#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddb h TYR 5 N 0.00 0.80 -0.08 1.20 -0.00 -2.04 -1.24 116.97 115.61 2ddb h TYR 5 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.75 2ddb h TYR 5 Cb 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 36.73 36.46 2ddb h TYR 5 CO 0.00 0.50 0.04 1.96 -0.00 0.00 0.00 178.16 180.65 2ddb h GLN 6 N 0.86 0.11 -0.17 0.10 4.20 -1.99 -0.21 115.11 118.01 2ddb h GLN 6 Ca 0.25 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.97 2ddb h GLN 6 Cb -0.06 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2ddb h GLN 6 CO -0.06 0.21 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.05 2ddb h LYS 7 N -0.00 0.01 -0.51 1.46 3.64 -1.91 -1.76 116.57 117.49 2ddb h LYS 7 Ca 0.03 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2ddb h LYS 7 Cb 0.13 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2ddb h LYS 7 CO -0.00 0.01 0.09 1.49 -2.27 0.00 0.00 179.45 178.76 2ddb h GLU 8 N 0.01 0.21 -0.09 1.90 4.81 -1.02 0.91 114.58 121.31 2ddb h GLU 8 Ca 0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2ddb h GLU 8 Cb 0.12 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2ddb h GLU 8 CO -0.17 0.14 0.02 0.82 -0.73 0.00 0.00 179.01 179.09 2ddb h ILE 9 N 0.22 1.21 -0.31 2.32 2.04 -0.83 -0.37 117.51 121.79 2ddb h ILE 9 Ca 0.26 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2ddb h ILE 9 Cb 0.36 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2ddb h ILE 9 CO -0.35 0.19 -0.07 0.58 0.00 0.00 0.00 178.15 178.49 2ddb h VAL 10 N -0.08 1.28 -0.62 1.67 2.07 -1.16 -2.06 116.25 117.35 2ddb h VAL 10 Ca 0.03 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 2ddb h VAL 10 Cb 0.28 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2ddb h VAL 10 CO 0.00 0.36 0.14 0.44 0.02 0.00 0.00 177.57 178.53 2ddb h ASP 11 N 0.36 0.91 0.08 0.57 3.32 -0.77 -0.45 116.42 120.44 2ddb h ASP 11 Ca 0.08 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2ddb h ASP 11 Cb 0.56 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2ddb h ASP 11 CO 0.03 0.89 -0.04 0.50 -1.72 0.00 0.00 179.24 178.90 2ddb h LYS 12 N 0.93 -0.10 -0.58 3.56 1.63 -0.97 -1.07 116.57 119.96 2ddb h LYS 12 Ca 0.20 0.01 0.12 0.00 -0.85 0.00 0.00 60.65 60.12 2ddb h LYS 12 Cb 0.34 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.89 2ddb h LYS 12 CO 0.00 0.22 -0.09 0.45 -3.45 0.00 0.00 179.45 176.59 2ddb h HIS 13 N -0.44 -0.20 -0.23 1.91 3.86 -1.28 -1.73 115.15 117.03 2ddb h HIS 13 Ca -0.01 0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2ddb h HIS 13 Cb 0.37 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2ddb h HIS 13 CO 0.03 -0.21 -0.24 -0.91 0.86 0.00 0.00 177.93 177.46 2ddb h ASN 14 N 0.04 0.44 -0.50 2.45 2.35 -0.99 -0.19 115.58 119.17 2ddb h ASN 14 Ca 0.29 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2ddb h ASN 14 Cb 0.45 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2ddb h ASN 14 CO -0.55 0.68 0.04 0.00 -1.65 0.00 0.00 177.43 175.95 2ddb h ALA 15 N 1.36 0.67 -0.33 -0.83 0.00 -0.79 -1.38 119.26 117.97 2ddb h ALA 15 Ca 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2ddb h ALA 15 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ddb h ALA 15 CO 0.05 0.44 0.04 -0.07 0.00 0.00 0.00 179.25 179.71 2ddb h LEU 16 N 0.73 0.53 -0.78 0.00 3.38 -1.10 -3.09 115.31 114.98 2ddb h LEU 16 Ca 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2ddb h LEU 16 Cb 0.45 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2ddb h LEU 16 CO 0.02 0.67 0.45 0.03 0.09 0.00 0.00 178.44 179.70 2ddb h ARG 17 N 0.37 1.07 -0.00 1.13 3.08 -0.86 -2.39 114.38 116.78 2ddb h ARG 17 Ca 0.10 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ddb h ARG 17 Cb 0.37 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2ddb h ARG 17 CO 0.01 0.77 -0.01 2.89 -1.07 0.00 0.00 179.97 182.56 2ddb n ARG 18 N -4.46 0.47 -0.08 0.04 1.85 -0.53 -3.76 116.66 110.19 2ddb n ARG 18 Ca 0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.95 2ddb n ARG 18 Cb 0.07 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.25 2.28 -4.74 2.89 7.64 -0.91 -4.98 113.62 114.54 2ddb n SER 19 Ca 0.15 -1.75 -0.37 0.00 1.01 0.00 0.00 58.87 57.91 2ddb n SER 19 Cb 0.24 -0.10 0.05 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.87 2.32 -0.06 0.44 -7.23 -1.15 -5.02 120.40 108.82 2ddb s VAL 20 Ca 0.14 0.20 -0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2ddb s VAL 20 Cb 0.08 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 33.96 2ddb s VAL 20 CO 0.11 -0.04 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.29 2ddb s LYS 21 N -3.30 0.77 0.80 4.82 -0.14 -1.26 -3.24 119.74 118.20 2ddb s LYS 21 Ca 0.79 -0.01 -0.13 0.00 -1.36 0.00 0.00 55.97 55.27 2ddb s LYS 21 Cb -0.35 -0.97 0.08 0.00 -1.68 0.00 0.00 37.83 34.92 2ddb s LYS 21 CO 0.37 -0.21 1.18 -1.25 -0.76 0.00 0.00 175.35 174.68 2ddb s PRO 22 N 1.53 1.72 0.68 -1.68 0.04 -1.26 -5.00 135.00 131.03 2ddb s PRO 22 Ca -0.01 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 2ddb s PRO 22 Cb -0.13 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2ddb s PRO 22 CO -0.03 -2.13 1.16 0.95 0.04 0.00 0.00 177.00 176.99 2ddb s THR 23 N -2.32 2.74 -0.14 1.26 -4.23 -1.20 -4.89 115.64 106.86 2ddb s THR 23 Ca 0.70 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 61.53 2ddb s THR 23 Cb -0.26 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 2ddb s THR 23 CO 0.51 -0.19 0.04 0.00 -0.54 0.00 0.00 174.62 174.44 2ddb s ALA 24 N -2.09 3.39 -0.62 3.99 0.00 -1.23 -1.05 121.76 124.16 2ddb s ALA 24 Ca 0.71 -0.76 0.23 0.00 0.00 0.00 0.00 51.96 52.15 2ddb s ALA 24 Cb -0.25 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.24 2ddb s ALA 24 CO 0.42 0.38 1.09 2.89 0.00 0.00 0.00 175.76 180.54 2ddb n ARG 25 N 2.84 0.29 -0.80 0.00 1.85 0.37 -3.56 116.66 117.66 2ddb n ARG 25 Ca -0.18 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.73 2ddb n ARG 25 Cb 0.53 -1.61 0.06 0.00 -1.05 0.00 0.00 32.46 30.39 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 -2.00 0.97 -4.62 2.89 6.94 -1.26 -1.89 115.26 116.31 2ddb n ASN 26 Ca 0.02 -2.46 -0.43 0.00 -0.02 0.00 0.00 54.58 51.69 2ddb n ASN 26 Cb 0.44 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.51 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 -0.95 3.73 0.39 -3.83 1.75 -1.26 -4.72 119.30 114.41 2ddb s MET 27 Ca 0.23 1.24 -0.25 0.00 -1.25 0.00 0.00 55.69 55.66 2ddb s MET 27 Cb 0.24 -3.98 -0.09 0.00 2.84 0.00 0.00 34.83 33.83 2ddb s MET 27 CO -0.07 -1.36 1.07 -0.51 -0.65 0.00 0.00 175.02 173.51 2ddb s LEU 28 N 5.08 4.20 0.17 4.11 1.43 -0.81 -0.00 118.68 132.85 2ddb s LEU 28 Ca 0.63 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 55.54 2ddb s LEU 28 Cb -0.18 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 41.86 2ddb s LEU 28 CO 0.28 -0.48 1.36 -1.58 0.23 0.00 0.00 176.35 176.16 2ddb s GLN 29 N -2.34 4.34 0.25 1.70 0.74 0.41 -4.73 119.66 120.03 2ddb s GLN 29 Ca 0.56 2.09 -0.14 0.00 0.05 0.00 0.00 55.36 57.92 2ddb s GLN 29 Cb -0.25 -3.21 -0.08 0.00 1.10 0.00 0.00 33.01 30.58 2ddb s GLN 29 CO 0.31 -0.36 0.65 -1.64 -0.55 0.00 0.00 175.29 173.71 2ddb s MET 30 N 0.41 3.99 0.07 1.67 -1.94 -1.26 -4.75 119.30 117.49 2ddb s MET 30 Ca 0.61 0.57 0.02 0.00 -1.71 0.00 0.00 55.69 55.18 2ddb s MET 30 Cb -0.37 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 2ddb s MET 30 CO 0.35 0.30 -0.07 -1.59 -0.01 0.00 0.00 175.02 174.00 2ddb s LYS 31 N -2.58 0.70 0.31 2.03 -2.85 -0.47 -4.98 119.74 111.90 2ddb s LYS 31 Ca 0.48 -1.08 -0.29 0.00 -1.00 0.00 0.00 55.97 54.07 2ddb s LYS 31 Cb -0.12 -0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.31 2ddb s LYS 31 CO 0.19 0.01 1.22 -0.46 0.10 0.00 0.00 175.35 176.42 2ddb s TRP 32 N -2.65 3.26 -0.12 1.78 -0.11 -1.26 -1.81 118.94 118.02 2ddb s TRP 32 Ca 0.02 1.53 0.00 0.00 1.22 0.00 0.00 56.10 58.87 2ddb s TRP 32 Cb -0.01 -3.52 0.02 0.00 -1.50 0.00 0.00 33.47 28.46 2ddb s TRP 32 CO -0.03 -1.34 -0.12 1.21 -4.62 0.00 0.00 176.95 172.06 2ddb s ASN 33 N -0.64 2.40 0.32 5.86 3.84 -0.25 -4.80 114.94 121.67 2ddb s ASN 33 Ca 0.47 -0.39 0.12 0.00 0.21 0.00 0.00 52.86 53.26 2ddb s ASN 33 Cb -0.37 -1.01 0.53 0.00 -0.55 0.00 0.00 41.25 39.85 2ddb s ASN 33 CO 0.48 -0.07 1.71 0.28 -2.79 0.00 0.00 177.10 176.72 2ddb h SER 34 N 7.96 0.00 0.08 -4.21 0.02 -1.96 -1.45 113.55 113.99 2ddb h SER 34 Ca -0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2ddb h SER 34 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2ddb h SER 34 CO 0.47 0.50 -0.04 -0.74 -1.14 0.00 0.00 176.83 175.89 2ddb h HIS 35 N 0.00 -0.10 -0.86 3.45 -0.00 -1.97 -1.19 115.15 114.49 2ddb h HIS 35 Ca -0.01 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2ddb h HIS 35 Cb 0.89 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.27 2ddb h HIS 35 CO 0.00 0.09 0.54 0.00 -0.00 0.00 0.00 177.93 178.56 2ddb h ALA 36 N 0.65 1.16 -0.10 5.26 0.00 -1.87 -2.29 119.26 122.07 2ddb h ALA 36 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2ddb h ALA 36 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ddb h ALA 36 CO 0.02 0.33 -0.34 0.00 0.00 0.00 0.00 179.25 179.26 2ddb h ALA 37 N 1.39 1.25 -0.17 0.00 0.00 -1.16 -0.65 119.26 119.92 2ddb h ALA 37 Ca 0.36 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2ddb h ALA 37 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ddb h ALA 37 CO -0.15 0.51 -0.04 0.37 0.00 0.00 0.00 179.25 179.95 2ddb h GLN 38 N 0.17 0.32 -0.61 0.00 4.15 -0.93 -1.27 115.11 116.94 2ddb h GLN 38 Ca 0.02 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.35 2ddb h GLN 38 Cb 0.68 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 2ddb h GLN 38 CO 0.05 0.59 0.37 -0.91 -1.93 0.00 0.00 178.83 177.00 2ddb h ASN 39 N 0.03 0.60 -0.69 -0.69 2.35 -1.14 -0.44 115.58 115.60 2ddb h ASN 39 Ca 0.04 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2ddb h ASN 39 Cb 0.47 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2ddb h ASN 39 CO 0.02 0.41 0.15 0.00 -1.65 0.00 0.00 177.43 176.35 2ddb h ALA 40 N 1.28 0.91 -0.44 -0.83 0.00 -1.08 -2.40 119.26 116.70 2ddb h ALA 40 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2ddb h ALA 40 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ddb h ALA 40 CO -0.11 0.65 0.10 -0.22 0.00 0.00 0.00 179.25 179.67 2ddb h LYS 41 N 1.05 0.71 -0.38 0.00 3.64 -0.94 0.17 116.57 120.82 2ddb h LYS 41 Ca 0.21 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2ddb h LYS 41 Cb 0.40 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2ddb h LYS 41 CO 0.01 0.72 0.21 0.00 -2.27 0.00 0.00 179.45 178.12 2ddb h ARG 42 N 0.58 0.51 0.00 1.90 3.08 -0.97 -1.43 114.38 118.06 2ddb h ARG 42 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2ddb h ARG 42 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2ddb h ARG 42 CO 0.00 0.38 -0.04 2.35 -1.07 0.00 0.00 179.97 181.60 2ddb h TRP 43 N 0.52 0.03 -0.90 3.04 2.91 -1.09 -3.34 115.95 117.13 2ddb h TRP 43 Ca 0.14 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.17 2ddb h TRP 43 Cb 0.02 -0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.61 2ddb h TRP 43 CO 0.00 0.84 0.59 0.00 -1.03 0.00 0.00 178.44 178.85 2ddb h ALA 44 N 0.18 1.43 0.00 2.65 0.00 -0.49 -1.99 119.26 121.04 2ddb h ALA 44 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ddb h ALA 44 Cb 0.85 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ddb h ALA 44 CO 0.01 0.49 0.00 -0.25 0.00 0.00 0.00 179.25 179.49 2ddb n ASP 45 N -4.44 0.44 -0.02 0.00 8.00 -0.55 -1.24 116.55 118.74 2ddb n ASP 45 Ca 0.12 0.63 0.15 0.00 0.71 0.00 0.00 54.79 56.39 2ddb n ASP 45 Cb 0.10 -0.71 0.75 0.00 -0.02 0.00 0.00 41.12 41.24 2ddb n ASP 45 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ddb n ARG 46 N -2.00 0.53 -3.17 -1.24 1.74 -0.75 -4.94 116.66 106.83 2ddb n ARG 46 Ca 0.02 -0.04 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 2ddb n ARG 46 Cb 0.17 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 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 -3.04 1.97 -0.90 0.00 2.01 -1.26 -5.06 115.64 109.34 2ddb s THR 48 Ca 0.34 -0.90 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 2ddb s THR 48 Cb -0.17 -1.76 0.06 0.00 0.01 0.00 0.00 72.50 70.64 2ddb s THR 48 CO 0.42 0.53 1.31 0.12 -0.69 0.00 0.00 174.62 176.31 2ddb s PHE 49 N 1.06 2.59 -0.06 4.92 5.36 -1.26 -4.88 117.98 125.71 2ddb s PHE 49 Ca -0.02 -0.73 -0.30 0.00 -0.96 0.00 0.00 56.93 54.92 2ddb s PHE 49 Cb -0.14 -4.57 0.11 0.00 -0.34 0.00 0.00 43.02 38.08 2ddb s PHE 49 CO -0.07 -1.87 0.98 0.00 -1.46 0.00 0.00 175.22 172.80 2ddb s ALA 50 N 4.67 -1.89 0.15 11.12 0.00 -1.26 -5.15 121.76 129.40 2ddb s ALA 50 Ca 0.39 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 2ddb s ALA 50 Cb -0.04 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.23 2ddb s ALA 50 CO -0.02 -0.64 1.14 -1.01 0.00 0.00 0.00 175.76 175.22 2ddb s HIS 51 N -2.84 3.53 0.49 0.00 3.76 -1.26 -5.03 115.29 113.93 2ddb s HIS 51 Ca 0.06 1.50 -0.22 0.00 -0.15 0.00 0.00 55.06 56.25 2ddb s HIS 51 Cb -0.01 -3.33 -0.07 0.00 1.11 0.00 0.00 32.58 30.28 2ddb s HIS 51 CO -0.07 -0.86 1.16 -1.54 -0.85 0.00 0.00 174.74 172.58 2ddb s SER 52 N 0.23 5.98 0.32 1.40 1.04 -1.26 -4.98 113.70 116.42 2ddb s SER 52 Ca 0.52 2.28 -0.29 0.00 0.48 0.00 0.00 55.95 58.94 2ddb s SER 52 Cb -0.30 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.10 2ddb s SER 52 CO 0.34 -1.05 1.40 -2.65 0.98 0.00 0.00 173.24 172.26 2ddb n PRO 53 N -0.79 2.29 -0.30 4.02 -0.02 -1.26 -4.88 135.00 134.06 2ddb n PRO 53 Ca 0.09 0.81 0.20 0.00 -2.02 0.00 0.00 63.50 62.57 2ddb n PRO 53 Cb 0.49 -2.47 0.48 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.38 0.45 0.00 0.52 0.11 -1.94 0.17 132.00 134.70 2ddb h PRO 54 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2ddb h PRO 54 Cb 1.26 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ddb h PRO 54 CO 0.69 0.30 -0.07 -2.95 -0.21 0.00 0.00 178.00 175.75 2ddb h ASN 55 N 0.47 0.00 0.82 -2.05 7.08 -1.98 -2.33 115.58 117.58 2ddb h ASN 55 Ca 0.55 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.77 2ddb h ASN 55 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 2ddb h ASN 55 CO -0.26 0.07 -0.14 0.35 -2.08 0.00 0.00 177.43 175.36 2ddb n THR 56 N -3.93 0.00 -3.27 6.14 -2.24 0.05 -4.31 114.28 106.71 2ddb n THR 56 Ca -0.03 -0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 2ddb n THR 56 Cb 0.16 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.46 1.61 -4.77 -0.78 1.85 -0.88 -4.87 116.66 107.36 2ddb n ARG 57 Ca 0.07 -3.91 -0.29 0.00 -1.00 0.00 0.00 57.85 52.71 2ddb n ARG 57 Cb 0.33 -1.72 -0.14 0.00 -1.05 0.00 0.00 32.46 29.88 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 -1.95 2.13 -0.27 8.89 -4.23 -1.26 -1.65 115.64 117.29 2ddb s THR 58 Ca 0.38 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 2ddb s THR 58 Cb 0.18 -1.84 0.07 0.00 1.34 0.00 0.00 72.50 72.25 2ddb s THR 58 CO -0.07 0.29 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.54 2ddb s VAL 59 N -0.87 2.12 0.00 2.29 1.01 -0.50 -4.90 120.40 119.55 2ddb s VAL 59 Ca 0.12 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.37 2ddb s VAL 59 Cb -0.10 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2ddb s VAL 59 CO 0.03 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2ddb n GLY 60 N 4.42 3.95 0.00 4.51 0.00 -1.26 -1.10 105.19 115.72 2ddb n GLY 60 Ca -0.10 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2ddb n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ddb n LYS 61 N 14.00 0.01 -2.67 1.61 4.01 -1.26 -4.90 118.16 128.96 2ddb n LYS 61 Ca 0.00 -0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.37 2ddb n LYS 61 Cb 0.00 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 32.99 2ddb n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ddb s LEU 62 N -2.99 4.29 -0.01 -0.35 1.43 -0.26 -5.02 118.68 115.77 2ddb s LEU 62 Ca 0.12 1.60 -0.27 0.00 -1.03 0.00 0.00 54.13 54.55 2ddb s LEU 62 Cb 0.18 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2ddb s LEU 62 CO 0.64 -0.40 0.86 -0.60 0.23 0.00 0.00 176.35 177.07 2ddb s ARG 63 N 1.71 4.52 -0.04 1.70 3.00 -1.26 -1.40 118.95 127.17 2ddb s ARG 63 Ca 0.50 1.19 -0.03 0.00 -1.00 0.00 0.00 55.73 56.39 2ddb s ARG 63 Cb -0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 34.95 31.27 2ddb s ARG 63 CO 0.21 0.05 0.12 0.00 0.00 0.00 0.00 175.30 175.68 2ddb s GLY 65 N -1.55 1.79 -0.21 0.00 0.00 0.11 -4.78 107.32 102.69 2ddb s GLY 65 Ca 0.21 -1.57 -0.16 0.00 0.00 0.00 0.00 44.72 43.20 2ddb s GLY 65 CO 0.12 -0.82 0.53 1.85 0.00 0.00 0.00 173.10 174.78 2ddb s GLU 66 N -5.63 0.59 -0.07 2.90 2.12 -1.26 -1.74 118.70 115.61 2ddb s GLU 66 Ca 0.73 0.82 0.05 0.00 0.36 0.00 0.00 54.97 56.93 2ddb s GLU 66 Cb -0.03 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 2ddb s GLU 66 CO 0.50 -0.10 -0.23 -0.80 -0.54 0.00 0.00 175.26 174.09 2ddb s ASN 67 N 0.70 3.24 0.06 -1.70 0.02 -0.27 -4.99 114.94 112.00 2ddb s ASN 67 Ca -0.03 -0.47 0.06 0.00 -1.02 0.00 0.00 52.86 51.40 2ddb s ASN 67 Cb -0.05 -0.98 -0.03 0.00 0.02 0.00 0.00 41.25 40.21 2ddb s ASN 67 CO -0.05 0.24 -0.18 -0.63 0.02 0.00 0.00 177.10 176.50 2ddb s ILE 68 N -0.10 1.43 -0.00 0.60 1.01 -1.26 -1.11 121.20 121.77 2ddb s ILE 68 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.40 2ddb s ILE 68 Cb -0.14 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 2ddb s ILE 68 CO 0.04 0.04 -0.02 0.12 0.00 0.00 0.00 174.94 175.13 2ddb s PHE 69 N -0.93 0.15 -0.02 3.97 5.36 0.28 -5.00 117.98 121.78 2ddb s PHE 69 Ca 0.04 -0.03 0.03 0.00 -0.96 0.00 0.00 56.93 56.01 2ddb s PHE 69 Cb -0.09 -0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.50 2ddb s PHE 69 CO 0.02 -0.00 -0.10 1.41 -1.46 0.00 0.00 175.22 175.08 2ddb s MET 70 N -0.06 0.98 0.05 10.12 -2.45 -1.26 -0.78 119.30 125.90 2ddb s MET 70 Ca 0.00 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.08 2ddb s MET 70 Cb -0.01 -0.92 -0.04 0.00 1.25 0.00 0.00 34.83 35.11 2ddb s MET 70 CO -0.00 0.16 -0.02 -1.54 1.05 0.00 0.00 175.02 174.68 2ddb s SER 71 N 0.02 0.44 0.00 1.11 1.04 -0.28 -4.97 113.70 111.06 2ddb s SER 71 Ca -0.01 -0.92 0.25 0.00 0.48 0.00 0.00 55.95 55.75 2ddb s SER 71 Cb -0.07 0.20 0.42 0.00 0.10 0.00 0.00 66.02 66.67 2ddb s SER 71 CO 0.00 -0.57 1.35 -1.54 0.98 0.00 0.00 173.24 173.46 2ddb n SER 72 N 0.27 1.09 -4.36 7.02 3.41 -1.26 -0.13 113.62 119.67 2ddb n SER 72 Ca -0.15 -0.87 -0.25 0.00 -0.26 0.00 0.00 58.87 57.34 2ddb n SER 72 Cb 0.60 0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.68 1.34 0.58 4.33 -1.52 -1.26 -4.19 119.66 116.26 2ddb s GLN 73 Ca 0.18 -1.39 -0.15 0.00 -1.95 0.00 0.00 55.36 52.04 2ddb s GLN 73 Cb 0.18 -1.58 -0.05 0.00 -0.22 0.00 0.00 33.01 31.34 2ddb s GLN 73 CO 0.62 0.35 1.04 -1.25 -0.25 0.00 0.00 175.29 175.79 2ddb s PRO 74 N -2.50 3.48 0.04 2.91 0.04 -1.26 -4.82 135.00 132.89 2ddb s PRO 74 Ca 0.15 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.31 2ddb s PRO 74 Cb -0.08 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2ddb s PRO 74 CO 0.07 -0.67 -0.08 -0.06 0.04 0.00 0.00 177.00 176.30 2ddb s PHE 75 N -2.58 0.71 0.65 0.56 0.08 -1.26 -5.14 117.98 111.01 2ddb s PHE 75 Ca 0.61 -0.47 -0.17 0.00 0.12 0.00 0.00 56.93 57.03 2ddb s PHE 75 Cb -0.14 -0.43 -0.00 0.00 -0.57 0.00 0.00 43.02 41.88 2ddb s PHE 75 CO 0.37 -0.06 1.19 -1.25 -0.10 0.00 0.00 175.22 175.37 2ddb s PRO 76 N -1.49 2.66 0.37 0.24 0.04 -1.26 -4.85 135.00 130.71 2ddb s PRO 76 Ca -0.08 1.74 0.11 0.00 0.04 0.00 0.00 61.00 62.80 2ddb s PRO 76 Cb -0.09 -1.90 0.88 0.00 0.04 0.00 0.00 34.50 33.43 2ddb s PRO 76 CO 0.01 -1.43 1.87 -1.49 0.04 0.00 0.00 177.00 176.00 2ddb h TRP 77 N 0.35 0.74 -0.70 0.56 4.06 -1.98 -1.23 115.95 117.75 2ddb h TRP 77 Ca -0.49 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.46 2ddb h TRP 77 Cb 1.29 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.18 2ddb h TRP 77 CO 0.48 0.27 0.34 0.66 -3.56 0.00 0.00 178.44 176.62 2ddb h SER 78 N 0.62 0.89 0.65 -3.49 4.64 -1.90 -0.49 113.55 114.47 2ddb h SER 78 Ca 0.44 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.54 2ddb h SER 78 Cb 0.79 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 2ddb h SER 78 CO -0.19 0.75 -0.62 1.23 -0.87 0.00 0.00 176.83 177.12 2ddb h GLY 79 N 1.04 0.00 0.89 -0.77 0.00 -1.60 -1.67 103.07 100.96 2ddb h GLY 79 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2ddb h GLY 79 CO -0.03 0.00 -0.11 -2.08 0.00 0.00 0.00 176.54 174.32 2ddb h VAL 80 N 0.00 1.29 -0.55 4.60 2.07 -0.86 -0.93 116.25 121.88 2ddb h VAL 80 Ca -0.01 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 2ddb h VAL 80 Cb 1.12 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2ddb h VAL 80 CO 0.08 0.37 -0.08 0.58 0.02 0.00 0.00 177.57 178.55 2ddb h VAL 81 N 0.32 1.27 -0.84 2.57 2.07 -1.03 -2.29 116.25 118.32 2ddb h VAL 81 Ca 0.07 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.40 2ddb h VAL 81 Cb 0.61 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2ddb h VAL 81 CO 0.04 0.43 0.55 -0.61 0.02 0.00 0.00 177.57 178.00 2ddb h GLN 82 N 0.89 0.98 -0.71 1.57 5.75 -1.29 -1.27 115.11 121.03 2ddb h GLN 82 Ca 0.15 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2ddb h GLN 82 Cb 0.64 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 2ddb h GLN 82 CO 0.04 0.65 0.31 0.00 -2.65 0.00 0.00 178.83 177.19 2ddb h ALA 83 N 1.52 0.92 -0.19 3.38 0.00 -0.62 0.65 119.26 124.92 2ddb h ALA 83 Ca 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ddb h ALA 83 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ddb h ALA 83 CO -0.11 0.51 0.06 -1.49 0.00 0.00 0.00 179.25 178.22 2ddb h TRP 84 N 1.01 0.31 -0.80 0.00 6.55 -1.07 -3.09 115.95 118.86 2ddb h TRP 84 Ca 0.24 -0.03 0.09 0.00 0.95 0.00 0.00 58.89 60.14 2ddb h TRP 84 Cb 0.16 -0.09 -0.05 0.00 -0.86 0.00 0.00 29.16 28.32 2ddb h TRP 84 CO 0.01 0.40 0.52 -0.92 -1.05 0.00 0.00 178.44 177.40 2ddb h TYR 85 N 0.14 0.81 0.00 0.49 3.20 -0.85 -2.75 116.97 118.01 2ddb h TYR 85 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2ddb h TYR 85 Cb 0.24 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2ddb h TYR 85 CO 0.00 0.39 0.00 -0.25 -1.64 0.00 0.00 178.16 176.66 2ddb n ASP 86 N -4.50 0.00 0.13 -2.11 8.00 0.19 -1.35 116.55 116.90 2ddb n ASP 86 Ca 0.13 0.34 0.09 0.00 0.71 0.00 0.00 54.79 56.06 2ddb n ASP 86 Cb 0.30 -0.40 0.47 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.40 0.11 0.00 -1.24 1.02 -1.05 -2.03 120.64 116.06 2ddb n GLU 87 Ca 0.03 0.60 0.22 0.00 -0.02 0.00 0.00 57.16 57.99 2ddb n GLU 87 Cb 0.09 -1.87 0.72 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.58 0.00 -3.67 2.10 -1.47 -1.58 117.51 113.47 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 0.02 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 2ddb h ILE 88 CO 0.00 0.00 0.02 0.11 -1.08 0.00 0.00 178.15 177.20 2ddb h LYS 89 N 0.00 0.00 -0.06 2.19 1.57 -1.68 -0.95 116.57 117.64 2ddb h LYS 89 Ca 0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2ddb h LYS 89 Cb 1.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2ddb h LYS 89 CO -0.00 0.00 -0.51 0.09 -0.57 0.00 0.00 179.45 178.46 2ddb n ASN 90 N -2.76 1.95 -4.14 0.86 3.02 -0.59 -5.01 115.26 108.58 2ddb n ASN 90 Ca -0.02 -3.90 -0.23 0.00 -0.03 0.00 0.00 54.58 50.40 2ddb n ASN 90 Cb 0.08 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.58 2ddb n ASN 90 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2ddb s PHE 91 N -3.26 1.37 -0.11 3.10 5.36 -0.36 -1.18 117.98 122.89 2ddb s PHE 91 Ca 0.39 -0.28 -0.00 0.00 -0.96 0.00 0.00 56.93 56.07 2ddb s PHE 91 Cb 0.37 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 42.22 2ddb s PHE 91 CO -0.06 -0.00 -0.07 0.08 -1.46 0.00 0.00 175.22 173.70 2ddb s VAL 92 N -0.49 1.01 0.18 3.12 1.01 0.02 -4.89 120.40 120.37 2ddb s VAL 92 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 61.98 61.42 2ddb s VAL 92 Cb -0.06 -1.03 -0.14 0.00 0.00 0.00 0.00 36.38 35.15 2ddb s VAL 92 CO -0.00 0.37 1.56 0.00 0.00 0.00 0.00 175.10 177.02 2ddb n TYR 93 N 4.93 2.30 0.00 5.22 4.19 -1.26 -0.17 117.16 132.37 2ddb n TYR 93 Ca -0.12 0.28 0.00 0.00 3.31 0.00 0.00 57.90 61.37 2ddb n TYR 93 Cb 0.50 -2.54 0.00 0.00 0.49 0.00 0.00 39.34 37.79 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 3.18 2.96 0.06 2.98 0.00 -0.16 -4.77 105.19 109.44 2ddb n GLY 94 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2ddb n GLY 94 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ddb n ILE 95 N 0.00 0.69 0.00 -0.61 0.00 -0.42 -4.85 119.36 114.18 2ddb n ILE 95 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 62.75 62.45 2ddb n ILE 95 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 39.64 38.75 2ddb n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ddb n GLY 96 N 2.81 0.90 3.65 4.50 0.00 0.76 -4.78 105.19 113.04 2ddb n GLY 96 Ca -0.20 -1.61 -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 3.47 -0.13 4.61 0.00 -1.26 -0.80 121.76 125.65 2ddb s ALA 97 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.04 2ddb s ALA 97 Cb 0.00 -3.85 0.04 0.00 0.00 0.00 0.00 23.12 19.32 2ddb s ALA 97 CO 0.00 -1.69 0.02 0.21 0.00 0.00 0.00 175.76 174.30 2ddb s LYS 98 N 4.58 0.56 0.75 0.00 2.20 -0.33 -3.23 119.74 124.28 2ddb s LYS 98 Ca 0.85 -0.12 -0.15 0.00 -0.36 0.00 0.00 55.97 56.18 2ddb s LYS 98 Cb -0.38 -1.52 0.02 0.00 -1.51 0.00 0.00 37.83 34.44 2ddb s LYS 98 CO 0.37 -0.48 0.93 -2.30 -0.36 0.00 0.00 175.35 173.51 2ddb n PRO 99 N 5.12 0.37 0.27 4.03 -0.02 -1.26 -4.26 135.00 139.25 2ddb n PRO 99 Ca -0.08 0.18 0.16 0.00 -2.02 0.00 0.00 63.50 61.75 2ddb n PRO 99 Cb 0.49 -2.20 0.91 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.48 0.00 -0.01 0.52 0.11 -1.94 -2.12 132.00 128.09 2ddb h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ddb h PRO 100 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2ddb h PRO 100 CO 0.45 0.00 -0.20 0.41 -0.21 0.00 0.00 178.00 178.46 2ddb n GLY 101 N -1.33 -0.77 3.77 -0.55 0.00 -1.26 -4.84 105.19 100.21 2ddb n GLY 101 Ca -0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.51 6.62 -0.24 1.61 0.01 -0.80 -4.99 113.70 113.41 2ddb s SER 102 Ca 0.26 2.74 -0.29 0.00 1.31 0.00 0.00 55.95 59.97 2ddb s SER 102 Cb 0.19 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2ddb s SER 102 CO 0.51 -0.64 1.04 -0.69 0.41 0.00 0.00 173.24 173.86 2ddb s VAL 103 N -1.16 4.66 0.00 3.43 1.01 -1.26 -4.81 120.40 122.27 2ddb s VAL 103 Ca 0.51 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.47 2ddb s VAL 103 Cb -0.41 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.66 2ddb s VAL 103 CO 0.54 -0.22 0.42 2.30 0.00 0.00 0.00 175.10 178.14 2ddb n ILE 104 N 5.39 0.00 0.23 2.22 -5.35 -1.26 -4.85 119.36 115.74 2ddb n ILE 104 Ca 0.12 -0.47 0.07 0.00 -0.27 0.00 0.00 62.75 62.19 2ddb n ILE 104 Cb 0.46 1.04 0.56 0.00 -1.74 0.00 0.00 39.64 39.97 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 0.95 3.28 0.00 -1.96 -1.47 103.07 103.87 2ddb h GLY 105 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2ddb h GLY 105 CO 0.00 0.00 -0.42 0.45 0.00 0.00 0.00 176.54 176.57 2ddb h HIS 106 N 0.00 0.81 0.01 5.60 3.86 -1.89 -2.64 115.15 120.91 2ddb h HIS 106 Ca -0.00 -0.30 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2ddb h HIS 106 Cb 0.31 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2ddb h HIS 106 CO 0.00 1.07 -0.04 -0.92 0.86 0.00 0.00 177.93 178.89 2ddb h TYR 107 N 0.32 -0.11 0.00 2.45 3.20 -1.26 -1.98 116.97 119.60 2ddb h TYR 107 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2ddb h TYR 107 Cb 1.03 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 2ddb h TYR 107 CO 0.09 -0.07 -0.15 1.79 -1.64 0.00 0.00 178.16 178.18 2ddb h THR 108 N -0.08 0.78 -0.10 1.81 1.35 -1.34 -0.67 112.91 114.66 2ddb h THR 108 Ca 0.01 -0.59 -0.21 0.00 -0.55 0.00 0.00 66.41 65.07 2ddb h THR 108 Cb 0.10 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2ddb h THR 108 CO -0.03 0.15 -0.78 -0.61 -0.25 0.00 0.00 175.52 173.99 2ddb h GLN 109 N 0.00 0.58 -0.77 4.72 5.75 -1.25 -0.83 115.11 123.32 2ddb h GLN 109 Ca -0.00 -0.50 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 2ddb h GLN 109 Cb 0.34 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 2ddb h GLN 109 CO 0.02 1.12 0.41 0.28 -2.65 0.00 0.00 178.83 178.01 2ddb h VAL 110 N 0.39 1.23 -0.64 2.39 2.07 -0.37 -2.85 116.25 118.48 2ddb h VAL 110 Ca -0.05 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2ddb h VAL 110 Cb 1.39 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2ddb h VAL 110 CO 0.15 0.26 0.00 1.33 0.02 0.00 0.00 177.57 179.33 2ddb n VAL 111 N -4.43 1.72 -1.81 2.57 0.24 -0.82 -4.85 118.33 110.96 2ddb n VAL 111 Ca 0.07 -1.12 -0.43 0.00 -2.04 0.00 0.00 64.34 60.82 2ddb n VAL 111 Cb 0.10 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.80 1.55 0.27 6.34 -0.11 -0.32 -4.53 118.94 120.33 2ddb s TRP 112 Ca 0.50 0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.96 2ddb s TRP 112 Cb 0.32 -4.06 0.60 0.00 -1.50 0.00 0.00 33.47 28.83 2ddb s TRP 112 CO 0.24 -4.29 1.73 0.10 -4.62 0.00 0.00 176.95 170.12 2ddb h TYR 113 N 11.71 0.66 0.00 5.86 -0.00 -1.59 -2.36 116.97 131.25 2ddb h TYR 113 Ca -0.42 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.35 2ddb h TYR 113 Cb 1.21 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 37.78 2ddb h TYR 113 CO 0.93 0.06 -0.57 -0.22 -0.00 0.00 0.00 178.16 178.37 2ddb h LYS 114 N 0.49 0.00 -6.20 0.10 1.63 -1.84 -2.14 116.57 108.60 2ddb h LYS 114 Ca 0.49 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.77 2ddb h LYS 114 Cb 0.81 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.39 2ddb h LYS 114 CO -0.44 0.00 1.20 -1.12 -3.45 0.00 0.00 179.45 175.64 2ddb s SER 115 N -5.45 5.76 0.00 4.20 0.01 -0.89 -4.28 113.70 113.04 2ddb s SER 115 Ca 0.03 0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.45 2ddb s SER 115 Cb 0.09 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2ddb s SER 115 CO 0.73 -2.05 0.67 0.00 0.41 0.00 0.00 173.24 173.00 2ddb n HIS 116 N 10.91 0.00 -5.27 2.43 1.44 -0.93 -4.74 115.22 119.06 2ddb n HIS 116 Ca 0.13 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.52 2ddb n HIS 116 Cb 0.50 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.45 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 -0.99 2.06 -0.01 2.39 1.43 -0.16 -1.37 118.68 122.04 2ddb s LEU 117 Ca 0.08 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2ddb s LEU 117 Cb 0.06 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.92 2ddb s LEU 117 CO 0.14 0.26 0.02 -0.51 0.23 0.00 0.00 176.35 176.49 2ddb s ILE 118 N -0.24 0.01 -0.07 -0.59 2.07 -0.75 -0.21 121.20 121.42 2ddb s ILE 118 Ca -0.01 -0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.10 2ddb s ILE 118 Cb -0.13 -0.06 0.02 0.00 0.13 0.00 0.00 42.46 42.42 2ddb s ILE 118 CO 0.03 -0.03 0.20 -0.83 -1.91 0.00 0.00 174.94 172.40 2ddb s GLY 119 N -0.07 -0.13 0.08 1.50 0.00 -0.13 -1.09 107.32 107.48 2ddb s GLY 119 Ca -0.01 0.49 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 2ddb s GLY 119 CO -0.00 0.40 0.03 0.00 0.00 0.00 0.00 173.10 173.53 2ddb s ALA 121 N -3.96 -1.40 0.15 0.00 0.00 -0.38 -4.72 121.76 111.45 2ddb s ALA 121 Ca 0.12 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.85 2ddb s ALA 121 Cb 0.07 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2ddb s ALA 121 CO -0.06 -0.50 -0.14 -1.54 0.00 0.00 0.00 175.76 173.52 2ddb s SER 122 N -1.88 2.19 -0.02 0.00 1.04 -1.26 -1.30 113.70 112.46 2ddb s SER 122 Ca -0.06 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2ddb s SER 122 Cb -0.01 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2ddb s SER 122 CO -0.00 -0.16 0.02 0.00 0.98 0.00 0.00 173.24 174.07 2ddb s ALA 123 N -2.44 0.18 -0.75 5.32 0.00 0.77 -4.88 121.76 119.96 2ddb s ALA 123 Ca 0.14 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 2ddb s ALA 123 Cb -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 23.12 22.91 2ddb s ALA 123 CO 0.04 -0.08 1.02 0.21 0.00 0.00 0.00 175.76 176.94 2ddb s LYS 124 N 0.99 3.28 0.14 0.00 2.20 -1.26 -1.19 119.74 123.90 2ddb s LYS 124 Ca -0.09 -1.16 0.05 0.00 -0.36 0.00 0.00 55.97 54.41 2ddb s LYS 124 Cb -0.13 -4.49 -0.13 0.00 -1.51 0.00 0.00 37.83 31.58 2ddb s LYS 124 CO -0.02 -1.80 1.31 0.00 -0.36 0.00 0.00 175.35 174.47 2ddb s SER 126 N -6.83 0.01 0.12 0.00 1.04 -0.94 -4.93 113.70 102.17 2ddb s SER 126 Ca -0.01 -0.93 0.11 0.00 0.48 0.00 0.00 55.95 55.61 2ddb s SER 126 Cb 0.10 0.68 0.55 0.00 0.10 0.00 0.00 66.02 67.44 2ddb s SER 126 CO 0.82 -1.35 1.35 -1.54 0.98 0.00 0.00 173.24 173.50 2ddb n SER 127 N -1.36 0.23 -0.07 7.02 3.41 -1.26 -2.40 113.62 119.20 2ddb n SER 127 Ca -0.06 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 2ddb n SER 127 Cb 0.60 -0.63 0.09 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.79 2.06 -3.31 4.04 3.41 -1.26 -4.72 113.62 112.05 2ddb n SER 128 Ca 0.01 -2.64 -0.08 0.00 -0.26 0.00 0.00 58.87 55.89 2ddb n SER 128 Cb 0.07 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.08 0.40 -0.14 4.33 2.20 -1.01 -4.22 119.74 119.22 2ddb s LYS 129 Ca 0.20 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2ddb s LYS 129 Cb 0.17 -0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2ddb s LYS 129 CO 0.02 -0.85 -0.22 0.71 -0.36 0.00 0.00 175.35 174.65 2ddb s TYR 130 N 2.57 2.67 -0.09 4.03 1.51 0.82 -0.59 117.35 128.27 2ddb s TYR 130 Ca 0.12 -1.36 0.04 0.00 -1.01 0.00 0.00 57.07 54.86 2ddb s TYR 130 Cb -0.14 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2ddb s TYR 130 CO -0.24 -0.62 -0.21 -1.17 -1.11 0.00 0.00 175.55 172.20 2ddb s LEU 131 N 0.83 2.28 -0.05 -1.29 0.20 -0.33 -1.13 118.68 119.19 2ddb s LEU 131 Ca -0.07 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.32 2ddb s LEU 131 Cb -0.15 -1.46 0.01 0.00 -0.43 0.00 0.00 46.19 44.16 2ddb s LEU 131 CO -0.02 0.21 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.82 2ddb s TYR 132 N 0.07 1.28 -0.08 5.38 1.51 0.04 -0.16 117.35 125.38 2ddb s TYR 132 Ca -0.09 -0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 2ddb s TYR 132 Cb -0.15 -0.93 0.02 0.00 -0.11 0.00 0.00 41.96 40.79 2ddb s TYR 132 CO 0.06 -0.20 -0.05 0.08 -1.11 0.00 0.00 175.55 174.33 2ddb s VAL 133 N 0.46 0.74 -0.06 0.71 1.01 -0.42 -0.56 120.40 122.29 2ddb s VAL 133 Ca -0.09 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2ddb s VAL 133 Cb -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2ddb s VAL 133 CO 0.02 0.31 -0.18 0.00 0.00 0.00 0.00 175.10 175.25 2ddb s GLN 135 N -0.48 2.15 -0.11 0.00 -0.21 0.96 -1.12 119.66 120.85 2ddb s GLN 135 Ca 0.06 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.53 2ddb s GLN 135 Cb -0.12 -2.12 0.03 0.00 1.00 0.00 0.00 33.01 31.80 2ddb s GLN 135 CO 0.01 0.57 -0.06 0.71 -2.12 0.00 0.00 175.29 174.40 2ddb s TYR 136 N -0.69 1.41 -0.05 0.91 1.51 -0.71 -0.96 117.35 118.78 2ddb s TYR 136 Ca 0.11 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 2ddb s TYR 136 Cb -0.10 -1.19 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2ddb s TYR 136 CO 0.00 -0.51 -0.16 0.00 -1.11 0.00 0.00 175.55 173.78 2ddb n PRO 138 N 3.27 -0.63 -1.76 0.00 -0.02 -1.26 -0.99 135.00 133.60 2ddb n PRO 138 Ca -0.19 -0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 60.75 2ddb n PRO 138 Cb 0.53 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2ddb n PRO 138 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddb n ALA 139 N -4.28 2.29 -2.04 3.55 0.00 0.05 -4.15 120.51 115.93 2ddb n ALA 139 Ca 0.11 0.35 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 2ddb n ALA 139 Cb 0.52 -2.41 0.15 0.00 0.00 0.00 0.00 19.45 17.71 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 0.90 -0.74 2.66 0.00 0.00 -1.26 -4.50 105.19 102.24 2ddb n GLY 140 Ca 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.46 -4.66 0.00 1.61 3.02 -1.26 -4.82 115.26 105.69 2ddb n ASN 141 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2ddb n ASN 141 Cb 0.49 -2.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 2ddb n ASN 141 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2ddb n ILE 142 N -2.36 0.00 -2.02 2.41 2.08 -1.26 -4.76 119.36 113.45 2ddb n ILE 142 Ca 0.00 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.89 2ddb n ILE 142 Cb 0.30 -0.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 2ddb n ILE 142 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2ddb n ARG 143 N -0.37 3.35 0.00 0.38 5.12 -1.26 -4.27 116.66 119.60 2ddb n ARG 143 Ca 0.00 -3.07 0.00 0.00 -1.93 0.00 0.00 57.85 52.85 2ddb n ARG 143 Cb 0.00 -3.06 0.00 0.00 -1.16 0.00 0.00 32.46 28.24 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 3.32 0.00 2.09 -0.13 0.00 -1.26 -5.12 105.19 104.10 2ddb n GLY 144 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2ddb n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ddb n SER 145 N 0.00 -8.47 0.24 1.61 2.88 -1.26 -4.61 113.62 104.01 2ddb n SER 145 Ca 0.00 1.41 0.16 0.00 -1.33 0.00 0.00 58.87 59.12 2ddb n SER 145 Cb 0.00 -4.93 0.78 0.00 -0.75 0.00 0.00 64.21 59.31 2ddb n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2ddb h ILE 146 N 4.39 0.00 0.00 2.46 2.10 -1.91 -2.47 117.51 122.08 2ddb h ILE 146 Ca 0.00 -0.19 -0.08 0.00 1.08 0.00 0.00 64.86 65.67 2ddb h ILE 146 Cb 0.00 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.74 2ddb h ILE 146 CO 0.00 0.00 -0.38 0.00 -1.08 0.00 0.00 178.15 176.69 2ddb h ALA 147 N 2.06 0.81 -2.69 0.18 0.00 -1.87 -3.36 119.26 114.39 2ddb h ALA 147 Ca 0.00 -0.34 -0.60 0.00 0.00 0.00 0.00 54.91 53.96 2ddb h ALA 147 Cb 0.22 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.55 2ddb h ALA 147 CO 0.00 0.47 -0.81 0.95 0.00 0.00 0.00 179.25 179.87 2ddb s THR 148 N -3.20 1.32 -1.03 0.00 -4.23 -0.93 -0.99 115.64 106.58 2ddb s THR 148 Ca 0.03 -3.16 0.15 0.00 -1.18 0.00 0.00 61.69 57.53 2ddb s THR 148 Cb 0.08 -1.89 0.13 0.00 1.34 0.00 0.00 72.50 72.16 2ddb s THR 148 CO 0.71 -1.11 1.47 -0.81 -0.54 0.00 0.00 174.62 174.34 2ddb n PRO 149 N 2.67 0.02 -3.95 3.99 -0.04 -1.25 -4.70 135.00 131.74 2ddb n PRO 149 Ca 0.23 0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.83 2ddb n PRO 149 Cb 0.42 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.97 0.38 -0.17 0.54 -0.85 -1.26 -1.54 117.35 111.48 2ddb s TYR 150 Ca 0.08 -0.74 -0.24 0.00 -0.52 0.00 0.00 57.07 55.65 2ddb s TYR 150 Cb 0.10 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.39 2ddb s TYR 150 CO 0.27 -0.74 0.77 0.21 -1.52 0.00 0.00 175.55 174.54 2ddb s LYS 151 N -3.97 4.28 0.30 -3.49 2.20 -1.26 -5.01 119.74 112.79 2ddb s LYS 151 Ca 0.17 0.91 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 2ddb s LYS 151 Cb 0.03 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 2ddb s LYS 151 CO 0.00 -0.29 1.01 -1.54 -0.36 0.00 0.00 175.35 174.18 2ddb s SER 152 N 1.15 7.32 0.00 1.43 1.04 -1.26 -0.47 113.70 122.90 2ddb s SER 152 Ca 0.36 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.83 2ddb s SER 152 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2ddb s SER 152 CO 0.12 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2ddb n GLY 153 N 1.01 -1.99 3.77 7.32 0.00 -0.21 -4.63 105.19 110.45 2ddb n GLY 153 Ca 0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.58 2.71 -1.66 1.61 -0.02 -1.26 -3.51 135.00 132.28 2ddb n PRO 154 Ca 0.00 0.95 -0.44 0.00 -2.02 0.00 0.00 63.50 61.99 2ddb n PRO 154 Cb 0.00 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 30.76 2ddb n PRO 154 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ddb n PRO 155 N 0.85 1.94 -1.45 0.52 -0.02 -1.25 -2.11 135.00 133.48 2ddb n PRO 155 Ca 0.03 0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 2ddb n PRO 155 Cb 0.38 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 2ddb n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddb h ALA 157 N 0.00 2.07 -0.40 0.00 0.00 -1.30 -1.42 119.26 118.21 2ddb h ALA 157 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ddb h ALA 157 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ddb h ALA 157 CO 0.47 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 2ddb n ASP 158 N -4.37 2.83 -2.79 0.00 8.00 -0.79 -4.29 116.55 115.14 2ddb n ASP 158 Ca 0.01 -1.93 -0.10 0.00 0.71 0.00 0.00 54.79 53.48 2ddb n ASP 158 Cb 0.24 -0.26 0.06 0.00 -0.02 0.00 0.00 41.12 41.14 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 2.67 0.00 -0.20 0.00 0.13 -1.67 -0.63 132.00 132.31 2ddb h PRO 160 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2ddb h PRO 160 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 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 -2.37 3.15 -2.96 1.44 7.64 -1.26 -4.70 113.62 114.55 2ddb n SER 161 Ca 0.00 -2.70 -0.14 0.00 1.01 0.00 0.00 58.87 57.04 2ddb n SER 161 Cb 0.15 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.48 0.59 -3.71 -0.43 0.00 -0.24 -5.08 120.51 111.16 2ddb n ALA 162 Ca 0.16 -2.43 -0.20 0.00 0.00 0.00 0.00 53.44 50.96 2ddb n ALA 162 Cb 0.67 -1.05 -0.18 0.00 0.00 0.00 0.00 19.45 18.89 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 1.92 0.80 -1.39 0.00 1.01 0.32 -4.84 120.40 118.23 2ddb s VAL 164 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2ddb s VAL 164 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2ddb s VAL 164 CO -0.04 0.32 0.62 0.59 0.00 0.00 0.00 175.10 176.59 2ddb n ASN 165 N 5.01 -1.30 0.00 3.32 3.02 -1.26 -1.56 115.26 122.49 2ddb n ASN 165 Ca -0.11 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 2ddb n ASN 165 Cb 0.50 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 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 -4.37 0.00 -4.63 3.52 1.74 -1.26 -4.88 116.66 106.78 2ddb n ARG 166 Ca -0.25 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.52 2ddb n ARG 166 Cb 0.66 -2.73 -0.12 0.00 -1.02 0.00 0.00 32.46 29.24 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 0.00 2.65 0.32 0.55 1.43 -0.60 -4.27 118.68 118.76 2ddb s LEU 167 Ca 0.00 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.44 2ddb s LEU 167 Cb 0.00 -1.54 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 2ddb s LEU 167 CO 0.00 0.25 0.92 0.00 0.23 0.00 0.00 176.35 177.76 2ddb n THR 169 N 0.46 1.86 -3.11 0.00 -2.24 0.14 -0.45 114.28 110.94 2ddb n THR 169 Ca 0.02 -2.03 -0.26 0.00 -2.27 0.00 0.00 64.05 59.50 2ddb n THR 169 Cb 0.51 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.11 3.87 -4.77 3.42 6.94 -1.26 -5.04 115.26 117.31 2ddb n ASN 170 Ca 0.15 -3.53 -0.37 0.00 -0.02 0.00 0.00 54.58 50.80 2ddb n ASN 170 Cb 0.65 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.46 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 -3.03 3.74 -0.06 -0.53 0.04 -1.26 -1.16 135.00 132.74 2ddb s PRO 171 Ca 0.45 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2ddb s PRO 171 Cb 0.24 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2ddb s PRO 171 CO -0.10 -0.59 1.18 0.00 0.04 0.00 0.00 177.00 177.54 2ddb n ASN 173 N 5.22 0.51 -4.75 0.00 3.02 -1.26 -4.87 115.26 113.13 2ddb n ASN 173 Ca 0.11 -0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 2ddb n ASN 173 Cb 0.46 0.21 0.10 0.00 -0.61 0.00 0.00 39.78 39.94 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 -3.03 2.39 -0.11 3.10 2.02 -1.26 -5.06 117.35 115.39 2ddb s TYR 174 Ca 0.10 1.60 -0.00 0.00 -0.37 0.00 0.00 57.07 58.40 2ddb s TYR 174 Cb 0.17 -3.15 0.02 0.00 -0.40 0.00 0.00 41.96 38.60 2ddb s TYR 174 CO 0.70 -2.00 -0.09 1.21 -1.57 0.00 0.00 175.55 173.80 2ddb s ASN 175 N -3.02 2.22 0.11 2.29 3.04 -1.26 -4.72 114.94 113.59 2ddb s ASN 175 Ca 0.64 -0.32 -0.30 0.00 0.04 0.00 0.00 52.86 52.91 2ddb s ASN 175 Cb -0.20 -0.88 -0.07 0.00 -1.54 0.00 0.00 41.25 38.57 2ddb s ASN 175 CO 0.53 -0.10 1.21 0.20 -3.04 0.00 0.00 177.10 175.89 2ddb s ASN 176 N 1.63 7.07 0.25 -4.21 0.01 -1.26 -4.47 114.94 113.96 2ddb s ASN 176 Ca 0.04 2.10 0.25 0.00 -0.71 0.00 0.00 52.86 54.54 2ddb s ASN 176 Cb -0.13 -2.59 0.70 0.00 0.41 0.00 0.00 41.25 39.64 2ddb s ASN 176 CO -0.08 -0.44 1.72 0.44 -1.51 0.00 0.00 177.10 177.23 2ddb h ASP 177 N 6.29 0.00 -4.02 -1.22 3.32 -1.06 -3.46 116.42 116.27 2ddb h ASP 177 Ca -0.43 -0.01 -0.41 0.00 0.02 0.00 0.00 57.03 56.20 2ddb h ASP 177 Cb 1.21 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 2ddb h ASP 177 CO 0.79 0.00 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.20 2ddb s PHE 178 N -3.12 1.41 -0.26 4.55 0.08 -1.26 -5.04 117.98 114.33 2ddb s PHE 178 Ca 0.10 -0.56 0.28 0.00 0.12 0.00 0.00 56.93 56.86 2ddb s PHE 178 Cb 0.11 -0.73 0.88 0.00 -0.57 0.00 0.00 43.02 42.71 2ddb s PHE 178 CO 0.62 0.15 1.79 1.03 -0.10 0.00 0.00 175.22 178.71 2ddb h SER 179 N 3.47 0.00 -0.71 1.36 0.87 -1.99 -3.17 113.55 113.38 2ddb h SER 179 Ca -0.40 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 59.81 2ddb h SER 179 Cb 1.20 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.95 2ddb h SER 179 CO 0.51 0.00 0.33 -0.46 -0.53 0.00 0.00 176.83 176.68 2ddb n ASN 180 N -2.91 3.34 -0.01 6.23 6.94 -1.26 -4.68 115.26 122.91 2ddb n ASN 180 Ca 0.03 -3.63 -0.03 0.00 -0.02 0.00 0.00 54.58 50.92 2ddb n ASN 180 Cb 0.40 -0.75 0.22 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.49 0.44 -0.73 0.00 3.64 -1.88 -0.41 116.57 118.12 2ddb h LYS 182 Ca 0.09 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2ddb h LYS 182 Cb 0.55 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2ddb h LYS 182 CO 0.04 0.46 0.26 1.03 -2.27 0.00 0.00 179.45 178.96 2ddb h SER 183 N 0.33 1.03 -0.49 4.20 0.87 -1.92 -0.68 113.55 116.88 2ddb h SER 183 Ca 0.10 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 2ddb h SER 183 Cb 0.18 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2ddb h SER 183 CO -0.01 0.94 0.06 -0.07 -0.53 0.00 0.00 176.83 177.22 2ddb h LEU 184 N 1.07 0.80 -0.17 2.23 3.38 -1.23 -1.11 115.31 120.29 2ddb h LEU 184 Ca 0.24 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ddb h LEU 184 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ddb h LEU 184 CO -0.01 0.87 0.11 0.00 0.09 0.00 0.00 178.44 179.50 2ddb h ALA 185 N 0.96 0.21 0.09 1.53 0.00 -0.93 -2.16 119.26 118.96 2ddb h ALA 185 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2ddb h ALA 185 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ddb h ALA 185 CO 0.01 -0.30 -0.17 0.87 0.00 0.00 0.00 179.25 179.67 2ddb h LYS 186 N 0.23 -0.31 -0.79 0.00 1.79 -0.98 0.66 116.57 117.17 2ddb h LYS 186 Ca 0.06 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 2ddb h LYS 186 Cb -0.02 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 2ddb h LYS 186 CO -0.01 -0.21 0.35 0.87 -1.08 0.00 0.00 179.45 179.38 2ddb h LYS 187 N -0.32 1.15 0.00 3.15 1.57 -1.23 -3.19 116.57 117.70 2ddb h LYS 187 Ca 0.03 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2ddb h LYS 187 Cb 0.34 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2ddb h LYS 187 CO -0.10 0.91 -0.73 -1.13 -0.57 0.00 0.00 179.45 177.83 2ddb n SER 188 N -4.34 0.68 -2.25 0.86 3.41 -0.81 -4.94 113.62 106.23 2ddb n SER 188 Ca 0.07 -0.49 -0.14 0.00 -0.26 0.00 0.00 58.87 58.05 2ddb n SER 188 Cb 0.15 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 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 -1.56 -1.96 -3.74 4.33 4.01 0.21 -2.03 118.16 117.41 2ddb n LYS 189 Ca 0.05 0.73 -0.28 0.00 -0.51 0.00 0.00 58.31 58.29 2ddb n LYS 189 Cb 0.35 -5.28 0.02 0.00 -0.51 0.00 0.00 35.03 29.61 2ddb n LYS 189 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ddb n GLN 191 N -4.45 0.50 -2.94 0.00 6.02 -0.86 -4.80 117.38 110.85 2ddb n GLN 191 Ca 0.02 -0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 2ddb n GLN 191 Cb 0.53 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 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 -3.35 4.93 0.26 5.09 2.01 -1.26 -4.97 115.64 118.35 2ddb s THR 192 Ca -0.01 1.57 -0.02 0.00 0.31 0.00 0.00 61.69 63.54 2ddb s THR 192 Cb 0.13 -4.11 0.24 0.00 0.01 0.00 0.00 72.50 68.77 2ddb s THR 192 CO 0.84 0.10 1.80 -0.08 -0.69 0.00 0.00 174.62 176.58 2ddb h GLU 193 N 7.18 0.75 -0.21 4.92 4.57 -2.01 -2.27 114.58 127.50 2ddb h GLU 193 Ca -0.33 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 57.69 2ddb h GLU 193 Cb 1.15 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2ddb h GLU 193 CO 0.81 0.49 -0.37 0.11 -1.18 0.00 0.00 179.01 178.87 2ddb h TRP 194 N 0.77 0.56 -0.51 0.92 5.08 -1.99 -2.15 115.95 118.63 2ddb h TRP 194 Ca 0.44 -0.15 -0.08 0.00 1.08 0.00 0.00 58.89 60.18 2ddb h TRP 194 Cb 0.50 -0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 26.51 2ddb h TRP 194 CO -0.06 0.79 -0.00 0.82 -1.28 0.00 0.00 178.44 178.71 2ddb h ILE 195 N 0.40 1.25 -0.51 0.12 2.04 -1.83 -0.30 117.51 118.68 2ddb h ILE 195 Ca 0.04 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 2ddb h ILE 195 Cb 0.84 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2ddb h ILE 195 CO 0.07 0.37 -0.06 0.11 0.00 0.00 0.00 178.15 178.64 2ddb h LYS 196 N 0.79 0.91 -0.35 2.37 1.57 -1.34 0.37 116.57 120.89 2ddb h LYS 196 Ca 0.15 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2ddb h LYS 196 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2ddb h LYS 196 CO 0.02 0.94 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.60 2ddb h LYS 197 N 0.83 0.64 0.00 3.15 3.64 -0.95 -3.18 116.57 120.69 2ddb h LYS 197 Ca 0.14 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2ddb h LYS 197 Cb 0.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2ddb h LYS 197 CO 0.03 0.77 -1.27 1.63 -2.27 0.00 0.00 179.45 178.34 2ddb n LYS 198 N -4.47 0.36 -2.66 1.90 4.76 -0.16 -4.35 118.16 113.54 2ddb n LYS 198 Ca -0.02 -0.06 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 2ddb n LYS 198 Cb 0.29 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 2ddb n LYS 198 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ddb h PRO 200 N 2.76 0.02 0.54 0.00 0.13 -1.73 -1.45 132.00 132.26 2ddb h PRO 200 Ca 0.19 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 2ddb h PRO 200 Cb 0.86 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ddb h PRO 200 CO 0.78 0.36 -0.26 0.00 -0.23 0.00 0.00 178.00 178.65 2ddb h ALA 201 N 1.64 -0.72 -0.43 -0.56 0.00 -1.84 -0.12 119.26 117.22 2ddb h ALA 201 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ddb h ALA 201 Cb 0.62 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ddb h ALA 201 CO 0.05 -0.86 0.23 0.77 0.00 0.00 0.00 179.25 179.44 2ddb h SER 202 N -0.81 0.52 1.32 0.00 0.02 -1.86 -0.27 113.55 112.47 2ddb h SER 202 Ca -0.07 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2ddb h SER 202 Cb 0.59 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2ddb h SER 202 CO 0.12 0.42 -0.70 0.00 -1.14 0.00 0.00 176.83 175.54 2ddb n PHE 204 N -2.89 0.00 -2.16 0.00 3.72 -0.07 -4.84 117.46 111.22 2ddb n PHE 204 Ca 0.00 -0.05 -0.31 0.00 -0.05 0.00 0.00 57.45 57.04 2ddb n PHE 204 Cb 0.60 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.16 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 2.58 0.82 -0.36 0.00 3.86 -1.87 -2.43 115.15 117.76 2ddb h HIS 206 Ca 0.41 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2ddb h HIS 206 Cb 0.76 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2ddb h HIS 206 CO 0.97 0.36 0.00 0.09 0.86 0.00 0.00 177.93 180.21 2ddb n ASN 207 N -4.53 4.09 -4.48 2.45 3.02 -1.26 -4.98 115.26 109.57 2ddb n ASN 207 Ca 0.15 -2.77 -0.24 0.00 -0.03 0.00 0.00 54.58 51.69 2ddb n ASN 207 Cb 0.37 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 2ddb n ASN 207 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ddb s LYS 208 N -2.40 1.68 -0.35 3.52 1.02 -0.92 -4.92 119.74 117.37 2ddb s LYS 208 Ca 0.42 -1.81 -0.28 0.00 0.02 0.00 0.00 55.97 54.31 2ddb s LYS 208 Cb 0.31 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.03 2ddb s LYS 208 CO 0.13 0.21 1.04 0.42 -0.92 0.00 0.00 175.35 176.23 2ddb s ILE 209 N -2.65 4.50 -2.93 2.17 -1.09 -0.30 -4.72 121.20 116.17 2ddb s ILE 209 Ca 0.30 1.55 0.25 0.00 -2.23 0.00 0.00 60.65 60.52 2ddb s ILE 209 Cb -0.01 -4.41 0.24 0.00 -1.58 0.00 0.00 42.46 36.70 2ddb s ILE 209 CO 0.14 -0.54 1.32 -0.38 -1.23 0.00 0.00 174.94 174.25