97 54.42 1ddb s GLU 80 Cb 0.00 -1.52 0.00 0.00 -4.31 0.00 0.00 34.13 28.30 1ddb s GLU 80 CO 0.00 0.19 0.00 0.39 0.01 0.00 0.00 175.26 175.85 1ddb n GLU 81 N 3.31 -3.67 0.00 1.61 -0.58 -1.26 -4.74 120.64 115.31 1ddb n GLU 81 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1ddb n GLU 81 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1ddb n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1ddb n ILE 82 N -1.00 0.00 -0.24 -3.67 2.08 -1.26 -4.28 119.36 110.99 1ddb n ILE 82 Ca 0.00 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.25 1ddb n ILE 82 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 38.94 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1ddb h ILE 83 N 0.00 1.21 -0.68 1.39 1.08 -2.00 -1.73 117.51 116.78 1ddb h ILE 83 Ca 0.00 -0.50 -0.04 0.00 -0.39 0.00 0.00 64.86 63.94 1ddb h ILE 83 Cb 0.00 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.03 1ddb h ILE 83 CO 0.00 0.22 0.27 0.45 -0.69 0.00 0.00 178.15 178.40 1ddb h HIS 84 N 0.92 1.01 0.06 1.37 3.86 -1.95 -0.81 115.15 119.61 1ddb h HIS 84 Ca 0.24 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1ddb h HIS 84 Cb 0.02 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1ddb h HIS 84 CO -0.01 0.77 -0.15 -0.97 0.86 0.00 0.00 177.93 178.43 1ddb h ASN 85 N 0.98 -0.44 0.03 2.45 -1.24 -1.53 -0.38 115.58 115.46 1ddb h ASN 85 Ca 0.23 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 1ddb h ASN 85 Cb 0.19 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.41 1ddb h ASN 85 CO -0.02 -0.22 -0.05 0.16 -1.29 0.00 0.00 177.43 176.01 1ddb h ILE 86 N -0.29 1.06 -0.12 2.57 3.07 -1.03 -1.81 117.51 120.96 1ddb h ILE 86 Ca 0.03 -0.25 0.04 0.00 1.55 0.00 0.00 64.86 66.23 1ddb h ILE 86 Cb 0.32 1.08 -0.04 0.00 -0.27 0.00 0.00 36.82 37.91 1ddb h ILE 86 CO -0.11 0.08 -0.12 0.00 -1.05 0.00 0.00 178.15 176.95 1ddb h ALA 87 N 1.91 -0.03 -0.36 0.16 0.00 0.39 -0.54 119.26 120.79 1ddb h ALA 87 Ca 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ddb h ALA 87 Cb 0.12 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ddb h ALA 87 CO 0.01 -0.57 0.08 0.00 0.00 0.00 0.00 179.25 178.77 1ddb h ARG 88 N -0.14 0.59 -0.12 0.00 3.08 -0.72 -1.81 114.38 115.26 1ddb h ARG 88 Ca 0.08 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1ddb h ARG 88 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ddb h ARG 88 CO -0.21 0.63 0.31 1.25 -1.07 0.00 0.00 179.97 180.89 1ddb h HIS 89 N 0.44 0.00 0.24 3.04 2.76 -0.78 -2.06 115.15 118.78 1ddb h HIS 89 Ca 0.11 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1ddb h HIS 89 Cb 0.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 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 -0.53 -0.03 0.26 5.85 -0.20 0.49 115.31 121.15 1ddb h LEU 90 Ca 0.06 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ddb h LEU 90 Cb 0.68 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1ddb h LEU 90 CO -0.00 -0.28 -0.32 0.00 -0.34 0.00 0.00 178.44 177.50 1ddb h ALA 91 N -1.48 -0.45 -0.88 1.25 0.00 -1.50 0.26 119.26 116.46 1ddb h ALA 91 Ca -0.03 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.13 1ddb h ALA 91 Cb 0.36 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1ddb h ALA 91 CO -0.00 -0.83 0.70 1.96 0.00 0.00 0.00 179.25 181.07 1ddb h GLN 92 N -0.46 0.00 -0.05 0.00 4.20 -1.39 1.45 115.11 118.86 1ddb h GLN 92 Ca 0.07 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 1ddb h GLN 92 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1ddb h GLN 92 CO -0.28 0.00 -0.64 0.82 -0.67 0.00 0.00 178.83 178.06 1ddb h ILE 93 N 0.00 1.41 0.15 2.54 2.04 0.35 -1.98 117.51 122.01 1ddb h ILE 93 Ca 0.42 -2.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 1ddb h ILE 93 Cb 1.80 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1ddb h ILE 93 CO -0.00 0.61 -0.09 1.23 0.00 0.00 0.00 178.15 179.89 1ddb h GLY 94 N 1.59 -0.23 0.76 5.37 0.00 0.29 2.63 103.07 113.47 1ddb h GLY 94 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1ddb h GLY 94 CO 0.10 -0.09 -0.07 -1.80 0.00 0.00 0.00 176.54 174.67 1ddb h ASP 95 N -0.23 -0.16 -0.81 0.19 3.58 -1.50 -2.59 116.42 114.89 1ddb h ASP 95 Ca -0.01 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 1ddb h ASP 95 Cb 0.19 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1ddb h ASP 95 CO 0.02 0.10 0.45 -0.08 -2.88 0.00 0.00 179.24 176.84 1ddb h GLU 96 N -0.43 1.13 -0.40 0.28 4.57 -1.26 -2.72 114.58 115.74 1ddb h GLU 96 Ca -0.02 -0.13 0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1ddb h GLU 96 Cb 0.34 -0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 28.63 1ddb h GLU 96 CO 0.03 0.83 -0.13 0.52 -1.18 0.00 0.00 179.01 179.08 1ddb h MET 97 N 1.14 -0.04 -1.29 1.92 2.86 0.48 0.30 114.93 120.29 1ddb h MET 97 Ca 0.29 0.00 0.37 0.00 -2.06 0.00 0.00 59.70 58.30 1ddb h MET 97 Cb 0.02 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1ddb h MET 97 CO -0.05 -0.03 1.22 0.22 1.06 0.00 0.00 176.91 179.33 1ddb h ASP 98 N -0.04 0.00 -0.33 1.22 1.82 -1.13 1.56 116.42 119.53 1ddb h ASP 98 Ca 0.20 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.87 1ddb h ASP 98 Cb 0.34 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1ddb h ASP 98 CO -0.44 0.00 0.12 -0.74 -1.61 0.00 0.00 179.24 176.57 1ddb h HIS 99 N 0.00 0.22 -2.23 0.28 2.76 -0.52 -3.36 115.15 112.30 1ddb h HIS 99 Ca 0.61 0.02 -0.51 0.00 -2.20 0.00 0.00 60.37 58.28 1ddb h HIS 99 Cb 3.04 -0.05 -0.35 0.00 1.55 0.00 0.00 27.41 31.60 1ddb h HIS 99 CO 0.00 0.10 -0.86 -0.80 -1.30 0.00 0.00 177.93 175.07 1ddb s ASN 100 N -5.36 1.52 -0.34 3.26 -0.87 0.53 -5.05 114.94 108.64 1ddb s ASN 100 Ca -0.13 -2.49 -0.01 0.00 -1.57 0.00 0.00 52.86 48.66 1ddb s ASN 100 Cb 0.11 -0.06 0.13 0.00 -0.02 0.00 0.00 41.25 41.41 1ddb s ASN 100 CO 0.71 -0.21 0.20 -0.51 -2.57 0.00 0.00 177.10 174.72 1ddb s ILE 101 N 0.61 0.05 0.00 0.60 -1.16 -1.05 -4.90 121.20 115.36 1ddb s ILE 101 Ca 0.26 -1.42 0.00 0.00 -0.51 0.00 0.00 60.65 58.98 1ddb s ILE 101 Cb -0.07 -1.06 0.00 0.00 0.61 0.00 0.00 42.46 41.95 1ddb s ILE 101 CO -0.10 -0.90 0.00 0.00 -2.81 0.00 0.00 174.94 171.13 1ddb n GLN 102 N 4.37 0.00 0.00 3.50 6.02 -1.26 -4.66 117.38 125.35 1ddb n GLN 102 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1ddb n GLN 102 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 1ddb n GLN 102 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1ddb n PRO 103 N 0.00 0.75 0.00 -1.09 -0.04 -1.26 -4.02 135.00 129.34 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 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1ddb n PRO 103 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ddb n THR 104 N -0.31 0.00 0.00 0.52 5.66 -1.26 -4.92 114.28 113.97 1ddb n THR 104 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ddb n THR 104 Cb 0.06 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1ddb n THR 104 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1ddb n LEU 105 N 0.00 0.00 0.00 1.09 0.00 -1.26 -5.03 117.00 111.81 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 0.17 0.52 0.00 0.00 0.00 177.39 178.08 1ddb n VAL 106 N -0.41 0.00 -0.18 1.96 0.31 -1.26 -0.68 118.33 118.06 1ddb n VAL 106 Ca 0.00 0.76 0.23 0.00 -0.01 0.00 0.00 64.34 65.32 1ddb n VAL 106 Cb 0.00 -1.58 0.62 0.00 -0.91 0.00 0.00 33.84 31.97 1ddb n VAL 106 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ddb h ARG 107 N 0.00 0.18 -0.29 5.55 2.43 -1.91 0.59 114.38 120.93 1ddb h ARG 107 Ca 0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1ddb h ARG 107 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1ddb h ARG 107 CO 0.00 0.12 0.02 1.96 -1.51 0.00 0.00 179.97 180.56 1ddb h GLN 108 N 0.18 0.44 0.88 0.20 1.08 -1.85 -2.19 115.11 113.84 1ddb h GLN 108 Ca 0.42 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.50 1ddb h GLN 108 Cb 1.37 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.74 1ddb h GLN 108 CO -0.08 0.45 -0.42 1.37 -0.95 0.00 0.00 178.83 179.20 1ddb h LEU 109 N 0.43 -1.00 -0.45 1.46 8.10 0.25 0.20 115.31 124.30 1ddb h LEU 109 Ca 0.10 0.03 0.07 0.00 0.11 0.00 0.00 57.88 58.19 1ddb h LEU 109 Cb 0.25 0.26 -0.09 0.00 -0.44 0.00 0.00 40.66 40.64 1ddb h LEU 109 CO 0.00 -0.65 -0.49 0.00 -4.11 0.00 0.00 178.44 173.20 1ddb h ALA 110 N -1.30 -0.55 0.00 0.17 0.00 -1.38 1.96 119.26 118.16 1ddb h ALA 110 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ddb h ALA 110 Cb 0.90 1.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ddb h ALA 110 CO 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.51 1ddb h ALA 111 N 0.28 1.00 -0.42 0.00 0.00 -1.37 -1.11 119.26 117.64 1ddb h ALA 111 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ddb h ALA 111 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ddb h ALA 111 CO -0.61 0.00 0.10 -0.56 0.00 0.00 0.00 179.25 178.18 1ddb h GLN 112 N 0.00 0.68 -0.77 0.00 3.07 0.64 -2.89 115.11 115.84 1ddb h GLN 112 Ca 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 58.65 58.53 1ddb h GLN 112 Cb 0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.45 1ddb h GLN 112 CO 0.00 0.69 0.30 0.27 0.09 0.00 0.00 178.83 180.18 1ddb h PHE 113 N 0.55 1.19 0.00 0.06 -5.15 -0.65 -3.30 116.94 109.63 1ddb h PHE 113 Ca 0.13 -0.10 -0.05 0.00 -0.20 0.00 0.00 57.97 57.76 1ddb h PHE 113 Cb 0.31 -0.35 0.00 0.00 0.22 0.00 0.00 35.95 36.13 1ddb h PHE 113 CO 0.02 0.91 1.17 -0.12 -2.00 0.00 0.00 178.31 178.29 1ddb n MET 114 N -4.29 0.26 -3.83 6.09 1.56 -1.09 -4.66 117.12 111.16 1ddb n MET 114 Ca 0.07 -0.60 -0.12 0.00 -0.27 0.00 0.00 57.70 56.78 1ddb n MET 114 Cb 0.19 -2.04 -0.10 0.00 2.15 0.00 0.00 33.22 33.43 1ddb n MET 114 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1ddb s ASN 115 N 4.72 -0.07 0.00 6.12 4.22 -1.25 -4.46 114.94 124.22 1ddb s ASN 115 Ca 0.05 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.71 1ddb s ASN 115 Cb 0.01 0.26 0.00 0.00 1.28 0.00 0.00 41.25 42.80 1ddb s ASN 115 CO -0.00 -0.38 0.00 0.61 -2.04 0.00 0.00 177.10 175.29 1ddb n GLY 116 N 1.48 -0.48 0.01 0.45 0.00 -1.26 -4.94 105.19 100.44 1ddb n GLY 116 Ca -0.22 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 1.63 0.00 1.61 2.88 -1.26 -4.73 113.62 113.75 1ddb n SER 117 Ca 0.00 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1ddb n SER 117 Cb 0.00 1.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1ddb n SER 117 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ddb n LEU 118 N -1.85 0.00 0.00 2.46 -0.00 -1.26 -4.89 117.00 111.46 1ddb n LEU 118 Ca -0.02 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 1ddb n LEU 118 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1ddb n LEU 118 CO 0.28 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.47 1ddb n SER 119 N -0.99 0.00 -0.86 1.96 7.64 -1.26 -4.97 113.62 115.13 1ddb n SER 119 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1ddb n SER 119 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ddb n SER 119 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ddb n GLU 120 N 0.00 0.07 -0.33 1.43 1.02 -1.26 -4.38 120.64 117.19 1ddb n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ddb n GLU 120 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ddb n GLU 121 N 0.82 0.00 -2.49 3.49 1.02 -1.26 -5.05 120.64 117.18 1ddb n GLU 121 Ca 0.00 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1ddb n GLU 121 Cb 0.03 -0.27 0.09 0.00 -0.02 0.00 0.00 31.44 31.27 1ddb n GLU 121 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ddb n ASP 122 N -0.06 -1.31 -3.09 1.62 9.92 -1.26 -4.98 116.55 117.39 1ddb n ASP 122 Ca 0.00 -2.03 0.00 0.00 -0.53 0.00 0.00 54.79 52.23 1ddb n ASP 122 Cb 0.00 0.69 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1ddb n ASP 122 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ddb n LYS 123 N -0.99 -0.94 0.00 -1.24 4.01 -1.26 -4.90 118.16 112.85 1ddb n LYS 123 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 1ddb n LYS 123 Cb 0.79 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.31 1ddb n LYS 123 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ddb n ARG 124 N -1.33 0.00 0.33 1.97 1.74 -1.26 -4.70 116.66 113.40 1ddb n ARG 124 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1ddb n ARG 124 Cb 0.00 0.00 0.47 0.00 -1.02 0.00 0.00 32.46 31.91 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1ddb h ASN 125 N 0.00 0.00 -0.92 0.55 -0.73 -2.00 0.33 115.58 112.80 1ddb h ASN 125 Ca 0.00 0.00 0.23 0.00 1.87 0.00 0.00 56.30 58.40 1ddb h ASN 125 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 38.42 1ddb h ASN 125 CO 0.00 0.00 -0.02 0.00 -0.37 0.00 0.00 177.43 177.04 1ddb h LEU 127 N 0.04 -0.03 -1.98 0.00 -0.00 -1.23 -1.05 115.31 111.06 1ddb h LEU 127 Ca 0.53 0.00 0.27 0.00 -0.00 0.00 0.00 57.88 58.68 1ddb h LEU 127 Cb 1.00 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.63 1ddb h LEU 127 CO -0.86 -0.01 0.70 0.00 -0.00 0.00 0.00 178.44 178.26 1ddb h ALA 128 N -1.69 2.88 -0.04 0.17 0.00 -1.25 1.43 119.26 120.76 1ddb h ALA 128 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ddb h ALA 128 Cb 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ddb h ALA 128 CO -0.00 -1.19 0.03 -0.22 0.00 0.00 0.00 179.25 177.87 1ddb h LYS 129 N 0.00 0.00 -0.06 0.00 3.64 0.34 -1.57 116.57 118.92 1ddb h LYS 129 Ca 0.45 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1ddb h LYS 129 Cb 1.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 1ddb h LYS 129 CO -0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 179.45 177.01 1ddb h ALA 130 N 1.98 0.09 -1.00 5.00 0.00 0.28 -2.67 119.26 122.94 1ddb h ALA 130 Ca 0.02 -0.37 0.22 0.00 0.00 0.00 0.00 54.91 54.78 1ddb h ALA 130 Cb 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.66 1ddb h ALA 130 CO -0.00 0.03 -0.16 1.25 0.00 0.00 0.00 179.25 180.37 1ddb h LEU 131 N -0.31 -0.78 0.22 0.00 6.46 -1.18 1.34 115.31 121.06 1ddb h LEU 131 Ca -0.01 0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 1ddb h LEU 131 Cb 0.79 0.58 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1ddb h LEU 131 CO 0.04 -0.34 -0.11 -0.78 -0.62 0.00 0.00 178.44 176.63 1ddb h ASP 132 N 0.00 -0.25 0.13 1.25 1.82 -1.53 0.58 116.42 118.41 1ddb h ASP 132 Ca 0.52 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1ddb h ASP 132 Cb 0.90 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1ddb h ASP 132 CO -1.00 0.02 -0.17 -0.33 -1.61 0.00 0.00 179.24 176.16 1ddb h GLU 133 N -0.52 -0.29 -0.95 0.28 4.39 0.51 0.26 114.58 118.26 1ddb h GLU 133 Ca -0.03 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.85 1ddb h GLU 133 Cb 0.39 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.03 1ddb h GLU 133 CO 0.05 -0.19 0.60 -0.24 -1.16 0.00 0.00 179.01 178.07 1ddb h VAL 134 N -0.30 0.80 -0.00 3.13 3.04 0.13 1.56 116.25 124.60 1ddb h VAL 134 Ca -0.01 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 1ddb h VAL 134 Cb 0.27 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.55 1ddb h VAL 134 CO -0.04 0.13 0.00 1.17 -1.01 0.00 0.00 177.57 177.82 1ddb n LYS 135 N -4.62 1.02 0.00 4.17 4.81 0.20 -1.70 118.16 122.04 1ddb n LYS 135 Ca 0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1ddb n LYS 135 Cb 0.51 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.37 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 -0.31 0.00 -0.09 3.15 5.66 0.50 -4.42 114.28 118.78 1ddb n THR 136 Ca 0.00 -0.17 -0.14 0.00 -3.05 0.00 0.00 64.05 60.70 1ddb n THR 136 Cb 0.10 0.71 -0.05 0.00 -1.55 0.00 0.00 70.33 69.54 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddb n ALA 137 N -0.66 1.22 -2.45 1.79 0.00 0.48 -4.75 120.51 116.14 1ddb n ALA 137 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 53.44 52.42 1ddb n ALA 137 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 2.81 -1.81 0.00 -1.74 -0.69 -5.08 117.46 106.68 1ddb n PHE 138 Ca -0.24 -2.86 -0.32 0.00 -0.56 0.00 0.00 57.45 53.48 1ddb n PHE 138 Cb 0.58 -0.18 0.03 0.00 1.52 0.00 0.00 39.48 41.42 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 -3.49 3.15 0.00 3.97 0.04 -1.17 -4.41 135.00 133.08 1ddb s PRO 139 Ca 0.44 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1ddb s PRO 139 Cb 0.41 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1ddb s PRO 139 CO -0.10 -0.94 0.00 -2.13 0.04 0.00 0.00 177.00 173.87 1ddb n ARG 140 N -2.60 0.00 0.00 4.56 3.00 -1.26 -4.80 116.66 115.56 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ddb n ASP 141 N 0.00 0.00 -0.05 6.15 9.92 -1.26 -3.73 116.55 127.58 1ddb n ASP 141 Ca 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 54.79 54.44 1ddb n ASP 141 Cb 0.00 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.10 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1ddb h MET 142 N 0.00 0.14 0.68 -1.24 1.85 -2.01 2.40 114.93 116.75 1ddb h MET 142 Ca 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1ddb h MET 142 Cb 0.00 -0.03 0.01 0.00 0.43 0.00 0.00 31.60 32.00 1ddb h MET 142 CO 0.00 0.09 -0.33 1.05 -0.40 0.00 0.00 176.91 177.33 1ddb h GLU 143 N 0.15 -0.88 0.11 0.39 4.11 -1.98 -1.44 114.58 115.03 1ddb h GLU 143 Ca 0.28 0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 1ddb h GLU 143 Cb 0.92 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ddb h GLU 143 CO -0.04 -0.59 -0.05 -0.91 0.07 0.00 0.00 179.01 177.49 1ddb h ASN 144 N -1.02 -0.12 -0.95 3.06 -0.26 -1.64 -3.27 115.58 111.37 1ddb h ASN 144 Ca -0.09 -0.45 0.12 0.00 -0.56 0.00 0.00 56.30 55.32 1ddb h ASN 144 Cb 0.70 0.03 -0.13 0.00 -1.06 0.00 0.00 38.32 37.86 1ddb h ASN 144 CO 0.15 0.50 -0.46 -0.67 -1.06 0.00 0.00 177.43 175.89 1ddb n ASP 145 N -4.85 -0.81 -0.39 5.81 -0.08 0.80 0.39 116.55 117.43 1ddb n ASP 145 Ca -0.08 1.67 0.37 0.00 -1.51 0.00 0.00 54.79 55.25 1ddb n ASP 145 Cb 0.28 -0.30 0.74 0.00 2.34 0.00 0.00 41.12 44.18 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 0.04 0.27 -0.67 3.64 -1.35 0.40 116.57 118.91 1ddb h LYS 146 Ca 0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1ddb h LYS 146 Cb 0.48 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1ddb h LYS 146 CO -0.92 0.02 -0.27 0.00 -2.27 0.00 0.00 179.45 176.01 1ddb h ALA 147 N 1.37 -0.57 -0.93 5.00 0.00 0.73 0.34 119.26 125.20 1ddb h ALA 147 Ca 0.64 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.59 1ddb h ALA 147 Cb 2.45 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 20.54 1ddb h ALA 147 CO -0.05 -0.85 0.55 0.00 0.00 0.00 0.00 179.25 178.89 1ddb h MET 148 N -0.58 0.79 -0.75 0.00 -0.00 -0.03 0.54 114.93 114.90 1ddb h MET 148 Ca -0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 1ddb h MET 148 Cb 0.53 -0.18 -0.04 0.00 -0.00 0.00 0.00 31.60 31.92 1ddb h MET 148 CO -0.06 0.52 0.42 -0.07 -0.00 0.00 0.00 176.91 177.73 1ddb h LEU 149 N 0.82 0.92 -2.04 -0.10 3.38 -1.04 -0.42 115.31 116.83 1ddb h LEU 149 Ca 0.49 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.49 1ddb h LEU 149 Cb 0.58 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ddb h LEU 149 CO -0.31 0.74 0.37 0.40 0.09 0.00 0.00 178.44 179.72 1ddb h ILE 150 N 1.03 0.54 -0.13 1.22 2.04 0.12 -0.06 117.51 122.27 1ddb h ILE 150 Ca 0.26 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1ddb h ILE 150 Cb 0.01 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1ddb h ILE 150 CO -0.05 0.00 0.06 0.24 0.00 0.00 0.00 178.15 178.40 1ddb h MET 151 N 0.00 0.19 0.11 2.37 2.86 -0.73 0.34 114.93 120.07 1ddb h MET 151 Ca 0.19 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1ddb h MET 151 Cb 0.92 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1ddb h MET 151 CO -0.00 0.27 -0.32 0.00 1.06 0.00 0.00 176.91 177.92 1ddb h THR 152 N 0.07 0.32 0.00 2.22 1.03 -1.01 -0.75 112.91 114.78 1ddb h THR 152 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.41 1ddb h THR 152 Cb 0.15 0.32 -0.00 0.00 -1.07 0.00 0.00 68.15 67.54 1ddb h THR 152 CO -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 175.52 175.36 1ddb h MET 153 N -0.54 0.00 0.38 0.00 3.00 -1.46 -3.05 114.93 113.26 1ddb h MET 153 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.73 1ddb h MET 153 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 32.14 1ddb h MET 153 CO -0.20 0.15 -0.52 1.25 0.00 0.00 0.00 176.91 177.59 1ddb h LEU 154 N 0.00 -1.47 -0.68 -0.10 7.12 0.12 1.39 115.31 121.69 1ddb h LEU 154 Ca -0.00 0.13 0.14 0.00 0.13 0.00 0.00 57.88 58.28 1ddb h LEU 154 Cb 0.40 0.50 -0.10 0.00 -0.53 0.00 0.00 40.66 40.94 1ddb h LEU 154 CO 0.02 -0.64 0.18 -0.07 -0.13 0.00 0.00 178.44 177.80 1ddb h LEU 155 N -0.93 0.05 0.54 2.25 4.07 -1.37 0.50 115.31 120.42 1ddb h LEU 155 Ca -0.05 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1ddb h LEU 155 Cb 0.84 0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.75 1ddb h LEU 155 CO -0.14 0.01 -0.26 0.00 -1.08 0.00 0.00 178.44 176.97 1ddb h ALA 156 N 1.54 -1.17 -1.17 1.53 0.00 -1.31 4.14 119.26 122.83 1ddb h ALA 156 Ca 0.37 -0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.49 1ddb h ALA 156 Cb 0.59 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1ddb h ALA 156 CO -0.45 -1.11 0.74 -0.22 0.00 0.00 0.00 179.25 178.21 1ddb h LYS 157 N -0.74 0.21 0.21 0.00 1.63 0.24 41.65 116.57 159.78 1ddb h LYS 157 Ca -0.07 -0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 59.39 1ddb h LYS 157 Cb 0.55 -0.05 0.03 0.00 -0.60 0.00 0.00 32.23 32.16 1ddb h LYS 157 CO 0.12 0.14 -1.48 0.87 -3.45 0.00 0.00 179.45 175.65 1ddb h LYS 158 N 0.22 0.45 0.00 1.90 1.79 0.47 -3.16 116.57 118.24 1ddb h LYS 158 Ca 0.73 -0.77 -0.45 0.00 -2.18 0.00 0.00 60.65 57.98 1ddb h LYS 158 Cb 2.08 0.29 -0.07 0.00 -1.58 0.00 0.00 32.23 32.95 1ddb h LYS 158 CO -0.42 1.36 -2.54 0.28 -1.08 0.00 0.00 179.45 177.05 1ddb n VAL 159 N -3.65 1.52 -0.01 0.50 0.31 1.36 0.67 118.33 119.04 1ddb n VAL 159 Ca -0.16 -0.43 -0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1ddb n VAL 159 Cb 1.08 -1.78 -0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 -4.03 -0.01 -0.15 3.52 0.00 12.16 -1.83 120.51 130.18 1ddb n ALA 160 Ca -0.53 0.02 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ddb n ALA 160 Cb 0.91 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.39 0.19 0.02 0.00 7.64 -1.21 -4.68 113.62 113.19 1ddb n SER 161 Ca 0.00 -0.53 -0.22 0.00 1.01 0.00 0.00 58.87 59.13 1ddb n SER 161 Cb 0.00 0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 1ddb n SER 161 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ddb h HIS 162 N 0.00 0.51 -2.88 1.43 -0.00 -1.37 -3.43 115.15 109.41 1ddb h HIS 162 Ca 0.00 -0.38 -0.60 0.00 -0.00 0.00 0.00 60.37 59.39 1ddb h HIS 162 Cb 0.08 -0.02 -0.40 0.00 -0.00 0.00 0.00 27.41 27.07 1ddb h HIS 162 CO 0.00 1.65 -0.77 0.00 -0.00 0.00 0.00 177.93 178.81 1ddb s ALA 163 N -2.52 1.86 0.00 2.45 0.00 3.11 -4.65 121.76 122.02 1ddb s ALA 163 Ca -0.20 -2.43 -0.04 0.00 0.00 0.00 0.00 51.96 49.29 1ddb s ALA 163 Cb 0.05 -1.82 -0.19 0.00 0.00 0.00 0.00 23.12 21.17 1ddb s ALA 163 CO 0.78 -2.07 2.75 -0.35 0.00 0.00 0.00 175.76 176.87 1ddb n PRO 164 N 3.63 1.44 0.00 0.00 -0.04 -1.15 -3.86 135.00 135.03 1ddb n PRO 164 Ca 0.10 -0.69 0.02 0.00 -0.04 0.00 0.00 63.50 62.89 1ddb n PRO 164 Cb 0.35 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 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 2.55 0.46 -3.64 3.54 7.64 -1.26 -4.85 113.62 118.06 1ddb n SER 165 Ca 0.30 0.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.19 1ddb n SER 165 Cb 0.67 0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 64.56 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ddb s LEU 166 N -5.33 -0.02 0.00 -3.43 2.01 -1.25 -5.07 118.68 105.59 1ddb s LEU 166 Ca -0.05 0.16 0.00 0.00 0.01 0.00 0.00 54.13 54.25 1ddb s LEU 166 Cb 0.10 0.19 0.00 0.00 0.01 0.00 0.00 46.19 46.49 1ddb s LEU 166 CO 0.84 -0.26 0.00 -0.11 1.01 0.00 0.00 176.35 177.83 1ddb n LEU 167 N 5.32 1.49 -0.35 1.79 7.94 -1.26 -3.00 117.00 128.92 1ddb n LEU 167 Ca -0.05 0.10 0.13 0.00 -1.11 0.00 0.00 56.01 55.09 1ddb n LEU 167 Cb 0.50 -0.15 0.33 0.00 0.53 0.00 0.00 43.42 44.62 1ddb n LEU 167 CO 0.05 -0.15 1.19 0.08 -1.11 0.00 0.00 177.39 177.46 1ddb h ARG 168 N 0.00 0.74 -1.00 1.96 0.11 -1.87 0.40 114.38 114.72 1ddb h ARG 168 Ca 0.00 -0.04 0.01 0.00 0.10 0.00 0.00 59.98 60.05 1ddb h ARG 168 Cb 0.00 -0.17 -0.05 0.00 1.11 0.00 0.00 29.97 30.86 1ddb h ARG 168 CO 0.00 0.49 0.66 0.22 0.10 0.00 0.00 179.97 181.44 1ddb h ASP 169 N 0.76 1.15 0.02 0.08 3.58 -1.94 0.13 116.42 120.20 1ddb h ASP 169 Ca 0.58 -0.03 0.03 0.00 0.42 0.00 0.00 57.03 58.03 1ddb h ASP 169 Cb 0.91 -0.29 -0.05 0.00 1.72 0.00 0.00 39.33 41.63 1ddb h ASP 169 CO -0.38 0.83 -0.38 1.62 -2.88 0.00 0.00 179.24 178.04 1ddb h VAL 170 N 1.35 0.21 0.20 2.25 3.04 -0.10 0.83 116.25 124.03 1ddb h VAL 170 Ca 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.05 1ddb h VAL 170 Cb -0.15 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 29.33 1ddb h VAL 170 CO -0.08 0.00 -0.10 -0.26 -1.01 0.00 0.00 177.57 176.12 1ddb h PHE 171 N -0.56 -0.25 -0.91 3.17 -1.00 -1.17 -2.29 116.94 113.94 1ddb h PHE 171 Ca 0.05 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 61.01 1ddb h PHE 171 Cb 0.63 0.08 -0.07 0.00 3.61 0.00 0.00 35.95 40.20 1ddb h PHE 171 CO -0.38 -0.09 0.59 1.25 -1.61 0.00 0.00 178.31 178.08 1ddb h HIS 172 N -0.36 0.64 0.22 -0.55 2.76 -0.41 0.03 115.15 117.48 1ddb h HIS 172 Ca -0.03 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1ddb h HIS 172 Cb 0.28 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1ddb h HIS 172 CO -0.04 0.18 -0.11 1.15 -1.30 0.00 0.00 177.93 177.81 1ddb h THR 173 N 0.49 0.80 0.57 6.26 2.02 0.12 0.81 112.91 123.98 1ddb h THR 173 Ca 0.48 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.52 1ddb h THR 173 Cb 1.07 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1ddb h THR 173 CO -0.21 0.02 -0.29 0.71 0.37 0.00 0.00 175.52 176.13 1ddb h THR 174 N -0.35 0.00 0.00 3.16 1.35 -0.56 -1.41 112.91 115.10 1ddb h THR 174 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1ddb h THR 174 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1ddb h THR 174 CO 0.05 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.84 1ddb n VAL 175 N -4.18 0.02 0.17 6.82 0.31 -0.20 -2.62 118.33 118.65 1ddb n VAL 175 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1ddb n VAL 175 Cb 0.31 -0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 32.35 1ddb n VAL 175 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1ddb h ASN 176 N 0.00 -0.42 -0.74 4.52 -1.24 0.18 -0.23 115.58 117.64 1ddb h ASN 176 Ca 0.00 -0.02 0.13 0.00 0.71 0.00 0.00 56.30 57.12 1ddb h ASN 176 Cb 0.00 0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.07 1ddb h ASN 176 CO 0.00 0.02 0.31 -0.26 -1.29 0.00 0.00 177.43 176.21 1ddb h PHE 177 N -1.11 0.53 0.41 0.67 -1.00 -1.35 0.58 116.94 115.67 1ddb h PHE 177 Ca -0.05 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1ddb h PHE 177 Cb 0.42 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1ddb h PHE 177 CO 0.01 0.09 -0.20 0.82 -1.61 0.00 0.00 178.31 177.42 1ddb h ILE 178 N 0.47 0.59 -0.82 -0.55 2.04 -1.64 -2.47 117.51 115.13 1ddb h ILE 178 Ca 0.40 -0.28 0.15 0.00 1.00 0.00 0.00 64.86 66.14 1ddb h ILE 178 Cb 0.58 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1ddb h ILE 178 CO -0.38 0.05 0.54 -0.55 0.00 0.00 0.00 178.15 177.82 1ddb h ASN 179 N -0.71 0.49 0.00 1.72 -1.07 -0.20 3.04 115.58 118.84 1ddb h ASN 179 Ca -0.06 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1ddb h ASN 179 Cb 0.51 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1ddb h ASN 179 CO 0.09 0.24 0.00 0.00 0.07 0.00 0.00 177.43 177.83 1ddb n GLN 180 N -4.51 0.00 0.00 4.14 1.13 0.20 -4.57 117.38 113.76 1ddb n GLN 180 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1ddb n GLN 180 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.88 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ddb n ASN 181 N 0.00 0.53 -1.57 1.08 2.85 -1.20 -4.54 115.26 112.41 1ddb n ASN 181 Ca 0.00 -0.76 -0.01 0.00 -0.11 0.00 0.00 54.58 53.70 1ddb n ASN 181 Cb 0.00 0.53 0.24 0.00 1.24 0.00 0.00 39.78 41.79 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ddb n LEU 182 N -0.52 4.63 -0.51 1.20 7.99 -0.92 -4.56 117.00 124.31 1ddb n LEU 182 Ca 0.00 -2.38 0.39 0.00 -0.01 0.00 0.00 56.01 54.02 1ddb n LEU 182 Cb 0.02 -0.66 0.61 0.00 -0.11 0.00 0.00 43.42 43.28 1ddb n LEU 182 CO 0.01 0.61 1.11 0.33 -1.51 0.00 0.00 177.39 177.94 1ddb n PHE 183 N 0.14 0.11 -3.63 -1.77 7.35 1.01 -3.75 117.46 116.91 1ddb n PHE 183 Ca 0.25 0.11 -0.06 0.00 -0.76 0.00 0.00 57.45 56.99 1ddb n PHE 183 Cb 1.02 -0.49 -0.08 0.00 0.35 0.00 0.00 39.48 40.28 1ddb n PHE 183 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1ddb s SER 184 N -3.98 -0.52 0.82 -2.13 1.04 -1.26 -4.67 113.70 103.00 1ddb s SER 184 Ca -0.04 1.12 -0.11 0.00 0.48 0.00 0.00 55.95 57.40 1ddb s SER 184 Cb 0.21 1.63 0.11 0.00 0.10 0.00 0.00 66.02 68.08 1ddb s SER 184 CO 0.68 -0.23 1.16 -0.47 0.98 0.00 0.00 173.24 175.36 1ddb s TYR 185 N 2.70 2.45 0.45 5.02 5.04 -1.25 -4.76 117.35 127.00 1ddb s TYR 185 Ca -0.02 0.46 0.33 0.00 -2.44 0.00 0.00 57.07 55.41 1ddb s TYR 185 Cb -0.12 -3.56 1.50 0.00 0.35 0.00 0.00 41.96 40.13 1ddb s TYR 185 CO -0.15 -1.92 1.59 -0.24 -1.34 0.00 0.00 175.55 173.49 1ddb h VAL 186 N -1.06 0.04 -0.30 3.14 3.04 -1.99 1.27 116.25 120.39 1ddb h VAL 186 Ca -0.44 -0.01 0.06 0.00 -1.01 0.00 0.00 66.70 65.30 1ddb h VAL 186 Cb 1.29 0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 30.53 1ddb h VAL 186 CO 0.54 0.00 -0.08 0.03 -1.01 0.00 0.00 177.57 177.06 1ddb h ARG 187 N 0.02 -0.01 -0.44 4.17 -0.00 -1.99 0.21 114.38 116.34 1ddb h ARG 187 Ca 0.87 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 60.34 1ddb h ARG 187 Cb 2.84 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 32.79 1ddb h ARG 187 CO -0.43 -0.01 0.24 -0.91 0.00 0.00 0.00 179.97 178.87 1ddb h ASN 188 N -0.01 0.55 -0.70 7.04 2.35 0.13 -0.90 115.58 124.03 1ddb h ASN 188 Ca 0.14 -0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1ddb h ASN 188 Cb 0.23 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.38 1ddb h ASN 188 CO -0.31 0.48 0.31 -0.07 -1.65 0.00 0.00 177.43 176.19 1ddb h LEU 189 N 0.57 0.36 -0.89 1.61 3.38 -0.69 0.13 115.31 119.79 1ddb h LEU 189 Ca 0.15 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ddb h LEU 189 Cb 0.05 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1ddb h LEU 189 CO -0.02 0.19 0.38 0.58 0.09 0.00 0.00 178.44 179.65 1ddb h VAL 190 N 0.52 1.26 -0.03 1.22 2.07 -0.01 0.22 116.25 121.49 1ddb h VAL 190 Ca 0.36 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ddb h VAL 190 Cb 0.45 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1ddb h VAL 190 CO -0.31 0.31 -0.44 -0.09 0.02 0.00 0.00 177.57 177.06 1ddb h ARG 191 N 1.17 -0.55 0.12 1.57 1.12 0.61 -2.68 114.38 115.74 1ddb h ARG 191 Ca 0.28 0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.18 1ddb h ARG 191 Cb 0.14 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1ddb h ARG 191 CO -0.03 -0.37 -0.06 -2.95 -3.11 0.00 0.00 179.97 173.45 1ddb h ASN 192 N -0.57 -0.13 -5.99 -3.80 -1.07 -1.19 -3.48 115.58 99.35 1ddb h ASN 192 Ca 0.05 -0.23 -0.35 0.00 0.07 0.00 0.00 56.30 55.84 1ddb h ASN 192 Cb 0.66 0.03 0.02 0.00 -2.07 0.00 0.00 38.32 36.96 1ddb h ASN 192 CO -0.34 0.16 -1.05 1.21 0.07 0.00 0.00 177.43 177.48 1ddb n GLU 193 N -5.03 -1.63 -3.78 4.14 2.13 0.74 -4.97 120.64 112.24 1ddb n GLU 193 Ca -0.09 1.17 -0.09 0.00 0.66 0.00 0.00 57.16 58.81 1ddb n GLU 193 Cb 0.19 -1.73 -0.04 0.00 0.27 0.00 0.00 31.44 30.14 1ddb n GLU 193 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddb s MET 194 N -2.32 1.43 0.00 5.31 0.23 -1.26 -5.09 119.30 117.60 1ddb s MET 194 Ca 0.31 -0.92 0.30 0.00 -1.03 0.00 0.00 55.69 54.34 1ddb s MET 194 Cb -0.03 0.52 1.44 0.00 -1.53 0.00 0.00 34.83 35.23 1ddb s MET 194 CO 0.76 -0.61 1.96 -0.25 -2.03 0.00 0.00 175.02 174.85