#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 -0.22 3.17 5.68 -1.26 -5.17 116.55 118.75 1ddb n ASP 2 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 1ddb n ASP 2 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1ddb n ASP 2 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1ddb n SER 3 N 0.00 -1.20 -3.68 -1.12 2.88 -1.26 -5.10 113.62 104.14 1ddb n SER 3 Ca 0.00 0.25 -0.05 0.00 -1.33 0.00 0.00 58.87 57.74 1ddb n SER 3 Cb 0.00 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 1ddb n SER 3 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ddb s GLU 4 N -3.72 1.49 0.16 -1.46 2.02 -1.26 -5.16 118.70 110.76 1ddb s GLU 4 Ca 0.00 -0.85 -0.19 0.00 0.02 0.00 0.00 54.97 53.95 1ddb s GLU 4 Cb 0.00 0.49 -0.07 0.00 0.10 0.00 0.00 34.13 34.64 1ddb s GLU 4 CO 0.00 -0.68 0.65 0.54 0.02 0.00 0.00 175.26 175.79 1ddb s VAL 5 N -3.29 4.65 -0.25 2.63 0.11 -1.26 -5.05 120.40 117.94 1ddb s VAL 5 Ca 0.13 1.22 -0.34 0.00 -2.93 0.00 0.00 61.98 60.06 1ddb s VAL 5 Cb -0.03 -3.88 0.16 0.00 -1.53 0.00 0.00 36.38 31.10 1ddb s VAL 5 CO 0.05 0.35 1.30 -0.55 -3.33 0.00 0.00 175.10 172.92 1ddb s SER 6 N -1.46 -0.08 0.22 3.54 0.15 -1.26 -5.16 113.70 109.65 1ddb s SER 6 Ca 0.37 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1ddb s SER 6 Cb -0.18 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1ddb s SER 6 CO 0.21 -0.11 0.00 -3.20 1.20 0.00 0.00 173.24 171.34 1ddb n ASN 7 N 0.19 -3.20 0.00 5.45 5.15 -1.26 -5.06 115.26 116.53 1ddb n ASN 7 Ca 0.01 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1ddb n ASN 7 Cb 0.58 -1.87 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 1ddb n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ddb n GLY 8 N -3.05 -1.18 3.44 8.20 0.00 -1.26 -5.19 105.19 106.15 1ddb n GLY 8 Ca -0.03 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1ddb n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ddb s SER 9 N 0.00 0.21 0.00 1.61 0.01 -1.26 -5.11 113.70 109.16 1ddb s SER 9 Ca 0.00 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1ddb s SER 9 Cb 0.00 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1ddb s SER 9 CO 0.00 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1ddb n GLY 10 N -0.39 -0.96 3.80 3.44 0.00 -1.26 -5.16 105.19 104.67 1ddb n GLY 10 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 1ddb n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddb s LEU 11 N 0.00 3.58 0.00 0.99 2.01 -1.26 -4.97 118.68 119.03 1ddb s LEU 11 Ca 0.00 1.84 0.00 0.00 0.01 0.00 0.00 54.13 55.98 1ddb s LEU 11 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.66 1ddb s LEU 11 CO 0.00 -1.07 0.00 0.61 1.01 0.00 0.00 176.35 176.90 1ddb n GLY 12 N -0.81 4.26 3.95 -3.19 0.00 -1.26 -5.14 105.19 103.01 1ddb n GLY 12 Ca 0.09 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s ALA 13 N -2.12 2.78 -0.16 4.61 0.00 -1.26 -4.61 121.76 121.00 1ddb s ALA 13 Ca 0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 1ddb s ALA 13 Cb 0.00 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.65 1ddb s ALA 13 CO 0.00 -2.05 0.46 0.15 0.00 0.00 0.00 175.76 174.32 1ddb s LYS 14 N -5.61 0.56 0.31 0.00 -0.14 -1.26 -5.03 119.74 108.57 1ddb s LYS 14 Ca 0.71 0.57 0.02 0.00 -1.36 0.00 0.00 55.97 55.90 1ddb s LYS 14 Cb -0.05 0.27 0.58 0.00 -1.68 0.00 0.00 37.83 36.95 1ddb s LYS 14 CO 0.50 -0.08 1.90 0.45 -0.76 0.00 0.00 175.35 177.35 1ddb h HIS 15 N 5.23 1.02 0.00 3.18 3.86 -2.02 0.35 115.15 126.78 1ddb h HIS 15 Ca -0.27 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1ddb h HIS 15 Cb 1.18 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1ddb h HIS 15 CO 0.41 0.50 0.30 0.82 0.86 0.00 0.00 177.93 180.82 1ddb h ILE 16 N 0.97 0.00 0.38 2.45 1.08 -1.99 -1.89 117.51 118.51 1ddb h ILE 16 Ca 0.41 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.87 1ddb h ILE 16 Cb 0.31 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1ddb h ILE 16 CO -0.17 0.00 -0.38 0.74 -0.69 0.00 0.00 178.15 177.65 1ddb h THR 17 N 0.00 0.00 -0.99 -0.27 2.02 -0.67 -0.87 112.91 112.13 1ddb h THR 17 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1ddb h THR 17 Cb 0.61 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.92 1ddb h THR 17 CO 0.00 0.00 0.63 0.44 0.37 0.00 0.00 175.52 176.96 1ddb h ASP 18 N -0.75 0.56 -0.30 4.18 5.19 -1.51 1.14 116.42 124.93 1ddb h ASP 18 Ca -0.05 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1ddb h ASP 18 Cb 0.65 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 1ddb h ASP 18 CO -0.05 0.17 0.20 -0.07 -3.12 0.00 0.00 179.24 176.37 1ddb h LEU 19 N 0.53 0.29 -0.34 1.55 -0.00 -1.34 -0.21 115.31 115.79 1ddb h LEU 19 Ca 0.56 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.41 1ddb h LEU 19 Cb 1.21 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1ddb h LEU 19 CO -0.31 0.20 0.13 0.25 -0.00 0.00 0.00 178.44 178.71 1ddb h LEU 20 N 0.34 0.48 0.74 1.67 7.12 0.27 1.47 115.31 127.39 1ddb h LEU 20 Ca 0.12 -0.18 -0.04 0.00 0.13 0.00 0.00 57.88 57.91 1ddb h LEU 20 Cb 0.06 -0.13 0.01 0.00 -0.53 0.00 0.00 40.66 40.07 1ddb h LEU 20 CO -0.03 0.54 -0.35 1.62 -0.13 0.00 0.00 178.44 180.09 1ddb h VAL 21 N 0.40 0.00 -0.69 1.05 3.04 -0.94 1.85 116.25 120.96 1ddb h VAL 21 Ca 0.11 -0.14 0.05 0.00 -1.01 0.00 0.00 66.70 65.71 1ddb h VAL 21 Cb 0.21 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.45 1ddb h VAL 21 CO -0.01 0.00 0.46 0.15 -1.01 0.00 0.00 177.57 177.16 1ddb h PHE 22 N -1.13 0.75 0.00 3.17 3.57 -1.09 -1.35 116.94 120.87 1ddb h PHE 22 Ca -0.10 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.21 1ddb h PHE 22 Cb 0.76 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1ddb h PHE 22 CO 0.03 0.42 -0.90 0.78 -2.23 0.00 0.00 178.31 176.40 1ddb h GLY 23 N 0.76 0.32 0.40 2.40 0.00 0.22 -3.03 103.07 104.14 1ddb h GLY 23 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1ddb h GLY 23 CO -0.09 0.50 -0.45 -2.75 0.00 0.00 0.00 176.54 173.75 1ddb h PHE 24 N 0.16 -1.27 -0.67 5.60 3.04 0.41 0.00 116.94 124.22 1ddb h PHE 24 Ca -0.06 0.02 0.06 0.00 3.98 0.00 0.00 57.97 61.97 1ddb h PHE 24 Cb 1.53 0.52 -0.06 0.00 2.56 0.00 0.00 35.95 40.50 1ddb h PHE 24 CO 0.04 -0.58 0.37 -0.07 -2.02 0.00 0.00 178.31 176.05 1ddb h LEU 25 N -0.80 0.54 -1.75 0.59 4.07 -1.59 0.62 115.31 116.99 1ddb h LEU 25 Ca -0.02 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.14 1ddb h LEU 25 Cb 0.76 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 1ddb h LEU 25 CO -0.16 0.35 0.50 -0.61 -1.08 0.00 0.00 178.44 177.44 1ddb h GLN 26 N 0.68 0.23 0.00 1.13 4.15 -1.26 -3.21 115.11 116.83 1ddb h GLN 26 Ca 0.30 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1ddb h GLN 26 Cb 0.19 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1ddb h GLN 26 CO -0.19 0.15 0.00 0.45 -1.93 0.00 0.00 178.83 177.32 1ddb n SER 27 N -4.43 0.00 -0.38 -0.69 2.88 0.20 -4.87 113.62 106.33 1ddb n SER 27 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1ddb n SER 27 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1ddb n SER 27 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ddb n SER 28 N 0.00 0.00 0.00 -3.46 2.88 -1.18 -4.94 113.62 106.92 1ddb n SER 28 Ca 0.00 -1.72 0.00 0.00 -1.33 0.00 0.00 58.87 55.82 1ddb n SER 28 Cb 0.00 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.00 -1.77 0.00 0.46 0.00 -1.14 -4.70 105.19 98.04 1ddb n GLY 29 Ca 0.00 0.00 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 0.08 0.16 0.00 -4.23 -1.26 -5.00 115.64 105.39 1ddb s THR 31 Ca 0.00 -0.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 1ddb s THR 31 Cb 0.00 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1ddb s THR 31 CO 0.00 -0.36 1.55 -0.09 -0.54 0.00 0.00 174.62 175.18 1ddb h ARG 32 N 4.43 -0.18 -0.24 3.99 1.12 -1.90 1.63 114.38 123.22 1ddb h ARG 32 Ca -0.30 0.01 0.07 0.00 -1.11 0.00 0.00 59.98 58.65 1ddb h ARG 32 Cb 1.19 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.19 1ddb h ARG 32 CO 0.41 -0.12 0.27 0.37 -3.11 0.00 0.00 179.97 177.79 1ddb h GLN 33 N -0.19 0.00 0.51 0.20 -0.00 -1.94 -1.76 115.11 111.93 1ddb h GLN 33 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.77 1ddb h GLN 33 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.01 1ddb h GLN 33 CO -0.77 0.00 -0.25 1.49 0.00 0.00 0.00 178.83 179.30 1ddb h GLU 34 N 0.00 -0.66 -1.01 1.69 4.57 0.20 0.47 114.58 119.84 1ddb h GLU 34 Ca 0.12 0.05 0.36 0.00 -1.18 0.00 0.00 59.36 58.71 1ddb h GLU 34 Cb 0.66 0.15 -0.16 0.00 -0.16 0.00 0.00 28.75 29.24 1ddb h GLU 34 CO -0.00 -0.36 0.56 1.25 -1.18 0.00 0.00 179.01 179.28 1ddb h LEU 35 N -0.97 0.43 0.04 1.64 7.12 -0.32 2.09 115.31 125.34 1ddb h LEU 35 Ca -0.07 0.22 -0.23 0.00 0.13 0.00 0.00 57.88 57.93 1ddb h LEU 35 Cb 0.61 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.91 1ddb h LEU 35 CO 0.12 -0.26 -1.11 -0.08 -0.13 0.00 0.00 178.44 176.97 1ddb h GLU 36 N 0.19 0.08 0.68 1.25 4.81 -1.42 -1.11 114.58 119.06 1ddb h GLU 36 Ca 0.78 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.85 1ddb h GLU 36 Cb 1.92 0.05 0.01 0.00 0.63 0.00 0.00 28.75 31.36 1ddb h GLU 36 CO -0.67 1.03 -0.33 -0.24 -0.73 0.00 0.00 179.01 178.08 1ddb h VAL 37 N 0.02 0.08 -0.32 0.32 3.04 0.79 -1.47 116.25 118.71 1ddb h VAL 37 Ca -0.06 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 1ddb h VAL 37 Cb 1.84 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1ddb h VAL 37 CO 0.15 0.01 0.14 -0.07 -1.01 0.00 0.00 177.57 176.79 1ddb h LEU 38 N -1.20 0.44 -0.91 3.16 3.38 0.27 -2.57 115.31 117.87 1ddb h LEU 38 Ca -0.09 -0.15 0.22 0.00 0.09 0.00 0.00 57.88 57.95 1ddb h LEU 38 Cb 0.72 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 1ddb h LEU 38 CO 0.15 0.47 0.42 1.23 0.09 0.00 0.00 178.44 180.80 1ddb h GLY 39 N 0.38 1.58 0.00 0.83 0.00 -1.22 -3.44 103.07 101.20 1ddb h GLY 39 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ddb h GLY 39 CO -0.01 -0.26 0.00 0.54 0.00 0.00 0.00 176.54 176.81 1ddb n ARG 40 N -5.02 0.00 -3.71 4.80 1.74 -0.55 -5.06 116.66 108.86 1ddb n ARG 40 Ca 0.23 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.13 1ddb n ARG 40 Cb 0.66 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.93 1ddb n ARG 40 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1ddb s GLU 41 N 0.00 -0.05 -0.24 5.56 4.04 -1.19 -4.35 118.70 122.47 1ddb s GLU 41 Ca 0.00 0.32 -0.11 0.00 0.04 0.00 0.00 54.97 55.23 1ddb s GLU 41 Cb 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 34.13 33.72 1ddb s GLU 41 CO 0.00 -0.26 0.16 -0.51 -1.84 0.00 0.00 175.26 172.81 1ddb s LEU 42 N 1.73 4.12 1.09 1.83 2.01 -1.26 -5.09 118.68 123.11 1ddb s LEU 42 Ca -0.01 0.12 -0.18 0.00 0.01 0.00 0.00 54.13 54.07 1ddb s LEU 42 Cb -0.12 -2.11 0.25 0.00 0.01 0.00 0.00 46.19 44.22 1ddb s LEU 42 CO -0.03 0.07 1.22 -2.16 1.01 0.00 0.00 176.35 176.46 1ddb s PRO 43 N 1.02 -0.36 -0.89 1.29 0.04 -1.26 -4.79 135.00 130.06 1ddb s PRO 43 Ca 0.08 -0.28 -0.32 0.00 0.04 0.00 0.00 61.00 60.52 1ddb s PRO 43 Cb -0.13 -1.72 -0.20 0.00 0.04 0.00 0.00 34.50 32.49 1ddb s PRO 43 CO 0.04 -3.10 2.61 0.28 0.04 0.00 0.00 177.00 176.87 1ddb n VAL 44 N -4.28 -0.01 0.00 -0.36 0.31 -1.26 -4.39 118.33 108.34 1ddb n VAL 44 Ca 0.15 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ddb n VAL 44 Cb 0.59 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1ddb n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddb n GLN 45 N 8.46 0.00 -3.65 5.55 -0.00 -1.26 -5.14 117.38 121.35 1ddb n GLN 45 Ca 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.59 1ddb n GLN 45 Cb 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.28 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ddb s ALA 46 N 0.00 -2.02 -0.31 2.61 0.00 -1.26 -5.11 121.76 115.68 1ddb s ALA 46 Ca 0.00 2.37 -0.28 0.00 0.00 0.00 0.00 51.96 54.04 1ddb s ALA 46 Cb 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 23.12 21.30 1ddb s ALA 46 CO 0.00 -0.80 1.09 0.98 0.00 0.00 0.00 175.76 177.03 1ddb n TYR 47 N 5.18 0.97 0.00 0.00 9.36 -1.26 -4.74 117.16 126.66 1ddb n TYR 47 Ca -0.14 0.63 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1ddb n TYR 47 Cb 0.51 -1.39 0.00 0.00 -0.63 0.00 0.00 39.34 37.84 1ddb n TYR 47 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1ddb n TRP 48 N 3.16 0.00 -3.65 2.98 -0.00 -1.26 -5.15 117.44 113.52 1ddb n TRP 48 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.69 1ddb n TRP 48 Cb -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.21 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 1ddb s GLU 49 N -2.08 0.53 0.46 5.87 1.03 -1.26 -5.04 118.70 118.21 1ddb s GLU 49 Ca 0.00 1.25 -0.17 0.00 0.03 0.00 0.00 54.97 56.08 1ddb s GLU 49 Cb 0.00 0.52 -0.14 0.00 -0.80 0.00 0.00 34.13 33.70 1ddb s GLU 49 CO 0.00 -0.20 -0.09 0.00 -1.33 0.00 0.00 175.26 173.64 1ddb n ALA 50 N 5.10 -2.97 -3.64 -0.84 0.00 -1.26 -4.98 120.51 111.92 1ddb n ALA 50 Ca -0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1ddb n ALA 50 Cb 0.52 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 1ddb n ALA 50 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ddb s ASP 51 N -0.95 -0.35 0.00 0.00 -4.77 -1.26 -4.44 116.67 104.90 1ddb s ASP 51 Ca 0.54 0.67 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 1ddb s ASP 51 Cb -0.49 0.67 0.00 0.00 -1.09 0.00 0.00 42.92 42.01 1ddb s ASP 51 CO 0.62 -0.13 0.00 -0.11 0.70 0.00 0.00 175.17 176.26 1ddb n LEU 52 N 2.00 0.00 -0.38 2.11 7.94 -1.22 -4.98 117.00 122.47 1ddb n LEU 52 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1ddb n LEU 52 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1ddb n LEU 52 CO 0.03 0.00 -0.11 1.21 -1.11 0.00 0.00 177.39 177.40 1ddb n GLU 53 N -0.06 -1.05 -3.72 1.96 2.13 -1.26 -4.90 120.64 113.74 1ddb n GLU 53 Ca 0.00 0.80 -0.06 0.00 0.66 0.00 0.00 57.16 58.57 1ddb n GLU 53 Cb 0.00 -0.96 -0.02 0.00 0.27 0.00 0.00 31.44 30.74 1ddb n GLU 53 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1ddb s ASP 54 N -3.06 -0.25 -0.21 4.31 -4.77 -1.26 -4.95 116.67 106.48 1ddb s ASP 54 Ca 0.00 -0.37 -0.17 0.00 -3.30 0.00 0.00 52.55 48.71 1ddb s ASP 54 Cb 0.00 0.54 -0.13 0.00 -1.09 0.00 0.00 42.92 42.24 1ddb s ASP 54 CO 0.00 -0.97 -0.06 1.21 0.70 0.00 0.00 175.17 176.05 1ddb n GLU 55 N -0.43 0.55 0.21 2.11 2.13 -1.26 -5.02 120.64 118.93 1ddb n GLU 55 Ca -0.07 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1ddb n GLU 55 Cb 0.61 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1ddb n GLU 55 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1ddb n LEU 56 N -4.42 -3.85 -4.60 4.31 0.00 -1.26 -5.14 117.00 102.04 1ddb n LEU 56 Ca -0.32 0.88 -0.24 0.00 0.00 0.00 0.00 56.01 56.33 1ddb n LEU 56 Cb 0.64 3.62 -0.08 0.00 0.00 0.00 0.00 43.42 47.60 1ddb n LEU 56 CO 0.13 0.29 -0.37 0.00 0.00 0.00 0.00 177.39 177.44 1ddb s GLN 57 N -1.98 2.13 0.05 1.96 -2.07 -1.26 -5.01 119.66 113.48 1ddb s GLN 57 Ca 0.00 -1.43 0.00 0.00 -1.82 0.00 0.00 55.36 52.11 1ddb s GLN 57 Cb 0.00 -2.10 0.00 0.00 -1.09 0.00 0.00 33.01 29.82 1ddb s GLN 57 CO 0.00 0.38 0.00 -2.37 -1.32 0.00 0.00 175.29 171.98 1ddb n THR 58 N -0.60 0.00 0.00 3.63 5.66 -1.26 -5.04 114.28 116.67 1ddb n THR 58 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1ddb n THR 58 Cb 0.58 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1ddb n THR 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ddb n ASP 59 N -2.60 0.00 0.00 1.09 8.00 -1.26 -3.17 116.55 118.61 1ddb n ASP 59 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ddb n ASP 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ddb n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddb n GLY 60 N 0.00 -0.36 2.86 0.44 0.00 -1.26 -5.14 105.19 101.73 1ddb n GLY 60 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1ddb n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 61 N -2.09 -3.37 -1.88 1.61 7.64 -1.19 -4.79 113.62 109.55 1ddb n SER 61 Ca 0.00 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1ddb n SER 61 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1ddb n SER 61 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1ddb n GLN 62 N -2.89 -5.18 0.17 1.43 0.00 -1.26 -4.89 117.38 104.76 1ddb n GLN 62 Ca 0.09 3.72 0.00 0.00 -0.00 0.00 0.00 57.00 60.80 1ddb n GLN 62 Cb 0.38 -4.04 0.00 0.00 0.00 0.00 0.00 30.24 26.58 1ddb n GLN 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ddb n ALA 63 N 1.00 1.35 -0.98 1.69 0.00 -1.26 -4.95 120.51 117.36 1ddb n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ddb n ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.34 -5.58 -4.90 0.00 7.64 -1.26 -3.37 113.62 102.81 1ddb n SER 64 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1ddb n SER 64 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1ddb n SER 64 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ddb s ARG 65 N 0.00 1.98 0.00 1.43 6.06 -1.26 -4.17 118.95 122.99 1ddb s ARG 65 Ca 0.00 -1.54 0.00 0.00 -2.50 0.00 0.00 55.73 51.69 1ddb s ARG 65 Cb 0.00 -2.52 0.00 0.00 0.06 0.00 0.00 34.95 32.49 1ddb s ARG 65 CO 0.00 -1.17 0.00 0.43 -2.50 0.00 0.00 175.30 172.06 1ddb n SER 66 N -2.51 0.00 -2.66 -2.12 7.64 -1.26 -4.59 113.62 108.12 1ddb n SER 66 Ca 0.17 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 1ddb n SER 66 Cb 0.62 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.84 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 -1.20 1.24 -3.49 1.43 1.16 -1.26 -4.76 117.46 110.58 1ddb n PHE 67 Ca 0.00 -2.81 -0.22 0.00 -1.87 0.00 0.00 57.45 52.55 1ddb n PHE 67 Cb 0.00 -0.37 0.01 0.00 -1.61 0.00 0.00 39.48 37.51 1ddb n PHE 67 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1ddb s ASN 68 N -3.13 4.95 0.17 5.98 3.84 -1.26 -5.14 114.94 120.35 1ddb s ASN 68 Ca 0.28 -0.94 -0.03 0.00 0.21 0.00 0.00 52.86 52.38 1ddb s ASN 68 Cb 0.46 0.05 0.01 0.00 -0.55 0.00 0.00 41.25 41.22 1ddb s ASN 68 CO 0.03 -1.04 0.29 0.00 -2.79 0.00 0.00 177.10 173.59 1ddb n GLN 69 N -1.86 0.41 -4.23 0.43 1.13 -1.26 -5.11 117.38 106.89 1ddb n GLN 69 Ca 0.06 -1.22 -0.13 0.00 -1.94 0.00 0.00 57.00 53.76 1ddb n GLN 69 Cb 0.62 1.29 -0.10 0.00 0.11 0.00 0.00 30.24 32.16 1ddb n GLN 69 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ddb s GLY 70 N -2.01 1.22 -0.30 1.08 0.00 -1.26 -5.14 107.32 100.91 1ddb s GLY 70 Ca 0.11 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1ddb s GLY 70 CO 0.08 -1.51 0.31 0.50 0.00 0.00 0.00 173.10 172.48 1ddb s ARG 71 N -3.93 0.37 -0.11 2.90 3.00 -1.26 -4.97 118.95 114.95 1ddb s ARG 71 Ca 0.24 -0.22 0.04 0.00 0.00 0.00 0.00 55.73 55.80 1ddb s ARG 71 Cb 0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 34.95 34.28 1ddb s ARG 71 CO 0.04 -1.05 -0.05 0.44 0.00 0.00 0.00 175.30 174.68 1ddb n ILE 72 N 5.17 0.69 -3.46 1.52 -5.35 -1.26 -4.90 119.36 111.76 1ddb n ILE 72 Ca -0.00 -0.33 -0.26 0.00 -0.27 0.00 0.00 62.75 61.89 1ddb n ILE 72 Cb 0.46 -0.85 -0.12 0.00 -1.74 0.00 0.00 39.64 37.39 1ddb n ILE 72 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1ddb s GLU 73 N -2.24 0.43 -0.73 6.28 2.12 -1.26 -5.02 118.70 118.27 1ddb s GLU 73 Ca -0.12 -0.90 -0.06 0.00 0.36 0.00 0.00 54.97 54.25 1ddb s GLU 73 Cb 0.04 -1.11 -0.12 0.00 0.26 0.00 0.00 34.13 33.20 1ddb s GLU 73 CO 0.33 -1.13 2.62 -0.35 -0.54 0.00 0.00 175.26 176.20 1ddb n PRO 74 N 4.56 2.27 -0.13 4.30 -0.04 -1.26 -4.91 135.00 139.79 1ddb n PRO 74 Ca 0.05 -1.37 0.02 0.00 -0.04 0.00 0.00 63.50 62.16 1ddb n PRO 74 Cb 0.41 -2.31 -0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.41 -2.61 0.00 3.54 2.03 -1.26 -5.02 116.55 116.64 1ddb n ASP 75 Ca 0.48 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.94 1ddb n ASP 75 Cb 0.38 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -3.80 0.00 0.00 1.67 7.64 -1.26 -5.04 113.62 112.83 1ddb n SER 76 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ddb n SER 76 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ddb n SER 76 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ddb n GLU 77 N -1.06 0.00 -1.79 1.43 0.00 -1.26 -4.49 120.64 113.47 1ddb n GLU 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ddb n GLU 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ddb n GLU 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ddb n SER 78 N 3.98 -0.99 0.00 4.31 2.88 -1.26 -4.34 113.62 118.20 1ddb n SER 78 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ddb n SER 78 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1ddb n SER 78 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ddb n GLN 79 N -0.92 0.00 0.00 -1.46 -0.06 -1.26 -4.45 117.38 109.22 1ddb n GLN 79 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ddb n GLN 79 Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 1ddb n GLN 79 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1ddb n GLU 80 N 0.00 0.00 0.00 3.69 0.28 -1.26 -5.19 120.64 118.16 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 0.00 0.00 -0.07 3.44 1.02 -1.26 -5.03 120.64 118.74 1ddb n GLU 81 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1ddb n GLU 81 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.11 1.15 0.19 -3.67 5.41 -1.26 -4.07 119.36 117.00 1ddb n ILE 82 Ca 0.00 -0.78 -0.16 0.00 1.00 0.00 0.00 62.75 62.81 1ddb n ILE 82 Cb 0.00 -0.44 -0.08 0.00 -0.71 0.00 0.00 39.64 38.41 1ddb n ILE 82 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1ddb h ILE 83 N 0.00 0.15 -0.89 1.39 1.08 -1.99 -0.70 117.51 116.55 1ddb h ILE 83 Ca -0.41 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.18 1ddb h ILE 83 Cb 1.97 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 35.81 1ddb h ILE 83 CO 0.03 0.00 0.57 0.45 -0.69 0.00 0.00 178.15 178.51 1ddb h HIS 84 N -0.76 0.89 -0.64 1.37 3.86 -1.94 0.37 115.15 118.30 1ddb h HIS 84 Ca -0.01 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1ddb h HIS 84 Cb 0.72 -0.28 -0.08 0.00 1.06 0.00 0.00 27.41 28.83 1ddb h HIS 84 CO -0.30 0.36 0.24 -0.97 0.86 0.00 0.00 177.93 178.13 1ddb h ASN 85 N 0.78 0.24 -0.68 2.45 -1.24 -1.32 0.74 115.58 116.56 1ddb h ASN 85 Ca 0.44 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.52 1ddb h ASN 85 Cb 0.58 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 1ddb h ASN 85 CO -0.20 0.13 0.38 -0.29 -1.29 0.00 0.00 177.43 176.16 1ddb h ILE 86 N 0.42 1.21 -0.84 2.57 6.09 0.16 -0.94 117.51 126.18 1ddb h ILE 86 Ca 0.33 -0.51 0.11 0.00 -1.37 0.00 0.00 64.86 63.43 1ddb h ILE 86 Cb 0.43 0.31 -0.08 0.00 0.47 0.00 0.00 36.82 37.95 1ddb h ILE 86 CO -0.33 0.23 0.47 0.00 -3.07 0.00 0.00 178.15 175.44 1ddb h ALA 87 N 1.19 1.22 0.32 0.18 0.00 -0.37 0.16 119.26 121.96 1ddb h ALA 87 Ca 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ddb h ALA 87 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ddb h ALA 87 CO -0.04 0.04 -0.15 -0.09 0.00 0.00 0.00 179.25 179.01 1ddb h ARG 88 N 0.74 -0.41 0.00 0.00 2.43 -0.33 -2.11 114.38 114.70 1ddb h ARG 88 Ca 0.42 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1ddb h ARG 88 Cb 0.47 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ddb h ARG 88 CO -0.29 -0.13 0.08 1.25 -1.51 0.00 0.00 179.97 179.37 1ddb h HIS 89 N -0.67 0.00 0.22 2.20 2.76 -0.50 -2.54 115.15 116.62 1ddb h HIS 89 Ca -0.04 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1ddb h HIS 89 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1ddb h HIS 89 CO 0.00 0.00 -0.10 1.25 -1.30 0.00 0.00 177.93 177.78 1ddb h LEU 90 N 0.00 -0.24 -0.45 0.26 5.85 0.01 0.41 115.31 121.15 1ddb h LEU 90 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1ddb h LEU 90 Cb 0.16 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1ddb h LEU 90 CO 0.00 -0.17 -0.02 0.00 -0.34 0.00 0.00 178.44 177.91 1ddb h ALA 91 N -1.85 0.40 -0.98 1.25 0.00 -1.49 0.23 119.26 116.82 1ddb h ALA 91 Ca -0.03 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.25 1ddb h ALA 91 Cb 0.22 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1ddb h ALA 91 CO 0.05 -0.40 0.64 0.37 0.00 0.00 0.00 179.25 179.91 1ddb h GLN 92 N 0.09 0.41 0.00 0.00 4.15 -1.49 1.17 115.11 119.45 1ddb h GLN 92 Ca 0.22 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 1ddb h GLN 92 Cb 0.33 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1ddb h GLN 92 CO -0.39 0.27 -0.43 0.97 -1.93 0.00 0.00 178.83 177.32 1ddb h ILE 93 N 0.43 1.29 0.52 2.39 6.09 0.17 -2.25 117.51 126.14 1ddb h ILE 93 Ca 0.54 -1.50 -0.02 0.00 -1.37 0.00 0.00 64.86 62.50 1ddb h ILE 93 Cb 1.33 1.82 0.00 0.00 0.47 0.00 0.00 36.82 40.43 1ddb h ILE 93 CO -0.24 0.43 -0.27 1.23 -3.07 0.00 0.00 178.15 176.22 1ddb h GLY 94 N 1.35 -0.76 1.00 8.18 0.00 0.21 0.94 103.07 113.99 1ddb h GLY 94 Ca -0.00 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ddb h GLY 94 CO 0.06 -0.28 0.39 -1.80 0.00 0.00 0.00 176.54 174.91 1ddb h ASP 95 N -0.72 0.78 -0.76 0.19 1.82 -1.43 -2.02 116.42 114.27 1ddb h ASP 95 Ca -0.07 -0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.48 1ddb h ASP 95 Cb 0.57 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.34 1ddb h ASP 95 CO 0.10 0.61 0.35 -0.08 -1.61 0.00 0.00 179.24 178.62 1ddb h GLU 96 N 0.88 1.12 -0.41 0.28 4.22 -1.16 -2.82 114.58 116.69 1ddb h GLU 96 Ca 0.23 -0.17 0.08 0.00 0.08 0.00 0.00 59.36 59.59 1ddb h GLU 96 Cb -0.02 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 28.95 1ddb h GLU 96 CO -0.04 0.87 -0.14 0.00 -2.18 0.00 0.00 179.01 177.52 1ddb h MET 97 N 1.10 -0.05 -1.77 1.92 -0.00 0.17 0.20 114.93 116.50 1ddb h MET 97 Ca 0.26 0.00 0.51 0.00 -0.00 0.00 0.00 59.70 60.48 1ddb h MET 97 Cb 0.14 0.01 -0.07 0.00 -0.00 0.00 0.00 31.60 31.68 1ddb h MET 97 CO -0.03 -0.03 1.30 -0.40 -0.00 0.00 0.00 176.91 177.75 1ddb n ASP 98 N -5.34 0.00 -0.02 -0.10 5.75 -1.06 -0.62 116.55 115.15 1ddb n ASP 98 Ca 0.02 0.90 -0.01 0.00 -0.01 0.00 0.00 54.79 55.69 1ddb n ASP 98 Cb 0.25 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 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 -0.13 -1.88 2.11 2.76 -0.73 -3.38 115.15 113.90 1ddb h HIS 99 Ca 0.84 0.01 -0.34 0.00 -2.20 0.00 0.00 60.37 58.67 1ddb h HIS 99 Cb 3.43 0.07 -0.30 0.00 1.55 0.00 0.00 27.41 32.16 1ddb h HIS 99 CO 0.00 -0.03 -0.67 1.21 -1.30 0.00 0.00 177.93 177.14 1ddb s ASN 100 N -3.04 0.95 -0.42 3.26 3.84 0.20 -5.07 114.94 114.67 1ddb s ASN 100 Ca -0.01 -1.52 0.02 0.00 0.21 0.00 0.00 52.86 51.56 1ddb s ASN 100 Cb 0.01 0.67 0.14 0.00 -0.55 0.00 0.00 41.25 41.51 1ddb s ASN 100 CO 0.05 -0.25 0.23 -0.63 -2.79 0.00 0.00 177.10 173.71 1ddb s ILE 101 N 1.46 1.16 0.00 -5.21 -1.09 -1.18 -4.86 121.20 111.48 1ddb s ILE 101 Ca 0.17 -2.39 0.00 0.00 -2.23 0.00 0.00 60.65 56.20 1ddb s ILE 101 Cb -0.14 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.92 1ddb s ILE 101 CO -0.04 -0.91 0.00 0.00 -1.23 0.00 0.00 174.94 172.76 1ddb n GLN 102 N 3.65 0.00 0.24 2.79 10.64 -1.26 -3.63 117.38 129.80 1ddb n GLN 102 Ca 0.09 0.00 0.15 0.00 -1.83 0.00 0.00 57.00 55.41 1ddb n GLN 102 Cb 0.35 0.00 0.43 0.00 -0.86 0.00 0.00 30.24 30.16 1ddb n GLN 102 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1ddb h PRO 103 N 0.00 0.00 0.00 2.61 0.13 -1.99 -3.33 132.00 129.42 1ddb h PRO 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ddb h PRO 103 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ddb h PRO 103 CO 0.00 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.40 1ddb n THR 104 N -3.05 0.00 0.00 1.56 5.66 -1.26 -4.98 114.28 112.21 1ddb n THR 104 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1ddb n THR 104 Cb 0.41 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 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 7.94 -1.25 -5.02 117.00 119.75 1ddb n LEU 105 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ddb n LEU 105 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1ddb n LEU 105 CO 0.00 0.00 0.45 0.52 -1.11 0.00 0.00 177.39 177.25 1ddb n VAL 106 N -0.69 0.00 -0.29 1.96 0.31 -1.26 0.23 118.33 118.59 1ddb n VAL 106 Ca 0.00 1.39 0.14 0.00 -0.01 0.00 0.00 64.34 65.87 1ddb n VAL 106 Cb 0.00 -2.37 0.40 0.00 -0.91 0.00 0.00 33.84 30.96 1ddb n VAL 106 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1ddb h ARG 107 N 0.00 0.62 0.00 5.55 -0.00 -1.93 0.64 114.38 119.26 1ddb h ARG 107 Ca 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.91 1ddb h ARG 107 Cb 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 29.97 29.83 1ddb h ARG 107 CO 0.00 0.41 -0.16 1.96 -0.00 0.00 0.00 179.97 182.18 1ddb h GLN 108 N 0.64 0.00 0.00 0.08 1.08 -1.78 0.23 115.11 115.36 1ddb h GLN 108 Ca 0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1ddb h GLN 108 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ddb h GLN 108 CO -0.24 0.16 0.00 -0.11 -0.95 0.00 0.00 178.83 177.69 1ddb n LEU 109 N -3.94 0.22 -0.34 1.46 -0.00 0.22 -0.14 117.00 114.47 1ddb n LEU 109 Ca -0.02 0.72 0.08 0.00 -0.00 0.00 0.00 56.01 56.79 1ddb n LEU 109 Cb 0.25 -0.33 0.27 0.00 -0.00 0.00 0.00 43.42 43.61 1ddb n LEU 109 CO 0.33 -0.33 1.23 0.00 -0.00 0.00 0.00 177.39 178.62 1ddb h ALA 110 N -2.00 1.58 0.00 1.96 0.00 -1.54 0.78 119.26 120.03 1ddb h ALA 110 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ddb h ALA 110 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ddb h ALA 110 CO 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 1ddb h ALA 111 N 1.55 1.15 -0.11 0.00 0.00 -0.55 -2.42 119.26 118.87 1ddb h ALA 111 Ca 0.48 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1ddb h ALA 111 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ddb h ALA 111 CO -0.24 0.04 -0.05 -0.56 0.00 0.00 0.00 179.25 178.44 1ddb h GLN 112 N 0.00 -0.03 -0.43 0.00 -0.00 0.40 -2.66 115.11 112.39 1ddb h GLN 112 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.58 1ddb h GLN 112 Cb 0.20 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.67 1ddb h GLN 112 CO 0.00 -0.02 -0.03 0.27 -0.00 0.00 0.00 178.83 179.06 1ddb h PHE 113 N -0.03 0.86 0.00 0.06 -5.15 -1.47 -3.34 116.94 107.87 1ddb h PHE 113 Ca 0.06 -0.16 -0.18 0.00 -0.20 0.00 0.00 57.97 57.49 1ddb h PHE 113 Cb 0.12 -0.22 0.04 0.00 0.22 0.00 0.00 35.95 36.11 1ddb h PHE 113 CO -0.17 0.85 1.17 -0.12 -2.00 0.00 0.00 178.31 178.04 1ddb n MET 114 N -4.38 0.08 -3.94 6.09 1.56 -1.00 -4.69 117.12 110.84 1ddb n MET 114 Ca -0.00 -0.68 -0.09 0.00 -0.27 0.00 0.00 57.70 56.65 1ddb n MET 114 Cb 0.32 -2.16 -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 1.21 -0.73 0.00 0.00 175.97 176.45 1ddb s ASN 115 N 5.50 0.19 0.00 6.12 2.47 -1.25 -4.97 114.94 123.00 1ddb s ASN 115 Ca 0.21 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 52.97 1ddb s ASN 115 Cb 0.05 0.20 0.00 0.00 -1.45 0.00 0.00 41.25 40.05 1ddb s ASN 115 CO 0.10 -0.47 0.00 0.61 -3.72 0.00 0.00 177.10 173.62 1ddb n GLY 116 N 0.93 -1.72 2.72 1.21 0.00 -1.26 -4.83 105.19 102.24 1ddb n GLY 116 Ca -0.20 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 1ddb n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 117 N 0.26 -3.03 -0.03 1.61 7.64 -1.26 -5.04 113.62 113.76 1ddb n SER 117 Ca 0.00 -3.03 -0.01 0.00 1.01 0.00 0.00 58.87 56.84 1ddb n SER 117 Cb 0.00 1.62 -0.01 0.00 -1.01 0.00 0.00 64.21 64.81 1ddb n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ddb n LEU 118 N 2.42 -0.09 -3.07 -3.43 4.32 -1.26 -3.67 117.00 112.23 1ddb n LEU 118 Ca 0.15 0.77 -0.17 0.00 -0.02 0.00 0.00 56.01 56.74 1ddb n LEU 118 Cb 0.58 -0.33 -0.01 0.00 -1.62 0.00 0.00 43.42 42.04 1ddb n LEU 118 CO 0.01 -0.43 -0.11 -1.20 -1.22 0.00 0.00 177.39 174.44 1ddb n SER 119 N -2.96 -0.22 0.00 -1.43 7.64 -1.26 -4.91 113.62 110.48 1ddb n SER 119 Ca 0.00 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1ddb n SER 119 Cb 0.02 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ddb n SER 119 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ddb n GLU 120 N 0.70 -1.38 0.00 1.43 0.28 -1.24 -4.21 120.64 116.21 1ddb n GLU 120 Ca 0.19 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1ddb n GLU 120 Cb 0.63 -3.39 0.00 0.00 1.43 0.00 0.00 31.44 30.11 1ddb n GLU 120 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ddb n GLU 121 N 0.19 0.00 -0.79 3.44 2.13 -1.26 -4.84 120.64 119.51 1ddb n GLU 121 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1ddb n GLU 121 Cb 0.17 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.84 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ddb n ASP 122 N 0.00 -0.59 0.00 4.31 -0.08 -1.26 -5.05 116.55 113.89 1ddb n ASP 122 Ca 0.00 -1.57 0.00 0.00 -1.51 0.00 0.00 54.79 51.71 1ddb n ASP 122 Cb 0.00 0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1ddb n ASP 122 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ddb n LYS 123 N 0.00 0.00 0.00 -0.67 4.01 -1.26 -4.67 118.16 115.57 1ddb n LYS 123 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1ddb n LYS 123 Cb 0.61 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.13 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 0.00 0.00 -0.14 1.97 1.74 -1.26 -4.17 116.66 114.80 1ddb n ARG 124 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1ddb n ARG 124 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 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 0.98 0.26 0.55 -0.73 -1.98 -1.53 115.58 113.13 1ddb h ASN 125 Ca 0.00 -0.37 0.01 0.00 1.87 0.00 0.00 56.30 57.80 1ddb h ASN 125 Cb 0.00 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.29 1ddb h ASN 125 CO 0.00 1.16 -0.38 0.00 -0.37 0.00 0.00 177.43 177.84 1ddb h LEU 127 N -0.71 -0.72 -1.07 0.00 -0.00 -1.88 0.14 115.31 111.07 1ddb h LEU 127 Ca -0.01 0.07 0.30 0.00 -0.00 0.00 0.00 57.88 58.24 1ddb h LEU 127 Cb 0.68 0.25 -0.13 0.00 -0.00 0.00 0.00 40.66 41.45 1ddb h LEU 127 CO -0.14 -0.30 0.61 0.00 -0.00 0.00 0.00 178.44 178.61 1ddb h ALA 128 N -1.23 1.99 0.00 0.17 0.00 -1.13 3.47 119.26 122.54 1ddb h ALA 128 Ca -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ddb h ALA 128 Cb 0.40 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ddb h ALA 128 CO -0.08 -0.55 -0.10 0.87 0.00 0.00 0.00 179.25 179.40 1ddb h LYS 129 N 0.39 0.00 -0.26 0.00 1.57 0.27 -1.73 116.57 116.81 1ddb h LYS 129 Ca 0.70 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.30 1ddb h LYS 129 Cb 1.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 1ddb h LYS 129 CO -0.52 0.10 -0.54 0.00 -0.57 0.00 0.00 179.45 177.91 1ddb h ALA 130 N 1.90 0.54 -0.85 3.86 0.00 0.92 -2.69 119.26 122.93 1ddb h ALA 130 Ca -0.00 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1ddb h ALA 130 Cb 0.35 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1ddb h ALA 130 CO 0.01 0.68 0.50 1.25 0.00 0.00 0.00 179.25 181.70 1ddb h LEU 131 N 0.61 0.74 0.77 0.00 6.46 -0.73 0.80 115.31 123.97 1ddb h LEU 131 Ca 0.01 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1ddb h LEU 131 Cb 1.13 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.96 1ddb h LEU 131 CO 0.12 0.43 -0.37 0.44 -0.62 0.00 0.00 178.44 178.44 1ddb h ASP 132 N 0.86 -0.88 0.28 1.25 5.19 -1.46 1.52 116.42 123.18 1ddb h ASP 132 Ca 0.40 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1ddb h ASP 132 Cb 0.33 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1ddb h ASP 132 CO -0.23 -0.59 -0.51 1.05 -3.12 0.00 0.00 179.24 175.84 1ddb h GLU 133 N -1.11 -0.81 -0.82 3.56 4.11 -1.13 0.64 114.58 119.02 1ddb h GLU 133 Ca -0.11 0.06 0.10 0.00 0.07 0.00 0.00 59.36 59.48 1ddb h GLU 133 Cb 0.80 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1ddb h GLU 133 CO 0.17 -0.54 0.46 -0.24 0.07 0.00 0.00 179.01 178.93 1ddb h VAL 134 N -0.84 0.90 -0.29 -1.06 3.04 0.58 0.91 116.25 119.48 1ddb h VAL 134 Ca -0.03 -0.26 -0.10 0.00 -1.01 0.00 0.00 66.70 65.30 1ddb h VAL 134 Cb 0.79 0.06 -0.06 0.00 -2.01 0.00 0.00 31.29 30.07 1ddb h VAL 134 CO -0.18 0.14 0.12 1.17 -1.01 0.00 0.00 177.57 177.81 1ddb n LYS 135 N -4.76 1.93 -0.72 4.17 4.81 0.52 -3.33 118.16 120.79 1ddb n LYS 135 Ca 0.13 -1.13 -0.03 0.00 -0.87 0.00 0.00 58.31 56.42 1ddb n LYS 135 Cb 0.28 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 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 0.06 0.00 0.07 3.15 5.66 0.21 -4.85 114.28 118.59 1ddb n THR 136 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1ddb n THR 136 Cb 0.77 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 0.00 3.00 -2.54 1.79 0.00 0.26 -4.86 120.51 118.16 1ddb n ALA 137 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 1ddb n ALA 137 Cb 0.58 0.10 0.02 0.00 0.00 0.00 0.00 19.45 20.15 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -3.16 2.14 -1.54 0.00 -1.74 -1.21 -5.08 117.46 106.87 1ddb n PHE 138 Ca 0.00 -2.73 -0.29 0.00 -0.56 0.00 0.00 57.45 53.87 1ddb n PHE 138 Cb 0.06 -0.25 0.14 0.00 1.52 0.00 0.00 39.48 40.94 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 -3.43 1.14 0.00 3.97 0.04 -1.25 -4.54 135.00 130.94 1ddb s PRO 139 Ca 0.37 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1ddb s PRO 139 Cb 0.41 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 33.11 1ddb s PRO 139 CO -0.05 -2.20 0.00 0.54 0.04 0.00 0.00 177.00 175.33 1ddb n ARG 140 N -3.76 0.00 0.00 4.56 1.74 -1.26 -4.84 116.66 113.09 1ddb n ARG 140 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ddb n ARG 140 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddb n ASP 141 N 0.00 0.00 -0.18 0.55 8.00 -1.26 -4.68 116.55 118.98 1ddb n ASP 141 Ca 0.00 0.00 0.25 0.00 0.71 0.00 0.00 54.79 55.75 1ddb n ASP 141 Cb 0.00 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 41.76 1ddb n ASP 141 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1ddb h MET 142 N 0.00 0.11 0.43 -1.24 1.85 -2.01 3.11 114.93 117.18 1ddb h MET 142 Ca 0.00 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 1ddb h MET 142 Cb 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1ddb h MET 142 CO 0.00 0.08 -0.21 1.49 -0.40 0.00 0.00 176.91 177.87 1ddb h GLU 143 N 0.12 -0.56 0.24 0.39 4.81 -1.97 -2.05 114.58 115.55 1ddb h GLU 143 Ca 0.42 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1ddb h GLU 143 Cb 1.47 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1ddb h GLU 143 CO -0.06 -0.37 -0.11 -0.91 -0.73 0.00 0.00 179.01 176.82 1ddb h ASN 144 N -0.86 -0.27 -0.98 1.04 -0.26 -1.62 -3.02 115.58 109.60 1ddb h ASN 144 Ca -0.06 -0.15 0.14 0.00 -0.56 0.00 0.00 56.30 55.67 1ddb h ASN 144 Cb 0.45 0.07 -0.15 0.00 -1.06 0.00 0.00 38.32 37.62 1ddb h ASN 144 CO 0.10 0.24 -0.41 -0.78 -1.06 0.00 0.00 177.43 175.51 1ddb h ASP 145 N -1.02 -1.52 -0.54 5.81 1.82 0.55 3.95 116.42 125.47 1ddb h ASP 145 Ca -0.03 0.31 0.16 0.00 -0.39 0.00 0.00 57.03 57.08 1ddb h ASP 145 Cb 0.40 0.78 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 1ddb h ASP 145 CO 0.05 -0.28 0.42 0.50 -1.61 0.00 0.00 179.24 178.33 1ddb h LYS 146 N -0.01 0.00 -0.18 0.28 1.63 -1.34 -0.12 116.57 116.83 1ddb h LYS 146 Ca 0.32 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.17 1ddb h LYS 146 Cb 0.57 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.15 1ddb h LYS 146 CO -0.97 0.00 -0.18 0.00 -3.45 0.00 0.00 179.45 174.84 1ddb h ALA 147 N 1.66 -0.07 -0.05 5.00 0.00 0.77 0.79 119.26 127.37 1ddb h ALA 147 Ca 0.26 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1ddb h ALA 147 Cb 1.10 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1ddb h ALA 147 CO -0.00 -0.62 -0.27 0.52 0.00 0.00 0.00 179.25 178.88 1ddb h MET 148 N -0.20 -0.37 -0.55 0.00 2.86 -0.80 -0.08 114.93 115.79 1ddb h MET 148 Ca 0.12 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1ddb h MET 148 Cb 0.38 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1ddb h MET 148 CO -0.31 -0.25 0.31 1.25 1.06 0.00 0.00 176.91 178.98 1ddb h LEU 149 N -0.38 0.48 -2.02 1.22 5.85 -1.36 0.91 115.31 120.01 1ddb h LEU 149 Ca 0.08 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1ddb h LEU 149 Cb 0.49 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ddb h LEU 149 CO -0.26 0.33 0.38 -0.29 -0.34 0.00 0.00 178.44 178.26 1ddb h ILE 150 N 0.61 0.66 0.17 4.05 6.09 0.15 -1.04 117.51 128.21 1ddb h ILE 150 Ca 0.23 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 1ddb h ILE 150 Cb 0.08 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 1ddb h ILE 150 CO -0.13 0.00 -0.14 0.24 -3.07 0.00 0.00 178.15 175.05 1ddb h MET 151 N 0.00 -0.32 -0.78 2.19 2.86 0.10 -0.58 114.93 118.40 1ddb h MET 151 Ca 0.23 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.08 1ddb h MET 151 Cb 0.99 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 32.58 1ddb h MET 151 CO -0.00 -0.21 0.04 0.00 1.06 0.00 0.00 176.91 177.79 1ddb h THR 152 N -0.33 0.33 0.00 2.22 1.03 -1.15 1.42 112.91 116.43 1ddb h THR 152 Ca -0.00 -0.04 -0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1ddb h THR 152 Cb 0.30 0.20 -0.00 0.00 -1.07 0.00 0.00 68.15 67.58 1ddb h THR 152 CO -0.02 0.02 -0.02 0.24 -0.01 0.00 0.00 175.52 175.73 1ddb h MET 153 N 0.12 0.00 0.26 0.00 2.07 -1.45 -3.10 114.93 112.82 1ddb h MET 153 Ca 0.44 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 58.05 1ddb h MET 153 Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 1ddb h MET 153 CO -0.67 0.02 -0.12 1.37 1.07 0.00 0.00 176.91 178.58 1ddb h LEU 154 N 0.00 -0.29 0.09 1.22 8.10 0.36 3.36 115.31 128.15 1ddb h LEU 154 Ca -0.00 -0.05 0.02 0.00 0.11 0.00 0.00 57.88 57.96 1ddb h LEU 154 Cb 0.57 0.08 -0.04 0.00 -0.44 0.00 0.00 40.66 40.83 1ddb h LEU 154 CO 0.00 -0.14 -0.32 -0.07 -4.11 0.00 0.00 178.44 173.81 1ddb h LEU 155 N -0.42 -0.92 0.22 0.17 -0.00 -1.36 0.69 115.31 113.68 1ddb h LEU 155 Ca -0.04 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1ddb h LEU 155 Cb 0.32 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1ddb h LEU 155 CO 0.06 -0.40 -0.11 0.00 -0.00 0.00 0.00 178.44 177.99 1ddb h ALA 156 N 0.14 -0.30 -0.70 1.53 0.00 -1.53 4.01 119.26 122.41 1ddb h ALA 156 Ca 0.04 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1ddb h ALA 156 Cb 0.57 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 1ddb h ALA 156 CO -0.20 -0.56 -0.21 -0.22 0.00 0.00 0.00 179.25 178.05 1ddb h LYS 157 N -0.51 -0.03 0.03 0.00 1.63 0.66 0.04 116.57 118.38 1ddb h LYS 157 Ca -0.03 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ddb h LYS 157 Cb 0.38 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1ddb h LYS 157 CO 0.05 -0.02 -0.01 0.87 -3.45 0.00 0.00 179.45 176.89 1ddb h LYS 158 N -0.03 -0.04 -6.48 1.90 1.79 0.56 -2.97 116.57 111.31 1ddb h LYS 158 Ca 0.33 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.27 1ddb h LYS 158 Cb 0.54 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1ddb h LYS 158 CO -0.74 0.66 -0.11 0.08 -1.08 0.00 0.00 179.45 178.25 1ddb s VAL 159 N -2.58 4.96 0.00 0.50 1.01 1.32 0.78 120.40 126.39 1ddb s VAL 159 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1ddb s VAL 159 Cb -0.01 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1ddb s VAL 159 CO 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.46 1ddb n ALA 160 N -0.51 0.00 1.03 5.51 0.00 0.70 -3.84 120.51 123.41 1ddb n ALA 160 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ddb n ALA 160 Cb 0.53 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.20 1ddb n ALA 160 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ddb n SER 161 N 1.34 0.64 0.00 0.00 2.88 -0.07 -4.61 113.62 113.80 1ddb n SER 161 Ca 0.00 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1ddb n SER 161 Cb 0.00 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1ddb n SER 161 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ddb n HIS 162 N -1.39 0.00 -3.90 0.66 -0.00 0.18 -4.85 115.22 105.92 1ddb n HIS 162 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.45 1ddb n HIS 162 Cb 0.34 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.20 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb s ALA 163 N -1.00 3.14 -0.71 -1.41 0.00 4.10 -4.84 121.76 121.04 1ddb s ALA 163 Ca 0.00 -2.77 -0.06 0.00 0.00 0.00 0.00 51.96 49.12 1ddb s ALA 163 Cb 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 23.12 20.78 1ddb s ALA 163 CO 0.00 -1.84 2.63 -0.35 0.00 0.00 0.00 175.76 176.20 1ddb n PRO 164 N 4.03 2.24 -0.00 0.00 -0.04 -1.26 0.25 135.00 140.21 1ddb n PRO 164 Ca 0.03 -1.34 0.06 0.00 -0.04 0.00 0.00 63.50 62.20 1ddb n PRO 164 Cb 0.39 -2.29 -0.08 0.00 -0.04 0.00 0.00 33.50 31.48 1ddb n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ddb n SER 165 N 3.39 1.35 -3.77 3.54 3.41 -1.26 -4.92 113.62 115.35 1ddb n SER 165 Ca 0.48 -0.42 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1ddb n SER 165 Cb 0.39 1.24 -0.14 0.00 -0.26 0.00 0.00 64.21 65.44 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ddb s LEU 166 N -3.10 0.96 0.00 1.04 1.02 -1.25 -4.79 118.68 112.57 1ddb s LEU 166 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.43 1ddb s LEU 166 Cb 0.08 0.37 0.00 0.00 0.02 0.00 0.00 46.19 46.66 1ddb s LEU 166 CO 0.47 -0.12 0.00 -0.11 0.02 0.00 0.00 176.35 176.61 1ddb n LEU 167 N 3.86 0.00 -0.13 1.79 7.94 -1.26 -3.94 117.00 125.26 1ddb n LEU 167 Ca -0.22 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.78 1ddb n LEU 167 Cb 0.54 0.00 0.44 0.00 0.53 0.00 0.00 43.42 44.93 1ddb n LEU 167 CO 0.19 0.00 1.20 0.08 -1.11 0.00 0.00 177.39 177.75 1ddb h ARG 168 N 0.00 0.53 -0.40 1.96 0.11 -1.91 -0.56 114.38 114.12 1ddb h ARG 168 Ca 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1ddb h ARG 168 Cb 0.00 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 30.94 1ddb h ARG 168 CO 0.00 0.35 0.24 0.22 0.10 0.00 0.00 179.97 180.89 1ddb h ASP 169 N 0.55 0.48 -0.23 0.08 3.58 -1.95 0.45 116.42 119.39 1ddb h ASP 169 Ca 0.30 -0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.73 1ddb h ASP 169 Cb 0.45 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1ddb h ASP 169 CO -0.10 0.40 -0.02 1.62 -2.88 0.00 0.00 179.24 178.27 1ddb h VAL 170 N 0.53 0.82 0.41 2.25 3.04 -1.27 0.44 116.25 122.47 1ddb h VAL 170 Ca 0.14 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.80 1ddb h VAL 170 Cb 0.00 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1ddb h VAL 170 CO -0.03 0.01 -0.20 0.15 -1.01 0.00 0.00 177.57 176.49 1ddb h PHE 171 N 0.05 -0.51 -0.07 3.17 3.57 -0.99 -1.96 116.94 120.20 1ddb h PHE 171 Ca 0.11 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1ddb h PHE 171 Cb 0.14 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1ddb h PHE 171 CO -0.20 -0.26 0.16 1.25 -2.23 0.00 0.00 178.31 177.03 1ddb h HIS 172 N -0.66 0.00 -0.05 0.41 2.76 0.14 -0.78 115.15 116.96 1ddb h HIS 172 Ca -0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 1ddb h HIS 172 Cb 0.48 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 1ddb h HIS 172 CO -0.02 0.00 -0.00 1.15 -1.30 0.00 0.00 177.93 177.76 1ddb h THR 173 N 0.00 1.25 0.20 6.26 2.02 0.65 0.81 112.91 124.11 1ddb h THR 173 Ca 0.04 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1ddb h THR 173 Cb 0.35 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1ddb h THR 173 CO -0.00 0.21 -0.10 0.00 0.37 0.00 0.00 175.52 176.00 1ddb h THR 174 N -0.20 0.81 0.00 3.16 1.03 -0.86 -0.36 112.91 116.49 1ddb h THR 174 Ca 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1ddb h THR 174 Cb 0.34 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1ddb h THR 174 CO 0.00 0.01 0.00 0.52 -0.01 0.00 0.00 175.52 176.05 1ddb n VAL 175 N -5.20 0.00 0.00 0.00 0.31 -0.98 -3.10 118.33 109.36 1ddb n VAL 175 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.21 1ddb n VAL 175 Cb 0.14 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 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 -0.10 0.17 4.52 -1.24 0.97 -2.05 115.58 117.84 1ddb h ASN 176 Ca 0.00 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 56.95 1ddb h ASN 176 Cb 0.00 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1ddb h ASN 176 CO 0.00 0.42 -0.37 -0.26 -1.29 0.00 0.00 177.43 175.92 1ddb h PHE 177 N -1.02 -1.03 -0.94 0.67 -1.00 -1.46 1.16 116.94 113.32 1ddb h PHE 177 Ca -0.01 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.89 1ddb h PHE 177 Cb 0.18 0.43 -0.07 0.00 3.61 0.00 0.00 35.95 40.10 1ddb h PHE 177 CO 0.02 -0.49 0.60 -0.84 -1.61 0.00 0.00 178.31 176.00 1ddb h ILE 178 N -0.64 0.98 -0.54 -0.55 -2.65 -1.73 2.15 117.51 114.53 1ddb h ILE 178 Ca 0.02 -0.33 -0.11 0.00 1.03 0.00 0.00 64.86 65.46 1ddb h ILE 178 Cb 0.65 -0.07 -0.02 0.00 -2.05 0.00 0.00 36.82 35.33 1ddb h ILE 178 CO -0.19 0.18 -0.10 -1.13 0.03 0.00 0.00 178.15 176.94 1ddb h ASN 179 N 0.97 1.01 0.89 2.16 -1.24 -0.48 -1.08 115.58 117.81 1ddb h ASN 179 Ca 0.44 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1ddb h ASN 179 Cb 0.38 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1ddb h ASN 179 CO -0.20 1.12 -0.15 0.00 -1.29 0.00 0.00 177.43 176.92 1ddb n GLN 180 N -4.17 0.02 0.00 6.67 1.13 0.39 -4.69 117.38 116.73 1ddb n GLN 180 Ca 0.01 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1ddb n GLN 180 Cb 0.39 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.22 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 -1.56 0.00 -1.91 1.08 4.05 0.71 -4.94 115.26 112.68 1ddb n ASN 181 Ca 0.06 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.91 1ddb n ASN 181 Cb 0.35 0.00 0.07 0.00 1.23 0.00 0.00 39.78 41.43 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 6.25 -1.84 1.20 4.77 -1.25 -4.79 117.00 121.34 1ddb n LEU 182 Ca 0.00 -3.27 -0.02 0.00 -0.03 0.00 0.00 56.01 52.69 1ddb n LEU 182 Cb 0.00 -0.92 -0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1ddb n LEU 182 CO 0.00 1.13 -0.01 0.33 -1.33 0.00 0.00 177.39 177.51 1ddb n PHE 183 N -0.14 -1.21 0.00 -1.77 7.35 -0.47 -4.27 117.46 116.95 1ddb n PHE 183 Ca 0.37 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1ddb n PHE 183 Cb 0.81 -0.65 0.00 0.00 0.35 0.00 0.00 39.48 39.98 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 -0.95 0.00 -4.16 -2.13 7.64 -1.26 -4.99 113.62 107.77 1ddb n SER 184 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1ddb n SER 184 Cb 0.31 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb n TYR 185 N 0.00 -3.75 -0.49 1.43 9.36 -1.26 -4.04 117.16 118.42 1ddb n TYR 185 Ca 0.00 0.21 0.40 0.00 3.32 0.00 0.00 57.90 61.83 1ddb n TYR 185 Cb 0.00 -1.59 0.67 0.00 -0.63 0.00 0.00 39.34 37.78 1ddb n TYR 185 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1ddb n VAL 186 N -2.12 -0.20 0.14 2.97 0.24 -1.26 0.19 118.33 118.28 1ddb n VAL 186 Ca 0.03 1.67 -0.13 0.00 -2.04 0.00 0.00 64.34 63.87 1ddb n VAL 186 Cb 0.52 -2.74 -0.07 0.00 -1.47 0.00 0.00 33.84 30.08 1ddb n VAL 186 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ddb h ARG 187 N 0.00 -0.32 -0.71 7.34 2.43 -2.00 -1.42 114.38 119.70 1ddb h ARG 187 Ca 0.85 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 60.12 1ddb h ARG 187 Cb 2.85 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 32.41 1ddb h ARG 187 CO -0.37 -0.21 0.38 -0.91 -1.51 0.00 0.00 179.97 177.34 1ddb h ASN 188 N -0.33 0.52 -0.67 -3.80 2.35 0.19 -0.21 115.58 113.63 1ddb h ASN 188 Ca -0.01 0.05 0.11 0.00 -0.55 0.00 0.00 56.30 55.90 1ddb h ASN 188 Cb 0.29 -0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.53 1ddb h ASN 188 CO -0.00 0.31 0.26 0.25 -1.65 0.00 0.00 177.43 176.60 1ddb h LEU 189 N 0.66 0.25 -0.34 1.61 5.85 -0.84 0.49 115.31 122.99 1ddb h LEU 189 Ca 0.34 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.19 1ddb h LEU 189 Cb 0.31 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1ddb h LEU 189 CO -0.24 0.13 0.13 0.58 -0.34 0.00 0.00 178.44 178.70 1ddb h VAL 190 N 0.43 0.92 -0.68 1.05 2.07 0.01 -1.40 116.25 118.66 1ddb h VAL 190 Ca 0.35 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1ddb h VAL 190 Cb 0.47 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1ddb h VAL 190 CO -0.34 0.05 0.36 0.03 0.02 0.00 0.00 177.57 177.68 1ddb h ARG 191 N 0.28 0.62 -0.25 1.57 2.47 -0.23 -1.72 114.38 117.12 1ddb h ARG 191 Ca 0.15 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.88 1ddb h ARG 191 Cb 0.11 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 1ddb h ARG 191 CO -0.15 0.41 -0.04 -0.97 0.56 0.00 0.00 179.97 179.78 1ddb h ASN 192 N 0.64 -0.19 -1.24 7.04 -1.24 -0.10 -3.47 115.58 117.02 1ddb h ASN 192 Ca 0.32 0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.44 1ddb h ASN 192 Cb 0.26 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1ddb h ASN 192 CO -0.22 -0.06 -0.06 -0.62 -1.29 0.00 0.00 177.43 175.18 1ddb n GLU 193 N -5.20 -0.34 -3.60 6.67 1.02 -0.61 -4.96 120.64 113.61 1ddb n GLU 193 Ca -0.01 0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 57.19 1ddb n GLU 193 Cb 0.14 -0.42 -0.07 0.00 -0.02 0.00 0.00 31.44 31.08 1ddb n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ddb s MET 194 N -0.26 0.90 0.00 3.49 0.23 -1.26 -5.04 119.30 117.36 1ddb s MET 194 Ca 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 55.69 55.04 1ddb s MET 194 Cb 0.00 0.42 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1ddb s MET 194 CO 0.00 -0.23 0.00 -0.25 -2.03 0.00 0.00 175.02 172.51