#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb n ASP 2 N 0.00 -2.22 0.02 7.83 5.75 -1.26 -4.96 116.55 121.71 1ddb n ASP 2 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1ddb n ASP 2 Cb 0.00 -0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 39.63 1ddb n ASP 2 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1ddb h SER 3 N 0.00 -1.58 -2.29 -1.12 0.87 -2.13 -3.42 113.55 103.88 1ddb h SER 3 Ca 0.00 0.18 -0.53 0.00 -1.23 0.00 0.00 61.79 60.22 1ddb h SER 3 Cb 0.00 0.61 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 1ddb h SER 3 CO 0.00 -0.46 -0.56 -1.61 -0.53 0.00 0.00 176.83 173.67 1ddb s GLU 4 N -5.51 2.79 0.27 2.24 8.01 -1.26 -5.14 118.70 120.11 1ddb s GLU 4 Ca -0.14 -1.09 0.04 0.00 0.01 0.00 0.00 54.97 53.78 1ddb s GLU 4 Cb 0.06 -2.50 -0.06 0.00 -4.31 0.00 0.00 34.13 27.33 1ddb s GLU 4 CO 0.56 0.41 0.00 0.14 0.01 0.00 0.00 175.26 176.39 1ddb s VAL 5 N -2.10 1.19 -0.38 2.63 -7.23 -1.26 -5.13 120.40 108.12 1ddb s VAL 5 Ca 0.32 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1ddb s VAL 5 Cb -0.08 -2.50 0.18 0.00 0.56 0.00 0.00 36.38 34.54 1ddb s VAL 5 CO 0.24 -0.22 0.62 -0.55 -0.31 0.00 0.00 175.10 174.88 1ddb s SER 6 N -3.39 -1.55 -0.11 4.85 0.15 -1.26 -5.15 113.70 107.25 1ddb s SER 6 Ca 0.31 -0.57 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 1ddb s SER 6 Cb 0.06 1.98 0.09 0.00 -1.71 0.00 0.00 66.02 66.44 1ddb s SER 6 CO 0.11 -0.20 0.81 0.54 1.20 0.00 0.00 173.24 175.71 1ddb s ASN 7 N 2.06 -0.55 0.00 5.45 2.20 -1.26 -5.09 114.94 117.75 1ddb s ASN 7 Ca 0.15 0.65 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 1ddb s ASN 7 Cb -0.05 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.71 1ddb s ASN 7 CO -0.11 -0.48 0.00 0.61 -2.94 0.00 0.00 177.10 174.18 1ddb n GLY 8 N 0.99 0.77 2.71 0.45 0.00 -1.26 -5.13 105.19 103.72 1ddb n GLY 8 Ca -0.15 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1ddb n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ddb s SER 9 N 0.00 3.87 -0.20 1.61 0.15 -1.26 -5.10 113.70 112.77 1ddb s SER 9 Ca 0.00 -1.90 -0.20 0.00 0.70 0.00 0.00 55.95 54.54 1ddb s SER 9 Cb 0.00 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 1ddb s SER 9 CO 0.00 -0.37 0.61 -0.83 1.20 0.00 0.00 173.24 173.84 1ddb s GLY 10 N 1.29 2.06 0.11 9.45 0.00 -1.26 -5.06 107.32 113.91 1ddb s GLY 10 Ca 0.12 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.63 1ddb s GLY 10 CO -0.18 1.26 -0.15 1.08 0.00 0.00 0.00 173.10 175.11 1ddb s LEU 11 N 1.84 2.83 0.42 0.66 1.43 -1.26 -5.09 118.68 119.51 1ddb s LEU 11 Ca 0.28 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 1ddb s LEU 11 Cb -0.16 -1.65 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 1ddb s LEU 11 CO 0.10 0.18 1.02 0.61 0.23 0.00 0.00 176.35 178.49 1ddb n GLY 12 N 0.80 -0.18 3.58 -3.19 0.00 -1.26 -4.96 105.19 99.98 1ddb n GLY 12 Ca -0.15 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb s ALA 13 N -1.28 0.38 -0.15 4.61 0.00 -1.26 -4.83 121.76 119.23 1ddb s ALA 13 Ca 0.63 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1ddb s ALA 13 Cb -0.55 -3.05 0.05 0.00 0.00 0.00 0.00 23.12 19.57 1ddb s ALA 13 CO 0.57 -3.44 0.01 0.15 0.00 0.00 0.00 175.76 173.05 1ddb s LYS 14 N -5.01 0.76 0.06 0.00 -0.14 -1.26 -5.02 119.74 109.13 1ddb s LYS 14 Ca 0.68 -0.28 -0.24 0.00 -1.36 0.00 0.00 55.97 54.77 1ddb s LYS 14 Cb -0.17 -1.77 -0.16 0.00 -1.68 0.00 0.00 37.83 34.06 1ddb s LYS 14 CO 0.58 -0.51 1.60 1.25 -0.76 0.00 0.00 175.35 177.52 1ddb h HIS 15 N 8.25 0.03 -0.21 3.18 -0.00 -1.97 -0.69 115.15 123.74 1ddb h HIS 15 Ca -0.18 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.24 1ddb h HIS 15 Cb 1.12 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.47 1ddb h HIS 15 CO 0.36 0.16 -0.14 0.97 -0.00 0.00 0.00 177.93 179.29 1ddb h ILE 16 N -0.12 0.60 -0.55 6.26 -0.00 -2.00 -1.37 117.51 120.32 1ddb h ILE 16 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 64.96 1ddb h ILE 16 Cb 0.15 0.60 -0.07 0.00 -0.00 0.00 0.00 36.82 37.49 1ddb h ILE 16 CO -0.00 0.00 0.16 0.74 -0.00 0.00 0.00 178.15 179.05 1ddb h THR 17 N -0.13 0.74 -1.00 2.19 2.02 -1.87 0.73 112.91 115.59 1ddb h THR 17 Ca 0.12 -0.11 0.26 0.00 0.77 0.00 0.00 66.41 67.45 1ddb h THR 17 Cb 0.31 0.40 -0.13 0.00 -1.74 0.00 0.00 68.15 66.99 1ddb h THR 17 CO -0.29 0.06 0.59 -0.78 0.37 0.00 0.00 175.52 175.46 1ddb h ASP 18 N 0.32 0.65 0.45 4.18 1.82 -0.01 2.05 116.42 125.88 1ddb h ASP 18 Ca 0.28 0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 57.00 1ddb h ASP 18 Cb 0.36 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1ddb h ASP 18 CO -0.32 0.07 -0.29 -0.07 -1.61 0.00 0.00 179.24 177.02 1ddb h LEU 19 N 0.54 0.00 -0.39 2.28 -0.00 -0.40 -2.46 115.31 114.89 1ddb h LEU 19 Ca 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.51 1ddb h LEU 19 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 1ddb h LEU 19 CO -0.50 0.29 0.13 0.25 -0.00 0.00 0.00 178.44 178.61 1ddb h LEU 20 N 0.00 0.56 0.73 1.67 7.12 0.38 1.93 115.31 127.70 1ddb h LEU 20 Ca -0.00 -0.20 -0.04 0.00 0.13 0.00 0.00 57.88 57.78 1ddb h LEU 20 Cb 0.59 -0.15 0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1ddb h LEU 20 CO 0.04 0.60 -0.35 1.62 -0.13 0.00 0.00 178.44 180.22 1ddb h VAL 21 N 0.48 0.00 -0.37 1.05 3.04 -0.95 3.10 116.25 122.60 1ddb h VAL 21 Ca 0.13 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.75 1ddb h VAL 21 Cb 0.24 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.50 1ddb h VAL 21 CO -0.01 0.00 0.18 0.15 -1.01 0.00 0.00 177.57 176.89 1ddb h PHE 22 N -1.04 0.49 0.05 3.17 3.57 -1.45 -2.14 116.94 119.59 1ddb h PHE 22 Ca -0.10 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.15 1ddb h PHE 22 Cb 0.76 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1ddb h PHE 22 CO 0.05 0.36 -1.05 0.78 -2.23 0.00 0.00 178.31 176.22 1ddb h GLY 23 N 0.61 0.42 0.19 2.40 0.00 0.32 -3.02 103.07 103.99 1ddb h GLY 23 Ca 0.13 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.65 1ddb h GLY 23 CO -0.02 0.73 -0.48 -2.75 0.00 0.00 0.00 176.54 174.02 1ddb h PHE 24 N 0.18 -1.38 -0.70 5.60 3.04 0.63 0.11 116.94 124.42 1ddb h PHE 24 Ca -0.10 0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.92 1ddb h PHE 24 Cb 1.72 0.59 -0.05 0.00 2.56 0.00 0.00 35.95 40.77 1ddb h PHE 24 CO 0.06 -0.57 0.43 -0.07 -2.02 0.00 0.00 178.31 176.14 1ddb h LEU 25 N -0.72 0.68 -1.81 0.59 4.07 -1.63 0.04 115.31 116.54 1ddb h LEU 25 Ca 0.01 0.01 0.16 0.00 0.08 0.00 0.00 57.88 58.14 1ddb h LEU 25 Cb 0.73 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.30 1ddb h LEU 25 CO -0.27 0.46 0.46 -0.61 -1.08 0.00 0.00 178.44 177.41 1ddb h GLN 26 N 0.82 0.18 0.00 1.13 4.15 -1.19 -3.24 115.11 116.97 1ddb h GLN 26 Ca 0.29 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1ddb h GLN 26 Cb 0.08 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1ddb h GLN 26 CO -0.13 0.12 0.00 0.45 -1.93 0.00 0.00 178.83 177.34 1ddb n SER 27 N -4.42 0.00 -0.51 -0.69 2.88 0.30 -4.88 113.62 106.31 1ddb n SER 27 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ddb n SER 27 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1ddb n SER 27 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ddb n SER 28 N 0.00 0.01 0.00 -3.46 7.64 -1.17 -4.94 113.62 111.70 1ddb n SER 28 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1ddb n SER 28 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1ddb n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ddb n GLY 29 N 0.00 -2.09 0.00 0.23 0.00 -1.10 -4.57 105.19 97.66 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 0.14 0.11 0.20 0.00 2.01 -1.26 -4.97 115.64 111.88 1ddb s THR 31 Ca 0.00 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 1ddb s THR 31 Cb 0.00 -0.48 0.16 0.00 0.01 0.00 0.00 72.50 72.19 1ddb s THR 31 CO 0.00 -0.51 1.57 0.03 -0.69 0.00 0.00 174.62 175.01 1ddb h ARG 32 N 4.30 -0.08 -0.08 4.92 -0.00 -1.92 2.06 114.38 123.58 1ddb h ARG 32 Ca -0.32 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.19 1ddb h ARG 32 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 31.18 1ddb h ARG 32 CO 0.44 -0.05 0.08 0.37 0.00 0.00 0.00 179.97 180.81 1ddb h GLN 33 N -0.08 0.00 0.47 0.04 4.15 -1.96 -2.34 115.11 115.39 1ddb h GLN 33 Ca 0.28 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1ddb h GLN 33 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1ddb h GLN 33 CO -0.84 0.00 -0.23 1.49 -1.93 0.00 0.00 178.83 177.32 1ddb h GLU 34 N 0.00 -0.61 -1.04 1.69 4.57 0.29 0.43 114.58 119.91 1ddb h GLU 34 Ca 0.04 0.04 0.34 0.00 -1.18 0.00 0.00 59.36 58.60 1ddb h GLU 34 Cb 0.21 0.14 -0.15 0.00 -0.16 0.00 0.00 28.75 28.79 1ddb h GLU 34 CO -0.00 -0.31 0.61 1.25 -1.18 0.00 0.00 179.01 179.38 1ddb h LEU 35 N -0.96 0.47 0.11 1.64 7.12 -0.66 1.20 115.31 124.22 1ddb h LEU 35 Ca -0.06 0.18 -0.29 0.00 0.13 0.00 0.00 57.88 57.84 1ddb h LEU 35 Cb 0.59 0.14 0.03 0.00 -0.53 0.00 0.00 40.66 40.89 1ddb h LEU 35 CO 0.11 -0.16 -1.21 -0.08 -0.13 0.00 0.00 178.44 176.97 1ddb h GLU 36 N 0.27 0.63 0.74 1.25 4.81 -1.38 0.88 114.58 121.79 1ddb h GLU 36 Ca 0.75 -0.82 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1ddb h GLU 36 Cb 1.82 0.27 0.01 0.00 0.63 0.00 0.00 28.75 31.48 1ddb h GLU 36 CO -0.58 1.37 -0.35 -0.24 -0.73 0.00 0.00 179.01 178.48 1ddb h VAL 37 N 0.28 0.24 -0.20 0.32 3.04 0.54 0.57 116.25 121.04 1ddb h VAL 37 Ca -0.18 -0.08 -0.20 0.00 -1.01 0.00 0.00 66.70 65.22 1ddb h VAL 37 Cb 1.89 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1ddb h VAL 37 CO 0.23 0.01 -0.67 -0.07 -1.01 0.00 0.00 177.57 176.06 1ddb h LEU 38 N -1.06 0.90 -0.34 3.16 3.38 0.88 -3.24 115.31 118.99 1ddb h LEU 38 Ca -0.10 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.40 1ddb h LEU 38 Cb 0.77 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1ddb h LEU 38 CO 0.17 1.33 -0.21 1.23 0.09 0.00 0.00 178.44 181.05 1ddb h GLY 39 N 0.70 0.01 0.00 0.83 0.00 0.86 -3.46 103.07 102.00 1ddb h GLY 39 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1ddb h GLY 39 CO 0.14 -0.19 0.00 -0.96 0.00 0.00 0.00 176.54 175.53 1ddb n ARG 40 N -5.37 0.00 -3.52 4.80 1.85 0.19 -4.99 116.66 109.61 1ddb n ARG 40 Ca 0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.57 1ddb n ARG 40 Cb 0.28 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.55 1ddb n ARG 40 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ddb s GLU 41 N -0.96 0.25 -0.09 2.89 -6.30 -1.26 -4.44 118.70 108.79 1ddb s GLU 41 Ca 0.00 -0.65 -0.05 0.00 -2.50 0.00 0.00 54.97 51.76 1ddb s GLU 41 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 34.13 32.92 1ddb s GLU 41 CO 0.00 -1.05 0.12 -0.51 0.02 0.00 0.00 175.26 173.84 1ddb s LEU 42 N 1.94 4.24 0.98 2.70 2.01 -1.26 -5.10 118.68 124.17 1ddb s LEU 42 Ca 0.10 0.38 -0.14 0.00 0.01 0.00 0.00 54.13 54.48 1ddb s LEU 42 Cb -0.17 -2.13 0.18 0.00 0.01 0.00 0.00 46.19 44.07 1ddb s LEU 42 CO -0.31 0.37 1.17 -2.16 1.01 0.00 0.00 176.35 176.44 1ddb s PRO 43 N -1.20 0.60 -0.84 1.29 0.04 -1.26 -4.82 135.00 128.81 1ddb s PRO 43 Ca 0.17 0.08 -0.22 0.00 0.04 0.00 0.00 61.00 61.07 1ddb s PRO 43 Cb -0.12 -1.79 -0.18 0.00 0.04 0.00 0.00 34.50 32.44 1ddb s PRO 43 CO 0.07 -2.53 2.25 1.55 0.04 0.00 0.00 177.00 178.39 1ddb n VAL 44 N -3.95 0.00 0.00 -0.36 3.14 -1.26 -3.60 118.33 112.29 1ddb n VAL 44 Ca 0.10 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1ddb n VAL 44 Cb 0.59 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.78 1ddb n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ddb n GLN 45 N 7.97 0.00 0.00 1.45 6.02 -1.26 -5.17 117.38 126.39 1ddb n GLN 45 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1ddb n GLN 45 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ddb n ALA 46 N 0.00 0.00 -1.15 -1.58 0.00 -1.24 -5.12 120.51 111.43 1ddb n ALA 46 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1ddb n ALA 46 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ddb n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ddb n TYR 47 N -0.02 0.90 0.00 0.00 9.36 -1.26 -4.37 117.16 121.77 1ddb n TYR 47 Ca 0.00 0.77 0.00 0.00 3.32 0.00 0.00 57.90 61.99 1ddb n TYR 47 Cb 0.00 -1.51 0.00 0.00 -0.63 0.00 0.00 39.34 37.20 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 2.05 0.00 -0.56 2.98 -0.00 -1.26 -4.96 117.44 115.68 1ddb n TRP 48 Ca 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.71 1ddb n TRP 48 Cb -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.30 1ddb n TRP 48 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1ddb n GLU 49 N 0.00 -0.40 0.00 5.87 2.13 -1.26 -5.04 120.64 121.94 1ddb n GLU 49 Ca 0.00 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1ddb n GLU 49 Cb 0.00 -0.49 0.00 0.00 0.27 0.00 0.00 31.44 31.22 1ddb n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ddb n ALA 50 N -1.09 0.00 -1.21 4.31 0.00 -1.26 -5.15 120.51 116.11 1ddb n ALA 50 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1ddb n ALA 50 Cb 0.09 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.58 1ddb n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddb n ASP 51 N 0.00 -3.13 -2.66 0.00 8.00 -1.26 -4.96 116.55 112.54 1ddb n ASP 51 Ca 0.00 0.54 -0.03 0.00 0.71 0.00 0.00 54.79 56.01 1ddb n ASP 51 Cb 0.00 -0.98 0.05 0.00 -0.02 0.00 0.00 41.12 40.17 1ddb n ASP 51 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ddb n LEU 52 N 1.61 -1.14 -4.68 0.64 -0.00 -1.26 -5.17 117.00 107.00 1ddb n LEU 52 Ca 0.07 -0.98 -0.28 0.00 -0.00 0.00 0.00 56.01 54.82 1ddb n LEU 52 Cb 0.50 0.52 -0.09 0.00 -0.00 0.00 0.00 43.42 44.34 1ddb n LEU 52 CO 0.52 1.22 -0.25 -1.61 -0.00 0.00 0.00 177.39 177.27 1ddb s GLU 53 N 0.67 2.06 -0.27 1.96 0.41 -1.26 -5.12 118.70 117.15 1ddb s GLU 53 Ca 0.23 -2.13 0.02 0.00 -0.41 0.00 0.00 54.97 52.69 1ddb s GLU 53 Cb 0.17 -1.68 0.07 0.00 -1.78 0.00 0.00 34.13 30.90 1ddb s GLU 53 CO -0.10 -0.14 -0.05 -0.51 -0.49 0.00 0.00 175.26 173.97 1ddb s ASP 54 N -3.79 4.24 -0.02 -0.19 1.11 -1.26 -5.10 116.67 111.66 1ddb s ASP 54 Ca 0.30 -1.44 0.05 0.00 0.18 0.00 0.00 52.55 51.63 1ddb s ASP 54 Cb 0.07 -1.38 -0.01 0.00 1.07 0.00 0.00 42.92 42.67 1ddb s ASP 54 CO 0.16 -0.25 -0.17 -1.83 1.18 0.00 0.00 175.17 174.26 1ddb s GLU 55 N 1.21 1.43 0.14 8.23 -1.05 -1.26 -4.97 118.70 122.43 1ddb s GLU 55 Ca -0.04 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1ddb s GLU 55 Cb -0.19 -1.34 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 1ddb s GLU 55 CO -0.07 0.33 0.00 -0.11 0.95 0.00 0.00 175.26 176.36 1ddb n LEU 56 N 2.79 -1.29 -2.21 1.83 7.94 -1.26 -5.13 117.00 119.67 1ddb n LEU 56 Ca -0.15 0.36 -0.03 0.00 -1.11 0.00 0.00 56.01 55.07 1ddb n LEU 56 Cb 0.54 1.44 -0.03 0.00 0.53 0.00 0.00 43.42 45.90 1ddb n LEU 56 CO 0.24 -0.07 -0.46 1.67 -1.11 0.00 0.00 177.39 177.66 1ddb n GLN 57 N -2.67 -3.41 -3.39 1.96 -0.06 -1.26 -4.97 117.38 103.59 1ddb n GLN 57 Ca 0.00 2.68 -0.37 0.00 -2.00 0.00 0.00 57.00 57.31 1ddb n GLN 57 Cb 0.00 -3.83 -0.06 0.00 -4.06 0.00 0.00 30.24 22.28 1ddb n GLN 57 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1ddb s THR 58 N -0.46 5.22 -0.30 1.69 -1.32 -1.26 -5.03 115.64 114.18 1ddb s THR 58 Ca -0.16 0.81 -0.16 0.00 -1.21 0.00 0.00 61.69 60.96 1ddb s THR 58 Cb 0.01 -3.75 0.17 0.00 -1.51 0.00 0.00 72.50 67.42 1ddb s THR 58 CO 0.45 0.34 1.09 -0.62 -2.21 0.00 0.00 174.62 173.67 1ddb s ASP 59 N 0.62 -0.38 0.40 8.08 2.15 -1.26 -5.15 116.67 121.14 1ddb s ASP 59 Ca 0.23 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.74 1ddb s ASP 59 Cb -0.14 1.36 0.00 0.00 -0.30 0.00 0.00 42.92 43.84 1ddb s ASP 59 CO 0.08 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 1ddb n GLY 60 N 4.43 -0.55 3.94 2.66 0.00 -1.26 -4.86 105.19 109.54 1ddb n GLY 60 Ca -0.11 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 1ddb n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddb s SER 61 N -4.00 5.21 -0.30 1.61 1.04 -1.26 -5.10 113.70 110.90 1ddb s SER 61 Ca 0.00 0.42 -0.15 0.00 0.48 0.00 0.00 55.95 56.69 1ddb s SER 61 Cb 0.00 -1.26 0.16 0.00 0.10 0.00 0.00 66.02 65.02 1ddb s SER 61 CO 0.00 -1.28 0.98 -1.58 0.98 0.00 0.00 173.24 172.34 1ddb s GLN 62 N -5.02 0.33 0.01 4.02 2.00 -1.26 -5.08 119.66 114.67 1ddb s GLN 62 Ca 0.57 0.70 -0.12 0.00 -2.00 0.00 0.00 55.36 54.50 1ddb s GLN 62 Cb -0.11 0.28 -0.07 0.00 0.80 0.00 0.00 33.01 33.91 1ddb s GLN 62 CO 0.43 -0.09 1.00 0.00 -0.50 0.00 0.00 175.29 176.13 1ddb h ALA 63 N 6.83 -0.94 -1.28 1.58 0.00 -2.03 -3.49 119.26 119.94 1ddb h ALA 63 Ca -0.21 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 54.91 1ddb h ALA 63 Cb 1.15 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 1ddb h ALA 63 CO 0.14 -0.91 0.89 -1.54 0.00 0.00 0.00 179.25 177.83 1ddb s SER 64 N -3.02 -0.06 0.15 0.00 1.04 -1.26 -5.19 113.70 105.36 1ddb s SER 64 Ca -0.07 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.25 1ddb s SER 64 Cb 0.01 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1ddb s SER 64 CO 0.20 -0.16 0.24 -0.13 0.98 0.00 0.00 173.24 174.37 1ddb s ARG 65 N -2.25 1.09 0.00 4.02 0.52 -1.26 -5.17 118.95 115.90 1ddb s ARG 65 Ca 0.12 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.15 1ddb s ARG 65 Cb 0.02 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.84 1ddb s ARG 65 CO -0.04 -0.38 0.00 -1.13 0.02 0.00 0.00 175.30 173.77 1ddb n SER 66 N -0.18 0.00 -3.67 0.23 3.41 -1.26 -5.19 113.62 106.97 1ddb n SER 66 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1ddb n SER 66 Cb 0.63 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1ddb n SER 66 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ddb s PHE 67 N -2.00 -0.19 0.08 7.33 0.08 -1.26 -5.18 117.98 116.85 1ddb s PHE 67 Ca 0.00 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1ddb s PHE 67 Cb 0.00 0.35 -0.03 0.00 -0.57 0.00 0.00 43.02 42.77 1ddb s PHE 67 CO 0.00 -0.83 -0.12 -0.80 -0.10 0.00 0.00 175.22 173.37 1ddb s ASN 68 N -2.84 1.53 0.24 1.36 0.01 -1.26 -5.16 114.94 108.82 1ddb s ASN 68 Ca 0.06 -0.70 -0.08 0.00 -0.71 0.00 0.00 52.86 51.43 1ddb s ASN 68 Cb 0.00 -0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 1ddb s ASN 68 CO -0.07 -0.17 0.37 -1.58 -1.51 0.00 0.00 177.10 174.14 1ddb s GLN 69 N -2.19 1.47 0.27 -0.60 0.74 -1.26 -5.18 119.66 112.90 1ddb s GLN 69 Ca 0.01 -1.41 0.02 0.00 0.05 0.00 0.00 55.36 54.03 1ddb s GLN 69 Cb -0.07 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 1ddb s GLN 69 CO 0.01 -0.58 0.14 0.20 -0.55 0.00 0.00 175.29 174.52 1ddb s GLY 70 N -3.08 1.83 -0.28 2.59 0.00 -1.26 -5.14 107.32 101.99 1ddb s GLY 70 Ca 0.28 -1.79 0.03 0.00 0.00 0.00 0.00 44.72 43.24 1ddb s GLY 70 CO 0.11 -1.53 -0.04 0.50 0.00 0.00 0.00 173.10 172.13 1ddb s ARG 71 N -3.94 1.82 0.13 2.90 1.81 -1.26 -5.10 118.95 115.31 1ddb s ARG 71 Ca 0.37 -1.40 0.10 0.00 -1.72 0.00 0.00 55.73 53.08 1ddb s ARG 71 Cb 0.06 -2.87 -0.04 0.00 -0.45 0.00 0.00 34.95 31.65 1ddb s ARG 71 CO 0.16 -0.70 -0.23 0.42 -0.68 0.00 0.00 175.30 174.27 1ddb s ILE 72 N 1.14 2.52 -0.36 1.52 -1.09 -1.26 -5.11 121.20 118.56 1ddb s ILE 72 Ca -0.02 -1.68 -0.15 0.00 -2.23 0.00 0.00 60.65 56.58 1ddb s ILE 72 Cb -0.19 -2.15 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 1ddb s ILE 72 CO -0.07 0.07 0.33 -0.70 -1.23 0.00 0.00 174.94 173.34 1ddb s GLU 73 N -2.16 3.42 0.70 2.79 2.56 -1.26 -5.07 118.70 119.68 1ddb s GLU 73 Ca 0.16 -0.59 -0.11 0.00 0.00 0.00 0.00 54.97 54.44 1ddb s GLU 73 Cb -0.10 -3.84 0.01 0.00 2.00 0.00 0.00 34.13 32.20 1ddb s GLU 73 CO 0.08 -0.57 1.06 -1.25 -0.56 0.00 0.00 175.26 174.03 1ddb s PRO 74 N 1.91 2.90 -0.23 4.30 0.04 -1.26 -4.98 135.00 137.69 1ddb s PRO 74 Ca 0.09 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1ddb s PRO 74 Cb -0.17 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1ddb s PRO 74 CO 0.11 -1.12 1.30 -0.51 0.04 0.00 0.00 177.00 176.82 1ddb s ASP 75 N -3.80 6.80 1.07 6.66 1.01 -1.26 -5.00 116.67 122.14 1ddb s ASP 75 Ca 0.58 1.48 -0.14 0.00 0.71 0.00 0.00 52.55 55.19 1ddb s ASP 75 Cb -0.14 -2.54 0.23 0.00 1.01 0.00 0.00 42.92 41.48 1ddb s ASP 75 CO 0.55 -0.93 1.08 -0.94 0.21 0.00 0.00 175.17 175.14 1ddb s SER 76 N 2.45 1.94 0.29 0.27 1.04 -1.26 -5.07 113.70 113.36 1ddb s SER 76 Ca 0.56 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 58.03 1ddb s SER 76 Cb -0.20 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.15 1ddb s SER 76 CO 0.19 -3.55 0.54 -1.61 0.98 0.00 0.00 173.24 169.79 1ddb s GLU 77 N -4.92 1.75 0.43 4.02 8.01 -1.26 -5.17 118.70 121.56 1ddb s GLU 77 Ca 0.67 -1.38 0.07 0.00 0.01 0.00 0.00 54.97 54.33 1ddb s GLU 77 Cb -0.19 0.50 -0.04 0.00 -4.31 0.00 0.00 34.13 30.09 1ddb s GLU 77 CO 0.59 -0.75 0.21 -1.54 0.01 0.00 0.00 175.26 173.78 1ddb s SER 78 N -3.07 4.47 0.78 -0.19 1.04 -1.26 -5.15 113.70 110.32 1ddb s SER 78 Ca 0.23 -1.11 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1ddb s SER 78 Cb -0.02 -0.33 0.14 0.00 0.10 0.00 0.00 66.02 65.92 1ddb s SER 78 CO 0.12 -0.63 1.07 0.00 0.98 0.00 0.00 173.24 174.78 1ddb s GLN 79 N -3.96 1.43 -0.93 4.02 -2.07 -1.26 -4.98 119.66 111.91 1ddb s GLN 79 Ca 0.39 -0.95 -0.24 0.00 -1.82 0.00 0.00 55.36 52.73 1ddb s GLN 79 Cb 0.03 -2.22 0.03 0.00 -1.09 0.00 0.00 33.01 29.76 1ddb s GLN 79 CO 0.22 -1.68 1.48 -1.21 -1.32 0.00 0.00 175.29 172.78 1ddb s GLU 80 N -5.32 3.36 -0.16 9.60 0.41 -1.26 -4.88 118.70 120.46 1ddb s GLU 80 Ca 0.68 -0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1ddb s GLU 80 Cb -0.05 -5.04 0.13 0.00 -1.78 0.00 0.00 34.13 27.39 1ddb s GLU 80 CO 0.46 -2.34 1.00 -1.21 -0.49 0.00 0.00 175.26 172.68 1ddb s GLU 81 N 5.43 0.60 -0.12 1.61 0.41 -1.26 -5.06 118.70 120.31 1ddb s GLU 81 Ca 0.47 0.13 -0.12 0.00 -0.41 0.00 0.00 54.97 55.03 1ddb s GLU 81 Cb -0.03 0.28 -0.26 0.00 -1.78 0.00 0.00 34.13 32.34 1ddb s GLU 81 CO -0.03 -0.19 0.43 0.82 -0.49 0.00 0.00 175.26 175.80 1ddb h ILE 82 N 2.53 0.81 0.17 -1.63 2.04 -1.99 -3.21 117.51 116.24 1ddb h ILE 82 Ca -0.18 -2.35 0.01 0.00 1.00 0.00 0.00 64.86 63.34 1ddb h ILE 82 Cb 1.16 2.54 -0.04 0.00 -0.74 0.00 0.00 36.82 39.75 1ddb h ILE 82 CO 0.31 0.75 -0.39 0.40 0.00 0.00 0.00 178.15 179.22 1ddb h ILE 83 N -0.20 0.21 -0.86 -0.67 1.08 -1.99 -0.08 117.51 115.00 1ddb h ILE 83 Ca -0.37 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.24 1ddb h ILE 83 Cb 1.85 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 35.74 1ddb h ILE 83 CO 0.04 0.00 0.56 0.45 -0.69 0.00 0.00 178.15 178.51 1ddb h HIS 84 N -0.65 0.74 -0.54 1.37 3.86 -1.96 0.91 115.15 118.88 1ddb h HIS 84 Ca 0.01 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.31 1ddb h HIS 84 Cb 0.66 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 1ddb h HIS 84 CO -0.31 0.28 0.23 -0.97 0.86 0.00 0.00 177.93 178.01 1ddb h ASN 85 N 0.63 0.27 -0.40 2.45 -0.73 -1.05 0.70 115.58 117.45 1ddb h ASN 85 Ca 0.43 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.62 1ddb h ASN 85 Cb 0.74 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 1ddb h ASN 85 CO -0.18 0.18 0.15 -0.29 -0.37 0.00 0.00 177.43 176.92 1ddb h ILE 86 N 0.43 1.18 -0.44 2.57 6.09 0.25 -1.48 117.51 126.11 1ddb h ILE 86 Ca 0.26 -0.61 0.07 0.00 -1.37 0.00 0.00 64.86 63.21 1ddb h ILE 86 Cb 0.25 0.67 -0.06 0.00 0.47 0.00 0.00 36.82 38.15 1ddb h ILE 86 CO -0.23 0.23 0.11 0.00 -3.07 0.00 0.00 178.15 175.19 1ddb h ALA 87 N 1.52 0.50 0.15 0.18 0.00 -0.15 0.39 119.26 121.85 1ddb h ALA 87 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ddb h ALA 87 Cb 0.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ddb h ALA 87 CO -0.01 -0.29 -0.07 -0.09 0.00 0.00 0.00 179.25 178.78 1ddb h ARG 88 N 0.25 -0.20 0.00 0.00 2.43 -0.75 -2.00 114.38 114.12 1ddb h ARG 88 Ca 0.22 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1ddb h ARG 88 Cb 0.26 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ddb h ARG 88 CO -0.27 0.07 0.02 1.58 -1.51 0.00 0.00 179.97 179.87 1ddb n HIS 89 N -5.07 0.64 0.09 2.20 -0.00 -0.62 -2.47 115.22 109.99 1ddb n HIS 89 Ca -0.09 0.33 -0.03 0.00 0.46 0.00 0.00 57.72 58.39 1ddb n HIS 89 Cb 0.19 -1.02 -0.02 0.00 -0.12 0.00 0.00 29.99 29.03 1ddb n HIS 89 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1ddb h LEU 90 N 0.00 -0.19 -0.22 0.27 5.85 0.55 0.07 115.31 121.65 1ddb h LEU 90 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1ddb h LEU 90 Cb 0.05 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1ddb h LEU 90 CO 0.00 -0.12 -0.20 0.00 -0.34 0.00 0.00 178.44 177.78 1ddb h ALA 91 N -1.87 -0.08 -1.03 1.25 0.00 -1.51 0.26 119.26 116.28 1ddb h ALA 91 Ca -0.02 0.07 0.29 0.00 0.00 0.00 0.00 54.91 55.25 1ddb h ALA 91 Cb 0.17 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1ddb h ALA 91 CO 0.04 -0.63 0.72 0.37 0.00 0.00 0.00 179.25 179.74 1ddb h GLN 92 N -0.22 0.13 -0.25 0.00 4.15 -1.54 1.10 115.11 118.49 1ddb h GLN 92 Ca 0.13 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.42 1ddb h GLN 92 Cb 0.41 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1ddb h GLN 92 CO -0.35 0.09 -0.37 0.82 -1.93 0.00 0.00 178.83 177.10 1ddb h ILE 93 N 0.14 1.29 0.16 2.39 1.08 0.16 -2.33 117.51 120.40 1ddb h ILE 93 Ca 0.52 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1ddb h ILE 93 Cb 1.80 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 1ddb h ILE 93 CO -0.10 0.48 -0.08 1.23 -0.69 0.00 0.00 178.15 178.99 1ddb h GLY 94 N 1.05 -0.23 0.68 5.37 0.00 0.19 1.43 103.07 111.57 1ddb h GLY 94 Ca 0.05 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1ddb h GLY 94 CO 0.07 -0.08 -0.12 -1.80 0.00 0.00 0.00 176.54 174.61 1ddb h ASP 95 N -0.25 -0.36 -0.64 0.19 3.58 -1.39 -1.86 116.42 115.69 1ddb h ASP 95 Ca -0.02 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1ddb h ASP 95 Cb 0.19 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1ddb h ASP 95 CO 0.04 -0.17 0.23 -0.33 -2.88 0.00 0.00 179.24 176.12 1ddb h GLU 96 N -0.21 1.01 -0.99 0.28 4.39 -1.26 -2.43 114.58 115.37 1ddb h GLU 96 Ca 0.05 -0.19 0.21 0.00 0.34 0.00 0.00 59.36 59.77 1ddb h GLU 96 Cb 0.27 -0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 1ddb h GLU 96 CO -0.13 0.86 0.62 0.52 -1.16 0.00 0.00 179.01 179.72 1ddb h MET 97 N 0.98 0.59 -0.60 2.33 2.86 0.28 0.12 114.93 121.49 1ddb h MET 97 Ca 0.22 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.94 1ddb h MET 97 Cb 0.25 -0.13 -0.12 0.00 0.06 0.00 0.00 31.60 31.66 1ddb h MET 97 CO -0.01 0.39 -0.19 0.22 1.06 0.00 0.00 176.91 178.39 1ddb h ASP 98 N 0.61 -0.67 -1.14 1.22 3.58 -0.89 0.71 116.42 119.84 1ddb h ASP 98 Ca 0.57 0.19 0.38 0.00 0.42 0.00 0.00 57.03 58.59 1ddb h ASP 98 Cb 1.10 0.41 -0.14 0.00 1.72 0.00 0.00 39.33 42.42 1ddb h ASP 98 CO -0.34 -0.22 0.69 0.45 -2.88 0.00 0.00 179.24 176.94 1ddb h HIS 99 N -0.04 0.72 -2.00 0.28 3.86 -1.10 -3.15 115.15 113.73 1ddb h HIS 99 Ca 0.28 0.03 -0.41 0.00 -1.16 0.00 0.00 60.37 59.11 1ddb h HIS 99 Cb 0.47 -0.18 -0.32 0.00 1.06 0.00 0.00 27.41 28.44 1ddb h HIS 99 CO -0.52 -0.22 -0.74 -0.80 0.86 0.00 0.00 177.93 176.51 1ddb s ASN 100 N -4.70 1.13 -0.33 2.45 0.01 0.23 -5.08 114.94 108.65 1ddb s ASN 100 Ca -0.09 -1.96 -0.01 0.00 -0.71 0.00 0.00 52.86 50.10 1ddb s ASN 100 Cb 0.30 0.41 0.11 0.00 0.41 0.00 0.00 41.25 42.48 1ddb s ASN 100 CO 0.80 -0.22 0.13 -0.63 -1.51 0.00 0.00 177.10 175.67 1ddb s ILE 101 N 1.06 0.82 0.00 0.60 -1.09 -0.17 -4.78 121.20 117.63 1ddb s ILE 101 Ca 0.22 -1.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1ddb s ILE 101 Cb -0.11 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1ddb s ILE 101 CO -0.05 -0.74 0.00 0.00 -1.23 0.00 0.00 174.94 172.92 1ddb n GLN 102 N 4.63 0.00 -1.53 2.79 6.02 -1.26 -4.75 117.38 123.27 1ddb n GLN 102 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1ddb n GLN 102 Cb 0.40 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.63 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 2.17 -0.30 -1.09 -0.04 -1.26 -3.35 135.00 131.12 1ddb n PRO 103 Ca 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1ddb n PRO 103 Cb 0.00 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.30 1ddb n PRO 103 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ddb n THR 104 N 5.76 0.00 0.00 0.52 -1.04 -1.26 -3.92 114.28 114.33 1ddb n THR 104 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 1ddb n THR 104 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1ddb n THR 104 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1ddb n LEU 105 N 0.00 0.00 0.00 -4.42 0.00 -1.21 -5.04 117.00 106.33 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 0.43 0.52 0.00 0.00 0.00 177.39 178.34 1ddb n VAL 106 N -1.11 0.00 -0.34 1.96 0.31 -1.25 -0.60 118.33 117.30 1ddb n VAL 106 Ca 0.00 1.36 0.13 0.00 -0.01 0.00 0.00 64.34 65.81 1ddb n VAL 106 Cb 0.00 -2.35 0.31 0.00 -0.91 0.00 0.00 33.84 30.89 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 0.68 0.00 5.55 1.12 -1.92 0.89 114.38 120.70 1ddb h ARG 107 Ca 0.00 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1ddb h ARG 107 Cb 0.00 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1ddb h ARG 107 CO 0.00 0.45 -0.07 0.37 -3.11 0.00 0.00 179.97 177.60 1ddb h GLN 108 N 0.70 0.00 0.00 0.20 5.75 -1.86 -0.50 115.11 119.40 1ddb h GLN 108 Ca 0.57 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.07 1ddb h GLN 108 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1ddb h GLN 108 CO -0.40 0.07 0.00 -0.11 -2.65 0.00 0.00 178.83 175.74 1ddb n LEU 109 N -3.88 0.21 -0.27 -2.39 -0.00 0.31 -0.14 117.00 110.84 1ddb n LEU 109 Ca -0.02 0.72 0.24 0.00 -0.00 0.00 0.00 56.01 56.95 1ddb n LEU 109 Cb 0.17 -0.33 0.57 0.00 -0.00 0.00 0.00 43.42 43.83 1ddb n LEU 109 CO 0.30 -0.33 1.24 0.00 -0.00 0.00 0.00 177.39 178.60 1ddb h ALA 110 N -2.00 2.42 0.00 1.96 0.00 -1.49 1.89 119.26 122.04 1ddb h ALA 110 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ddb h ALA 110 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ddb h ALA 110 CO 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 179.25 178.26 1ddb h ALA 111 N 1.58 1.20 0.32 0.00 0.00 -1.02 -3.04 119.26 118.31 1ddb h ALA 111 Ca 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ddb h ALA 111 Cb 1.50 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1ddb h ALA 111 CO -0.17 0.30 -0.52 -0.56 0.00 0.00 0.00 179.25 178.30 1ddb h GLN 112 N 0.00 -0.86 -0.77 0.00 -0.00 0.65 -2.33 115.11 111.79 1ddb h GLN 112 Ca -0.00 0.06 0.05 0.00 -0.00 0.00 0.00 58.65 58.76 1ddb h GLN 112 Cb 0.59 0.19 -0.06 0.00 -0.00 0.00 0.00 27.48 28.21 1ddb h GLN 112 CO 0.03 -0.57 0.47 0.27 -0.00 0.00 0.00 178.83 179.03 1ddb h PHE 113 N -0.89 0.87 -0.14 0.06 -5.15 -1.55 -3.38 116.94 106.76 1ddb h PHE 113 Ca -0.04 0.03 -0.08 0.00 -0.20 0.00 0.00 57.97 57.68 1ddb h PHE 113 Cb 0.82 -0.28 -0.03 0.00 0.22 0.00 0.00 35.95 36.69 1ddb h PHE 113 CO -0.35 0.45 0.62 -0.12 -2.00 0.00 0.00 178.31 176.90 1ddb n MET 114 N -4.68 0.21 0.01 6.09 1.56 -0.88 -4.04 117.12 115.40 1ddb n MET 114 Ca 0.10 -0.75 0.00 0.00 -0.27 0.00 0.00 57.70 56.78 1ddb n MET 114 Cb 0.16 -2.71 0.00 0.00 2.15 0.00 0.00 33.22 32.81 1ddb n MET 114 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1ddb n ASN 115 N 13.77 -0.02 -4.87 6.12 3.02 -1.26 -4.96 115.26 127.05 1ddb n ASN 115 Ca 0.42 0.02 -0.22 0.00 -0.03 0.00 0.00 54.58 54.77 1ddb n ASN 115 Cb 0.39 0.07 0.06 0.00 -0.61 0.00 0.00 39.78 39.70 1ddb n ASN 115 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ddb s GLY 116 N -3.78 1.80 0.00 7.41 0.00 -1.26 -5.10 107.32 106.40 1ddb s GLY 116 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1ddb s GLY 116 CO 0.00 -1.16 0.00 1.44 0.00 0.00 0.00 173.10 173.38 1ddb n SER 117 N -2.50 0.00 0.00 1.64 7.64 -1.26 -5.01 113.62 114.13 1ddb n SER 117 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1ddb n SER 117 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1ddb n SER 117 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ddb n LEU 118 N 0.00 0.00 -4.22 -3.43 -0.00 -1.26 -4.75 117.00 103.33 1ddb n LEU 118 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 1ddb n LEU 118 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1ddb n LEU 118 CO 0.00 0.00 -0.04 -0.55 -0.00 0.00 0.00 177.39 176.80 1ddb s SER 119 N -0.84 1.40 0.25 1.96 0.15 -1.26 -4.97 113.70 110.38 1ddb s SER 119 Ca 0.00 -1.67 0.04 0.00 0.70 0.00 0.00 55.95 55.03 1ddb s SER 119 Cb 0.00 0.58 0.24 0.00 -1.71 0.00 0.00 66.02 65.13 1ddb s SER 119 CO 0.00 -1.12 0.90 -0.62 1.20 0.00 0.00 173.24 173.60 1ddb n GLU 120 N -0.59 0.04 0.00 5.44 -0.58 -1.26 -3.68 120.64 120.00 1ddb n GLU 120 Ca 0.05 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1ddb n GLU 120 Cb 0.62 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1ddb n GLU 120 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1ddb n GLU 121 N -1.69 0.00 -2.73 3.49 0.28 -1.26 -5.09 120.64 113.64 1ddb n GLU 121 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 1ddb n GLU 121 Cb 0.51 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.48 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ddb n ASP 122 N 0.00 -2.28 -4.83 -1.84 2.03 -1.24 -5.13 116.55 103.25 1ddb n ASP 122 Ca 0.00 -3.58 -0.38 0.00 0.52 0.00 0.00 54.79 51.35 1ddb n ASP 122 Cb 0.00 1.89 -0.06 0.00 -0.72 0.00 0.00 41.12 42.23 1ddb n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ddb s LYS 123 N 0.26 3.98 0.00 -0.67 3.01 -1.26 -4.36 119.74 120.70 1ddb s LYS 123 Ca 0.22 0.48 0.00 0.00 -1.01 0.00 0.00 55.97 55.66 1ddb s LYS 123 Cb 0.29 -3.19 0.00 0.00 -1.01 0.00 0.00 37.83 33.92 1ddb s LYS 123 CO -0.06 0.66 0.00 -2.13 0.51 0.00 0.00 175.35 174.32 1ddb n ARG 124 N 1.67 0.00 -0.07 1.68 0.63 -1.26 -4.98 116.66 114.33 1ddb n ARG 124 Ca -0.12 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.68 1ddb n ARG 124 Cb 0.52 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.37 1ddb n ARG 124 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 1ddb h ASN 125 N 0.00 0.51 0.08 6.15 4.21 -1.93 -0.79 115.58 123.82 1ddb h ASN 125 Ca 0.00 -0.49 0.02 0.00 1.21 0.00 0.00 56.30 57.05 1ddb h ASN 125 Cb 0.00 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.01 1ddb h ASN 125 CO 0.00 0.89 -0.38 0.00 -1.29 0.00 0.00 177.43 176.65 1ddb n LEU 127 N -5.45 0.00 -0.36 0.00 -0.00 -1.21 -1.46 117.00 108.52 1ddb n LEU 127 Ca -0.06 0.99 0.36 0.00 -0.00 0.00 0.00 56.01 57.30 1ddb n LEU 127 Cb 0.36 -0.49 0.74 0.00 -0.00 0.00 0.00 43.42 44.02 1ddb n LEU 127 CO 0.19 -0.49 1.33 0.00 -0.00 0.00 0.00 177.39 178.42 1ddb h ALA 128 N -1.75 3.11 -0.26 1.47 0.00 -1.04 1.95 119.26 122.74 1ddb h ALA 128 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ddb h ALA 128 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ddb h ALA 128 CO 0.00 -1.48 0.18 0.87 0.00 0.00 0.00 179.25 178.82 1ddb h LYS 129 N 0.03 0.20 -0.07 0.00 1.57 0.52 -1.34 116.57 117.48 1ddb h LYS 129 Ca 0.60 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.26 1ddb h LYS 129 Cb 2.34 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.61 1ddb h LYS 129 CO -0.04 0.13 -0.37 0.00 -0.57 0.00 0.00 179.45 178.60 1ddb h ALA 130 N 1.85 0.14 -0.95 3.86 0.00 0.37 -2.73 119.26 121.81 1ddb h ALA 130 Ca 0.11 -0.46 0.28 0.00 0.00 0.00 0.00 54.91 54.84 1ddb h ALA 130 Cb 0.19 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.80 1ddb h ALA 130 CO -0.02 0.24 0.18 1.37 0.00 0.00 0.00 179.25 181.02 1ddb h LEU 131 N -0.09 -0.19 0.03 0.00 8.10 -1.02 1.32 115.31 123.46 1ddb h LEU 131 Ca -0.03 0.25 -0.00 0.00 0.11 0.00 0.00 57.88 58.21 1ddb h LEU 131 Cb 1.02 0.37 0.00 0.00 -0.44 0.00 0.00 40.66 41.62 1ddb h LEU 131 CO 0.08 -0.30 -0.02 0.44 -4.11 0.00 0.00 178.44 174.53 1ddb h ASP 132 N 0.08 -0.04 0.44 0.17 5.19 -1.49 0.44 116.42 121.21 1ddb h ASP 132 Ca 0.62 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1ddb h ASP 132 Cb 1.34 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 1ddb h ASP 132 CO -0.80 0.37 -0.46 -0.33 -3.12 0.00 0.00 179.24 174.90 1ddb h GLU 133 N -0.45 -0.86 -0.98 3.56 3.07 0.46 0.94 114.58 120.32 1ddb h GLU 133 Ca -0.00 0.06 0.15 0.00 -0.50 0.00 0.00 59.36 59.07 1ddb h GLU 133 Cb 0.42 0.20 -0.09 0.00 -0.84 0.00 0.00 28.75 28.43 1ddb h GLU 133 CO 0.01 -0.57 0.59 -0.24 -1.40 0.00 0.00 179.01 177.40 1ddb h VAL 134 N -0.90 0.81 -0.19 3.13 3.04 0.13 2.05 116.25 124.32 1ddb h VAL 134 Ca -0.05 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1ddb h VAL 134 Cb 0.78 -0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 1ddb h VAL 134 CO -0.07 0.15 0.00 1.17 -1.01 0.00 0.00 177.57 177.82 1ddb n LYS 135 N -4.72 1.50 0.00 4.17 4.81 0.14 -1.63 118.16 122.43 1ddb n LYS 135 Ca 0.20 -0.69 0.00 0.00 -0.87 0.00 0.00 58.31 56.95 1ddb n LYS 135 Cb 0.45 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.30 1ddb n LYS 135 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1ddb n THR 136 N 0.07 0.00 -0.12 3.15 5.66 0.50 -4.44 114.28 119.10 1ddb n THR 136 Ca 0.06 -0.11 -0.24 0.00 -3.05 0.00 0.00 64.05 60.71 1ddb n THR 136 Cb 0.19 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.93 1.29 -3.00 1.79 0.00 0.57 -4.74 120.51 115.49 1ddb n ALA 137 Ca 0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 53.44 52.22 1ddb n ALA 137 Cb 0.00 0.15 -0.04 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 -4.19 3.02 -1.57 0.00 -1.74 -0.65 -5.08 117.46 107.25 1ddb n PHE 138 Ca -0.44 -3.93 -0.31 0.00 -0.56 0.00 0.00 57.45 52.20 1ddb n PHE 138 Cb 0.80 -0.47 0.05 0.00 1.52 0.00 0.00 39.48 41.38 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 -3.20 2.94 0.00 3.97 0.04 -1.23 -4.19 135.00 133.32 1ddb s PRO 139 Ca 0.46 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1ddb s PRO 139 Cb 0.30 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1ddb s PRO 139 CO -0.12 -1.10 0.00 -2.13 0.04 0.00 0.00 177.00 173.69 1ddb n ARG 140 N -3.11 0.00 0.00 4.56 0.63 -1.26 -4.69 116.66 112.79 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ddb n ASP 141 N 0.00 0.00 0.11 6.15 8.00 -1.26 -4.44 116.55 125.10 1ddb n ASP 141 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1ddb n ASP 141 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.18 0.63 -1.24 4.05 -2.00 0.42 114.93 116.98 1ddb h MET 142 Ca 0.00 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1ddb h MET 142 Cb 0.00 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1ddb h MET 142 CO 0.00 0.63 -0.30 1.49 0.23 0.00 0.00 176.91 178.96 1ddb h GLU 143 N 0.14 -0.82 0.26 0.39 4.81 -1.96 -1.67 114.58 115.72 1ddb h GLU 143 Ca 0.01 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ddb h GLU 143 Cb 0.92 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ddb h GLU 143 CO 0.07 -0.55 -0.13 -2.95 -0.73 0.00 0.00 179.01 174.73 1ddb h ASN 144 N -1.17 -0.30 -0.93 1.04 7.08 -1.72 -0.69 115.58 118.89 1ddb h ASN 144 Ca -0.09 -0.18 0.13 0.00 -3.08 0.00 0.00 56.30 53.09 1ddb h ASN 144 Cb 0.65 0.08 -0.14 0.00 -2.08 0.00 0.00 38.32 36.83 1ddb h ASN 144 CO 0.14 0.03 -0.44 0.44 -2.08 0.00 0.00 177.43 175.52 1ddb h ASP 145 N -0.64 -1.60 -0.04 6.14 5.19 -0.26 2.41 116.42 127.62 1ddb h ASP 145 Ca -0.04 0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1ddb h ASP 145 Cb 0.45 0.79 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1ddb h ASP 145 CO 0.06 -0.28 -0.04 0.07 -3.12 0.00 0.00 179.24 175.93 1ddb h LYS 146 N -0.03 0.22 0.48 3.56 2.10 -1.25 -2.56 116.57 119.09 1ddb h LYS 146 Ca 0.28 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.87 1ddb h LYS 146 Cb 0.55 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1ddb h LYS 146 CO -0.93 0.28 -0.23 0.00 -2.00 0.00 0.00 179.45 176.57 1ddb h ALA 147 N 1.75 -0.65 -0.27 0.07 0.00 0.54 0.16 119.26 120.85 1ddb h ALA 147 Ca 0.05 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ddb h ALA 147 Cb 0.22 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1ddb h ALA 147 CO 0.01 -0.84 -0.35 0.52 0.00 0.00 0.00 179.25 178.59 1ddb h MET 148 N -0.71 -0.33 -0.72 0.00 2.86 0.35 0.28 114.93 116.65 1ddb h MET 148 Ca -0.07 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1ddb h MET 148 Cb 0.53 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.19 1ddb h MET 148 CO 0.11 -0.22 0.35 1.25 1.06 0.00 0.00 176.91 179.45 1ddb h LEU 149 N -0.35 0.43 -1.81 1.22 6.46 -1.39 0.40 115.31 120.28 1ddb h LEU 149 Ca 0.13 0.07 0.17 0.00 -0.12 0.00 0.00 57.88 58.13 1ddb h LEU 149 Cb 0.56 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 1ddb h LEU 149 CO -0.46 0.23 0.49 0.40 -0.62 0.00 0.00 178.44 178.48 1ddb h ILE 150 N 0.57 0.72 0.29 4.05 2.04 0.11 -1.32 117.51 123.97 1ddb h ILE 150 Ca 0.37 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1ddb h ILE 150 Cb 0.43 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1ddb h ILE 150 CO -0.30 0.03 -0.33 0.24 0.00 0.00 0.00 178.15 177.80 1ddb h MET 151 N 0.18 -0.64 -0.02 2.37 2.86 0.11 1.37 114.93 121.17 1ddb h MET 151 Ca 0.34 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.05 1ddb h MET 151 Cb 1.08 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 1ddb h MET 151 CO -0.06 -0.42 -0.14 1.79 1.06 0.00 0.00 176.91 179.13 1ddb h THR 152 N -0.66 0.64 0.00 2.22 1.35 -1.22 -0.46 112.91 114.79 1ddb h THR 152 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1ddb h THR 152 Cb 0.61 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1ddb h THR 152 CO -0.08 0.00 -0.04 0.24 -0.25 0.00 0.00 175.52 175.39 1ddb h MET 153 N -0.23 0.00 0.94 4.72 2.07 -1.22 -3.01 114.93 118.19 1ddb h MET 153 Ca 0.05 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.64 1ddb h MET 153 Cb 0.30 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.04 1ddb h MET 153 CO -0.15 0.04 -0.45 1.25 1.07 0.00 0.00 176.91 178.67 1ddb h LEU 154 N 0.00 -1.06 -0.68 1.22 7.12 0.36 1.38 115.31 123.64 1ddb h LEU 154 Ca -0.00 0.04 0.14 0.00 0.13 0.00 0.00 57.88 58.18 1ddb h LEU 154 Cb 0.33 0.28 -0.10 0.00 -0.53 0.00 0.00 40.66 40.64 1ddb h LEU 154 CO 0.01 -0.74 0.15 -0.07 -0.13 0.00 0.00 178.44 177.66 1ddb h LEU 155 N -1.30 0.01 0.36 2.25 4.07 -1.35 0.28 115.31 119.63 1ddb h LEU 155 Ca -0.13 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1ddb h LEU 155 Cb 0.96 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1ddb h LEU 155 CO 0.21 -0.01 -0.17 0.00 -1.08 0.00 0.00 178.44 177.38 1ddb h ALA 156 N 1.55 -0.49 -0.66 1.53 0.00 -1.41 3.98 119.26 123.77 1ddb h ALA 156 Ca 0.37 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1ddb h ALA 156 Cb 0.60 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 1ddb h ALA 156 CO -0.47 -0.71 -0.20 -0.22 0.00 0.00 0.00 179.25 177.65 1ddb h LYS 157 N -0.62 -0.04 0.08 0.00 3.11 0.32 -0.10 116.57 119.32 1ddb h LYS 157 Ca -0.05 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1ddb h LYS 157 Cb 0.45 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1ddb h LYS 157 CO 0.08 -0.02 -0.04 1.57 -2.81 0.00 0.00 179.45 178.23 1ddb h LYS 158 N -0.04 -0.10 -6.59 1.90 2.10 -0.30 -3.01 116.57 110.54 1ddb h LYS 158 Ca 0.31 0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 58.48 1ddb h LYS 158 Cb 0.51 0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1ddb h LYS 158 CO -0.69 0.47 -0.14 0.08 -2.00 0.00 0.00 179.45 177.17 1ddb s VAL 159 N -3.14 5.07 0.00 0.07 1.01 1.31 0.40 120.40 125.11 1ddb s VAL 159 Ca -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ddb s VAL 159 Cb -0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ddb s VAL 159 CO 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 175.10 175.05 1ddb n ALA 160 N -1.78 0.00 0.91 5.51 0.00 0.68 -3.53 120.51 122.29 1ddb n ALA 160 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1ddb n ALA 160 Cb 0.56 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.36 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 0.78 0.40 0.00 0.00 2.88 -0.13 -4.50 113.62 113.05 1ddb n SER 161 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1ddb n SER 161 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.64 0.00 -3.77 0.66 -0.00 -0.51 -4.88 115.22 105.07 1ddb n HIS 162 Ca 0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.42 1ddb n HIS 162 Cb 0.36 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.24 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 3.36 -1.07 -1.41 0.00 1.31 -4.85 121.76 118.10 1ddb s ALA 163 Ca 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 51.96 48.94 1ddb s ALA 163 Cb 0.00 -2.49 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 1ddb s ALA 163 CO 0.00 -1.96 2.52 -0.35 0.00 0.00 0.00 175.76 175.97 1ddb n PRO 164 N 3.93 2.62 -0.01 0.00 -0.04 -1.26 0.25 135.00 140.48 1ddb n PRO 164 Ca 0.03 -1.65 -0.01 0.00 -0.04 0.00 0.00 63.50 61.84 1ddb n PRO 164 Cb 0.39 -2.51 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 3.78 0.14 -3.14 3.54 3.41 -1.26 -4.85 113.62 115.24 1ddb n SER 165 Ca 0.56 0.02 -0.26 0.00 -0.26 0.00 0.00 58.87 58.93 1ddb n SER 165 Cb 0.24 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 1ddb n SER 165 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ddb n LEU 166 N -2.64 3.48 -0.14 1.04 7.99 -1.26 -4.87 117.00 120.60 1ddb n LEU 166 Ca -0.01 -5.45 0.28 0.00 -0.01 0.00 0.00 56.01 50.81 1ddb n LEU 166 Cb 0.03 -0.34 0.72 0.00 -0.11 0.00 0.00 43.42 43.72 1ddb n LEU 166 CO 0.01 2.24 1.25 0.17 -1.51 0.00 0.00 177.39 179.55 1ddb h LEU 167 N 3.43 0.00 0.05 2.23 8.10 -1.89 0.25 115.31 127.49 1ddb h LEU 167 Ca 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.13 1ddb h LEU 167 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1ddb h LEU 167 CO 0.76 0.00 -0.03 0.08 -4.11 0.00 0.00 178.44 175.14 1ddb h ARG 168 N 0.00 -0.07 -0.22 0.17 0.11 -1.94 -1.29 114.38 111.14 1ddb h ARG 168 Ca 0.39 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.40 1ddb h ARG 168 Cb 1.69 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.77 1ddb h ARG 168 CO -0.00 0.08 -0.19 0.22 0.10 0.00 0.00 179.97 180.18 1ddb h ASP 169 N -0.20 0.37 0.32 0.08 3.58 -1.01 -2.30 116.42 117.26 1ddb h ASP 169 Ca -0.01 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1ddb h ASP 169 Cb 0.18 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1ddb h ASP 169 CO 0.01 0.57 -0.23 0.58 -2.88 0.00 0.00 179.24 177.29 1ddb h VAL 170 N 0.34 0.00 -0.47 2.25 2.07 -0.68 1.79 116.25 121.55 1ddb h VAL 170 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1ddb h VAL 170 Cb 0.53 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.20 1ddb h VAL 170 CO 0.04 0.00 -0.24 0.15 0.02 0.00 0.00 177.57 177.54 1ddb h PHE 171 N -0.53 -0.62 0.00 1.57 3.57 -1.21 0.71 116.94 120.43 1ddb h PHE 171 Ca -0.04 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1ddb h PHE 171 Cb 0.44 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1ddb h PHE 171 CO -0.05 -0.32 -0.12 1.25 -2.23 0.00 0.00 178.31 176.84 1ddb h HIS 172 N -0.14 0.00 0.00 0.41 2.76 -1.28 0.23 115.15 117.13 1ddb h HIS 172 Ca 0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 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 -0.50 0.12 0.00 2.41 -1.30 0.00 0.00 177.93 178.65 1ddb n THR 173 N -3.60 0.27 -0.09 6.26 -1.04 0.61 -2.97 114.28 113.72 1ddb n THR 173 Ca -0.02 0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1ddb n THR 173 Cb 0.24 -0.66 -0.04 0.00 -1.82 0.00 0.00 70.33 68.06 1ddb n THR 173 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ddb n THR 174 N -1.37 1.47 0.76 12.58 -2.24 0.05 -3.99 114.28 121.54 1ddb n THR 174 Ca 0.09 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1ddb n THR 174 Cb 0.23 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.15 1ddb n THR 174 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ddb n VAL 175 N -4.52 0.46 -0.03 2.28 0.31 -1.09 -3.66 118.33 112.09 1ddb n VAL 175 Ca -0.15 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 1ddb n VAL 175 Cb 0.44 -0.68 -0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1ddb n VAL 175 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ddb h ASN 176 N 0.39 0.00 0.37 4.52 -1.07 -1.71 -3.10 115.58 114.98 1ddb h ASN 176 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1ddb h ASN 176 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1ddb h ASN 176 CO 0.00 0.28 -0.18 -0.26 0.07 0.00 0.00 177.43 177.35 1ddb h PHE 177 N -0.44 -0.45 -0.80 4.14 -1.00 -1.82 0.35 116.94 116.91 1ddb h PHE 177 Ca 0.00 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.91 1ddb h PHE 177 Cb 0.13 0.15 -0.09 0.00 3.61 0.00 0.00 35.95 39.75 1ddb h PHE 177 CO -0.06 -0.24 0.38 0.82 -1.61 0.00 0.00 178.31 177.60 1ddb h ILE 178 N -0.55 0.72 -0.52 -0.55 2.04 -1.80 0.22 117.51 117.06 1ddb h ILE 178 Ca -0.05 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1ddb h ILE 178 Cb 0.41 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1ddb h ILE 178 CO 0.08 0.10 -0.05 -1.13 0.00 0.00 0.00 178.15 177.15 1ddb h ASN 179 N 0.56 0.91 0.00 1.72 -0.73 -1.40 0.29 115.58 116.93 1ddb h ASN 179 Ca 0.43 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1ddb h ASN 179 Cb 0.60 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1ddb h ASN 179 CO -0.36 1.00 0.00 1.67 -0.37 0.00 0.00 177.43 179.37 1ddb n GLN 180 N -4.17 0.00 0.00 6.67 7.27 0.12 -4.48 117.38 122.79 1ddb n GLN 180 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1ddb n GLN 180 Cb 0.36 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.01 1ddb n GLN 180 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1ddb n ASN 181 N 0.00 0.69 -1.26 1.69 5.15 -1.22 -4.67 115.26 115.63 1ddb n ASN 181 Ca 0.00 -1.18 0.06 0.00 -0.60 0.00 0.00 54.58 52.86 1ddb n ASN 181 Cb 0.00 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 39.51 1ddb n ASN 181 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ddb n LEU 182 N -0.09 3.67 -2.02 1.20 7.99 -1.22 -4.95 117.00 121.59 1ddb n LEU 182 Ca 0.00 -1.86 -0.15 0.00 -0.01 0.00 0.00 56.01 54.00 1ddb n LEU 182 Cb 0.21 -0.52 -0.08 0.00 -0.11 0.00 0.00 43.42 42.91 1ddb n LEU 182 CO 0.00 0.57 0.97 0.33 -1.51 0.00 0.00 177.39 177.75 1ddb n PHE 183 N 0.63 0.14 -2.79 -1.77 -0.00 0.10 -1.48 117.46 112.29 1ddb n PHE 183 Ca 0.18 0.09 -0.02 0.00 -0.00 0.00 0.00 57.45 57.70 1ddb n PHE 183 Cb 0.73 -0.69 0.00 0.00 -0.00 0.00 0.00 39.48 39.52 1ddb n PHE 183 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1ddb n SER 184 N 3.70 -7.90 -0.26 -2.13 2.88 -1.26 -3.90 113.62 104.76 1ddb n SER 184 Ca 0.30 1.19 0.17 0.00 -1.33 0.00 0.00 58.87 59.20 1ddb n SER 184 Cb 0.04 -5.02 0.32 0.00 -0.75 0.00 0.00 64.21 58.79 1ddb n SER 184 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb n TYR 185 N 0.57 0.66 0.07 0.66 9.36 -0.55 0.22 117.16 128.15 1ddb n TYR 185 Ca 0.02 0.93 -0.11 0.00 3.32 0.00 0.00 57.90 62.06 1ddb n TYR 185 Cb 0.12 -1.18 -0.05 0.00 -0.63 0.00 0.00 39.34 37.60 1ddb n TYR 185 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ddb h VAL 186 N 0.00 0.62 -0.70 2.97 2.07 -1.87 -1.54 116.25 117.81 1ddb h VAL 186 Ca 0.55 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.16 1ddb h VAL 186 Cb 1.27 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1ddb h VAL 186 CO -0.68 0.00 0.35 -0.09 0.02 0.00 0.00 177.57 177.17 1ddb h ARG 187 N -0.27 0.58 -1.00 1.57 9.65 0.24 0.68 114.38 125.82 1ddb h ARG 187 Ca 0.04 -0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.03 1ddb h ARG 187 Cb 0.32 -0.13 -0.09 0.00 -1.39 0.00 0.00 29.97 28.68 1ddb h ARG 187 CO -0.13 0.38 0.62 -0.97 2.80 0.00 0.00 179.97 182.67 1ddb h ASN 188 N 0.60 0.88 -0.39 -3.80 -0.00 -0.38 0.45 115.58 112.93 1ddb h ASN 188 Ca 0.34 0.07 -0.05 0.00 -0.00 0.00 0.00 56.30 56.65 1ddb h ASN 188 Cb 0.36 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.56 1ddb h ASN 188 CO -0.26 0.42 0.03 0.25 -0.00 0.00 0.00 177.43 177.87 1ddb h LEU 189 N 0.92 0.65 0.71 0.34 5.85 0.04 0.97 115.31 124.79 1ddb h LEU 189 Ca 0.53 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1ddb h LEU 189 Cb 0.63 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1ddb h LEU 189 CO -0.31 0.77 -0.34 0.58 -0.34 0.00 0.00 178.44 178.80 1ddb h VAL 190 N 0.50 0.29 -0.61 1.05 2.07 0.31 0.17 116.25 120.04 1ddb h VAL 190 Ca 0.12 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1ddb h VAL 190 Cb 0.42 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1ddb h VAL 190 CO 0.01 0.00 0.37 0.08 0.02 0.00 0.00 177.57 178.06 1ddb h ARG 191 N -0.97 0.82 -0.69 1.57 -0.00 -0.20 -2.22 114.38 112.69 1ddb h ARG 191 Ca -0.10 -0.07 0.09 0.00 -0.00 0.00 0.00 59.98 59.90 1ddb h ARG 191 Cb 0.74 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.97 30.46 1ddb h ARG 191 CO 0.16 0.58 0.33 -0.97 -0.00 0.00 0.00 179.97 180.07 1ddb h ASN 192 N 0.82 0.42 -4.09 0.08 -0.73 0.12 -3.42 115.58 108.77 1ddb h ASN 192 Ca 0.22 0.06 -0.55 0.00 1.87 0.00 0.00 56.30 57.90 1ddb h ASN 192 Cb -0.03 -0.01 0.14 0.00 0.27 0.00 0.00 38.32 38.69 1ddb h ASN 192 CO -0.04 0.24 0.52 -0.70 -0.37 0.00 0.00 177.43 177.08 1ddb s GLU 193 N -6.07 2.84 -0.29 6.67 2.12 0.57 -4.81 118.70 119.73 1ddb s GLU 193 Ca -0.13 2.02 -0.44 0.00 0.36 0.00 0.00 54.97 56.78 1ddb s GLU 193 Cb 0.18 -1.97 -0.20 0.00 0.26 0.00 0.00 34.13 32.40 1ddb s GLU 193 CO 0.76 -1.36 1.37 -0.12 -0.54 0.00 0.00 175.26 175.36 1ddb n MET 194 N -1.59 0.00 0.00 4.30 0.00 -1.26 -4.94 117.12 113.63 1ddb n MET 194 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.84 1ddb n MET 194 Cb 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1ddb n MET 194 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57