#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddb s LYS 3 N 0.00 4.17 0.38 1.64 1.02 -1.26 -4.92 119.74 120.77 2ddb s LYS 3 Ca 0.00 2.32 -0.26 0.00 0.02 0.00 0.00 55.97 58.04 2ddb s LYS 3 Cb 0.00 -3.96 -0.11 0.00 -0.52 0.00 0.00 37.83 33.23 2ddb s LYS 3 CO 0.00 -0.85 1.19 -1.71 -0.92 0.00 0.00 175.35 173.06 2ddb n ASN 4 N 6.96 2.21 -0.23 2.83 2.85 -1.26 -4.78 115.26 123.84 2ddb n ASN 4 Ca 0.18 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.79 2ddb n ASN 4 Cb 0.42 -1.44 0.23 0.00 1.24 0.00 0.00 39.78 40.23 2ddb n ASN 4 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2ddb h TYR 5 N 2.12 0.98 -0.30 1.20 -0.00 -1.99 -1.73 116.97 117.25 2ddb h TYR 5 Ca -0.45 0.02 0.04 0.00 -0.00 0.00 0.00 58.73 58.34 2ddb h TYR 5 Cb 1.30 -0.33 -0.04 0.00 -0.00 0.00 0.00 36.73 37.66 2ddb h TYR 5 CO 0.48 0.62 0.06 1.96 -0.00 0.00 0.00 178.16 181.28 2ddb h GLN 6 N 1.06 0.16 -0.58 0.10 4.20 -1.99 -0.03 115.11 118.03 2ddb h GLN 6 Ca 0.28 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 2ddb h GLN 6 Cb -0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2ddb h GLN 6 CO -0.06 0.11 0.08 -0.22 -0.67 0.00 0.00 178.83 178.06 2ddb h LYS 7 N 0.16 0.97 -0.60 1.46 3.64 -1.83 -2.03 116.57 118.35 2ddb h LYS 7 Ca 0.14 -0.27 0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2ddb h LYS 7 Cb 0.15 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 2ddb h LYS 7 CO -0.18 0.94 0.25 1.49 -2.27 0.00 0.00 179.45 179.68 2ddb h GLU 8 N 0.87 0.45 -0.12 1.90 4.81 -0.81 0.68 114.58 122.35 2ddb h GLU 8 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2ddb h GLU 8 Cb 0.45 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ddb h GLU 8 CO 0.01 0.30 -0.08 0.82 -0.73 0.00 0.00 179.01 179.33 2ddb h ILE 9 N 0.46 1.33 -0.13 2.32 2.04 -0.85 -1.46 117.51 121.22 2ddb h ILE 9 Ca 0.29 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2ddb h ILE 9 Cb 0.32 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2ddb h ILE 9 CO -0.27 0.34 0.06 0.58 0.00 0.00 0.00 178.15 178.86 2ddb h VAL 10 N -0.09 1.14 -0.82 1.67 2.07 -1.24 -1.55 116.25 117.43 2ddb h VAL 10 Ca 0.02 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2ddb h VAL 10 Cb 0.57 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2ddb h VAL 10 CO 0.02 0.13 0.51 0.44 0.02 0.00 0.00 177.57 178.69 2ddb h ASP 11 N 0.07 0.97 -0.22 0.57 3.32 -0.90 -0.59 116.42 119.64 2ddb h ASP 11 Ca 0.05 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2ddb h ASP 11 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2ddb h ASP 11 CO -0.00 0.74 0.05 0.50 -1.72 0.00 0.00 179.24 178.81 2ddb h LYS 12 N 1.12 0.36 -0.44 3.56 1.63 -1.13 -0.60 116.57 121.07 2ddb h LYS 12 Ca 0.30 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 60.03 2ddb h LYS 12 Cb -0.06 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 2ddb h LYS 12 CO -0.06 0.48 0.26 0.45 -3.45 0.00 0.00 179.45 177.13 2ddb h HIS 13 N 0.18 0.49 -0.36 1.91 3.86 -1.05 -2.32 115.15 117.85 2ddb h HIS 13 Ca 0.07 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 2ddb h HIS 13 Cb 0.29 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2ddb h HIS 13 CO 0.01 0.28 -0.20 -0.91 0.86 0.00 0.00 177.93 177.97 2ddb h ASN 14 N 0.52 0.68 -0.62 2.45 2.35 -0.96 0.50 115.58 120.51 2ddb h ASN 14 Ca 0.18 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2ddb h ASN 14 Cb 0.01 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2ddb h ASN 14 CO -0.08 0.88 0.26 0.00 -1.65 0.00 0.00 177.43 176.84 2ddb h ALA 15 N 1.18 0.80 -0.32 -0.83 0.00 -0.95 0.11 119.26 119.25 2ddb h ALA 15 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ddb h ALA 15 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ddb h ALA 15 CO 0.05 0.40 0.07 -0.07 0.00 0.00 0.00 179.25 179.69 2ddb h LEU 16 N 0.86 0.50 -0.72 0.00 3.38 -1.18 -3.06 115.31 115.07 2ddb h LEU 16 Ca 0.21 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2ddb h LEU 16 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2ddb h LEU 16 CO -0.02 0.62 -0.14 0.03 0.09 0.00 0.00 178.44 179.02 2ddb h ARG 17 N 0.36 0.84 0.00 1.13 3.08 -0.59 -2.68 114.38 116.53 2ddb h ARG 17 Ca 0.10 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2ddb h ARG 17 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2ddb h ARG 17 CO 0.00 0.92 0.00 2.89 -1.07 0.00 0.00 179.97 182.72 2ddb n ARG 18 N -4.15 0.03 -0.14 0.04 1.85 0.37 -3.57 116.66 111.09 2ddb n ARG 18 Ca 0.01 0.13 0.06 0.00 -1.00 0.00 0.00 57.85 57.05 2ddb n ARG 18 Cb 0.39 -1.54 0.13 0.00 -1.05 0.00 0.00 32.46 30.40 2ddb n ARG 18 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2ddb n SER 19 N -1.58 2.72 -4.78 2.89 7.64 -1.02 -4.92 113.62 114.57 2ddb n SER 19 Ca 0.05 -1.88 -0.41 0.00 1.01 0.00 0.00 58.87 57.64 2ddb n SER 19 Cb 0.27 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2ddb n SER 19 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ddb s VAL 20 N -0.99 2.03 -0.06 0.44 -7.23 -1.18 -5.03 120.40 108.38 2ddb s VAL 20 Ca 0.21 0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.45 2ddb s VAL 20 Cb 0.12 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 34.04 2ddb s VAL 20 CO 0.16 0.01 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.23 2ddb s LYS 21 N -2.19 2.03 0.68 4.82 -0.14 -1.26 -3.66 119.74 120.02 2ddb s LYS 21 Ca 0.55 -0.63 -0.17 0.00 -1.36 0.00 0.00 55.97 54.36 2ddb s LYS 21 Cb -0.46 -1.69 0.01 0.00 -1.68 0.00 0.00 37.83 34.02 2ddb s LYS 21 CO 0.62 0.20 1.25 -1.25 -0.76 0.00 0.00 175.35 175.41 2ddb s PRO 22 N 0.21 2.36 0.34 -1.68 0.04 -1.26 -5.00 135.00 130.01 2ddb s PRO 22 Ca -0.09 1.92 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 2ddb s PRO 22 Cb -0.14 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 2ddb s PRO 22 CO 0.04 -1.71 1.08 2.41 0.04 0.00 0.00 177.00 178.86 2ddb n THR 23 N -2.27 2.12 -3.80 1.26 -1.04 -1.24 -4.89 114.28 104.42 2ddb n THR 23 Ca 0.15 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.29 2ddb n THR 23 Cb 0.49 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 67.75 2ddb n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ddb s ALA 24 N -1.14 3.83 -0.59 2.41 0.00 -1.26 -1.40 121.76 123.62 2ddb s ALA 24 Ca 0.59 -0.57 0.22 0.00 0.00 0.00 0.00 51.96 52.19 2ddb s ALA 24 Cb -0.62 -2.06 -0.18 0.00 0.00 0.00 0.00 23.12 20.26 2ddb s ALA 24 CO 0.60 0.55 0.81 2.89 0.00 0.00 0.00 175.76 180.61 2ddb n ARG 25 N 2.13 0.29 -1.24 0.00 1.85 0.48 -2.61 116.66 117.55 2ddb n ARG 25 Ca -0.19 -0.06 0.04 0.00 -1.00 0.00 0.00 57.85 56.65 2ddb n ARG 25 Cb 0.54 -1.53 0.06 0.00 -1.05 0.00 0.00 32.46 30.48 2ddb n ARG 25 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2ddb n ASN 26 N -1.87 1.12 -4.62 2.89 6.94 -1.25 -1.45 115.26 117.02 2ddb n ASN 26 Ca 0.01 -2.42 -0.43 0.00 -0.02 0.00 0.00 54.58 51.72 2ddb n ASN 26 Cb 0.43 -0.35 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 2ddb n ASN 26 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2ddb s MET 27 N -0.73 3.85 0.47 -3.83 1.75 -1.26 -4.72 119.30 114.84 2ddb s MET 27 Ca 0.33 0.83 -0.21 0.00 -1.25 0.00 0.00 55.69 55.39 2ddb s MET 27 Cb 0.36 -3.85 -0.09 0.00 2.84 0.00 0.00 34.83 34.09 2ddb s MET 27 CO -0.14 -1.21 1.03 -0.51 -0.65 0.00 0.00 175.02 173.55 2ddb s LEU 28 N 4.24 3.88 0.17 4.11 1.43 -0.84 -0.33 118.68 131.33 2ddb s LEU 28 Ca 0.49 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 2ddb s LEU 28 Cb -0.10 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.51 2ddb s LEU 28 CO 0.25 -0.71 1.09 -1.58 0.23 0.00 0.00 176.35 175.64 2ddb s GLN 29 N -3.18 4.59 0.24 1.70 0.74 0.38 -4.77 119.66 119.36 2ddb s GLN 29 Ca 0.66 1.70 -0.10 0.00 0.05 0.00 0.00 55.36 57.67 2ddb s GLN 29 Cb -0.16 -3.29 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 2ddb s GLN 29 CO 0.19 0.07 0.56 -1.64 -0.55 0.00 0.00 175.29 173.93 2ddb s MET 30 N -0.29 3.81 0.10 1.67 -1.94 -1.26 -4.71 119.30 116.68 2ddb s MET 30 Ca 0.50 0.29 -0.00 0.00 -1.71 0.00 0.00 55.69 54.77 2ddb s MET 30 Cb -0.29 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 2ddb s MET 30 CO 0.34 0.30 -0.00 -1.59 -0.01 0.00 0.00 175.02 174.06 2ddb s LYS 31 N -2.85 0.82 0.30 2.03 -2.85 0.06 -4.97 119.74 112.29 2ddb s LYS 31 Ca 0.48 -1.36 -0.29 0.00 -1.00 0.00 0.00 55.97 53.80 2ddb s LYS 31 Cb -0.11 0.09 -0.10 0.00 -2.06 0.00 0.00 37.83 35.65 2ddb s LYS 31 CO 0.21 -0.15 1.20 -0.46 0.10 0.00 0.00 175.35 176.26 2ddb s TRP 32 N -3.88 3.32 -0.12 1.78 -0.11 -1.26 -1.19 118.94 117.48 2ddb s TRP 32 Ca 0.16 1.55 -0.00 0.00 1.22 0.00 0.00 56.10 59.03 2ddb s TRP 32 Cb 0.07 -3.48 0.03 0.00 -1.50 0.00 0.00 33.47 28.59 2ddb s TRP 32 CO -0.03 -1.20 -0.08 1.21 -4.62 0.00 0.00 176.95 172.23 2ddb s ASN 33 N -0.65 2.33 0.26 5.86 3.84 0.28 -4.80 114.94 122.06 2ddb s ASN 33 Ca 0.47 -0.38 0.04 0.00 0.21 0.00 0.00 52.86 53.20 2ddb s ASN 33 Cb -0.36 -0.88 0.33 0.00 -0.55 0.00 0.00 41.25 39.79 2ddb s ASN 33 CO 0.46 -0.12 1.63 0.28 -2.79 0.00 0.00 177.10 176.56 2ddb h SER 34 N 8.16 0.33 -0.42 -4.21 0.02 -1.97 -2.03 113.55 113.43 2ddb h SER 34 Ca -0.30 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2ddb h SER 34 Cb 1.13 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 2ddb h SER 34 CO 0.42 0.76 0.18 -0.74 -1.14 0.00 0.00 176.83 176.31 2ddb h HIS 35 N 0.25 0.63 -0.84 3.45 -0.00 -1.97 -0.96 115.15 115.71 2ddb h HIS 35 Ca 0.01 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.37 2ddb h HIS 35 Cb 0.94 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 28.11 2ddb h HIS 35 CO 0.02 0.54 0.54 0.00 -0.00 0.00 0.00 177.93 179.04 2ddb h ALA 36 N 1.02 1.09 -0.87 5.26 0.00 -1.89 -2.47 119.26 121.40 2ddb h ALA 36 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2ddb h ALA 36 Cb 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2ddb h ALA 36 CO -0.01 0.40 0.49 0.00 0.00 0.00 0.00 179.25 180.12 2ddb h ALA 37 N 1.34 1.22 -0.27 0.00 0.00 -0.88 -1.50 119.26 119.16 2ddb h ALA 37 Ca 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2ddb h ALA 37 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2ddb h ALA 37 CO -0.10 0.64 0.07 1.96 0.00 0.00 0.00 179.25 181.82 2ddb h GLN 38 N 1.22 0.43 -0.30 0.00 4.20 -0.94 -0.21 115.11 119.50 2ddb h GLN 38 Ca 0.31 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.95 2ddb h GLN 38 Cb 0.01 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2ddb h GLN 38 CO -0.05 0.51 0.10 -0.91 -0.67 0.00 0.00 178.83 177.81 2ddb h ASN 39 N 0.27 0.10 -0.41 1.46 2.35 -1.26 -1.05 115.58 117.03 2ddb h ASN 39 Ca 0.09 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2ddb h ASN 39 Cb 0.27 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2ddb h ASN 39 CO -0.00 0.09 0.22 0.00 -1.65 0.00 0.00 177.43 176.09 2ddb h ALA 40 N 1.19 0.52 -0.24 -0.83 0.00 -1.09 -1.89 119.26 116.92 2ddb h ALA 40 Ca 0.13 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ddb h ALA 40 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ddb h ALA 40 CO -0.14 -0.13 0.10 -0.22 0.00 0.00 0.00 179.25 178.87 2ddb h LYS 41 N 0.44 0.22 -0.93 0.00 3.64 -0.81 0.17 116.57 119.31 2ddb h LYS 41 Ca 0.17 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 2ddb h LYS 41 Cb 0.06 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 2ddb h LYS 41 CO -0.11 0.15 0.60 0.00 -2.27 0.00 0.00 179.45 177.82 2ddb h ARG 42 N 0.23 0.93 -0.02 1.90 3.08 -0.87 -1.02 114.38 118.62 2ddb h ARG 42 Ca 0.10 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2ddb h ARG 42 Cb 0.04 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2ddb h ARG 42 CO -0.08 0.62 -0.15 2.35 -1.07 0.00 0.00 179.97 181.63 2ddb h TRP 43 N 0.96 0.19 -0.97 3.04 2.91 -0.88 -3.33 115.95 117.88 2ddb h TRP 43 Ca 0.43 -0.09 0.06 0.00 1.13 0.00 0.00 58.89 60.42 2ddb h TRP 43 Cb 0.37 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.93 2ddb h TRP 43 CO -0.00 0.82 0.63 0.00 -1.03 0.00 0.00 178.44 178.86 2ddb h ALA 44 N 0.33 1.43 0.00 2.65 0.00 -0.38 -1.94 119.26 121.35 2ddb h ALA 44 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ddb h ALA 44 Cb 0.85 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ddb h ALA 44 CO 0.03 0.44 0.00 -0.44 0.00 0.00 0.00 179.25 179.28 2ddb h ASP 45 N 1.14 0.00 0.93 0.00 3.32 -1.31 -2.10 116.42 118.40 2ddb h ASP 45 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2ddb h ASP 45 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2ddb h ASP 45 CO -0.15 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.91 2ddb n ARG 46 N -2.73 0.09 -3.41 3.56 1.74 -0.73 -4.94 116.66 110.24 2ddb n ARG 46 Ca -0.00 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2ddb n ARG 46 Cb 0.18 -1.63 0.04 0.00 -1.02 0.00 0.00 32.46 30.03 2ddb n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ddb s THR 48 N -3.22 2.58 -1.17 0.00 2.01 -1.26 -5.04 115.64 109.53 2ddb s THR 48 Ca 0.47 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 2ddb s THR 48 Cb -0.22 -2.17 0.07 0.00 0.01 0.00 0.00 72.50 70.19 2ddb s THR 48 CO 0.59 0.43 1.60 0.12 -0.69 0.00 0.00 174.62 176.67 2ddb s PHE 49 N 1.34 2.70 0.24 4.92 5.36 -1.26 -4.84 117.98 126.45 2ddb s PHE 49 Ca 0.04 -1.31 -0.21 0.00 -0.96 0.00 0.00 56.93 54.49 2ddb s PHE 49 Cb -0.14 -4.72 0.03 0.00 -0.34 0.00 0.00 43.02 37.85 2ddb s PHE 49 CO -0.09 -1.85 0.67 0.00 -1.46 0.00 0.00 175.22 172.50 2ddb s ALA 50 N 4.45 -1.27 0.22 11.12 0.00 -1.26 -5.14 121.76 129.89 2ddb s ALA 50 Ca 0.50 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 2ddb s ALA 50 Cb 0.02 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.92 2ddb s ALA 50 CO -0.00 -0.95 1.08 -1.01 0.00 0.00 0.00 175.76 174.87 2ddb s HIS 51 N -3.88 3.65 0.56 0.00 3.76 -1.26 -5.03 115.29 113.09 2ddb s HIS 51 Ca 0.09 1.68 -0.19 0.00 -0.15 0.00 0.00 55.06 56.50 2ddb s HIS 51 Cb -0.04 -3.23 -0.05 0.00 1.11 0.00 0.00 32.58 30.36 2ddb s HIS 51 CO 0.01 -0.42 1.13 -1.54 -0.85 0.00 0.00 174.74 173.07 2ddb s SER 52 N -0.54 5.61 0.26 1.40 1.04 -1.26 -4.99 113.70 115.22 2ddb s SER 52 Ca 0.46 2.16 -0.31 0.00 0.48 0.00 0.00 55.95 58.74 2ddb s SER 52 Cb -0.30 -2.58 -0.13 0.00 0.10 0.00 0.00 66.02 63.12 2ddb s SER 52 CO 0.37 -1.30 1.46 -2.65 0.98 0.00 0.00 173.24 172.10 2ddb n PRO 53 N -1.49 2.24 -0.29 4.02 -0.02 -1.26 -4.88 135.00 133.31 2ddb n PRO 53 Ca 0.11 0.80 0.22 0.00 -2.02 0.00 0.00 63.50 62.62 2ddb n PRO 53 Cb 0.51 -2.49 0.53 0.00 -0.02 0.00 0.00 33.50 32.03 2ddb n PRO 53 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ddb h PRO 54 N 4.29 0.35 0.00 0.52 0.11 -1.94 -0.63 132.00 134.70 2ddb h PRO 54 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2ddb h PRO 54 Cb 1.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ddb h PRO 54 CO 0.76 0.23 -0.03 -2.95 -0.21 0.00 0.00 178.00 175.81 2ddb h ASN 55 N 0.37 0.00 0.56 -2.05 -1.07 -1.98 -1.85 115.58 109.56 2ddb h ASN 55 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.92 2ddb h ASN 55 Cb 1.45 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.70 2ddb h ASN 55 CO -0.23 0.03 -0.04 0.35 0.07 0.00 0.00 177.43 177.61 2ddb n THR 56 N -3.13 0.00 -3.01 6.14 -2.24 -0.24 -4.16 114.28 107.64 2ddb n THR 56 Ca 0.00 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 2ddb n THR 56 Cb 0.32 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 2ddb n THR 56 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2ddb n ARG 57 N -1.23 1.96 -4.46 -0.78 1.85 -0.70 -4.84 116.66 108.45 2ddb n ARG 57 Ca 0.13 -3.97 -0.31 0.00 -1.00 0.00 0.00 57.85 52.70 2ddb n ARG 57 Cb 0.26 -1.89 -0.11 0.00 -1.05 0.00 0.00 32.46 29.67 2ddb n ARG 57 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2ddb s THR 58 N -3.43 3.35 -0.35 8.89 -4.23 -1.26 -1.87 115.64 116.75 2ddb s THR 58 Ca 0.43 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 2ddb s THR 58 Cb 0.34 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.81 2ddb s THR 58 CO -0.10 0.31 0.08 -0.69 -0.54 0.00 0.00 174.62 173.69 2ddb s VAL 59 N -1.03 1.87 0.00 2.29 1.01 -0.24 -4.94 120.40 119.35 2ddb s VAL 59 Ca 0.17 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2ddb s VAL 59 Cb -0.11 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2ddb s VAL 59 CO 0.08 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.15 2ddb n GLY 60 N 4.32 3.64 0.12 4.51 0.00 -1.26 -1.55 105.19 114.98 2ddb n GLY 60 Ca 0.03 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2ddb n GLY 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ddb h LYS 61 N 0.00 0.00 -5.86 1.61 -0.00 -2.00 -3.46 116.57 106.86 2ddb h LYS 61 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 60.65 60.02 2ddb h LYS 61 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 32.17 2ddb h LYS 61 CO 0.00 0.00 -0.30 -0.51 -0.00 0.00 0.00 179.45 178.64 2ddb s LEU 62 N -4.71 4.43 0.06 7.07 1.43 -0.59 -5.06 118.68 121.31 2ddb s LEU 62 Ca 0.10 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 53.79 2ddb s LEU 62 Cb 0.11 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 2ddb s LEU 62 CO 0.60 0.34 0.55 -0.60 0.23 0.00 0.00 176.35 177.46 2ddb s ARG 63 N -0.96 4.16 0.03 1.70 3.00 -1.26 -1.08 118.95 124.55 2ddb s ARG 63 Ca 0.21 0.70 0.05 0.00 -1.00 0.00 0.00 55.73 55.68 2ddb s ARG 63 Cb -0.15 -3.23 -0.03 0.00 0.00 0.00 0.00 34.95 31.53 2ddb s ARG 63 CO 0.10 0.65 -0.10 0.00 0.00 0.00 0.00 175.30 175.95 2ddb n GLY 65 N 1.37 0.08 3.58 0.00 0.00 0.91 -4.78 105.19 106.36 2ddb n GLY 65 Ca -0.15 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 2ddb n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ddb s GLU 66 N -3.59 0.72 -0.03 1.61 2.12 -1.26 -1.31 118.70 116.94 2ddb s GLU 66 Ca 0.25 1.06 0.04 0.00 0.36 0.00 0.00 54.97 56.68 2ddb s GLU 66 Cb -0.01 0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2ddb s GLU 66 CO 0.17 -0.13 -0.13 -0.80 -0.54 0.00 0.00 175.26 173.84 2ddb s ASN 67 N 1.05 4.15 0.04 -1.70 0.02 -0.09 -4.98 114.94 113.43 2ddb s ASN 67 Ca -0.06 -0.20 0.07 0.00 -1.02 0.00 0.00 52.86 51.66 2ddb s ASN 67 Cb -0.05 -0.88 -0.02 0.00 0.02 0.00 0.00 41.25 40.31 2ddb s ASN 67 CO -0.10 0.33 -0.20 0.27 0.02 0.00 0.00 177.10 177.41 2ddb s ILE 68 N -0.80 1.63 -0.05 0.60 -4.36 -1.26 -1.59 121.20 115.37 2ddb s ILE 68 Ca 0.13 -1.17 -0.05 0.00 -0.26 0.00 0.00 60.65 59.30 2ddb s ILE 68 Cb -0.11 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.20 2ddb s ILE 68 CO 0.02 0.21 0.14 0.12 0.24 0.00 0.00 174.94 175.67 2ddb s PHE 69 N -0.78 -0.16 -0.01 1.37 5.36 -0.06 -5.00 117.98 118.69 2ddb s PHE 69 Ca 0.07 0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.44 2ddb s PHE 69 Cb -0.09 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 2ddb s PHE 69 CO 0.02 -0.08 -0.02 1.41 -1.46 0.00 0.00 175.22 175.09 2ddb s MET 70 N 0.11 0.24 0.07 10.12 -2.45 -1.26 -0.40 119.30 125.73 2ddb s MET 70 Ca -0.00 -0.03 -0.06 0.00 -1.25 0.00 0.00 55.69 54.34 2ddb s MET 70 Cb -0.01 -0.30 -0.01 0.00 1.25 0.00 0.00 34.83 35.75 2ddb s MET 70 CO -0.00 -0.01 0.11 -1.54 1.05 0.00 0.00 175.02 174.63 2ddb s SER 71 N 0.32 0.24 0.02 1.11 1.04 -0.89 -4.98 113.70 110.57 2ddb s SER 71 Ca -0.03 -0.75 0.25 0.00 0.48 0.00 0.00 55.95 55.90 2ddb s SER 71 Cb -0.06 0.29 0.56 0.00 0.10 0.00 0.00 66.02 66.91 2ddb s SER 71 CO -0.01 -0.67 1.46 -1.54 0.98 0.00 0.00 173.24 173.46 2ddb n SER 72 N 0.05 0.48 -4.36 7.02 3.41 -1.26 -0.96 113.62 117.99 2ddb n SER 72 Ca -0.15 -0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.09 2ddb n SER 72 Cb 0.62 0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.57 2ddb n SER 72 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ddb s GLN 73 N -3.03 1.52 0.52 4.33 -1.52 -1.26 -4.18 119.66 116.03 2ddb s GLN 73 Ca 0.10 -1.24 -0.20 0.00 -1.95 0.00 0.00 55.36 52.07 2ddb s GLN 73 Cb 0.17 -1.88 -0.06 0.00 -0.22 0.00 0.00 33.01 31.02 2ddb s GLN 73 CO 0.68 0.46 1.14 -1.25 -0.25 0.00 0.00 175.29 176.08 2ddb s PRO 74 N -1.73 3.45 0.06 2.91 0.04 -1.26 -4.84 135.00 133.63 2ddb s PRO 74 Ca 0.12 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.89 2ddb s PRO 74 Cb -0.10 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2ddb s PRO 74 CO 0.04 -0.79 -0.17 -0.06 0.04 0.00 0.00 177.00 176.07 2ddb s PHE 75 N -1.70 1.46 0.55 0.56 0.08 -1.26 -5.12 117.98 112.55 2ddb s PHE 75 Ca 0.71 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 57.15 2ddb s PHE 75 Cb -0.25 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.31 2ddb s PHE 75 CO 0.29 0.09 1.27 -1.25 -0.10 0.00 0.00 175.22 175.53 2ddb s PRO 76 N -1.50 3.15 0.39 0.24 0.04 -1.26 -4.86 135.00 131.20 2ddb s PRO 76 Ca 0.03 2.01 0.15 0.00 0.04 0.00 0.00 61.00 63.23 2ddb s PRO 76 Cb -0.09 -2.15 1.00 0.00 0.04 0.00 0.00 34.50 33.30 2ddb s PRO 76 CO 0.02 -1.12 1.83 -1.49 0.04 0.00 0.00 177.00 176.29 2ddb h TRP 77 N 1.31 0.67 -0.85 0.56 4.06 -1.98 -1.04 115.95 118.69 2ddb h TRP 77 Ca -0.50 0.02 0.07 0.00 2.06 0.00 0.00 58.89 60.54 2ddb h TRP 77 Cb 1.29 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 29.18 2ddb h TRP 77 CO 0.47 0.17 0.51 0.77 -3.56 0.00 0.00 178.44 176.80 2ddb h SER 78 N 0.50 0.78 -0.30 -3.49 0.02 -1.90 -1.17 113.55 107.99 2ddb h SER 78 Ca 0.50 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.35 2ddb h SER 78 Cb 1.11 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2ddb h SER 78 CO -0.23 0.48 -0.29 1.23 -1.14 0.00 0.00 176.83 176.89 2ddb h GLY 79 N 0.91 0.88 0.80 -3.77 0.00 -1.56 -1.89 103.07 98.45 2ddb h GLY 79 Ca 0.38 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2ddb h GLY 79 CO -0.20 0.74 0.02 -2.08 0.00 0.00 0.00 176.54 175.01 2ddb h VAL 80 N 0.69 1.18 -0.56 4.60 2.07 -1.03 -0.46 116.25 122.75 2ddb h VAL 80 Ca 0.08 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2ddb h VAL 80 Cb 0.83 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 2ddb h VAL 80 CO 0.07 0.15 0.24 0.58 0.02 0.00 0.00 177.57 178.64 2ddb h VAL 81 N -0.12 1.21 -0.86 2.57 2.07 -1.27 -2.35 116.25 117.51 2ddb h VAL 81 Ca 0.02 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 66.99 2ddb h VAL 81 Cb 0.23 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2ddb h VAL 81 CO -0.00 0.25 0.56 -0.61 0.02 0.00 0.00 177.57 177.79 2ddb h GLN 82 N 0.76 0.83 -0.49 1.57 5.75 -1.25 -1.02 115.11 121.27 2ddb h GLN 82 Ca 0.19 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.51 2ddb h GLN 82 Cb 0.16 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2ddb h GLN 82 CO -0.02 0.55 -0.20 0.00 -2.65 0.00 0.00 178.83 176.51 2ddb h ALA 83 N 1.56 0.68 -0.22 3.38 0.00 -0.59 0.89 119.26 124.97 2ddb h ALA 83 Ca 0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ddb h ALA 83 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ddb h ALA 83 CO -0.16 0.66 0.08 -1.49 0.00 0.00 0.00 179.25 178.34 2ddb h TRP 84 N 0.85 0.34 -0.92 0.00 6.55 -1.17 -3.07 115.95 118.53 2ddb h TRP 84 Ca 0.11 -0.03 0.08 0.00 0.95 0.00 0.00 58.89 60.01 2ddb h TRP 84 Cb 0.78 -0.10 -0.06 0.00 -0.86 0.00 0.00 29.16 28.91 2ddb h TRP 84 CO 0.05 0.38 0.59 -0.92 -1.05 0.00 0.00 178.44 177.49 2ddb h TYR 85 N 0.20 1.03 0.00 0.49 3.20 -0.89 -2.79 116.97 118.21 2ddb h TYR 85 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2ddb h TYR 85 Cb 0.18 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2ddb h TYR 85 CO -0.01 0.51 0.00 -0.25 -1.64 0.00 0.00 178.16 176.77 2ddb n ASP 86 N -4.51 0.00 0.14 -2.11 8.00 0.28 -0.98 116.55 117.37 2ddb n ASP 86 Ca 0.15 0.24 0.09 0.00 0.71 0.00 0.00 54.79 55.97 2ddb n ASP 86 Cb 0.25 -0.34 0.48 0.00 -0.02 0.00 0.00 41.12 41.49 2ddb n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ddb n GLU 87 N -1.34 0.11 0.29 -1.24 1.02 -1.08 -1.89 120.64 116.51 2ddb n GLU 87 Ca 0.04 0.61 0.18 0.00 -0.02 0.00 0.00 57.16 57.97 2ddb n GLU 87 Cb 0.08 -1.90 0.97 0.00 -0.02 0.00 0.00 31.44 30.57 2ddb n GLU 87 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2ddb h ILE 88 N 0.00 0.28 0.00 -3.67 2.10 -1.31 -1.24 117.51 113.67 2ddb h ILE 88 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2ddb h ILE 88 Cb 0.05 0.90 -0.00 0.00 -1.09 0.00 0.00 36.82 36.68 2ddb h ILE 88 CO 0.00 0.00 -0.00 0.11 -1.08 0.00 0.00 178.15 177.18 2ddb h LYS 89 N 0.00 0.00 -0.23 2.19 1.57 -1.64 -1.53 116.57 116.93 2ddb h LYS 89 Ca 0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2ddb h LYS 89 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2ddb h LYS 89 CO -0.00 0.00 -0.05 0.09 -0.57 0.00 0.00 179.45 178.92 2ddb n ASN 90 N -3.23 3.03 -4.23 0.86 5.03 -0.47 -5.02 115.26 111.25 2ddb n ASN 90 Ca -0.03 -3.32 -0.29 0.00 0.87 0.00 0.00 54.58 51.81 2ddb n ASN 90 Cb 0.08 -0.55 -0.16 0.00 -1.02 0.00 0.00 39.78 38.13 2ddb n ASN 90 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2ddb s PHE 91 N -3.00 2.07 -0.14 3.10 5.36 -0.58 -0.62 117.98 124.17 2ddb s PHE 91 Ca 0.41 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2ddb s PHE 91 Cb 0.35 -1.35 0.02 0.00 -0.34 0.00 0.00 43.02 41.70 2ddb s PHE 91 CO 0.04 -0.11 -0.15 0.08 -1.46 0.00 0.00 175.22 173.62 2ddb s VAL 92 N -0.30 1.59 0.04 3.12 1.01 0.05 -4.91 120.40 121.00 2ddb s VAL 92 Ca 0.02 -0.66 -0.34 0.00 0.00 0.00 0.00 61.98 61.01 2ddb s VAL 92 Cb -0.11 -1.47 -0.13 0.00 0.00 0.00 0.00 36.38 34.67 2ddb s VAL 92 CO 0.01 0.46 1.74 0.00 0.00 0.00 0.00 175.10 177.31 2ddb n TYR 93 N 4.59 2.33 0.00 5.22 4.19 -1.26 -0.67 117.16 131.56 2ddb n TYR 93 Ca -0.18 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.14 2ddb n TYR 93 Cb 0.50 -2.62 0.00 0.00 0.49 0.00 0.00 39.34 37.72 2ddb n TYR 93 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2ddb n GLY 94 N 3.94 1.90 0.56 2.98 0.00 0.39 -4.80 105.19 110.16 2ddb n GLY 94 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2ddb n GLY 94 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ddb n ILE 95 N -2.00 0.64 0.00 -0.61 2.08 0.11 -4.90 119.36 114.68 2ddb n ILE 95 Ca 0.00 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.14 2ddb n ILE 95 Cb 0.00 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.34 2ddb n ILE 95 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ddb n GLY 96 N 2.37 0.83 3.73 7.39 0.00 0.16 -4.75 105.19 114.91 2ddb n GLY 96 Ca -0.22 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2ddb n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddb s ALA 97 N -2.00 3.62 -0.24 4.61 0.00 -1.26 -0.77 121.76 125.73 2ddb s ALA 97 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 2ddb s ALA 97 Cb 0.00 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.68 2ddb s ALA 97 CO 0.00 -0.66 0.26 0.21 0.00 0.00 0.00 175.76 175.57 2ddb s LYS 98 N 0.55 0.25 0.71 0.00 2.20 0.20 -3.45 119.74 120.20 2ddb s LYS 98 Ca 0.63 0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 56.21 2ddb s LYS 98 Cb -0.39 -0.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.99 2ddb s LYS 98 CO 0.35 -0.77 1.20 -2.30 -0.36 0.00 0.00 175.35 173.47 2ddb n PRO 99 N 5.32 0.70 0.28 4.03 -0.02 -1.26 -4.39 135.00 139.66 2ddb n PRO 99 Ca -0.04 0.30 0.17 0.00 -2.02 0.00 0.00 63.50 61.91 2ddb n PRO 99 Cb 0.48 -2.44 0.81 0.00 -0.02 0.00 0.00 33.50 32.34 2ddb n PRO 99 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ddb h PRO 100 N -0.07 0.00 -0.00 0.52 0.11 -1.94 -1.75 132.00 128.87 2ddb h PRO 100 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ddb h PRO 100 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2ddb h PRO 100 CO 0.50 0.05 -0.03 0.41 -0.21 0.00 0.00 178.00 178.71 2ddb n GLY 101 N -0.43 -1.01 3.76 -0.55 0.00 -1.26 -4.79 105.19 100.91 2ddb n GLY 101 Ca -0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2ddb n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddb s SER 102 N -2.34 6.03 -0.21 1.61 0.01 -0.66 -5.01 113.70 113.13 2ddb s SER 102 Ca 0.35 2.65 -0.22 0.00 1.31 0.00 0.00 55.95 60.04 2ddb s SER 102 Cb 0.21 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2ddb s SER 102 CO 0.43 -1.04 0.69 -0.69 0.41 0.00 0.00 173.24 173.04 2ddb s VAL 103 N -1.31 4.96 0.00 3.43 1.01 -1.26 -4.81 120.40 122.42 2ddb s VAL 103 Ca 0.61 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2ddb s VAL 103 Cb -0.38 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2ddb s VAL 103 CO 0.47 0.05 0.36 2.30 0.00 0.00 0.00 175.10 178.28 2ddb n ILE 104 N 4.90 0.00 0.29 2.22 -5.35 -1.26 -4.84 119.36 115.31 2ddb n ILE 104 Ca 0.01 -0.45 0.16 0.00 -0.27 0.00 0.00 62.75 62.19 2ddb n ILE 104 Cb 0.49 1.08 0.86 0.00 -1.74 0.00 0.00 39.64 40.33 2ddb n ILE 104 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2ddb h GLY 105 N 0.00 0.00 0.80 3.28 0.00 -1.96 -1.50 103.07 103.69 2ddb h GLY 105 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2ddb h GLY 105 CO 0.00 0.00 -0.69 0.45 0.00 0.00 0.00 176.54 176.30 2ddb h HIS 106 N 0.00 0.63 -0.20 5.60 3.86 -1.88 -2.85 115.15 120.31 2ddb h HIS 106 Ca -0.00 -0.37 0.03 0.00 -1.16 0.00 0.00 60.37 58.87 2ddb h HIS 106 Cb 0.21 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 2ddb h HIS 106 CO 0.00 1.21 0.03 -0.92 0.86 0.00 0.00 177.93 179.11 2ddb h TYR 107 N -0.12 0.05 -0.23 2.45 3.20 -1.20 -1.71 116.97 119.40 2ddb h TYR 107 Ca -0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2ddb h TYR 107 Cb 1.42 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2ddb h TYR 107 CO 0.15 0.01 -0.12 1.79 -1.64 0.00 0.00 178.16 178.35 2ddb h THR 108 N 0.10 1.21 -0.42 1.81 1.35 -1.40 -2.00 112.91 113.56 2ddb h THR 108 Ca 0.09 -0.92 -0.06 0.00 -0.55 0.00 0.00 66.41 64.97 2ddb h THR 108 Cb 0.09 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2ddb h THR 108 CO -0.13 0.30 0.04 -0.61 -0.25 0.00 0.00 175.52 174.87 2ddb h GLN 109 N 0.36 0.72 -0.75 4.72 5.75 -1.37 0.21 115.11 124.75 2ddb h GLN 109 Ca 0.07 -0.21 0.10 0.00 -0.15 0.00 0.00 58.65 58.46 2ddb h GLN 109 Cb 0.44 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 2ddb h GLN 109 CO 0.03 0.77 0.39 0.28 -2.65 0.00 0.00 178.83 177.65 2ddb h VAL 110 N 0.57 0.85 -0.68 2.39 2.07 -0.71 -2.74 116.25 118.01 2ddb h VAL 110 Ca 0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2ddb h VAL 110 Cb 0.42 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2ddb h VAL 110 CO 0.01 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.05 2ddb n VAL 111 N -4.84 1.77 -1.83 2.57 0.24 -0.81 -4.86 118.33 110.57 2ddb n VAL 111 Ca 0.12 -1.18 -0.42 0.00 -2.04 0.00 0.00 64.34 60.82 2ddb n VAL 111 Cb 0.29 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.80 2ddb n VAL 111 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2ddb s TRP 112 N -1.77 1.59 0.32 6.34 -0.11 0.05 -4.50 118.94 120.87 2ddb s TRP 112 Ca 0.52 -0.11 0.07 0.00 1.22 0.00 0.00 56.10 57.81 2ddb s TRP 112 Cb 0.33 -4.09 0.78 0.00 -1.50 0.00 0.00 33.47 28.99 2ddb s TRP 112 CO 0.26 -4.69 1.79 0.10 -4.62 0.00 0.00 176.95 169.80 2ddb h TYR 113 N 10.38 1.00 0.00 5.86 -0.00 -1.43 -2.75 116.97 130.02 2ddb h TYR 113 Ca -0.44 0.03 -0.06 0.00 -0.00 0.00 0.00 58.73 58.26 2ddb h TYR 113 Cb 1.21 -0.30 -0.01 0.00 -0.00 0.00 0.00 36.73 37.63 2ddb h TYR 113 CO 0.93 0.24 -1.25 1.17 -0.00 0.00 0.00 178.16 179.25 2ddb n LYS 114 N -4.71 0.62 -2.06 0.10 3.00 -1.26 -1.98 118.16 111.87 2ddb n LYS 114 Ca 0.22 0.12 -0.32 0.00 -0.00 0.00 0.00 58.31 58.34 2ddb n LYS 114 Cb 0.58 -1.79 -0.04 0.00 0.00 0.00 0.00 35.03 33.78 2ddb n LYS 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2ddb s SER 115 N -5.41 5.22 0.00 3.14 0.01 -1.04 -4.23 113.70 111.39 2ddb s SER 115 Ca -0.02 -0.29 0.15 0.00 1.31 0.00 0.00 55.95 57.10 2ddb s SER 115 Cb 0.10 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2ddb s SER 115 CO 0.81 -2.58 0.84 0.00 0.41 0.00 0.00 173.24 172.72 2ddb n HIS 116 N 13.40 0.00 -5.06 2.43 1.44 -1.00 -4.75 115.22 121.68 2ddb n HIS 116 Ca 0.32 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.72 2ddb n HIS 116 Cb 0.49 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.43 2ddb n HIS 116 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2ddb s LEU 117 N -1.86 2.01 -0.01 2.39 1.43 -0.51 -0.76 118.68 121.37 2ddb s LEU 117 Ca 0.13 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2ddb s LEU 117 Cb 0.12 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2ddb s LEU 117 CO 0.35 0.13 -0.12 -0.51 0.23 0.00 0.00 176.35 176.43 2ddb s ILE 118 N 0.44 0.93 -0.02 -0.59 2.07 -0.33 -0.12 121.20 123.58 2ddb s ILE 118 Ca -0.17 -0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 58.54 2ddb s ILE 118 Cb -0.17 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.65 2ddb s ILE 118 CO 0.07 0.25 0.03 -0.83 -1.91 0.00 0.00 174.94 172.56 2ddb s GLY 119 N -0.31 0.02 0.10 1.50 0.00 -0.51 -0.56 107.32 107.55 2ddb s GLY 119 Ca 0.04 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.96 2ddb s GLY 119 CO -0.00 0.33 -0.05 0.00 0.00 0.00 0.00 173.10 173.37 2ddb s ALA 121 N -3.69 -0.77 0.17 0.00 0.00 -0.24 -4.76 121.76 112.46 2ddb s ALA 121 Ca 0.12 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2ddb s ALA 121 Cb 0.06 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2ddb s ALA 121 CO -0.05 -0.47 -0.19 -1.54 0.00 0.00 0.00 175.76 173.51 2ddb s SER 122 N -2.26 2.74 -0.05 0.00 1.04 -1.26 -1.19 113.70 112.72 2ddb s SER 122 Ca -0.03 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.56 2ddb s SER 122 Cb 0.00 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2ddb s SER 122 CO -0.05 -0.02 -0.05 0.00 0.98 0.00 0.00 173.24 174.10 2ddb s ALA 123 N -2.00 0.71 -0.61 5.32 0.00 0.65 -4.91 121.76 120.92 2ddb s ALA 123 Ca 0.16 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 2ddb s ALA 123 Cb -0.06 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.69 2ddb s ALA 123 CO 0.07 -0.01 0.92 0.21 0.00 0.00 0.00 175.76 176.95 2ddb s LYS 124 N 0.91 3.17 0.07 0.00 2.20 -1.26 -0.98 119.74 123.84 2ddb s LYS 124 Ca -0.11 -0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 54.68 2ddb s LYS 124 Cb -0.14 -4.17 -0.26 0.00 -1.51 0.00 0.00 37.83 31.75 2ddb s LYS 124 CO 0.00 -1.66 1.14 0.00 -0.36 0.00 0.00 175.35 174.48 2ddb n SER 126 N -3.80 -1.12 0.03 0.00 3.41 -1.06 -4.96 113.62 106.13 2ddb n SER 126 Ca -0.12 -1.86 0.06 0.00 -0.26 0.00 0.00 58.87 56.69 2ddb n SER 126 Cb 0.95 1.88 0.28 0.00 -0.26 0.00 0.00 64.21 67.06 2ddb n SER 126 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ddb n SER 127 N -1.38 0.15 -0.31 4.04 3.41 -1.26 -2.78 113.62 115.50 2ddb n SER 127 Ca -0.04 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 2ddb n SER 127 Cb 0.31 -0.58 0.14 0.00 -0.26 0.00 0.00 64.21 63.82 2ddb n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ddb n SER 128 N -1.68 1.88 -3.18 4.04 3.41 -1.26 -4.73 113.62 112.10 2ddb n SER 128 Ca 0.02 -3.12 0.02 0.00 -0.26 0.00 0.00 58.87 55.53 2ddb n SER 128 Cb 0.12 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 2ddb n SER 128 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ddb s LYS 129 N -2.52 0.53 -0.15 4.33 2.20 -1.12 -4.33 119.74 118.68 2ddb s LYS 129 Ca 0.30 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.70 2ddb s LYS 129 Cb 0.28 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.90 2ddb s LYS 129 CO -0.01 -0.76 -0.19 0.71 -0.36 0.00 0.00 175.35 174.74 2ddb s TYR 130 N 2.80 2.73 -0.12 4.03 1.51 -0.14 -0.82 117.35 127.34 2ddb s TYR 130 Ca 0.16 -1.28 -0.01 0.00 -1.01 0.00 0.00 57.07 54.94 2ddb s TYR 130 Cb -0.14 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 2ddb s TYR 130 CO -0.22 -0.59 -0.08 -1.17 -1.11 0.00 0.00 175.55 172.37 2ddb s LEU 131 N 0.90 3.03 -0.08 -1.29 0.20 -0.15 -2.09 118.68 119.19 2ddb s LEU 131 Ca -0.05 -0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.63 2ddb s LEU 131 Cb -0.15 -1.69 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 2ddb s LEU 131 CO -0.03 0.23 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.79 2ddb s TYR 132 N 0.00 1.81 -0.08 5.38 1.51 0.46 -0.25 117.35 126.18 2ddb s TYR 132 Ca -0.01 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 2ddb s TYR 132 Cb -0.14 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2ddb s TYR 132 CO 0.03 -0.34 -0.06 0.08 -1.11 0.00 0.00 175.55 174.15 2ddb s VAL 133 N 0.63 0.80 -0.07 0.71 1.01 -0.34 -0.89 120.40 122.26 2ddb s VAL 133 Ca -0.14 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2ddb s VAL 133 Cb -0.16 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2ddb s VAL 133 CO 0.04 0.31 -0.19 0.00 0.00 0.00 0.00 175.10 175.26 2ddb s GLN 135 N -0.30 2.17 -0.09 0.00 -0.21 0.91 -0.91 119.66 121.23 2ddb s GLN 135 Ca 0.01 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.51 2ddb s GLN 135 Cb -0.13 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.75 2ddb s GLN 135 CO 0.03 0.57 -0.14 0.71 -2.12 0.00 0.00 175.29 174.33 2ddb s TYR 136 N -0.72 1.76 -0.03 0.91 1.51 -0.43 -1.43 117.35 118.92 2ddb s TYR 136 Ca 0.11 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 2ddb s TYR 136 Cb -0.10 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2ddb s TYR 136 CO 0.01 -0.40 -0.08 0.00 -1.11 0.00 0.00 175.55 173.98 2ddb s PRO 138 N 0.48 1.46 0.47 0.00 0.04 -1.26 -1.42 135.00 134.76 2ddb s PRO 138 Ca -0.07 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.36 2ddb s PRO 138 Cb -0.11 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 2ddb s PRO 138 CO 0.01 -2.32 1.39 0.00 0.04 0.00 0.00 177.00 176.11 2ddb n ALA 139 N -3.65 1.82 -2.56 8.56 0.00 -0.47 -4.05 120.51 120.15 2ddb n ALA 139 Ca 0.13 0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.60 2ddb n ALA 139 Cb 0.51 -2.36 0.10 0.00 0.00 0.00 0.00 19.45 17.70 2ddb n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ddb n GLY 140 N 0.66 0.68 2.65 0.00 0.00 -1.26 -4.42 105.19 103.49 2ddb n GLY 140 Ca 0.06 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 2ddb n GLY 140 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ddb n ASN 141 N -2.92 -5.34 -4.04 1.61 3.02 -1.26 -4.91 115.26 101.42 2ddb n ASN 141 Ca 0.14 0.30 -0.09 0.00 -0.03 0.00 0.00 54.58 54.90 2ddb n ASN 141 Cb 0.49 -3.91 -0.11 0.00 -0.61 0.00 0.00 39.78 35.65 2ddb n ASN 141 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2ddb s ILE 142 N -2.16 0.27 -1.26 2.41 1.10 -1.26 -4.79 121.20 115.51 2ddb s ILE 142 Ca 0.00 -1.31 -0.14 0.00 -0.51 0.00 0.00 60.65 58.70 2ddb s ILE 142 Cb 0.00 -0.83 0.00 0.00 0.15 0.00 0.00 42.46 41.78 2ddb s ILE 142 CO 0.00 -0.67 0.63 0.54 -2.11 0.00 0.00 174.94 173.33 2ddb n ARG 143 N 0.97 -2.00 0.00 3.50 5.12 -1.26 -4.81 116.66 118.18 2ddb n ARG 143 Ca -0.20 0.40 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 2ddb n ARG 143 Cb 0.57 -4.14 0.00 0.00 -1.16 0.00 0.00 32.46 27.74 2ddb n ARG 143 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ddb n GLY 144 N -1.85 2.93 3.86 -0.13 0.00 -1.26 -5.13 105.19 103.61 2ddb n GLY 144 Ca -0.19 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 2ddb n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddb s SER 145 N 0.00 6.62 0.53 1.61 0.01 -1.26 -4.91 113.70 116.29 2ddb s SER 145 Ca 0.00 0.74 0.30 0.00 1.31 0.00 0.00 55.95 58.30 2ddb s SER 145 Cb 0.00 -2.16 1.40 0.00 0.21 0.00 0.00 66.02 65.47 2ddb s SER 145 CO 0.00 0.32 2.02 -0.29 0.41 0.00 0.00 173.24 175.70 2ddb h ILE 146 N 3.58 0.35 0.00 1.44 2.10 -1.96 -2.29 117.51 120.72 2ddb h ILE 146 Ca -0.52 -0.62 -0.02 0.00 1.08 0.00 0.00 64.86 64.78 2ddb h ILE 146 Cb 1.22 1.46 -0.00 0.00 -1.09 0.00 0.00 36.82 38.40 2ddb h ILE 146 CO 0.62 0.10 -0.10 0.00 -1.08 0.00 0.00 178.15 177.69 2ddb h ALA 147 N 1.90 0.99 -2.14 0.18 0.00 -1.93 -3.35 119.26 114.92 2ddb h ALA 147 Ca -0.00 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 2ddb h ALA 147 Cb 0.45 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.83 2ddb h ALA 147 CO 0.01 0.12 -0.92 0.25 0.00 0.00 0.00 179.25 178.71 2ddb n THR 148 N -3.19 0.27 0.26 0.00 -2.24 -0.86 -0.46 114.28 108.06 2ddb n THR 148 Ca 0.01 -4.36 0.06 0.00 -2.27 0.00 0.00 64.05 57.50 2ddb n THR 148 Cb 0.41 -1.98 0.28 0.00 -2.10 0.00 0.00 70.33 66.94 2ddb n THR 148 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ddb n PRO 149 N 1.39 0.05 -4.06 -0.78 -0.04 -1.22 -4.53 135.00 125.82 2ddb n PRO 149 Ca 0.24 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 64.03 2ddb n PRO 149 Cb 0.48 -1.63 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 2ddb n PRO 149 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ddb s TYR 150 N -3.14 0.66 -0.15 0.54 -0.85 -1.26 -1.11 117.35 112.04 2ddb s TYR 150 Ca 0.03 -0.98 -0.17 0.00 -0.52 0.00 0.00 57.07 55.43 2ddb s TYR 150 Cb 0.06 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 2ddb s TYR 150 CO 0.19 -0.74 0.43 0.21 -1.52 0.00 0.00 175.55 174.12 2ddb s LYS 151 N -4.04 4.29 0.24 -3.49 2.20 -1.26 -5.02 119.74 112.65 2ddb s LYS 151 Ca 0.25 0.33 -0.21 0.00 -0.36 0.00 0.00 55.97 55.99 2ddb s LYS 151 Cb 0.04 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.81 2ddb s LYS 151 CO 0.06 0.12 0.76 -1.54 -0.36 0.00 0.00 175.35 174.39 2ddb s SER 152 N 0.70 7.12 0.00 1.43 1.04 -1.26 -0.39 113.70 122.34 2ddb s SER 152 Ca 0.23 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.16 2ddb s SER 152 Cb -0.15 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2ddb s SER 152 CO 0.08 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2ddb n GLY 153 N 0.73 -1.05 3.64 7.32 0.00 -0.49 -4.66 105.19 110.68 2ddb n GLY 153 Ca -0.02 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.59 2ddb n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ddb n PRO 154 N 0.00 1.71 -1.73 1.61 -0.02 -1.26 -4.15 135.00 131.15 2ddb n PRO 154 Ca 0.00 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 2ddb n PRO 154 Cb 0.00 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 2ddb n PRO 154 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ddb n PRO 155 N 0.86 2.76 -1.67 0.52 -0.04 -1.26 -1.95 135.00 134.23 2ddb n PRO 155 Ca 0.08 0.99 -0.20 0.00 -0.04 0.00 0.00 63.50 64.33 2ddb n PRO 155 Cb 0.33 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 30.89 2ddb n PRO 155 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddb h ALA 157 N 0.10 1.10 -0.61 0.00 0.00 -1.10 0.15 119.26 118.89 2ddb h ALA 157 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ddb h ALA 157 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ddb h ALA 157 CO 0.60 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 2ddb n ASP 158 N -3.23 3.38 -2.72 0.00 8.00 -0.53 -4.35 116.55 117.10 2ddb n ASP 158 Ca -0.03 -2.04 -0.09 0.00 0.71 0.00 0.00 54.79 53.35 2ddb n ASP 158 Cb 0.10 -0.42 0.07 0.00 -0.02 0.00 0.00 41.12 40.84 2ddb n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ddb h PRO 160 N 2.57 0.00 -0.19 0.00 0.13 -1.71 0.54 132.00 133.35 2ddb h PRO 160 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2ddb h PRO 160 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ddb h PRO 160 CO 0.23 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.43 2ddb n SER 161 N -3.38 2.46 -1.32 1.44 7.64 -1.26 -4.57 113.62 114.63 2ddb n SER 161 Ca -0.03 -1.94 0.04 0.00 1.01 0.00 0.00 58.87 57.96 2ddb n SER 161 Cb 0.11 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 2ddb n SER 161 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ddb n ALA 162 N 0.12 2.49 -2.69 -0.43 0.00 0.15 -5.08 120.51 115.08 2ddb n ALA 162 Ca 0.07 -2.39 -0.39 0.00 0.00 0.00 0.00 53.44 50.73 2ddb n ALA 162 Cb 0.34 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 2ddb n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddb s VAL 164 N 1.23 0.64 -1.37 0.00 0.11 0.28 -4.85 120.40 116.45 2ddb s VAL 164 Ca 0.29 -0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.20 2ddb s VAL 164 Cb -0.16 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2ddb s VAL 164 CO 0.12 0.28 0.45 0.59 -3.33 0.00 0.00 175.10 173.21 2ddb n ASN 165 N 4.64 -1.03 -0.50 3.54 3.02 -1.26 -1.55 115.26 122.13 2ddb n ASN 165 Ca -0.15 -1.03 -0.07 0.00 -0.03 0.00 0.00 54.58 53.30 2ddb n ASN 165 Cb 0.50 -2.97 -0.03 0.00 -0.61 0.00 0.00 39.78 36.67 2ddb n ASN 165 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ddb n ARG 166 N -4.41 -1.32 -4.78 3.52 1.74 -1.26 -4.87 116.66 105.28 2ddb n ARG 166 Ca -0.28 0.66 -0.28 0.00 -0.77 0.00 0.00 57.85 57.18 2ddb n ARG 166 Cb 0.67 -4.80 -0.14 0.00 -1.02 0.00 0.00 32.46 27.17 2ddb n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ddb s LEU 167 N -1.50 2.17 0.51 0.55 1.43 -0.59 -4.76 118.68 116.48 2ddb s LEU 167 Ca 0.00 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.35 2ddb s LEU 167 Cb 0.00 -1.15 -0.08 0.00 0.03 0.00 0.00 46.19 45.00 2ddb s LEU 167 CO 0.00 0.21 1.01 0.00 0.23 0.00 0.00 176.35 177.80 2ddb n THR 169 N -1.34 0.94 -2.79 0.00 -2.24 -0.85 -0.47 114.28 107.53 2ddb n THR 169 Ca 0.08 -1.44 -0.28 0.00 -2.27 0.00 0.00 64.05 60.14 2ddb n THR 169 Cb 0.53 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 2ddb n THR 169 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ddb n ASN 170 N -0.52 4.79 -4.76 3.42 6.94 -1.26 -5.04 115.26 118.83 2ddb n ASN 170 Ca 0.09 -3.70 -0.39 0.00 -0.02 0.00 0.00 54.58 50.56 2ddb n ASN 170 Cb 0.77 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 37.61 2ddb n ASN 170 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2ddb s PRO 171 N -3.56 3.76 -0.04 -0.53 0.04 -1.26 -0.80 135.00 132.61 2ddb s PRO 171 Ca 0.48 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 2ddb s PRO 171 Cb 0.31 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2ddb s PRO 171 CO -0.16 -0.66 1.06 0.00 0.04 0.00 0.00 177.00 177.28 2ddb n ASN 173 N 4.59 2.50 -4.84 0.00 3.02 -1.26 -4.86 115.26 114.41 2ddb n ASN 173 Ca 0.08 -1.79 -0.32 0.00 -0.03 0.00 0.00 54.58 52.52 2ddb n ASN 173 Cb 0.49 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 2ddb n ASN 173 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2ddb s TYR 174 N -2.09 3.36 -0.13 3.10 2.02 -1.26 -5.08 117.35 117.26 2ddb s TYR 174 Ca 0.28 1.46 0.02 0.00 -0.37 0.00 0.00 57.07 58.46 2ddb s TYR 174 Cb 0.20 -2.83 0.01 0.00 -0.40 0.00 0.00 41.96 38.94 2ddb s TYR 174 CO 0.36 -0.58 -0.18 1.21 -1.57 0.00 0.00 175.55 174.79 2ddb s ASN 175 N -3.14 2.79 0.30 2.29 2.47 -1.26 -4.69 114.94 113.71 2ddb s ASN 175 Ca 0.59 -0.52 -0.28 0.00 0.42 0.00 0.00 52.86 53.07 2ddb s ASN 175 Cb -0.11 -1.27 -0.09 0.00 -1.45 0.00 0.00 41.25 38.32 2ddb s ASN 175 CO 0.35 0.03 1.07 0.20 -3.72 0.00 0.00 177.10 175.03 2ddb s ASN 176 N 1.01 7.20 0.13 -4.21 0.01 -1.26 -4.46 114.94 113.36 2ddb s ASN 176 Ca -0.04 2.18 0.14 0.00 -0.71 0.00 0.00 52.86 54.43 2ddb s ASN 176 Cb -0.15 -2.62 -0.10 0.00 0.41 0.00 0.00 41.25 38.80 2ddb s ASN 176 CO -0.04 -0.18 1.09 0.44 -1.51 0.00 0.00 177.10 176.90 2ddb h ASP 177 N 3.56 0.00 -4.23 -1.22 3.32 -1.03 -3.47 116.42 113.34 2ddb h ASP 177 Ca -0.47 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 2ddb h ASP 177 Cb 1.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.52 2ddb h ASP 177 CO 0.66 0.68 -0.84 -0.36 -1.72 0.00 0.00 179.24 177.66 2ddb s PHE 178 N -2.86 1.89 0.41 4.55 0.08 -1.26 -5.05 117.98 115.75 2ddb s PHE 178 Ca -0.00 -0.39 0.24 0.00 0.12 0.00 0.00 56.93 56.90 2ddb s PHE 178 Cb 0.08 -1.10 1.31 0.00 -0.57 0.00 0.00 43.02 42.75 2ddb s PHE 178 CO 0.79 0.14 2.03 0.77 -0.10 0.00 0.00 175.22 178.86 2ddb h SER 179 N 4.59 0.00 -0.88 1.36 0.02 -1.99 -2.84 113.55 113.81 2ddb h SER 179 Ca -0.44 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.10 2ddb h SER 179 Cb 1.16 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.46 2ddb h SER 179 CO 0.42 0.15 0.52 -0.46 -1.14 0.00 0.00 176.83 176.32 2ddb n ASN 180 N -3.77 4.02 0.01 3.07 6.94 -1.26 -4.61 115.26 119.66 2ddb n ASN 180 Ca -0.02 -3.42 -0.01 0.00 -0.02 0.00 0.00 54.58 51.11 2ddb n ASN 180 Cb 0.26 -0.80 0.26 0.00 -2.36 0.00 0.00 39.78 37.14 2ddb n ASN 180 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ddb h LYS 182 N 0.46 0.65 -0.52 0.00 3.64 -1.87 -0.48 116.57 118.46 2ddb h LYS 182 Ca 0.09 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2ddb h LYS 182 Cb 0.46 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2ddb h LYS 182 CO 0.03 0.44 -0.02 1.03 -2.27 0.00 0.00 179.45 178.66 2ddb h SER 183 N 0.66 0.91 -0.07 4.20 0.87 -1.85 -2.07 113.55 116.19 2ddb h SER 183 Ca 0.18 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2ddb h SER 183 Cb -0.06 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 2ddb h SER 183 CO -0.04 1.01 -0.06 -0.07 -0.53 0.00 0.00 176.83 177.14 2ddb h LEU 184 N 0.79 -0.19 -0.63 2.23 3.38 -1.02 -2.24 115.31 117.63 2ddb h LEU 184 Ca 0.14 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2ddb h LEU 184 Cb 0.55 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2ddb h LEU 184 CO 0.03 -0.09 0.41 0.00 0.09 0.00 0.00 178.44 178.89 2ddb h ALA 185 N 0.98 0.80 -0.07 1.53 0.00 -1.08 -1.74 119.26 119.68 2ddb h ALA 185 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ddb h ALA 185 Cb 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ddb h ALA 185 CO -0.12 0.21 0.04 0.87 0.00 0.00 0.00 179.25 180.25 2ddb h LYS 186 N 0.84 0.09 0.03 0.00 1.57 -1.16 -0.02 116.57 117.93 2ddb h LYS 186 Ca 0.23 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.78 2ddb h LYS 186 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2ddb h LYS 186 CO -0.06 0.15 -1.00 1.57 -0.57 0.00 0.00 179.45 179.54 2ddb h LYS 187 N 0.02 0.14 -0.00 3.15 2.10 -1.40 -3.19 116.57 117.39 2ddb h LYS 187 Ca 0.02 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2ddb h LYS 187 Cb 0.08 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2ddb h LYS 187 CO -0.00 1.02 -0.45 -1.13 -2.00 0.00 0.00 179.45 176.89 2ddb n SER 188 N -3.53 0.54 -2.28 7.07 3.41 -0.66 -4.92 113.62 113.26 2ddb n SER 188 Ca -0.03 -0.29 -0.08 0.00 -0.26 0.00 0.00 58.87 58.20 2ddb n SER 188 Cb 0.90 0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.04 2ddb n SER 188 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ddb n LYS 189 N -1.40 -2.28 -2.53 4.33 5.02 -0.04 -0.98 118.16 120.28 2ddb n LYS 189 Ca 0.06 0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 56.61 2ddb n LYS 189 Cb 0.34 -4.93 -0.00 0.00 -0.02 0.00 0.00 35.03 30.41 2ddb n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ddb n GLN 191 N -3.03 0.15 -3.21 0.00 6.02 -0.15 -4.66 117.38 112.49 2ddb n GLN 191 Ca -0.17 0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.48 2ddb n GLN 191 Cb 0.64 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 30.24 2ddb n GLN 191 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2ddb s THR 192 N -3.08 5.02 0.11 5.09 2.01 -1.26 -5.02 115.64 118.51 2ddb s THR 192 Ca 0.09 1.19 -0.23 0.00 0.31 0.00 0.00 61.69 63.05 2ddb s THR 192 Cb 0.15 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 2ddb s THR 192 CO 0.68 0.36 1.70 -0.08 -0.69 0.00 0.00 174.62 176.60 2ddb h GLU 193 N 6.17 -0.13 -0.35 4.92 4.57 -2.00 -2.58 114.58 125.18 2ddb h GLU 193 Ca -0.43 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 2ddb h GLU 193 Cb 1.19 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2ddb h GLU 193 CO 0.72 -0.08 0.10 0.11 -1.18 0.00 0.00 179.01 178.68 2ddb h TRP 194 N -0.13 0.50 -0.21 0.92 5.08 -1.98 -2.39 115.95 117.73 2ddb h TRP 194 Ca 0.03 -0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.96 2ddb h TRP 194 Cb 0.18 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.17 2ddb h TRP 194 CO -0.15 0.42 0.05 0.82 -1.28 0.00 0.00 178.44 178.30 2ddb h ILE 195 N 0.49 1.21 -0.83 0.12 2.04 -1.91 0.13 117.51 118.78 2ddb h ILE 195 Ca 0.12 -0.69 0.13 0.00 1.00 0.00 0.00 64.86 65.42 2ddb h ILE 195 Cb 0.17 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 2ddb h ILE 195 CO -0.01 0.22 0.54 0.11 0.00 0.00 0.00 178.15 179.01 2ddb h LYS 196 N 0.16 0.61 0.13 2.37 1.57 -1.18 0.30 116.57 120.52 2ddb h LYS 196 Ca 0.07 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 2ddb h LYS 196 Cb 0.29 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.48 2ddb h LYS 196 CO 0.00 0.40 -1.09 -0.22 -0.57 0.00 0.00 179.45 177.98 2ddb h LYS 197 N 0.63 0.51 0.00 3.15 3.64 -0.94 -3.29 116.57 120.27 2ddb h LYS 197 Ca 0.40 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2ddb h LYS 197 Cb 0.67 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2ddb h LYS 197 CO -0.16 1.32 -1.16 1.63 -2.27 0.00 0.00 179.45 178.81 2ddb n LYS 198 N -3.92 0.72 -2.51 1.90 5.02 0.43 -4.36 118.16 115.42 2ddb n LYS 198 Ca -0.14 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.85 2ddb n LYS 198 Cb 0.92 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 2ddb n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ddb h PRO 200 N 2.63 0.00 -0.11 0.00 0.13 -1.73 -2.15 132.00 130.77 2ddb h PRO 200 Ca 0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.38 2ddb h PRO 200 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2ddb h PRO 200 CO 0.82 0.26 -0.01 0.00 -0.23 0.00 0.00 178.00 178.85 2ddb h ALA 201 N 1.74 0.15 -0.09 -0.56 0.00 -1.84 -0.36 119.26 118.31 2ddb h ALA 201 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2ddb h ALA 201 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ddb h ALA 201 CO 0.03 -0.15 -0.23 0.77 0.00 0.00 0.00 179.25 179.67 2ddb h SER 202 N -0.08 0.14 0.96 0.00 0.02 -1.84 -1.68 113.55 111.06 2ddb h SER 202 Ca 0.03 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 2ddb h SER 202 Cb 0.38 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2ddb h SER 202 CO 0.01 0.38 -1.11 0.00 -1.14 0.00 0.00 176.83 174.97 2ddb n PHE 204 N -3.17 0.00 -2.36 0.00 3.72 -0.16 -4.84 117.46 110.65 2ddb n PHE 204 Ca -0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 2ddb n PHE 204 Cb 0.90 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 2ddb n PHE 204 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ddb h HIS 206 N 5.95 0.00 0.00 0.00 3.86 -1.88 -3.25 115.15 119.83 2ddb h HIS 206 Ca 0.40 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.59 2ddb h HIS 206 Cb 0.66 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 2ddb h HIS 206 CO 1.26 0.52 -0.40 0.09 0.86 0.00 0.00 177.93 180.25 2ddb n ASN 207 N -3.92 1.64 -4.78 2.45 4.13 -1.26 -5.05 115.26 108.46 2ddb n ASN 207 Ca -0.01 -3.16 -0.22 0.00 1.68 0.00 0.00 54.58 52.87 2ddb n ASN 207 Cb 0.53 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 38.29 2ddb n ASN 207 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ddb s LYS 208 N -2.31 2.57 -0.32 3.52 -0.14 -1.23 -4.94 119.74 116.88 2ddb s LYS 208 Ca 0.31 -1.38 -0.26 0.00 -1.36 0.00 0.00 55.97 53.28 2ddb s LYS 208 Cb 0.30 -2.34 0.01 0.00 -1.68 0.00 0.00 37.83 34.12 2ddb s LYS 208 CO -0.04 0.17 0.93 0.42 -0.76 0.00 0.00 175.35 176.06 2ddb s ILE 209 N -2.33 4.65 -1.83 2.17 -1.09 0.02 -4.79 121.20 117.99 2ddb s ILE 209 Ca 0.38 1.41 0.15 0.00 -2.23 0.00 0.00 60.65 60.36 2ddb s ILE 209 Cb -0.05 -4.29 0.12 0.00 -1.58 0.00 0.00 42.46 36.66 2ddb s ILE 209 CO 0.24 -0.39 0.96 -0.38 -1.23 0.00 0.00 174.94 174.15