#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddb s ASP 2 N 0.00 -0.07 -0.33 3.17 1.01 -1.26 -5.13 116.67 114.07 1ddb s ASP 2 Ca 0.00 0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.32 1ddb s ASP 2 Cb 0.00 0.06 0.11 0.00 1.01 0.00 0.00 42.92 44.09 1ddb s ASP 2 CO 0.00 -0.06 0.12 -0.94 0.21 0.00 0.00 175.17 174.50 1ddb s SER 3 N -1.07 3.90 0.03 0.27 1.04 -1.26 -5.11 113.70 111.50 1ddb s SER 3 Ca 0.08 -1.77 0.04 0.00 0.48 0.00 0.00 55.95 54.78 1ddb s SER 3 Cb -0.01 -0.83 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 1ddb s SER 3 CO -0.07 -0.39 -0.11 -1.61 0.98 0.00 0.00 173.24 172.04 1ddb s GLU 4 N 1.46 0.78 -0.15 4.02 0.41 -1.26 -5.13 118.70 118.83 1ddb s GLU 4 Ca 0.11 -0.63 -0.01 0.00 -0.41 0.00 0.00 54.97 54.03 1ddb s GLU 4 Cb -0.18 -0.74 0.04 0.00 -1.78 0.00 0.00 34.13 31.47 1ddb s GLU 4 CO -0.21 0.18 -0.05 0.54 -0.49 0.00 0.00 175.26 175.23 1ddb s VAL 5 N -0.77 1.03 -0.24 2.63 0.11 -1.26 -5.11 120.40 116.80 1ddb s VAL 5 Ca -0.00 -0.54 -0.27 0.00 -2.93 0.00 0.00 61.98 58.24 1ddb s VAL 5 Cb -0.07 -1.20 0.12 0.00 -1.53 0.00 0.00 36.38 33.71 1ddb s VAL 5 CO 0.01 0.15 1.02 -0.44 -3.33 0.00 0.00 175.10 172.51 1ddb s SER 6 N 1.67 -0.42 -0.30 3.54 0.01 -1.26 -5.16 113.70 111.79 1ddb s SER 6 Ca 0.01 0.69 -0.17 0.00 1.31 0.00 0.00 55.95 57.79 1ddb s SER 6 Cb -0.15 0.66 0.18 0.00 0.21 0.00 0.00 66.02 66.92 1ddb s SER 6 CO -0.08 -0.22 1.16 0.54 0.41 0.00 0.00 173.24 175.05 1ddb s ASN 7 N -0.27 -0.28 0.03 2.44 2.20 -1.26 -5.18 114.94 112.62 1ddb s ASN 7 Ca 0.01 0.39 -0.01 0.00 -0.94 0.00 0.00 52.86 52.32 1ddb s ASN 7 Cb -0.03 1.27 0.00 0.00 -2.00 0.00 0.00 41.25 40.49 1ddb s ASN 7 CO -0.03 -0.06 0.05 0.61 -2.94 0.00 0.00 177.10 174.73 1ddb n GLY 8 N 4.40 2.62 2.10 0.45 0.00 -1.26 -5.06 105.19 108.44 1ddb n GLY 8 Ca -0.10 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 1ddb n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 9 N -1.68 0.26 -3.62 1.61 7.64 -1.26 -5.16 113.62 111.40 1ddb n SER 9 Ca -0.00 -2.40 -0.15 0.00 1.01 0.00 0.00 58.87 57.32 1ddb n SER 9 Cb 0.04 0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 64.00 1ddb n SER 9 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ddb s GLY 10 N -2.55 -0.06 -0.30 0.23 0.00 -1.26 -4.57 107.32 98.82 1ddb s GLY 10 Ca 0.20 0.69 -0.10 0.00 0.00 0.00 0.00 44.72 45.52 1ddb s GLY 10 CO 0.14 1.96 0.97 1.08 0.00 0.00 0.00 173.10 177.25 1ddb s LEU 11 N 2.37 -0.63 0.00 0.66 1.43 -1.26 -5.08 118.68 116.17 1ddb s LEU 11 Ca 0.03 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1ddb s LEU 11 Cb -0.13 1.47 0.00 0.00 0.03 0.00 0.00 46.19 47.56 1ddb s LEU 11 CO -0.09 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1ddb n GLY 12 N 5.34 1.13 0.47 -3.19 0.00 -1.26 -4.63 105.19 103.04 1ddb n GLY 12 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1ddb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddb n ALA 13 N -1.00 0.00 -1.24 4.61 0.00 -1.26 -4.92 120.51 116.70 1ddb n ALA 13 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ddb n ALA 13 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1ddb n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ddb n LYS 14 N -1.58 2.50 -0.17 0.00 4.01 -1.26 -4.60 118.16 117.06 1ddb n LYS 14 Ca 0.00 -3.06 -0.07 0.00 -0.51 0.00 0.00 58.31 54.66 1ddb n LYS 14 Cb 0.00 -1.96 0.02 0.00 -0.51 0.00 0.00 35.03 32.58 1ddb n LYS 14 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1ddb h HIS 15 N 1.49 0.63 -0.73 2.13 2.76 -1.91 -1.01 115.15 118.52 1ddb h HIS 15 Ca 0.25 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.60 1ddb h HIS 15 Cb 1.94 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 30.65 1ddb h HIS 15 CO 1.05 0.43 0.50 0.97 -1.30 0.00 0.00 177.93 179.58 1ddb h ILE 16 N 0.66 0.72 -0.99 6.26 6.09 -1.81 0.19 117.51 128.63 1ddb h ILE 16 Ca 0.18 -0.07 0.16 0.00 -1.37 0.00 0.00 64.86 63.75 1ddb h ILE 16 Cb -0.03 0.48 -0.09 0.00 0.47 0.00 0.00 36.82 37.65 1ddb h ILE 16 CO -0.04 0.04 0.62 0.74 -3.07 0.00 0.00 178.15 176.44 1ddb h THR 17 N 0.22 0.79 -0.79 2.19 2.02 -1.52 0.11 112.91 115.94 1ddb h THR 17 Ca 0.36 -0.28 0.16 0.00 0.77 0.00 0.00 66.41 67.41 1ddb h THR 17 Cb 1.08 -0.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.29 1ddb h THR 17 CO -0.07 0.15 0.31 -0.78 0.37 0.00 0.00 175.52 175.50 1ddb h ASP 18 N 0.83 0.27 0.18 4.18 3.58 -0.67 0.88 116.42 125.66 1ddb h ASP 18 Ca 0.53 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 58.05 1ddb h ASP 18 Cb 0.75 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1ddb h ASP 18 CO -0.31 0.07 -0.22 -0.07 -2.88 0.00 0.00 179.24 175.83 1ddb h LEU 19 N 0.42 0.07 -0.11 2.28 -0.00 -0.90 -2.48 115.31 114.59 1ddb h LEU 19 Ca 0.45 -0.02 0.01 0.00 -0.00 0.00 0.00 57.88 58.32 1ddb h LEU 19 Cb 0.72 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1ddb h LEU 19 CO -0.44 0.29 0.05 0.25 -0.00 0.00 0.00 178.44 178.59 1ddb h LEU 20 N 0.07 0.08 0.38 1.67 5.85 0.11 1.27 115.31 124.74 1ddb h LEU 20 Ca 0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ddb h LEU 20 Cb 0.42 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1ddb h LEU 20 CO 0.03 0.06 -0.44 1.62 -0.34 0.00 0.00 178.44 179.37 1ddb h VAL 21 N 0.12 0.13 0.00 1.05 3.04 -0.89 1.50 116.25 121.19 1ddb h VAL 21 Ca 0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.72 1ddb h VAL 21 Cb 0.01 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.42 1ddb h VAL 21 CO -0.03 0.00 -0.08 0.15 -1.01 0.00 0.00 177.57 176.60 1ddb h PHE 22 N -0.85 0.00 -0.01 3.17 3.04 -1.30 -1.84 116.94 119.16 1ddb h PHE 22 Ca -0.03 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.70 1ddb h PHE 22 Cb 0.77 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.28 1ddb h PHE 22 CO -0.26 0.08 -0.91 0.78 -2.02 0.00 0.00 178.31 175.98 1ddb h GLY 23 N 0.25 0.44 0.27 2.40 0.00 0.28 -2.94 103.07 103.75 1ddb h GLY 23 Ca -0.00 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.59 1ddb h GLY 23 CO 0.01 0.66 -0.47 -2.75 0.00 0.00 0.00 176.54 173.99 1ddb h PHE 24 N 0.22 -1.34 -0.91 5.60 3.04 0.29 0.34 116.94 124.19 1ddb h PHE 24 Ca -0.07 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.95 1ddb h PHE 24 Cb 1.54 0.56 -0.05 0.00 2.56 0.00 0.00 35.95 40.56 1ddb h PHE 24 CO 0.06 -0.57 0.59 -0.07 -2.02 0.00 0.00 178.31 176.29 1ddb h LEU 25 N -0.75 0.97 -1.60 0.59 4.07 -1.64 -0.20 115.31 116.76 1ddb h LEU 25 Ca -0.00 -0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.10 1ddb h LEU 25 Cb 0.74 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 42.22 1ddb h LEU 25 CO -0.23 0.66 0.49 -0.61 -1.08 0.00 0.00 178.44 177.68 1ddb h GLN 26 N 1.13 0.39 0.00 1.13 4.15 -1.13 -3.26 115.11 117.52 1ddb h GLN 26 Ca 0.37 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1ddb h GLN 26 Cb 0.02 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1ddb h GLN 26 CO -0.13 0.26 0.00 0.45 -1.93 0.00 0.00 178.83 177.48 1ddb n SER 27 N -4.47 0.00 -0.40 -0.69 2.88 0.02 -4.88 113.62 106.08 1ddb n SER 27 Ca 0.14 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.70 1ddb n SER 27 Cb 0.52 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.42 0.00 -3.46 2.88 -1.17 -4.94 113.62 107.35 1ddb n SER 28 Ca 0.00 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.41 1ddb n SER 28 Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.25 -1.81 0.00 0.46 0.00 -1.00 -4.72 105.19 97.87 1ddb n GLY 29 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.57 0.10 0.22 0.00 -4.23 -1.26 -5.00 115.64 106.03 1ddb s THR 31 Ca 0.00 -0.80 -0.18 0.00 -1.18 0.00 0.00 61.69 59.54 1ddb s THR 31 Cb 0.00 -0.76 0.22 0.00 1.34 0.00 0.00 72.50 73.30 1ddb s THR 31 CO 0.00 -0.44 1.57 -0.09 -0.54 0.00 0.00 174.62 175.12 1ddb h ARG 32 N 3.71 -0.06 -0.10 3.99 1.12 -1.92 2.10 114.38 123.22 1ddb h ARG 32 Ca -0.31 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.59 1ddb h ARG 32 Cb 1.19 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.16 1ddb h ARG 32 CO 0.45 -0.04 0.09 0.37 -3.11 0.00 0.00 179.97 177.73 1ddb h GLN 33 N -0.06 0.00 0.47 0.20 4.15 -1.96 -2.37 115.11 115.54 1ddb h GLN 33 Ca 0.32 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 1ddb h GLN 33 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1ddb h GLN 33 CO -0.87 0.00 -0.23 1.49 -1.93 0.00 0.00 178.83 177.29 1ddb h GLU 34 N 0.00 -0.61 -1.19 1.69 4.57 0.30 -1.84 114.58 117.50 1ddb h GLU 34 Ca 0.05 0.04 0.34 0.00 -1.18 0.00 0.00 59.36 58.61 1ddb h GLU 34 Cb 0.22 0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.88 1ddb h GLU 34 CO -0.00 -0.31 0.82 1.25 -1.18 0.00 0.00 179.01 179.60 1ddb h LEU 35 N -0.95 0.15 -0.12 1.64 6.46 -0.66 0.70 115.31 122.52 1ddb h LEU 35 Ca -0.06 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1ddb h LEU 35 Cb 0.59 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1ddb h LEU 35 CO 0.11 0.01 -0.12 -0.08 -0.62 0.00 0.00 178.44 177.73 1ddb h GLU 36 N 0.12 0.29 0.63 1.25 4.57 -1.23 2.63 114.58 122.83 1ddb h GLU 36 Ca 0.61 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.60 1ddb h GLU 36 Cb 2.14 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.74 1ddb h GLU 36 CO -0.12 0.70 -0.30 0.28 -1.18 0.00 0.00 179.01 178.39 1ddb h VAL 37 N -0.11 0.25 -0.52 0.32 2.07 0.10 -1.58 116.25 116.79 1ddb h VAL 37 Ca 0.02 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1ddb h VAL 37 Cb 0.65 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1ddb h VAL 37 CO 0.03 0.03 -0.12 -0.07 0.02 0.00 0.00 177.57 177.46 1ddb h LEU 38 N -1.06 1.00 -0.44 2.57 3.38 -0.37 -3.13 115.31 117.27 1ddb h LEU 38 Ca -0.09 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.61 1ddb h LEU 38 Cb 0.69 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1ddb h LEU 38 CO 0.14 1.13 -0.31 1.23 0.09 0.00 0.00 178.44 180.72 1ddb h GLY 39 N 0.86 -0.18 -7.03 0.83 0.00 0.46 -3.26 103.07 94.76 1ddb h GLY 39 Ca 0.13 0.40 -0.26 0.00 0.00 0.00 0.00 47.33 47.60 1ddb h GLY 39 CO 0.05 -0.21 0.72 -0.96 0.00 0.00 0.00 176.54 176.15 1ddb n ARG 40 N -5.42 0.04 -4.10 4.80 1.85 -0.60 -4.79 116.66 108.44 1ddb n ARG 40 Ca 0.02 -1.13 -0.33 0.00 -1.00 0.00 0.00 57.85 55.41 1ddb n ARG 40 Cb 0.34 -2.85 -0.16 0.00 -1.05 0.00 0.00 32.46 28.74 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 7.15 3.00 -0.45 2.89 2.12 -1.23 -5.01 118.70 127.16 1ddb s GLU 41 Ca 0.63 -0.83 -0.15 0.00 0.36 0.00 0.00 54.97 54.99 1ddb s GLU 41 Cb 0.05 -2.61 0.06 0.00 0.26 0.00 0.00 34.13 31.88 1ddb s GLU 41 CO 0.23 -0.22 0.36 -0.51 -0.54 0.00 0.00 175.26 174.58 1ddb s LEU 42 N 1.30 5.43 0.15 2.70 2.01 -1.26 -4.92 118.68 124.09 1ddb s LEU 42 Ca 0.05 -1.21 -0.03 0.00 0.01 0.00 0.00 54.13 52.95 1ddb s LEU 42 Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 1ddb s LEU 42 CO -0.12 -0.58 1.36 1.55 1.01 0.00 0.00 176.35 179.57 1ddb h PRO 43 N 8.69 0.40 0.00 1.29 0.13 -1.99 -3.47 132.00 137.05 1ddb h PRO 43 Ca -0.28 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1ddb h PRO 43 Cb 1.11 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ddb h PRO 43 CO 0.82 1.05 0.00 1.55 -0.23 0.00 0.00 178.00 181.19 1ddb n VAL 44 N -3.78 0.00 0.00 1.56 3.14 -1.26 -4.96 118.33 113.03 1ddb n VAL 44 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1ddb n VAL 44 Cb 0.78 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.56 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 0.00 0.00 -3.25 1.45 1.13 -1.26 -5.13 117.38 110.32 1ddb n GLN 45 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1ddb n GLN 45 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1ddb n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddb s ALA 46 N -2.00 -1.67 0.06 -1.58 0.00 -1.26 -5.13 121.76 110.18 1ddb s ALA 46 Ca 0.00 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 1ddb s ALA 46 Cb 0.00 -2.04 -0.14 0.00 0.00 0.00 0.00 23.12 20.94 1ddb s ALA 46 CO 0.00 -1.47 0.61 0.98 0.00 0.00 0.00 175.76 175.89 1ddb n TYR 47 N 5.39 0.13 0.00 0.00 9.36 -1.26 -4.89 117.16 125.89 1ddb n TYR 47 Ca -0.01 0.74 0.00 0.00 3.32 0.00 0.00 57.90 61.96 1ddb n TYR 47 Cb 0.51 -1.48 0.00 0.00 -0.63 0.00 0.00 39.34 37.74 1ddb n TYR 47 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 1ddb n TRP 48 N 0.65 0.00 -3.14 2.98 8.01 -1.26 -5.13 117.44 119.55 1ddb n TRP 48 Ca 0.14 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.22 1ddb n TRP 48 Cb 0.11 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.37 1ddb n TRP 48 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1ddb s GLU 49 N -0.72 0.87 -0.41 -0.99 2.12 -1.26 -4.92 118.70 113.39 1ddb s GLU 49 Ca 0.00 -1.04 -0.38 0.00 0.36 0.00 0.00 54.97 53.91 1ddb s GLU 49 Cb 0.00 -0.47 -0.16 0.00 0.26 0.00 0.00 34.13 33.76 1ddb s GLU 49 CO 0.00 -1.27 1.51 0.00 -0.54 0.00 0.00 175.26 174.95 1ddb n ALA 50 N 3.59 -0.56 -2.26 6.30 0.00 -1.26 -4.75 120.51 121.57 1ddb n ALA 50 Ca 0.17 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 1ddb n ALA 50 Cb 0.52 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 3.53 6.34 0.26 0.00 1.47 -1.26 -4.92 116.67 122.08 1ddb s ASP 51 Ca 0.92 1.14 -0.16 0.00 1.18 0.00 0.00 52.55 55.62 1ddb s ASP 51 Cb -1.23 -2.54 -0.11 0.00 -0.34 0.00 0.00 42.92 38.70 1ddb s ASP 51 CO 0.62 -1.37 0.12 0.18 0.68 0.00 0.00 175.17 175.40 1ddb n LEU 52 N 8.75 -1.82 -3.74 2.11 7.99 -1.26 -4.96 117.00 124.07 1ddb n LEU 52 Ca 0.18 0.63 -0.08 0.00 -0.01 0.00 0.00 56.01 56.73 1ddb n LEU 52 Cb 0.47 -0.64 -0.02 0.00 -0.11 0.00 0.00 43.42 43.12 1ddb n LEU 52 CO 0.67 -2.84 0.49 -1.61 -1.51 0.00 0.00 177.39 172.60 1ddb s GLU 53 N -0.72 1.57 1.04 3.23 0.41 -1.26 -5.16 118.70 117.82 1ddb s GLU 53 Ca 0.43 -0.81 -0.17 0.00 -0.41 0.00 0.00 54.97 54.01 1ddb s GLU 53 Cb -0.50 0.57 0.05 0.00 -1.78 0.00 0.00 34.13 32.47 1ddb s GLU 53 CO 0.44 -0.71 0.02 -3.47 -0.49 0.00 0.00 175.26 171.04 1ddb n ASP 54 N -0.44 -2.52 -4.55 -0.19 2.03 -1.26 -4.74 116.55 104.88 1ddb n ASP 54 Ca -0.07 0.08 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1ddb n ASP 54 Cb 0.61 -1.01 -0.04 0.00 -0.72 0.00 0.00 41.12 39.95 1ddb n ASP 54 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1ddb s GLU 55 N -3.35 2.61 0.00 -0.67 2.12 -1.26 -4.35 118.70 113.80 1ddb s GLU 55 Ca 0.54 0.15 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1ddb s GLU 55 Cb -0.14 -4.72 0.00 0.00 0.26 0.00 0.00 34.13 29.53 1ddb s GLU 55 CO 0.68 -3.03 0.00 1.28 -0.54 0.00 0.00 175.26 173.65 1ddb n LEU 56 N 13.25 0.00 0.00 2.70 4.32 -1.26 -4.75 117.00 131.26 1ddb n LEU 56 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1ddb n LEU 56 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1ddb n LEU 56 CO 0.66 0.00 0.00 1.67 -1.22 0.00 0.00 177.39 178.50 1ddb n GLN 57 N 0.00 0.00 -3.67 3.23 7.27 -1.26 -4.72 117.38 118.23 1ddb n GLN 57 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1ddb n GLN 57 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1ddb n GLN 57 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1ddb s THR 58 N 0.00 0.03 -0.37 1.69 -1.32 -1.26 -5.13 115.64 109.28 1ddb s THR 58 Ca 0.00 -0.28 -0.14 0.00 -1.21 0.00 0.00 61.69 60.06 1ddb s THR 58 Cb 0.00 -0.76 -0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1ddb s THR 58 CO 0.00 -0.15 0.29 -1.81 -2.21 0.00 0.00 174.62 170.74 1ddb s ASP 59 N -1.20 6.11 -0.80 8.08 1.01 -1.26 -4.98 116.67 123.62 1ddb s ASP 59 Ca -0.12 -0.54 0.02 0.00 0.71 0.00 0.00 52.55 52.62 1ddb s ASP 59 Cb -0.03 -2.16 0.31 0.00 1.01 0.00 0.00 42.92 42.05 1ddb s ASP 59 CO 0.06 -0.34 1.23 0.61 0.21 0.00 0.00 175.17 176.95 1ddb n GLY 60 N 5.09 5.53 5.00 0.21 0.00 -1.26 -4.92 105.19 114.84 1ddb n GLY 60 Ca -0.11 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.20 1ddb n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddb n SER 61 N 0.28 0.00 -3.21 1.61 7.64 -1.26 -4.34 113.62 114.34 1ddb n SER 61 Ca 0.34 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.26 1ddb n SER 61 Cb 0.35 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1ddb n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ddb s GLN 62 N 0.00 0.12 0.12 1.43 -2.07 -1.26 -5.18 119.66 112.81 1ddb s GLN 62 Ca 0.00 0.26 -0.26 0.00 -1.82 0.00 0.00 55.36 53.54 1ddb s GLN 62 Cb 0.00 0.15 0.07 0.00 -1.09 0.00 0.00 33.01 32.14 1ddb s GLN 62 CO 0.00 -0.08 0.95 0.00 -1.32 0.00 0.00 175.29 174.84 1ddb s ALA 63 N 2.51 -1.70 0.18 2.60 0.00 -1.26 -5.13 121.76 118.96 1ddb s ALA 63 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1ddb s ALA 63 Cb -0.05 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1ddb s ALA 63 CO -0.13 -0.97 0.00 0.45 0.00 0.00 0.00 175.76 175.10 1ddb n SER 64 N -0.43 -7.57 -3.69 0.00 2.88 -1.26 -4.99 113.62 98.56 1ddb n SER 64 Ca -0.07 1.09 -0.10 0.00 -1.33 0.00 0.00 58.87 58.46 1ddb n SER 64 Cb 0.61 -4.19 -0.11 0.00 -0.75 0.00 0.00 64.21 59.77 1ddb n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ddb s ARG 65 N -1.27 0.37 0.40 -1.46 1.70 -1.26 -5.14 118.95 112.29 1ddb s ARG 65 Ca 0.00 0.83 -0.15 0.00 -0.47 0.00 0.00 55.73 55.94 1ddb s ARG 65 Cb 0.00 0.04 -0.12 0.00 -0.57 0.00 0.00 34.95 34.30 1ddb s ARG 65 CO 0.00 -0.18 -0.09 -1.13 -1.08 0.00 0.00 175.30 172.82 1ddb n SER 66 N 4.52 -2.95 -4.00 -2.89 3.41 -1.26 -4.84 113.62 105.62 1ddb n SER 66 Ca -0.20 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1ddb n SER 66 Cb 0.54 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.62 0.99 0.24 7.33 0.08 -1.26 -5.03 117.98 118.70 1ddb s PHE 67 Ca 0.47 -1.22 -0.09 0.00 0.12 0.00 0.00 56.93 56.21 1ddb s PHE 67 Cb -0.42 -0.33 -0.07 0.00 -0.57 0.00 0.00 43.02 41.63 1ddb s PHE 67 CO 0.54 -0.80 0.55 -0.80 -0.10 0.00 0.00 175.22 174.62 1ddb s ASN 68 N -3.15 6.61 0.16 1.36 0.01 -1.26 -5.04 114.94 113.63 1ddb s ASN 68 Ca 0.34 0.91 -0.19 0.00 -0.71 0.00 0.00 52.86 53.21 1ddb s ASN 68 Cb 0.04 -2.22 0.05 0.00 0.41 0.00 0.00 41.25 39.53 1ddb s ASN 68 CO 0.13 -0.09 0.51 -1.58 -1.51 0.00 0.00 177.10 174.57 1ddb s GLN 69 N -2.89 1.23 0.00 -0.60 0.74 -1.26 -4.95 119.66 111.93 1ddb s GLN 69 Ca 0.47 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1ddb s GLN 69 Cb -0.11 0.53 0.00 0.00 1.10 0.00 0.00 33.01 34.53 1ddb s GLN 69 CO 0.22 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 1ddb n GLY 70 N -0.31 3.15 3.25 2.59 0.00 -1.26 -5.18 105.19 107.42 1ddb n GLY 70 Ca -0.15 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1ddb n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ddb s ARG 71 N -1.88 0.72 -0.30 1.61 3.03 -1.26 -5.15 118.95 115.72 1ddb s ARG 71 Ca 0.00 -0.24 -0.13 0.00 2.03 0.00 0.00 55.73 57.39 1ddb s ARG 71 Cb 0.00 0.32 0.17 0.00 -1.03 0.00 0.00 34.95 34.41 1ddb s ARG 71 CO 0.00 -0.21 0.98 -1.50 -1.13 0.00 0.00 175.30 173.44 1ddb s ILE 72 N -1.58 -0.47 -0.28 4.99 2.07 -1.26 -5.13 121.20 119.53 1ddb s ILE 72 Ca -0.12 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1ddb s ILE 72 Cb -0.04 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.68 1ddb s ILE 72 CO 0.03 0.00 0.28 -0.70 -1.91 0.00 0.00 174.94 172.64 1ddb s GLU 73 N 2.69 0.30 -0.05 3.50 -6.30 -1.26 -4.98 118.70 112.60 1ddb s GLU 73 Ca 0.01 -0.07 -0.08 0.00 -2.50 0.00 0.00 54.97 52.32 1ddb s GLU 73 Cb -0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 34.13 33.27 1ddb s GLU 73 CO -0.15 -0.96 0.37 -1.00 0.02 0.00 0.00 175.26 173.54 1ddb h PRO 74 N 8.27 -0.28 0.00 4.30 0.13 -2.01 -3.49 132.00 138.93 1ddb h PRO 74 Ca -0.14 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1ddb h PRO 74 Cb 1.09 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ddb h PRO 74 CO 0.33 -0.18 0.00 -3.47 -0.23 0.00 0.00 178.00 174.44 1ddb n ASP 75 N -4.52 0.00 -4.52 1.44 2.03 -1.26 -5.12 116.55 104.60 1ddb n ASP 75 Ca -0.04 0.00 -0.63 0.00 0.52 0.00 0.00 54.79 54.64 1ddb n ASP 75 Cb 0.11 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.00 0.85 -3.64 1.67 7.64 -1.26 -4.91 113.62 113.97 1ddb n SER 76 Ca 0.00 1.14 -0.09 0.00 1.01 0.00 0.00 58.87 60.93 1ddb n SER 76 Cb 0.00 -0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 62.27 1ddb n SER 76 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ddb s GLU 77 N 2.11 0.52 0.07 1.43 2.12 -1.26 -4.95 118.70 118.75 1ddb s GLU 77 Ca 0.98 0.60 -0.27 0.00 0.36 0.00 0.00 54.97 56.64 1ddb s GLU 77 Cb -1.39 0.25 0.09 0.00 0.26 0.00 0.00 34.13 33.34 1ddb s GLU 77 CO 0.73 -0.07 1.10 0.45 -0.54 0.00 0.00 175.26 176.94 1ddb s SER 78 N 0.20 -0.13 -0.03 -1.70 0.15 -1.26 -5.17 113.70 105.76 1ddb s SER 78 Ca 0.03 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 1ddb s SER 78 Cb -0.05 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1ddb s SER 78 CO -0.06 -0.63 0.06 -1.10 1.20 0.00 0.00 173.24 172.72 1ddb s GLN 79 N -2.90 0.04 0.00 5.44 1.11 -1.26 -5.03 119.66 117.06 1ddb s GLN 79 Ca 0.13 0.17 0.00 0.00 0.01 0.00 0.00 55.36 55.67 1ddb s GLN 79 Cb 0.01 -0.10 0.00 0.00 -1.01 0.00 0.00 33.01 31.91 1ddb s GLN 79 CO -0.01 -0.09 0.00 -1.91 0.01 0.00 0.00 175.29 173.30 1ddb n GLU 80 N 3.63 0.00 -0.01 2.91 4.07 -1.26 -5.05 120.64 124.94 1ddb n GLU 80 Ca -0.20 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 56.96 1ddb n GLU 80 Cb 0.55 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.84 1ddb n GLU 80 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1ddb n GLU 81 N 0.00 0.71 0.02 5.31 0.28 -1.26 -4.46 120.64 121.24 1ddb n GLU 81 Ca 0.00 -0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 56.77 1ddb n GLU 81 Cb 0.00 -1.27 -0.01 0.00 1.43 0.00 0.00 31.44 31.59 1ddb n GLU 81 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1ddb h ILE 82 N 0.00 1.34 -0.79 3.84 2.04 -2.00 -3.09 117.51 118.85 1ddb h ILE 82 Ca 0.00 -2.04 0.14 0.00 1.00 0.00 0.00 64.86 63.95 1ddb h ILE 82 Cb 0.54 2.03 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 1ddb h ILE 82 CO 0.00 0.63 0.36 0.40 0.00 0.00 0.00 178.15 179.54 1ddb h ILE 83 N 0.39 0.70 -0.28 -0.67 2.04 -1.98 0.51 117.51 118.22 1ddb h ILE 83 Ca -0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1ddb h ILE 83 Cb 1.32 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1ddb h ILE 83 CO 0.14 0.10 0.02 0.45 0.00 0.00 0.00 178.15 178.85 1ddb h HIS 84 N 0.53 0.42 0.26 1.37 3.86 -1.78 -1.01 115.15 118.79 1ddb h HIS 84 Ca 0.43 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1ddb h HIS 84 Cb 0.61 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1ddb h HIS 84 CO -0.13 0.41 -0.17 -0.97 0.86 0.00 0.00 177.93 177.93 1ddb h ASN 85 N 0.40 -0.42 -0.02 2.45 -0.73 0.05 -1.52 115.58 115.79 1ddb h ASN 85 Ca 0.09 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.27 1ddb h ASN 85 Cb 0.24 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 1ddb h ASN 85 CO 0.00 -0.27 -0.04 -0.29 -0.37 0.00 0.00 177.43 176.47 1ddb h ILE 86 N -0.41 1.10 -0.40 2.57 6.09 -0.96 -2.02 117.51 123.48 1ddb h ILE 86 Ca -0.02 -0.41 0.07 0.00 -1.37 0.00 0.00 64.86 63.12 1ddb h ILE 86 Cb 0.35 1.06 -0.06 0.00 0.47 0.00 0.00 36.82 38.63 1ddb h ILE 86 CO 0.02 0.13 0.03 0.00 -3.07 0.00 0.00 178.15 175.26 1ddb h ALA 87 N 1.81 0.39 -0.06 0.18 0.00 -0.19 -0.87 119.26 120.52 1ddb h ALA 87 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ddb h ALA 87 Cb 0.18 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ddb h ALA 87 CO 0.01 -0.37 0.01 0.00 0.00 0.00 0.00 179.25 178.90 1ddb h ARG 88 N 0.14 0.09 0.00 0.00 3.08 -0.79 -1.90 114.38 115.00 1ddb h ARG 88 Ca 0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ddb h ARG 88 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ddb h ARG 88 CO -0.30 0.29 0.41 1.25 -1.07 0.00 0.00 179.97 180.55 1ddb h HIS 89 N -0.12 0.00 0.14 3.04 2.76 -0.90 -1.78 115.15 118.29 1ddb h HIS 89 Ca 0.02 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1ddb h HIS 89 Cb 0.24 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1ddb h HIS 89 CO 0.01 0.00 -0.17 1.25 -1.30 0.00 0.00 177.93 177.72 1ddb h LEU 90 N 0.00 -0.48 -0.85 0.26 5.85 -0.33 0.62 115.31 120.39 1ddb h LEU 90 Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1ddb h LEU 90 Cb 0.83 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1ddb h LEU 90 CO 0.00 -0.21 0.52 0.00 -0.34 0.00 0.00 178.44 178.41 1ddb h ALA 91 N -1.41 1.17 -0.77 1.25 0.00 -1.47 -0.76 119.26 117.27 1ddb h ALA 91 Ca -0.02 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1ddb h ALA 91 Cb 0.28 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1ddb h ALA 91 CO -0.04 0.25 0.38 0.37 0.00 0.00 0.00 179.25 180.21 1ddb h GLN 92 N 0.94 0.57 0.00 0.00 4.15 -1.18 0.41 115.11 120.01 1ddb h GLN 92 Ca 0.37 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.69 1ddb h GLN 92 Cb 0.19 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1ddb h GLN 92 CO -0.18 0.38 -0.33 -0.84 -1.93 0.00 0.00 178.83 175.93 1ddb h ILE 93 N 0.59 0.98 0.65 2.39 3.07 0.16 -1.05 117.51 124.29 1ddb h ILE 93 Ca 0.40 -1.26 -0.03 0.00 1.55 0.00 0.00 64.86 65.52 1ddb h ILE 93 Cb 0.52 1.73 0.01 0.00 -0.27 0.00 0.00 36.82 38.81 1ddb h ILE 93 CO -0.33 0.33 -0.31 1.23 -1.05 0.00 0.00 178.15 178.02 1ddb h GLY 94 N 1.48 -0.91 0.66 0.16 0.00 0.94 1.48 103.07 106.87 1ddb h GLY 94 Ca -0.00 0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1ddb h GLY 94 CO 0.04 -0.33 -0.00 -1.80 0.00 0.00 0.00 176.54 174.45 1ddb h ASP 95 N -0.89 0.02 -0.98 0.19 1.82 -1.33 -2.63 116.42 112.63 1ddb h ASP 95 Ca -0.09 -0.35 0.06 0.00 -0.39 0.00 0.00 57.03 56.26 1ddb h ASP 95 Cb 0.68 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.61 1ddb h ASP 95 CO 0.15 0.37 0.63 1.05 -1.61 0.00 0.00 179.24 179.82 1ddb h GLU 96 N -0.32 1.11 -0.24 0.28 -0.00 -1.18 -2.20 114.58 112.04 1ddb h GLU 96 Ca 0.00 -0.07 0.05 0.00 -0.00 0.00 0.00 59.36 59.35 1ddb h GLU 96 Cb 0.36 -0.25 -0.05 0.00 -0.00 0.00 0.00 28.75 28.81 1ddb h GLU 96 CO 0.00 0.73 -0.07 0.52 -0.00 0.00 0.00 179.01 180.20 1ddb h MET 97 N 1.14 -0.01 -1.71 1.06 2.86 0.22 0.12 114.93 118.61 1ddb h MET 97 Ca 0.42 0.00 0.50 0.00 -2.06 0.00 0.00 59.70 58.56 1ddb h MET 97 Cb 0.17 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 1ddb h MET 97 CO -0.17 -0.01 1.35 0.22 1.06 0.00 0.00 176.91 179.36 1ddb h ASP 98 N -0.01 0.00 -0.46 1.22 3.58 -1.02 1.70 116.42 121.43 1ddb h ASP 98 Ca 0.12 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.63 1ddb h ASP 98 Cb 0.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 1ddb h ASP 98 CO -0.25 0.00 0.14 -0.74 -2.88 0.00 0.00 179.24 175.51 1ddb h HIS 99 N 0.00 0.24 -2.13 0.28 2.76 -1.03 -3.36 115.15 111.92 1ddb h HIS 99 Ca 0.81 0.03 -0.46 0.00 -2.20 0.00 0.00 60.37 58.55 1ddb h HIS 99 Cb 3.51 -0.04 -0.33 0.00 1.55 0.00 0.00 27.41 32.10 1ddb h HIS 99 CO 0.00 0.06 -0.79 -0.80 -1.30 0.00 0.00 177.93 175.11 1ddb s ASN 100 N -5.36 1.43 -0.26 3.26 -0.87 0.58 -5.08 114.94 108.65 1ddb s ASN 100 Ca -0.13 -2.14 -0.03 0.00 -1.57 0.00 0.00 52.86 48.99 1ddb s ASN 100 Cb 0.14 0.19 0.10 0.00 -0.02 0.00 0.00 41.25 41.66 1ddb s ASN 100 CO 0.72 -0.23 0.16 -0.51 -2.57 0.00 0.00 177.10 174.68 1ddb s ILE 101 N 0.93 -0.16 0.00 0.60 2.07 -1.08 -4.91 121.20 118.65 1ddb s ILE 101 Ca 0.23 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 1ddb s ILE 101 Cb -0.11 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1ddb s ILE 101 CO -0.06 -0.55 0.00 1.67 -1.91 0.00 0.00 174.94 174.09 1ddb n GLN 102 N 5.27 0.00 0.13 3.50 0.00 -1.26 -4.51 117.38 120.52 1ddb n GLN 102 Ca -0.05 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.07 1ddb n GLN 102 Cb 0.45 0.00 0.45 0.00 0.00 0.00 0.00 30.24 31.14 1ddb n GLN 102 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1ddb h PRO 103 N 0.00 0.00 0.00 3.69 0.13 -2.00 -3.36 132.00 130.46 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 2.41 -0.23 0.00 0.00 178.00 180.18 1ddb n THR 104 N -2.36 0.00 -0.02 1.56 -1.04 -1.26 -4.99 114.28 106.18 1ddb n THR 104 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ddb n THR 104 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 -0.01 0.00 -4.42 7.94 -1.26 -4.93 117.00 114.32 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 44.36 1ddb n LEU 105 CO 0.00 0.00 0.37 1.33 -1.11 0.00 0.00 177.39 177.98 1ddb n VAL 106 N -0.08 0.00 -0.29 1.96 0.24 -1.26 0.34 118.33 119.24 1ddb n VAL 106 Ca 0.00 1.25 0.11 0.00 -2.04 0.00 0.00 64.34 63.66 1ddb n VAL 106 Cb 0.00 -2.18 0.25 0.00 -1.47 0.00 0.00 33.84 30.44 1ddb n VAL 106 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1ddb h ARG 107 N 0.00 0.13 -0.00 7.34 0.11 -1.92 1.54 114.38 121.57 1ddb h ARG 107 Ca 0.00 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1ddb h ARG 107 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.04 1ddb h ARG 107 CO 0.00 0.08 -0.40 0.37 0.10 0.00 0.00 179.97 180.12 1ddb h GLN 108 N 0.13 0.01 0.00 0.08 4.15 -1.87 0.24 115.11 117.84 1ddb h GLN 108 Ca 0.52 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.94 1ddb h GLN 108 Cb 1.02 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1ddb h GLN 108 CO -0.72 0.41 0.00 -0.11 -1.93 0.00 0.00 178.83 176.48 1ddb n LEU 109 N -4.06 0.27 -0.13 -2.39 -0.00 1.05 0.44 117.00 112.18 1ddb n LEU 109 Ca -0.02 0.70 -0.04 0.00 -0.00 0.00 0.00 56.01 56.65 1ddb n LEU 109 Cb 0.43 -0.34 0.04 0.00 -0.00 0.00 0.00 43.42 43.55 1ddb n LEU 109 CO 0.39 -0.34 0.87 0.00 -0.00 0.00 0.00 177.39 178.31 1ddb h ALA 110 N -2.00 0.42 0.00 1.96 0.00 -1.11 0.74 119.26 119.26 1ddb h ALA 110 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ddb h ALA 110 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ddb h ALA 110 CO 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1ddb h ALA 111 N 1.35 1.00 -0.05 0.00 0.00 -0.61 -2.41 119.26 118.54 1ddb h ALA 111 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ddb h ALA 111 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ddb h ALA 111 CO -0.31 0.00 -0.01 -0.56 0.00 0.00 0.00 179.25 178.37 1ddb h GLN 112 N 0.00 0.00 -0.17 0.00 3.07 0.56 -2.99 115.11 115.58 1ddb h GLN 112 Ca 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1ddb h GLN 112 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 1ddb h GLN 112 CO 0.00 0.00 -0.04 0.27 0.09 0.00 0.00 178.83 179.15 1ddb h PHE 113 N 0.00 0.37 -1.65 0.06 -5.15 -1.42 -3.43 116.94 105.73 1ddb h PHE 113 Ca 0.02 -0.08 -0.69 0.00 -0.20 0.00 0.00 57.97 57.03 1ddb h PHE 113 Cb 0.03 -0.09 0.01 0.00 0.22 0.00 0.00 35.95 36.12 1ddb h PHE 113 CO -0.11 0.60 1.05 0.00 -2.00 0.00 0.00 178.31 177.84 1ddb n MET 114 N -4.67 1.51 -0.68 6.09 0.00 -1.13 -4.90 117.12 113.34 1ddb n MET 114 Ca -0.05 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1ddb n MET 114 Cb 0.27 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 31.14 1ddb n MET 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1ddb n ASN 115 N 6.48 0.00 0.00 3.17 2.85 -1.26 -4.93 115.26 121.56 1ddb n ASN 115 Ca 0.27 -0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1ddb n ASN 115 Cb 0.20 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.22 1ddb n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ddb n GLY 116 N 0.00 0.96 2.63 8.20 0.00 -1.26 -4.37 105.19 111.35 1ddb n GLY 116 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.42 -2.34 -1.88 1.61 7.64 -1.26 -5.03 113.62 110.93 1ddb n SER 117 Ca 0.00 -3.05 -0.00 0.00 1.01 0.00 0.00 58.87 56.82 1ddb n SER 117 Cb 0.00 1.23 -0.00 0.00 -1.01 0.00 0.00 64.21 64.43 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 1.98 -3.85 -4.68 -3.43 0.00 -1.26 -4.97 117.00 100.79 1ddb n LEU 118 Ca 0.15 0.51 -0.35 0.00 0.00 0.00 0.00 56.01 56.32 1ddb n LEU 118 Cb 0.59 -1.76 -0.10 0.00 0.00 0.00 0.00 43.42 42.16 1ddb n LEU 118 CO 0.05 -1.08 -0.31 -0.55 0.00 0.00 0.00 177.39 175.50 1ddb s SER 119 N -0.48 5.23 -1.65 1.96 0.15 -1.26 -4.38 113.70 113.27 1ddb s SER 119 Ca -0.01 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1ddb s SER 119 Cb 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 1ddb s SER 119 CO 0.25 0.37 0.00 1.21 1.20 0.00 0.00 173.24 176.27 1ddb n GLU 120 N 2.20 -1.40 -2.86 5.44 2.13 -1.26 -3.34 120.64 121.54 1ddb n GLU 120 Ca -0.19 0.95 -0.05 0.00 0.66 0.00 0.00 57.16 58.53 1ddb n GLU 120 Cb 0.54 -5.39 0.01 0.00 0.27 0.00 0.00 31.44 26.86 1ddb n GLU 120 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ddb n GLU 121 N -2.68 -1.93 -1.40 5.31 1.02 -1.26 -4.76 120.64 114.94 1ddb n GLU 121 Ca -0.21 1.85 -0.00 0.00 -0.02 0.00 0.00 57.16 58.78 1ddb n GLU 121 Cb 0.65 -5.54 -0.00 0.00 -0.02 0.00 0.00 31.44 26.53 1ddb n GLU 121 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ddb n ASP 122 N -0.80 -3.60 0.37 1.62 -0.08 -1.22 -4.96 116.55 107.88 1ddb n ASP 122 Ca 0.08 0.46 -0.15 0.00 -1.51 0.00 0.00 54.79 53.66 1ddb n ASP 122 Cb 0.46 -2.07 -0.07 0.00 2.34 0.00 0.00 41.12 41.78 1ddb n ASP 122 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ddb h LYS 123 N 1.07 -0.94 0.00 -0.67 2.10 -1.85 -3.45 116.57 112.83 1ddb h LYS 123 Ca -0.02 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1ddb h LYS 123 Cb 0.05 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1ddb h LYS 123 CO 0.00 -0.63 0.00 0.54 -2.00 0.00 0.00 179.45 177.36 1ddb n ARG 124 N -5.38 0.00 -0.14 0.07 1.74 -1.26 -4.28 116.66 107.41 1ddb n ARG 124 Ca -0.12 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 1ddb n ARG 124 Cb 0.38 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.89 1ddb n ARG 124 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1ddb h ASN 125 N 0.00 0.91 0.05 0.55 -1.07 -1.98 -1.93 115.58 112.10 1ddb h ASN 125 Ca 0.00 -0.29 0.03 0.00 0.07 0.00 0.00 56.30 56.10 1ddb h ASN 125 Cb 0.00 -0.25 -0.05 0.00 -2.07 0.00 0.00 38.32 35.96 1ddb h ASN 125 CO 0.00 1.04 -0.35 0.00 0.07 0.00 0.00 177.43 178.18 1ddb h LEU 127 N -0.54 -0.98 -1.59 0.00 -0.00 -1.88 -0.49 115.31 109.83 1ddb h LEU 127 Ca 0.05 0.09 0.25 0.00 -0.00 0.00 0.00 57.88 58.27 1ddb h LEU 127 Cb 0.60 0.34 -0.07 0.00 -0.00 0.00 0.00 40.66 41.53 1ddb h LEU 127 CO -0.25 -0.43 0.67 0.00 -0.00 0.00 0.00 178.44 178.42 1ddb h ALA 128 N -1.09 2.43 -0.16 0.17 0.00 -1.07 1.36 119.26 120.90 1ddb h ALA 128 Ca -0.03 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ddb h ALA 128 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ddb h ALA 128 CO -0.09 -0.77 0.12 0.87 0.00 0.00 0.00 179.25 179.39 1ddb h LYS 129 N 0.29 0.00 -0.18 0.00 1.57 0.44 -0.06 116.57 118.63 1ddb h LYS 129 Ca 0.52 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.12 1ddb h LYS 129 Cb 1.52 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.84 1ddb h LYS 129 CO -0.17 0.00 -0.62 0.00 -0.57 0.00 0.00 179.45 178.09 1ddb h ALA 130 N 1.91 0.31 -0.85 3.86 0.00 0.25 -2.36 119.26 122.38 1ddb h ALA 130 Ca 0.08 -0.54 0.17 0.00 0.00 0.00 0.00 54.91 54.62 1ddb h ALA 130 Cb 0.32 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.92 1ddb h ALA 130 CO -0.00 0.57 -0.22 1.25 0.00 0.00 0.00 179.25 180.85 1ddb h LEU 131 N 0.44 -0.82 -0.29 0.00 6.46 -0.75 1.87 115.31 122.21 1ddb h LEU 131 Ca -0.03 0.26 -0.12 0.00 -0.12 0.00 0.00 57.88 57.87 1ddb h LEU 131 Cb 1.24 0.54 -0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1ddb h LEU 131 CO 0.13 -0.28 -0.29 0.44 -0.62 0.00 0.00 178.44 177.81 1ddb h ASP 132 N -0.00 0.76 0.69 1.25 5.19 -1.53 -0.44 116.42 122.33 1ddb h ASP 132 Ca 0.40 -0.47 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 1ddb h ASP 132 Cb 0.62 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 1ddb h ASP 132 CO -0.88 1.08 -0.46 -0.33 -3.12 0.00 0.00 179.24 175.53 1ddb h GLU 133 N 0.46 -1.05 -0.54 3.56 4.39 0.71 0.30 114.58 122.41 1ddb h GLU 133 Ca 0.05 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.90 1ddb h GLU 133 Cb 0.87 0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1ddb h GLU 133 CO 0.07 -0.70 0.36 -0.24 -1.16 0.00 0.00 179.01 177.35 1ddb h VAL 134 N -1.09 0.93 -0.01 3.13 3.04 0.25 1.15 116.25 123.64 1ddb h VAL 134 Ca -0.09 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1ddb h VAL 134 Cb 0.89 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1ddb h VAL 134 CO 0.07 0.07 0.00 1.17 -1.01 0.00 0.00 177.57 177.87 1ddb n LYS 135 N -4.47 1.08 -0.00 4.17 4.81 -0.18 -0.65 118.16 122.93 1ddb n LYS 135 Ca 0.08 -0.12 0.01 0.00 -0.87 0.00 0.00 58.31 57.41 1ddb n LYS 135 Cb 0.32 -1.38 -0.02 0.00 0.02 0.00 0.00 35.03 33.97 1ddb n LYS 135 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ddb n THR 136 N -0.74 0.00 -0.10 3.15 -2.24 0.36 -4.28 114.28 110.43 1ddb n THR 136 Ca 0.18 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1ddb n THR 136 Cb 0.11 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1ddb n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddb n ALA 137 N -1.41 1.49 -3.10 6.98 0.00 0.11 -4.78 120.51 119.80 1ddb n ALA 137 Ca -0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.37 1ddb n ALA 137 Cb 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1ddb n ALA 137 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ddb n PHE 138 N -4.08 3.00 -1.70 0.00 -1.74 0.18 -5.04 117.46 108.08 1ddb n PHE 138 Ca -0.34 -3.97 -0.31 0.00 -0.56 0.00 0.00 57.45 52.27 1ddb n PHE 138 Cb 0.69 -0.48 0.04 0.00 1.52 0.00 0.00 39.48 41.24 1ddb n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1ddb s PRO 139 N -2.94 3.06 0.00 3.97 0.04 -1.20 -4.05 135.00 133.88 1ddb s PRO 139 Ca 0.45 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1ddb s PRO 139 Cb 0.26 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ddb s PRO 139 CO -0.10 -1.00 0.00 0.54 0.04 0.00 0.00 177.00 176.48 1ddb n ARG 140 N -2.84 -1.44 0.00 4.56 1.74 -1.26 -4.54 116.66 112.88 1ddb n ARG 140 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1ddb n ARG 140 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1ddb n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ddb n ASP 141 N 1.97 0.00 0.12 0.55 9.92 -1.26 -3.47 116.55 124.38 1ddb n ASP 141 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1ddb n ASP 141 Cb 0.00 0.00 0.33 0.00 -0.64 0.00 0.00 41.12 40.81 1ddb n ASP 141 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1ddb h MET 142 N 0.00 0.20 0.61 -1.24 2.86 -1.99 0.69 114.93 116.06 1ddb h MET 142 Ca 0.00 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1ddb h MET 142 Cb 0.00 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.65 1ddb h MET 142 CO 0.00 0.46 -0.30 0.93 1.06 0.00 0.00 176.91 179.06 1ddb h GLU 143 N 0.19 -0.80 0.42 1.72 5.08 -1.96 -1.51 114.58 117.73 1ddb h GLU 143 Ca 0.03 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1ddb h GLU 143 Cb 0.56 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ddb h GLU 143 CO 0.04 -0.53 -0.20 -0.97 -1.00 0.00 0.00 179.01 176.35 1ddb h ASN 144 N -1.03 -0.48 -0.92 1.42 -1.24 -1.69 0.43 115.58 112.06 1ddb h ASN 144 Ca -0.08 -0.11 0.13 0.00 0.71 0.00 0.00 56.30 56.95 1ddb h ASN 144 Cb 0.63 0.12 -0.14 0.00 0.73 0.00 0.00 38.32 39.67 1ddb h ASN 144 CO 0.14 -0.10 -0.39 0.47 -1.29 0.00 0.00 177.43 176.25 1ddb n ASP 145 N -5.20 -0.67 0.12 1.15 8.00 0.24 0.33 116.55 120.52 1ddb n ASP 145 Ca -0.10 1.61 0.01 0.00 0.71 0.00 0.00 54.79 57.03 1ddb n ASP 145 Cb 0.29 -0.34 0.34 0.00 -0.02 0.00 0.00 41.12 41.39 1ddb n ASP 145 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ddb h LYS 146 N 0.00 0.21 -0.28 -1.24 3.64 -1.25 -2.47 116.57 115.17 1ddb h LYS 146 Ca 0.29 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1ddb h LYS 146 Cb 0.52 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ddb h LYS 146 CO -0.91 0.45 0.15 0.00 -2.27 0.00 0.00 179.45 176.87 1ddb h ALA 147 N 1.56 0.36 -0.48 5.00 0.00 0.76 -0.06 119.26 126.40 1ddb h ALA 147 Ca 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ddb h ALA 147 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ddb h ALA 147 CO 0.04 -0.11 0.29 0.52 0.00 0.00 0.00 179.25 179.99 1ddb h MET 148 N 0.34 0.56 0.26 0.00 2.86 0.11 -1.85 114.93 117.21 1ddb h MET 148 Ca 0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1ddb h MET 148 Cb 0.07 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ddb h MET 148 CO -0.02 0.37 -0.17 -0.07 1.06 0.00 0.00 176.91 178.08 1ddb h LEU 149 N 0.57 -0.42 -1.85 1.22 4.07 -1.15 -0.10 115.31 117.64 1ddb h LEU 149 Ca 0.19 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.29 1ddb h LEU 149 Cb 0.02 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1ddb h LEU 149 CO -0.09 -0.27 0.50 0.16 -1.08 0.00 0.00 178.44 177.67 1ddb h ILE 150 N -0.42 0.26 0.33 1.22 3.07 -0.69 -0.73 117.51 120.55 1ddb h ILE 150 Ca -0.02 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.39 1ddb h ILE 150 Cb 0.35 0.58 -0.03 0.00 -0.27 0.00 0.00 36.82 37.46 1ddb h ILE 150 CO 0.02 0.00 -0.37 0.24 -1.05 0.00 0.00 178.15 176.99 1ddb h MET 151 N 0.00 -0.71 -0.26 0.16 2.86 -0.16 0.52 114.93 117.33 1ddb h MET 151 Ca 0.18 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1ddb h MET 151 Cb 1.18 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1ddb h MET 151 CO -0.00 -0.47 0.16 0.00 1.06 0.00 0.00 176.91 177.65 1ddb h THR 152 N -0.74 1.10 -0.07 2.22 1.03 -1.16 -1.80 112.91 113.49 1ddb h THR 152 Ca -0.02 -0.23 0.02 0.00 -0.01 0.00 0.00 66.41 66.17 1ddb h THR 152 Cb 0.68 0.78 -0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1ddb h THR 152 CO -0.09 0.10 0.06 0.24 -0.01 0.00 0.00 175.52 175.81 1ddb h MET 153 N 0.33 0.00 0.08 0.00 2.07 -1.25 -2.00 114.93 114.15 1ddb h MET 153 Ca 0.09 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.73 1ddb h MET 153 Cb 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1ddb h MET 153 CO -0.02 0.00 -0.09 1.25 1.07 0.00 0.00 176.91 179.12 1ddb h LEU 154 N 0.00 -0.24 0.15 1.22 7.12 0.94 0.91 115.31 125.41 1ddb h LEU 154 Ca 0.03 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.08 1ddb h LEU 154 Cb 0.14 0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.32 1ddb h LEU 154 CO -0.00 -0.14 -0.53 -0.07 -0.13 0.00 0.00 178.44 177.57 1ddb h LEU 155 N -0.20 -1.59 0.23 2.25 4.07 -1.27 0.92 115.31 119.73 1ddb h LEU 155 Ca 0.01 0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1ddb h LEU 155 Cb 0.20 0.58 -0.03 0.00 1.08 0.00 0.00 40.66 42.49 1ddb h LEU 155 CO -0.04 -0.57 -0.37 0.00 -1.08 0.00 0.00 178.44 176.38 1ddb h ALA 156 N -0.57 -0.71 -0.85 1.53 0.00 -1.40 9.85 119.26 127.11 1ddb h ALA 156 Ca -0.01 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1ddb h ALA 156 Cb 0.77 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 1ddb h ALA 156 CO -0.27 -0.95 0.23 -0.22 0.00 0.00 0.00 179.25 178.04 1ddb h LYS 157 N -0.67 0.23 0.15 0.00 3.11 0.13 0.84 116.57 120.37 1ddb h LYS 157 Ca 0.00 -0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.60 1ddb h LYS 157 Cb 0.65 -0.05 0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1ddb h LYS 157 CO -0.15 0.15 -1.04 0.87 -2.81 0.00 0.00 179.45 176.48 1ddb h LYS 158 N 0.24 0.33 0.00 1.90 6.56 0.21 -2.71 116.57 123.09 1ddb h LYS 158 Ca 0.52 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1ddb h LYS 158 Cb 1.00 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1ddb h LYS 158 CO -0.61 1.27 0.00 0.28 -2.06 0.00 0.00 179.45 178.33 1ddb n VAL 159 N -4.02 0.00 -0.12 0.50 0.31 3.11 0.31 118.33 118.42 1ddb n VAL 159 Ca -0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.13 1ddb n VAL 159 Cb 0.88 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.78 1ddb n VAL 159 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ddb n ALA 160 N -3.00 -0.19 0.05 3.52 0.00 0.48 1.21 120.51 122.59 1ddb n ALA 160 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.71 1ddb n ALA 160 Cb 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.55 1ddb n ALA 160 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddb n SER 161 N -4.04 0.10 0.03 0.00 7.64 0.27 -3.67 113.62 113.96 1ddb n SER 161 Ca 0.01 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1ddb n SER 161 Cb 0.08 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1ddb n SER 161 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ddb n HIS 162 N -1.52 -1.88 -3.55 1.43 -0.00 5.68 -4.79 115.22 110.59 1ddb n HIS 162 Ca -0.00 0.20 -0.41 0.00 -0.00 0.00 0.00 57.72 57.50 1ddb n HIS 162 Cb 0.26 0.87 -0.09 0.00 -0.00 0.00 0.00 29.99 31.03 1ddb n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ddb s ALA 163 N -2.00 3.38 0.00 -1.41 0.00 9.92 -4.85 121.76 126.79 1ddb s ALA 163 Ca 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 51.96 49.51 1ddb s ALA 163 Cb 0.00 -2.80 -0.13 0.00 0.00 0.00 0.00 23.12 20.19 1ddb s ALA 163 CO 0.00 -1.84 2.38 -0.35 0.00 0.00 0.00 175.76 175.95 1ddb n PRO 164 N 4.93 1.24 0.01 0.00 -0.04 -1.25 0.18 135.00 140.07 1ddb n PRO 164 Ca -0.09 -0.49 0.11 0.00 -0.04 0.00 0.00 63.50 62.99 1ddb n PRO 164 Cb 0.41 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1ddb n PRO 164 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ddb n SER 165 N 2.28 0.51 -3.62 3.54 7.64 -1.26 -4.84 113.62 117.87 1ddb n SER 165 Ca 0.21 -0.33 -0.17 0.00 1.01 0.00 0.00 58.87 59.58 1ddb n SER 165 Cb 0.58 1.26 -0.15 0.00 -1.01 0.00 0.00 64.21 64.90 1ddb n SER 165 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ddb s LEU 166 N -3.93 -0.09 0.00 -3.43 1.02 -1.24 -4.69 118.68 106.32 1ddb s LEU 166 Ca 0.01 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.33 1ddb s LEU 166 Cb 0.15 0.32 0.00 0.00 0.02 0.00 0.00 46.19 46.67 1ddb s LEU 166 CO 0.86 -0.27 0.00 -0.11 0.02 0.00 0.00 176.35 176.85 1ddb n LEU 167 N 5.32 0.61 -0.34 1.79 7.94 -1.26 -3.61 117.00 127.45 1ddb n LEU 167 Ca -0.05 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.92 1ddb n LEU 167 Cb 0.50 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.68 1ddb n LEU 167 CO 0.05 0.00 1.19 0.08 -1.11 0.00 0.00 177.39 177.61 1ddb h ARG 168 N 0.00 0.85 -0.57 1.96 0.11 -1.91 0.29 114.38 115.12 1ddb h ARG 168 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1ddb h ARG 168 Cb 0.00 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 30.86 1ddb h ARG 168 CO 0.00 0.56 0.37 -0.44 0.10 0.00 0.00 179.97 180.56 1ddb h ASP 169 N 0.88 0.66 0.19 0.08 3.32 -1.98 -0.60 116.42 118.97 1ddb h ASP 169 Ca 0.49 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.52 1ddb h ASP 169 Cb 0.55 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1ddb h ASP 169 CO -0.29 0.49 -0.48 0.58 -1.72 0.00 0.00 179.24 177.82 1ddb h VAL 170 N 0.77 0.07 -0.21 -1.35 2.07 -1.02 0.15 116.25 116.73 1ddb h VAL 170 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.78 1ddb h VAL 170 Cb -0.07 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.71 1ddb h VAL 170 CO -0.04 0.00 -0.24 0.15 0.02 0.00 0.00 177.57 177.45 1ddb h PHE 171 N -0.76 -0.65 -0.97 1.57 3.57 -1.13 0.85 116.94 119.42 1ddb h PHE 171 Ca -0.00 0.04 0.22 0.00 3.53 0.00 0.00 57.97 61.75 1ddb h PHE 171 Cb 0.75 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.72 1ddb h PHE 171 CO -0.38 -0.32 0.62 1.25 -2.23 0.00 0.00 178.31 177.25 1ddb h HIS 172 N -0.27 0.72 -0.01 0.41 2.76 -0.65 -0.93 115.15 117.18 1ddb h HIS 172 Ca 0.12 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1ddb h HIS 172 Cb 0.46 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 1ddb h HIS 172 CO -0.38 0.15 -0.44 1.15 -1.30 0.00 0.00 177.93 177.12 1ddb h THR 173 N 0.51 0.13 0.13 6.26 2.02 0.18 3.03 112.91 125.17 1ddb h THR 173 Ca 0.53 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.71 1ddb h THR 173 Cb 1.18 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1ddb h THR 173 CO -0.26 0.00 -0.21 0.71 0.37 0.00 0.00 175.52 176.13 1ddb h THR 174 N -0.59 0.00 0.00 3.16 1.35 -1.01 0.14 112.91 115.97 1ddb h THR 174 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1ddb h THR 174 Cb 0.66 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 1ddb h THR 174 CO -0.33 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 175.46 1ddb n VAL 175 N -3.64 0.00 -0.05 6.82 0.31 -1.03 -2.74 118.33 118.01 1ddb n VAL 175 Ca -0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1ddb n VAL 175 Cb 0.18 -0.69 -0.01 0.00 -0.91 0.00 0.00 33.84 32.41 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 0.00 -0.52 4.52 -1.24 0.82 -2.91 115.58 116.25 1ddb h ASN 176 Ca 0.00 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 56.99 1ddb h ASN 176 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1ddb h ASN 176 CO 0.00 0.54 0.28 -0.26 -1.29 0.00 0.00 177.43 176.70 1ddb h PHE 177 N -1.00 0.51 0.17 0.67 -1.00 -1.09 0.51 116.94 115.70 1ddb h PHE 177 Ca -0.00 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1ddb h PHE 177 Cb 0.08 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 1ddb h PHE 177 CO 0.01 0.26 -0.38 0.82 -1.61 0.00 0.00 178.31 177.41 1ddb h ILE 178 N 0.54 0.22 -0.64 -0.55 2.04 -1.70 4.97 117.51 122.38 1ddb h ILE 178 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1ddb h ILE 178 Cb 0.11 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1ddb h ILE 178 CO -0.15 0.00 0.41 -0.55 0.00 0.00 0.00 178.15 177.86 1ddb h ASN 179 N -0.64 0.75 1.28 1.72 7.08 -1.27 0.11 115.58 124.62 1ddb h ASN 179 Ca 0.02 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1ddb h ASN 179 Cb 0.65 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 1ddb h ASN 179 CO -0.19 0.56 -0.09 0.00 -2.08 0.00 0.00 177.43 175.63 1ddb n GLN 180 N -4.42 0.21 0.00 4.14 1.13 0.18 -4.73 117.38 113.88 1ddb n GLN 180 Ca 0.06 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1ddb n GLN 180 Cb 0.05 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.68 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 -2.07 0.03 -2.90 1.08 5.15 1.61 -4.97 115.26 113.18 1ddb n ASN 181 Ca 0.06 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.69 1ddb n ASN 181 Cb 0.41 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.65 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 0.00 7.13 0.00 1.20 4.77 -1.24 -4.92 117.00 123.93 1ddb n LEU 182 Ca 0.00 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 1ddb n LEU 182 Cb 0.00 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1ddb n LEU 182 CO 0.00 1.83 0.00 0.33 -1.33 0.00 0.00 177.39 178.22 1ddb n PHE 183 N 0.50 0.00 -2.08 -1.77 7.35 -0.74 -3.54 117.46 117.18 1ddb n PHE 183 Ca 0.52 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.78 1ddb n PHE 183 Cb 0.38 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.18 1ddb n PHE 183 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1ddb s SER 184 N -0.27 6.05 0.00 -2.13 0.01 -1.26 -4.90 113.70 111.20 1ddb s SER 184 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1ddb s SER 184 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1ddb s SER 184 CO 0.00 -1.59 0.00 0.00 0.41 0.00 0.00 173.24 172.06 1ddb n TYR 185 N 9.71 0.00 -0.18 2.43 9.36 -1.23 -3.92 117.16 133.33 1ddb n TYR 185 Ca 0.21 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.42 1ddb n TYR 185 Cb 0.47 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.26 1ddb n TYR 185 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1ddb h VAL 186 N 0.00 0.68 -0.86 2.97 3.04 -1.94 0.74 116.25 120.88 1ddb h VAL 186 Ca 0.00 -0.08 0.15 0.00 -1.01 0.00 0.00 66.70 65.76 1ddb h VAL 186 Cb 0.00 0.41 -0.10 0.00 -2.01 0.00 0.00 31.29 29.60 1ddb h VAL 186 CO 0.00 0.04 0.44 0.08 -1.01 0.00 0.00 177.57 177.12 1ddb h ARG 187 N 0.24 0.59 0.05 4.17 -0.00 -1.96 0.24 114.38 117.70 1ddb h ARG 187 Ca 0.28 -0.04 0.01 0.00 -0.00 0.00 0.00 59.98 60.23 1ddb h ARG 187 Cb 0.40 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 1ddb h ARG 187 CO -0.37 0.39 -0.07 -0.91 -0.00 0.00 0.00 179.97 179.01 1ddb h ASN 188 N 0.61 -0.20 -0.60 0.08 4.21 -1.00 0.55 115.58 119.23 1ddb h ASN 188 Ca 0.47 0.02 0.05 0.00 1.21 0.00 0.00 56.30 58.06 1ddb h ASN 188 Cb 0.69 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.92 1ddb h ASN 188 CO -0.38 -0.11 0.32 -0.07 -1.29 0.00 0.00 177.43 175.90 1ddb h LEU 189 N -0.15 0.47 -0.71 1.61 3.38 -0.31 -0.82 115.31 118.78 1ddb h LEU 189 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ddb h LEU 189 Cb 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ddb h LEU 189 CO -0.04 0.31 0.40 0.58 0.09 0.00 0.00 178.44 179.78 1ddb h VAL 190 N 0.60 1.21 0.10 1.22 2.07 -0.01 0.44 116.25 121.88 1ddb h VAL 190 Ca 0.27 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ddb h VAL 190 Cb 0.17 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1ddb h VAL 190 CO -0.17 0.23 -0.31 -0.09 0.02 0.00 0.00 177.57 177.24 1ddb h ARG 191 N 0.97 -0.50 -0.53 1.57 2.43 0.14 -1.08 114.38 117.38 1ddb h ARG 191 Ca 0.25 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1ddb h ARG 191 Cb 0.01 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1ddb h ARG 191 CO -0.04 -0.34 0.19 -2.95 -1.51 0.00 0.00 179.97 175.32 1ddb h ASN 192 N -0.52 0.75 -3.69 -3.80 -1.07 -0.96 -3.37 115.58 102.91 1ddb h ASN 192 Ca 0.04 -0.19 -0.66 0.00 0.07 0.00 0.00 56.30 55.56 1ddb h ASN 192 Cb 0.56 -0.19 -0.40 0.00 -2.07 0.00 0.00 38.32 36.22 1ddb h ASN 192 CO -0.20 0.74 -0.72 -1.61 0.07 0.00 0.00 177.43 175.71 1ddb s GLU 193 N -5.47 1.47 -1.06 4.14 0.41 0.15 -5.04 118.70 113.31 1ddb s GLU 193 Ca -0.13 -1.88 -0.24 0.00 -0.41 0.00 0.00 54.97 52.31 1ddb s GLU 193 Cb 0.12 -3.18 -0.09 0.00 -1.78 0.00 0.00 34.13 29.19 1ddb s GLU 193 CO 0.79 -0.95 1.99 1.41 -0.49 0.00 0.00 175.26 178.01 1ddb s MET 194 N 0.89 2.29 0.00 1.61 -2.45 -0.47 -4.01 119.30 117.17 1ddb s MET 194 Ca 0.11 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 53.86 1ddb s MET 194 Cb -0.19 -5.12 0.00 0.00 1.25 0.00 0.00 34.83 30.77 1ddb s MET 194 CO -0.08 -4.01 0.04 -0.40 1.05 0.00 0.00 175.02 171.61