#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dda n ASN 5 N 0.00 -9.14 0.17 -5.58 2.85 -1.26 -4.61 115.26 97.68 2dda n ASN 5 Ca 0.00 1.69 0.03 0.00 -0.11 0.00 0.00 54.58 56.20 2dda n ASN 5 Cb 0.00 -5.11 0.24 0.00 1.24 0.00 0.00 39.78 36.15 2dda n ASN 5 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2dda h TYR 6 N 4.37 0.00 -0.17 1.20 -0.00 -2.04 -2.53 116.97 117.81 2dda h TYR 6 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 2dda h TYR 6 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2dda h TYR 6 CO 0.00 0.47 -0.11 1.96 -0.00 0.00 0.00 178.16 180.48 2dda h GLN 7 N 0.00 0.37 -0.34 0.10 4.20 -1.98 -1.00 115.11 116.45 2dda h GLN 7 Ca -0.00 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2dda h GLN 7 Cb 1.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 2dda h GLN 7 CO 0.06 0.70 0.10 -0.22 -0.67 0.00 0.00 178.83 178.81 2dda h LYS 8 N 0.03 0.54 -0.22 1.46 3.64 -1.86 -2.24 116.57 117.91 2dda h LYS 8 Ca 0.03 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2dda h LYS 8 Cb 0.61 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 2dda h LYS 8 CO 0.03 0.57 -0.16 1.49 -2.27 0.00 0.00 179.45 179.11 2dda h GLU 9 N 0.40 -0.15 -0.24 1.90 4.81 -1.41 0.19 114.58 120.08 2dda h GLU 9 Ca 0.11 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2dda h GLU 9 Cb 0.26 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2dda h GLU 9 CO -0.00 -0.10 0.07 0.82 -0.73 0.00 0.00 179.01 179.07 2dda h ILE 10 N -0.15 0.92 -0.32 2.32 2.04 -1.13 -0.94 117.51 120.26 2dda h ILE 10 Ca 0.13 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2dda h ILE 10 Cb 0.34 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2dda h ILE 10 CO -0.32 0.03 -0.08 0.58 0.00 0.00 0.00 178.15 178.37 2dda h VAL 11 N 0.18 1.28 -0.64 1.67 2.07 -1.13 -1.58 116.25 118.10 2dda h VAL 11 Ca 0.11 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2dda h VAL 11 Cb 0.09 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2dda h VAL 11 CO -0.12 0.36 0.20 0.44 0.02 0.00 0.00 177.57 178.47 2dda h ASP 12 N 0.40 0.93 0.35 0.57 5.19 -0.57 -0.05 116.42 123.25 2dda h ASP 12 Ca 0.08 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 2dda h ASP 12 Cb 0.57 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2dda h ASP 12 CO 0.03 0.89 -0.17 0.50 -3.12 0.00 0.00 179.24 177.37 2dda h LYS 13 N 0.92 -0.46 -0.52 3.56 1.63 -1.11 -0.71 116.57 119.87 2dda h LYS 13 Ca 0.21 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 60.14 2dda h LYS 13 Cb 0.29 0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 31.92 2dda h LYS 13 CO -0.01 -0.23 -0.19 0.45 -3.45 0.00 0.00 179.45 176.03 2dda h HIS 14 N -0.61 -0.46 -0.13 1.91 3.86 -1.16 -1.57 115.15 116.99 2dda h HIS 14 Ca -0.05 0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 2dda h HIS 14 Cb 0.44 0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2dda h HIS 14 CO -0.02 -0.28 -0.42 -0.91 0.86 0.00 0.00 177.93 177.16 2dda h ASN 15 N -0.07 0.32 -0.34 2.45 2.35 -0.88 -0.75 115.58 118.67 2dda h ASN 15 Ca 0.25 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2dda h ASN 15 Cb 0.45 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2dda h ASN 15 CO -0.57 0.71 0.21 0.00 -1.65 0.00 0.00 177.43 176.12 2dda h ALA 16 N 1.31 0.43 -0.37 -0.83 0.00 -0.73 -2.10 119.26 116.98 2dda h ALA 16 Ca 0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2dda h ALA 16 Cb 0.84 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2dda h ALA 16 CO 0.07 -0.08 -0.18 -0.07 0.00 0.00 0.00 179.25 178.98 2dda h LEU 17 N 0.44 0.68 -0.51 0.00 3.38 -1.00 -3.06 115.31 115.25 2dda h LEU 17 Ca 0.12 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 2dda h LEU 17 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2dda h LEU 17 CO -0.02 0.87 -0.64 0.03 0.09 0.00 0.00 178.44 178.76 2dda h ARG 18 N 0.61 0.41 -0.00 1.13 3.08 -0.99 -3.05 114.38 115.56 2dda h ARG 18 Ca 0.10 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2dda h ARG 18 Cb 0.65 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2dda h ARG 18 CO 0.05 0.91 -0.32 2.89 -1.07 0.00 0.00 179.97 182.43 2dda n ARG 19 N -3.89 0.09 0.00 0.04 1.85 -0.80 -3.70 116.66 110.24 2dda n ARG 19 Ca -0.03 -0.04 0.10 0.00 -1.00 0.00 0.00 57.85 56.88 2dda n ARG 19 Cb 0.65 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 2dda n ARG 19 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2dda n SER 20 N -1.42 2.02 -4.62 2.89 7.64 -1.16 -4.98 113.62 113.99 2dda n SER 20 Ca 0.07 -1.51 -0.42 0.00 1.01 0.00 0.00 58.87 58.02 2dda n SER 20 Cb 0.33 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2dda n SER 20 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2dda n VAL 21 N 0.06 2.30 -4.00 0.44 0.24 -1.16 -4.99 118.33 111.23 2dda n VAL 21 Ca 0.09 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.63 2dda n VAL 21 Cb 0.45 -1.20 -0.17 0.00 -1.47 0.00 0.00 33.84 31.45 2dda n VAL 21 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2dda s LYS 22 N -1.92 1.46 0.56 7.34 2.20 -1.26 -3.31 119.74 124.80 2dda s LYS 22 Ca 0.61 -0.24 -0.21 0.00 -0.36 0.00 0.00 55.97 55.77 2dda s LYS 22 Cb -0.58 -1.49 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 2dda s LYS 22 CO 0.58 -0.22 1.30 -1.25 -0.36 0.00 0.00 175.35 175.40 2dda s PRO 23 N 1.55 3.11 1.14 4.03 0.04 -1.26 -5.01 135.00 138.60 2dda s PRO 23 Ca 0.02 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 2dda s PRO 23 Cb -0.13 -2.17 0.19 0.00 0.04 0.00 0.00 34.50 32.43 2dda s PRO 23 CO -0.06 -1.17 0.53 0.25 0.04 0.00 0.00 177.00 176.59 2dda n THR 24 N -1.16 0.00 -4.63 1.26 -2.24 -1.21 -4.88 114.28 101.42 2dda n THR 24 Ca 0.11 -0.36 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 2dda n THR 24 Cb 0.46 -0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 67.73 2dda n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dda s ALA 25 N -2.33 1.39 0.04 6.98 0.00 -1.18 -2.50 121.76 124.15 2dda s ALA 25 Ca 0.62 -0.50 0.15 0.00 0.00 0.00 0.00 51.96 52.24 2dda s ALA 25 Cb -0.19 -0.62 0.29 0.00 0.00 0.00 0.00 23.12 22.60 2dda s ALA 25 CO 0.66 0.11 1.55 0.00 0.00 0.00 0.00 175.76 178.07 2dda h ARG 26 N 7.00 0.00 -0.01 0.00 3.08 -1.09 -2.95 114.38 120.40 2dda h ARG 26 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.63 2dda h ARG 26 Cb 1.19 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.98 2dda h ARG 26 CO 0.47 0.53 -0.86 0.27 -1.07 0.00 0.00 179.97 179.31 2dda n ASN 27 N -3.40 1.28 -4.63 7.04 6.94 -1.26 -1.30 115.26 119.94 2dda n ASN 27 Ca 0.01 -2.65 -0.43 0.00 -0.02 0.00 0.00 54.58 51.48 2dda n ASN 27 Cb 0.67 -0.38 -0.02 0.00 -2.36 0.00 0.00 39.78 37.69 2dda n ASN 27 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2dda s MET 28 N -1.18 3.99 0.37 -3.83 1.75 -1.26 -4.71 119.30 114.43 2dda s MET 28 Ca 0.35 0.97 -0.25 0.00 -1.25 0.00 0.00 55.69 55.51 2dda s MET 28 Cb 0.38 -3.77 -0.09 0.00 2.84 0.00 0.00 34.83 34.19 2dda s MET 28 CO -0.13 -1.00 1.03 -0.51 -0.65 0.00 0.00 175.02 173.76 2dda s LEU 29 N 3.83 4.22 0.25 4.11 1.43 -1.05 -0.32 118.68 131.15 2dda s LEU 29 Ca 0.46 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 55.29 2dda s LEU 29 Cb -0.11 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 2dda s LEU 29 CO 0.19 -0.37 1.31 -1.58 0.23 0.00 0.00 176.35 176.12 2dda s GLN 30 N -2.31 4.39 0.22 1.70 0.74 0.11 -4.71 119.66 119.80 2dda s GLN 30 Ca 0.55 2.11 -0.15 0.00 0.05 0.00 0.00 55.36 57.93 2dda s GLN 30 Cb -0.22 -3.15 -0.08 0.00 1.10 0.00 0.00 33.01 30.66 2dda s GLN 30 CO 0.28 -0.22 0.63 -1.64 -0.55 0.00 0.00 175.29 173.80 2dda s MET 31 N -0.74 4.00 0.05 1.67 -1.94 -1.26 -4.69 119.30 116.40 2dda s MET 31 Ca 0.54 0.56 -0.07 0.00 -1.71 0.00 0.00 55.69 55.01 2dda s MET 31 Cb -0.38 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 2dda s MET 31 CO 0.43 0.35 0.15 -1.59 -0.01 0.00 0.00 175.02 174.35 2dda s LYS 32 N -2.39 0.70 0.38 2.03 -2.85 0.53 -4.98 119.74 113.16 2dda s LYS 32 Ca 0.45 -0.82 -0.26 0.00 -1.00 0.00 0.00 55.97 54.34 2dda s LYS 32 Cb -0.13 0.28 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 2dda s LYS 32 CO 0.20 -0.20 1.19 -0.46 0.10 0.00 0.00 175.35 176.17 2dda s TRP 33 N -3.09 3.11 -0.10 1.78 -0.11 -1.26 -1.45 118.94 117.82 2dda s TRP 33 Ca -0.01 1.54 0.01 0.00 1.22 0.00 0.00 56.10 58.86 2dda s TRP 33 Cb 0.02 -3.43 0.02 0.00 -1.50 0.00 0.00 33.47 28.57 2dda s TRP 33 CO -0.07 -1.34 -0.11 1.21 -4.62 0.00 0.00 176.95 172.02 2dda s ASN 34 N -1.01 2.16 0.33 5.86 3.84 0.17 -4.77 114.94 121.53 2dda s ASN 34 Ca 0.55 -0.35 0.09 0.00 0.21 0.00 0.00 52.86 53.36 2dda s ASN 34 Cb -0.32 -0.92 0.57 0.00 -0.55 0.00 0.00 41.25 40.02 2dda s ASN 34 CO 0.41 -0.04 1.76 0.28 -2.79 0.00 0.00 177.10 176.72 2dda h SER 35 N 7.64 0.16 0.04 -4.21 0.02 -1.96 -1.74 113.55 113.50 2dda h SER 35 Ca -0.31 -0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.39 2dda h SER 35 Cb 1.16 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2dda h SER 35 CO 0.46 0.53 -0.67 0.03 -1.14 0.00 0.00 176.83 176.04 2dda h ARG 36 N 0.13 0.58 0.06 3.45 3.08 -1.96 -2.18 114.38 117.55 2dda h ARG 36 Ca 0.01 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 2dda h ARG 36 Cb 0.73 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2dda h ARG 36 CO 0.05 1.05 -0.03 0.00 -1.07 0.00 0.00 179.97 179.97 2dda h ALA 37 N 0.84 -0.09 -0.78 0.04 0.00 -1.81 -2.52 119.26 114.94 2dda h ALA 37 Ca -0.02 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.91 2dda h ALA 37 Cb 1.24 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2dda h ALA 37 CO 0.13 -0.44 0.36 0.00 0.00 0.00 0.00 179.25 179.30 2dda h ALA 38 N 0.61 1.13 -0.52 0.00 0.00 -1.37 -0.69 119.26 118.42 2dda h ALA 38 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2dda h ALA 38 Cb 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2dda h ALA 38 CO 0.01 -0.14 0.26 1.96 0.00 0.00 0.00 179.25 181.35 2dda h GLN 39 N 0.54 0.49 -0.34 0.00 4.20 -1.23 0.29 115.11 119.06 2dda h GLN 39 Ca 0.42 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 2dda h GLN 39 Cb 0.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2dda h GLN 39 CO -0.37 0.32 0.12 -0.91 -0.67 0.00 0.00 178.83 177.33 2dda h ASN 40 N 0.51 0.49 -0.41 1.46 2.35 -0.89 -0.13 115.58 118.96 2dda h ASN 40 Ca 0.23 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2dda h ASN 40 Cb 0.15 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2dda h ASN 40 CO -0.17 0.55 0.26 0.00 -1.65 0.00 0.00 177.43 176.41 2dda h ALA 41 N 0.96 0.52 -0.57 -0.83 0.00 -0.71 -1.58 119.26 117.05 2dda h ALA 41 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dda h ALA 41 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2dda h ALA 41 CO -0.01 -0.06 0.33 -0.22 0.00 0.00 0.00 179.25 179.29 2dda h LYS 42 N 0.52 0.62 -0.74 0.00 3.64 -0.29 0.23 116.57 120.55 2dda h LYS 42 Ca 0.16 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.59 2dda h LYS 42 Cb -0.03 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.58 2dda h LYS 42 CO -0.05 0.41 0.38 -0.09 -2.27 0.00 0.00 179.45 177.83 2dda h ARG 43 N 0.64 0.62 0.02 1.90 2.43 -0.53 -2.80 114.38 116.66 2dda h ARG 43 Ca 0.24 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2dda h ARG 43 Cb 0.06 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2dda h ARG 43 CO -0.12 0.41 -0.15 2.35 -1.51 0.00 0.00 179.97 180.95 2dda h TRP 44 N 0.64 0.11 -0.61 2.20 2.91 -0.61 -3.32 115.95 117.28 2dda h TRP 44 Ca 0.36 -0.08 0.08 0.00 1.13 0.00 0.00 58.89 60.39 2dda h TRP 44 Cb 0.37 -0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 28.95 2dda h TRP 44 CO -0.10 0.99 0.26 0.00 -1.03 0.00 0.00 178.44 178.56 2dda h ALA 45 N 0.09 0.79 0.00 2.65 0.00 -0.58 -1.73 119.26 120.48 2dda h ALA 45 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dda h ALA 45 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dda h ALA 45 CO 0.03 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.23 2dda n ASN 46 N -4.95 0.00 0.07 0.00 3.02 -1.06 -0.86 115.26 111.49 2dda n ASN 46 Ca 0.08 0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.76 2dda n ASN 46 Cb 0.24 -0.27 0.47 0.00 -0.61 0.00 0.00 39.78 39.61 2dda n ASN 46 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dda n ARG 47 N -1.27 0.16 -3.79 3.52 5.12 -0.65 -4.96 116.66 114.78 2dda n ARG 47 Ca 0.09 0.20 -0.27 0.00 -1.93 0.00 0.00 57.85 55.93 2dda n ARG 47 Cb 0.14 -1.71 0.04 0.00 -1.16 0.00 0.00 32.46 29.78 2dda n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dda s THR 49 N -3.35 1.67 -1.23 0.00 2.01 -1.26 -5.05 115.64 108.43 2dda s THR 49 Ca 0.55 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 2dda s THR 49 Cb -0.27 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.64 2dda s THR 49 CO 0.80 0.37 1.78 0.12 -0.69 0.00 0.00 174.62 177.00 2dda s PHE 50 N 1.42 2.47 0.07 4.92 5.36 -1.26 -4.82 117.98 126.14 2dda s PHE 50 Ca 0.03 -0.84 -0.26 0.00 -0.96 0.00 0.00 56.93 54.89 2dda s PHE 50 Cb -0.14 -4.50 0.09 0.00 -0.34 0.00 0.00 43.02 38.13 2dda s PHE 50 CO -0.10 -1.63 0.77 0.00 -1.46 0.00 0.00 175.22 172.80 2dda s ALA 51 N 6.59 -1.73 0.30 11.12 0.00 -1.26 -5.15 121.76 131.63 2dda s ALA 51 Ca 0.58 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 2dda s ALA 51 Cb 0.02 0.62 -0.10 0.00 0.00 0.00 0.00 23.12 23.66 2dda s ALA 51 CO 0.08 -0.73 1.25 -1.01 0.00 0.00 0.00 175.76 175.35 2dda s HIS 52 N -3.39 3.22 0.40 0.00 3.76 -1.26 -5.02 115.29 113.01 2dda s HIS 52 Ca 0.03 1.46 -0.25 0.00 -0.15 0.00 0.00 55.06 56.15 2dda s HIS 52 Cb -0.01 -3.56 -0.08 0.00 1.11 0.00 0.00 32.58 30.03 2dda s HIS 52 CO -0.11 -1.51 1.18 -1.54 -0.85 0.00 0.00 174.74 171.91 2dda s SER 53 N -0.46 6.50 0.55 1.40 1.04 -1.26 -5.01 113.70 116.46 2dda s SER 53 Ca 0.49 2.36 -0.21 0.00 0.48 0.00 0.00 55.95 59.07 2dda s SER 53 Cb -0.37 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.09 2dda s SER 53 CO 0.47 -0.69 1.26 -2.16 0.98 0.00 0.00 173.24 173.10 2dda s PRO 54 N -2.31 3.18 0.52 4.02 0.04 -1.26 -4.91 135.00 134.29 2dda s PRO 54 Ca 0.57 1.97 0.28 0.00 0.04 0.00 0.00 61.00 63.86 2dda s PRO 54 Cb -0.31 -2.15 1.40 0.00 0.04 0.00 0.00 34.50 33.49 2dda s PRO 54 CO 0.39 -1.08 1.92 -1.35 0.04 0.00 0.00 177.00 176.92 2dda h PRO 55 N 1.33 0.05 -0.90 0.56 0.11 -1.93 -0.22 132.00 131.00 2dda h PRO 55 Ca -0.50 -0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.84 2dda h PRO 55 Cb 1.29 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.23 2dda h PRO 55 CO 0.57 0.03 0.08 -0.91 -0.21 0.00 0.00 178.00 177.56 2dda h ASN 56 N 0.05 -0.32 -0.22 -2.05 4.21 -1.99 -2.35 115.58 112.90 2dda h ASN 56 Ca 0.37 0.24 0.00 0.00 1.21 0.00 0.00 56.30 58.12 2dda h ASN 56 Cb 1.41 0.39 0.00 0.00 -1.12 0.00 0.00 38.32 39.01 2dda h ASN 56 CO -0.02 -0.26 0.00 0.29 -1.29 0.00 0.00 177.43 176.14 2dda n LYS 57 N -5.39 1.91 -3.15 0.81 4.01 -0.09 -4.36 118.16 111.90 2dda n LYS 57 Ca 0.20 -1.37 -0.19 0.00 -0.51 0.00 0.00 58.31 56.44 2dda n LYS 57 Cb 0.67 -1.42 -0.03 0.00 -0.51 0.00 0.00 35.03 33.74 2dda n LYS 57 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2dda n ARG 58 N 0.60 0.87 -4.44 1.97 1.85 -0.88 -4.82 116.66 111.81 2dda n ARG 58 Ca 0.17 -3.17 -0.25 0.00 -1.00 0.00 0.00 57.85 53.59 2dda n ARG 58 Cb 0.39 -1.48 -0.11 0.00 -1.05 0.00 0.00 32.46 30.22 2dda n ARG 58 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dda s THR 59 N -1.70 2.48 -0.33 8.89 -4.23 -1.26 -0.77 115.64 118.73 2dda s THR 59 Ca 0.37 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2dda s THR 59 Cb 0.28 -2.26 0.12 0.00 1.34 0.00 0.00 72.50 71.98 2dda s THR 59 CO -0.10 -0.27 0.16 -0.69 -0.54 0.00 0.00 174.62 173.18 2dda s VAL 60 N -2.13 0.30 0.00 2.29 1.01 0.56 -4.88 120.40 117.55 2dda s VAL 60 Ca 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2dda s VAL 60 Cb -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2dda s VAL 60 CO 0.13 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2dda n GLY 61 N 4.59 2.59 0.77 4.51 0.00 -1.26 -2.26 105.19 114.13 2dda n GLY 61 Ca 0.02 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.37 2dda n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dda n LYS 62 N 6.01 1.98 -4.39 1.61 2.85 -1.26 -4.90 118.16 120.07 2dda n LYS 62 Ca 0.00 -1.50 -0.34 0.00 -1.05 0.00 0.00 58.31 55.42 2dda n LYS 62 Cb 0.00 -1.38 -0.12 0.00 -0.65 0.00 0.00 35.03 32.88 2dda n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2dda s LEU 63 N -1.25 3.32 0.24 -5.58 1.43 -0.96 -5.08 118.68 110.80 2dda s LEU 63 Ca 0.32 -0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.08 2dda s LEU 63 Cb 0.17 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.51 2dda s LEU 63 CO 0.24 0.21 0.87 -0.60 0.23 0.00 0.00 176.35 177.29 2dda s ARG 64 N 0.13 4.63 0.10 1.70 3.52 -1.26 -0.32 118.95 127.45 2dda s ARG 64 Ca -0.01 1.28 0.08 0.00 -0.13 0.00 0.00 55.73 56.95 2dda s ARG 64 Cb -0.13 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 2dda s ARG 64 CO 0.03 0.46 -0.14 0.00 -0.81 0.00 0.00 175.30 174.83 2dda s GLY 66 N -2.10 1.76 -0.09 0.00 0.00 0.70 -4.77 107.32 102.82 2dda s GLY 66 Ca 0.19 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.36 2dda s GLY 66 CO 0.11 -0.93 0.22 1.85 0.00 0.00 0.00 173.10 174.35 2dda s GLU 67 N -5.27 0.20 -0.07 2.90 2.12 -1.26 -1.63 118.70 115.69 2dda s GLU 67 Ca 0.66 0.42 0.03 0.00 0.36 0.00 0.00 54.97 56.45 2dda s GLU 67 Cb -0.06 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 2dda s GLU 67 CO 0.46 -0.12 -0.16 -0.80 -0.54 0.00 0.00 175.26 174.09 2dda s ASN 68 N 0.87 3.83 0.02 -1.70 0.02 -0.09 -4.97 114.94 112.92 2dda s ASN 68 Ca -0.06 -0.29 0.05 0.00 -1.02 0.00 0.00 52.86 51.54 2dda s ASN 68 Cb -0.08 -1.00 -0.02 0.00 0.02 0.00 0.00 41.25 40.18 2dda s ASN 68 CO -0.05 0.29 -0.14 -0.63 0.02 0.00 0.00 177.10 176.59 2dda s ILE 69 N -0.38 1.10 -0.02 0.60 1.01 -1.26 -1.22 121.20 121.03 2dda s ILE 69 Ca 0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 2dda s ILE 69 Cb -0.12 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2dda s ILE 69 CO 0.02 0.10 0.06 0.12 0.00 0.00 0.00 174.94 175.25 2dda s PHE 70 N -0.67 -0.06 -0.06 3.97 5.36 -0.38 -5.00 117.98 121.13 2dda s PHE 70 Ca 0.03 0.17 0.01 0.00 -0.96 0.00 0.00 56.93 56.17 2dda s PHE 70 Cb -0.07 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 2dda s PHE 70 CO 0.01 -0.04 -0.06 1.41 -1.46 0.00 0.00 175.22 175.08 2dda s MET 71 N 0.12 1.07 0.23 10.12 -2.45 -1.26 -0.70 119.30 126.42 2dda s MET 71 Ca -0.01 -0.16 0.06 0.00 -1.25 0.00 0.00 55.69 54.33 2dda s MET 71 Cb -0.01 -1.07 -0.05 0.00 1.25 0.00 0.00 34.83 34.94 2dda s MET 71 CO -0.00 -0.11 -0.07 -1.54 1.05 0.00 0.00 175.02 174.35 2dda s SER 72 N 1.11 2.29 0.03 1.11 1.04 -0.63 -4.96 113.70 113.69 2dda s SER 72 Ca -0.08 -1.13 0.24 0.00 0.48 0.00 0.00 55.95 55.46 2dda s SER 72 Cb -0.14 -0.08 0.21 0.00 0.10 0.00 0.00 66.02 66.10 2dda s SER 72 CO -0.01 -0.35 1.18 -1.54 0.98 0.00 0.00 173.24 173.50 2dda n SER 73 N -0.43 0.64 -4.42 7.02 3.41 -1.26 -0.03 113.62 118.54 2dda n SER 73 Ca -0.07 -0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 57.95 2dda n SER 73 Cb 0.62 0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 65.02 2dda n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dda s GLN 74 N -3.08 1.52 0.56 4.33 -1.52 -1.26 -4.15 119.66 116.06 2dda s GLN 74 Ca 0.07 -1.54 -0.16 0.00 -1.95 0.00 0.00 55.36 51.78 2dda s GLN 74 Cb 0.16 -1.84 -0.05 0.00 -0.22 0.00 0.00 33.01 31.06 2dda s GLN 74 CO 0.77 0.39 1.04 -1.25 -0.25 0.00 0.00 175.29 175.99 2dda s PRO 75 N -2.71 3.52 0.06 2.91 0.04 -1.26 -4.81 135.00 132.74 2dda s PRO 75 Ca 0.21 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.45 2dda s PRO 75 Cb -0.08 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2dda s PRO 75 CO 0.10 -0.65 -0.11 -0.06 0.04 0.00 0.00 177.00 176.33 2dda s PHE 76 N -2.45 0.94 0.52 0.56 0.40 -1.26 -5.13 117.98 111.56 2dda s PHE 76 Ca 0.63 -0.47 -0.21 0.00 -0.60 0.00 0.00 56.93 56.27 2dda s PHE 76 Cb -0.15 -0.54 -0.06 0.00 0.51 0.00 0.00 43.02 42.78 2dda s PHE 76 CO 0.34 -0.01 1.22 -1.25 0.70 0.00 0.00 175.22 176.22 2dda s PRO 77 N -1.64 3.37 0.26 0.24 0.04 -1.26 -4.84 135.00 131.18 2dda s PRO 77 Ca -0.06 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2dda s PRO 77 Cb -0.10 -2.22 0.46 0.00 0.04 0.00 0.00 34.50 32.68 2dda s PRO 77 CO 0.01 -0.91 1.84 -1.49 0.04 0.00 0.00 177.00 176.50 2dda h TRP 78 N 1.54 1.07 -0.33 0.56 4.06 -1.97 -1.15 115.95 119.73 2dda h TRP 78 Ca -0.50 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.51 2dda h TRP 78 Cb 1.28 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 2dda h TRP 78 CO 0.49 0.47 0.22 0.66 -3.56 0.00 0.00 178.44 176.73 2dda h SER 79 N 0.99 0.30 -0.29 -3.49 4.64 -1.91 0.16 113.55 113.94 2dda h SER 79 Ca 0.44 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.62 2dda h SER 79 Cb 0.35 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2dda h SER 79 CO -0.23 0.21 -0.33 1.23 -0.87 0.00 0.00 176.83 176.84 2dda h GLY 80 N 0.34 0.89 0.81 -0.77 0.00 -1.60 -1.50 103.07 101.24 2dda h GLY 80 Ca 0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2dda h GLY 80 CO -0.03 0.77 0.02 -2.08 0.00 0.00 0.00 176.54 175.22 2dda h VAL 81 N 0.68 1.19 -0.46 4.60 2.07 -0.47 -1.80 116.25 122.07 2dda h VAL 81 Ca 0.07 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2dda h VAL 81 Cb 0.88 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2dda h VAL 81 CO 0.08 0.17 0.05 0.58 0.02 0.00 0.00 177.57 178.47 2dda h VAL 82 N -0.06 1.22 -0.51 2.57 2.07 -0.83 -2.46 116.25 118.25 2dda h VAL 82 Ca 0.03 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 2dda h VAL 82 Cb 0.25 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2dda h VAL 82 CO 0.00 0.31 -0.03 -0.61 0.02 0.00 0.00 177.57 177.25 2dda h GLN 83 N 0.68 0.92 -0.37 1.57 5.75 -1.15 -0.74 115.11 121.78 2dda h GLN 83 Ca 0.14 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2dda h GLN 83 Cb 0.35 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2dda h GLN 83 CO 0.01 0.96 0.24 0.00 -2.65 0.00 0.00 178.83 177.40 2dda h ALA 84 N 0.93 1.82 0.01 3.38 0.00 -1.06 0.24 119.26 124.58 2dda h ALA 84 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dda h ALA 84 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2dda h ALA 84 CO 0.03 0.14 -0.01 -1.49 0.00 0.00 0.00 179.25 177.93 2dda h TRP 85 N 0.42 -0.01 -1.01 0.00 6.55 -0.99 -3.18 115.95 117.74 2dda h TRP 85 Ca 0.14 -0.00 0.23 0.00 0.95 0.00 0.00 58.89 60.22 2dda h TRP 85 Cb 0.06 0.00 -0.11 0.00 -0.86 0.00 0.00 29.16 28.26 2dda h TRP 85 CO -0.00 0.64 0.62 -0.92 -1.05 0.00 0.00 178.44 177.73 2dda h TYR 86 N -0.68 0.89 0.00 0.49 3.20 -0.80 -2.86 116.97 117.21 2dda h TYR 86 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2dda h TYR 86 Cb 0.66 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2dda h TYR 86 CO 0.16 0.12 0.00 -0.25 -1.64 0.00 0.00 178.16 176.55 2dda n ASP 87 N -4.74 0.00 0.22 -2.11 9.92 0.04 -1.44 116.55 118.44 2dda n ASP 87 Ca 0.25 -0.44 0.15 0.00 -0.53 0.00 0.00 54.79 54.22 2dda n ASP 87 Cb 0.73 -0.01 0.74 0.00 -0.64 0.00 0.00 41.12 41.94 2dda n ASP 87 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2dda h GLU 88 N 0.00 0.00 -1.63 -1.24 5.08 -1.66 -2.83 114.58 112.29 2dda h GLU 88 Ca 0.00 0.00 0.47 0.00 -1.00 0.00 0.00 59.36 58.83 2dda h GLU 88 Cb 0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 2dda h GLU 88 CO 0.00 0.00 1.22 -0.84 -1.00 0.00 0.00 179.01 178.39 2dda h ILE 89 N 0.00 0.13 -1.00 3.13 -0.00 -1.52 0.99 117.51 119.24 2dda h ILE 89 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 64.86 65.03 2dda h ILE 89 Cb 0.19 0.14 -0.17 0.00 -0.00 0.00 0.00 36.82 36.98 2dda h ILE 89 CO 0.00 0.00 -0.33 0.29 -0.00 0.00 0.00 178.15 178.11 2dda n LYS 90 N -3.94 -0.17 -1.29 0.16 4.01 -1.07 -1.49 118.16 114.38 2dda n LYS 90 Ca 0.36 1.54 -0.21 0.00 -0.51 0.00 0.00 58.31 59.50 2dda n LYS 90 Cb 1.72 -2.30 0.12 0.00 -0.51 0.00 0.00 35.03 34.07 2dda n LYS 90 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2dda n ASN 91 N -5.54 4.72 -4.09 4.39 3.02 0.34 -4.95 115.26 113.14 2dda n ASN 91 Ca 0.13 -3.75 -0.21 0.00 -0.03 0.00 0.00 54.58 50.71 2dda n ASN 91 Cb 0.45 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 38.75 2dda n ASN 91 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2dda s PHE 92 N -3.50 1.14 -0.07 3.10 2.19 -0.56 -0.23 117.98 120.05 2dda s PHE 92 Ca 0.54 -0.22 0.01 0.00 0.33 0.00 0.00 56.93 57.59 2dda s PHE 92 Cb 0.45 -0.73 0.02 0.00 -1.31 0.00 0.00 43.02 41.45 2dda s PHE 92 CO 0.02 -0.02 -0.09 0.08 1.83 0.00 0.00 175.22 177.05 2dda s VAL 93 N -0.32 0.95 0.21 3.12 1.01 -0.36 -4.90 120.40 120.11 2dda s VAL 93 Ca 0.05 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 2dda s VAL 93 Cb -0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 2dda s VAL 93 CO -0.00 0.33 1.52 -0.47 0.00 0.00 0.00 175.10 176.47 2dda s TYR 94 N 1.06 3.01 0.00 5.22 6.14 -1.26 -0.18 117.35 131.34 2dda s TYR 94 Ca -0.08 0.80 0.00 0.00 0.64 0.00 0.00 57.07 58.44 2dda s TYR 94 Cb -0.14 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.34 2dda s TYR 94 CO -0.01 -3.13 0.00 0.41 0.64 0.00 0.00 175.55 173.46 2dda n GLY 95 N 2.97 3.13 0.19 8.97 0.00 -0.78 -4.79 105.19 114.88 2dda n GLY 95 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2dda n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dda n ILE 96 N -1.77 1.44 0.00 -0.61 2.08 -0.20 -4.95 119.36 115.36 2dda n ILE 96 Ca 0.00 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.01 2dda n ILE 96 Cb 0.00 -1.92 0.00 0.00 -0.75 0.00 0.00 39.64 36.97 2dda n ILE 96 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dda n GLY 97 N 1.39 0.98 3.71 7.39 0.00 0.75 -4.76 105.19 114.65 2dda n GLY 97 Ca -0.47 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2dda n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dda s ALA 98 N -2.00 3.67 -0.26 4.61 0.00 -1.26 -1.22 121.76 125.29 2dda s ALA 98 Ca 0.00 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 2dda s ALA 98 Cb 0.00 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.62 2dda s ALA 98 CO 0.00 -0.82 0.21 0.21 0.00 0.00 0.00 175.76 175.36 2dda s LYS 99 N 1.65 0.23 0.59 0.00 2.47 0.68 -3.13 119.74 122.22 2dda s LYS 99 Ca 0.68 -0.20 -0.17 0.00 -1.56 0.00 0.00 55.97 54.72 2dda s LYS 99 Cb -0.39 -1.04 -0.03 0.00 -1.46 0.00 0.00 37.83 34.91 2dda s LYS 99 CO 0.30 -0.92 1.10 -1.25 0.16 0.00 0.00 175.35 174.74 2dda s PRO 100 N 2.25 3.16 0.42 4.03 0.04 -1.26 -4.21 135.00 139.42 2dda s PRO 100 Ca 0.08 1.43 0.22 0.00 0.04 0.00 0.00 61.00 62.77 2dda s PRO 100 Cb -0.15 -2.00 1.20 0.00 0.04 0.00 0.00 34.50 33.59 2dda s PRO 100 CO -0.28 -0.97 1.63 -1.00 0.04 0.00 0.00 177.00 176.42 2dda h PRO 101 N 0.62 0.00 0.00 0.56 0.13 -1.92 -1.16 132.00 130.22 2dda h PRO 101 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dda h PRO 101 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2dda h PRO 101 CO 0.56 0.00 -0.56 0.41 -0.23 0.00 0.00 178.00 178.18 2dda n GLY 102 N -1.25 -1.36 3.77 1.56 0.00 -1.26 -4.84 105.19 101.81 2dda n GLY 102 Ca -0.01 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2dda n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dda n SER 103 N -1.88 3.75 -4.67 1.61 7.64 -0.44 -4.97 113.62 114.65 2dda n SER 103 Ca 0.04 1.23 -0.42 0.00 1.01 0.00 0.00 58.87 60.73 2dda n SER 103 Cb 0.40 -1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 2dda n SER 103 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dda s VAL 104 N -1.12 4.82 0.00 0.44 1.01 -1.26 -4.80 120.40 119.49 2dda s VAL 104 Ca 0.53 1.81 0.00 0.00 0.00 0.00 0.00 61.98 64.32 2dda s VAL 104 Cb -0.48 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2dda s VAL 104 CO 0.64 -0.02 0.71 2.30 0.00 0.00 0.00 175.10 178.72 2dda n ILE 105 N 4.82 0.50 0.28 2.22 -6.64 -1.26 -4.87 119.36 114.41 2dda n ILE 105 Ca 0.07 -0.60 0.15 0.00 -1.77 0.00 0.00 62.75 60.60 2dda n ILE 105 Cb 0.48 0.84 0.52 0.00 -1.44 0.00 0.00 39.64 40.04 2dda n ILE 105 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2dda h GLY 106 N 0.00 0.00 0.81 3.28 0.00 -1.96 -1.20 103.07 104.00 2dda h GLY 106 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2dda h GLY 106 CO 0.00 0.00 -0.32 0.45 0.00 0.00 0.00 176.54 176.67 2dda h HIS 107 N 0.00 0.59 -0.27 5.60 3.86 -1.89 -3.13 115.15 119.91 2dda h HIS 107 Ca 0.00 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2dda h HIS 107 Cb 0.65 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2dda h HIS 107 CO 0.00 0.94 0.15 -0.92 0.86 0.00 0.00 177.93 178.96 2dda h TYR 108 N 0.07 0.36 -0.30 2.45 3.20 -1.27 -2.05 116.97 119.43 2dda h TYR 108 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2dda h TYR 108 Cb 0.92 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 2dda h TYR 108 CO 0.10 0.30 -0.13 1.79 -1.64 0.00 0.00 178.16 178.59 2dda h THR 109 N 0.32 1.23 -0.35 1.81 1.35 -1.35 -2.35 112.91 113.58 2dda h THR 109 Ca 0.09 -1.03 -0.14 0.00 -0.55 0.00 0.00 66.41 64.79 2dda h THR 109 Cb 0.06 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 2dda h THR 109 CO -0.02 0.34 -0.31 -0.61 -0.25 0.00 0.00 175.52 174.67 2dda h GLN 110 N 0.47 0.82 -0.81 4.72 5.75 -1.51 0.54 115.11 125.09 2dda h GLN 110 Ca 0.09 -0.42 0.13 0.00 -0.15 0.00 0.00 58.65 58.30 2dda h GLN 110 Cb 0.50 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.97 2dda h GLN 110 CO 0.03 1.06 0.40 0.28 -2.65 0.00 0.00 178.83 177.95 2dda h VAL 111 N 0.61 0.75 -0.56 2.39 2.07 -1.02 -2.60 116.25 117.88 2dda h VAL 111 Ca 0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2dda h VAL 111 Cb 0.89 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2dda h VAL 111 CO 0.08 0.11 0.00 1.33 0.02 0.00 0.00 177.57 179.11 2dda n VAL 112 N -4.88 1.99 -1.75 2.57 0.24 -0.91 -4.84 118.33 110.75 2dda n VAL 112 Ca 0.15 -1.32 -0.42 0.00 -2.04 0.00 0.00 64.34 60.71 2dda n VAL 112 Cb 0.39 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 2dda n VAL 112 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2dda s TRP 113 N -2.07 1.44 0.25 6.34 -0.11 0.19 -4.56 118.94 120.42 2dda s TRP 113 Ca 0.48 -0.15 -0.02 0.00 1.22 0.00 0.00 56.10 57.62 2dda s TRP 113 Cb 0.33 -4.13 0.50 0.00 -1.50 0.00 0.00 33.47 28.67 2dda s TRP 113 CO 0.20 -4.91 1.74 0.10 -4.62 0.00 0.00 176.95 169.46 2dda h TYR 114 N 11.01 0.63 0.00 5.86 -0.00 -1.59 -2.78 116.97 130.10 2dda h TYR 114 Ca -0.46 0.04 -0.17 0.00 -0.00 0.00 0.00 58.73 58.13 2dda h TYR 114 Cb 1.22 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.77 2dda h TYR 114 CO 0.94 0.11 -0.82 -0.22 -0.00 0.00 0.00 178.16 178.17 2dda h LYS 115 N 0.52 0.05 -5.73 0.10 3.11 -1.85 -2.78 116.57 110.00 2dda h LYS 115 Ca 0.44 -0.05 -0.31 0.00 -2.81 0.00 0.00 60.65 57.92 2dda h LYS 115 Cb 0.66 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.85 2dda h LYS 115 CO -0.39 0.84 0.79 -1.12 -2.81 0.00 0.00 179.45 176.76 2dda s SER 116 N -6.82 5.21 0.00 4.20 0.01 -1.05 -4.34 113.70 110.92 2dda s SER 116 Ca -0.01 -0.76 0.19 0.00 1.31 0.00 0.00 55.95 56.68 2dda s SER 116 Cb 0.11 -2.56 -0.20 0.00 0.21 0.00 0.00 66.02 63.58 2dda s SER 116 CO 0.80 -2.69 0.84 0.00 0.41 0.00 0.00 173.24 172.60 2dda n TYR 117 N 13.71 0.00 -4.84 2.43 4.11 -1.04 -4.77 117.16 126.77 2dda n TYR 117 Ca 0.40 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.97 2dda n TYR 117 Cb 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.68 2dda n TYR 117 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2dda s LEU 118 N -2.89 2.77 0.05 -3.48 1.43 -0.38 -0.35 118.68 115.83 2dda s LEU 118 Ca 0.08 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2dda s LEU 118 Cb 0.15 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2dda s LEU 118 CO 0.78 0.30 -0.07 -0.51 0.23 0.00 0.00 176.35 177.08 2dda s ILE 119 N -0.44 0.50 -0.24 -0.59 2.07 -0.53 -0.88 121.20 121.09 2dda s ILE 119 Ca 0.06 -1.16 -0.16 0.00 -1.41 0.00 0.00 60.65 57.98 2dda s ILE 119 Cb -0.12 -0.69 0.07 0.00 0.13 0.00 0.00 42.46 41.85 2dda s ILE 119 CO 0.02 -0.45 0.61 -0.83 -1.91 0.00 0.00 174.94 172.38 2dda s GLY 120 N -1.73 -0.52 0.09 1.50 0.00 -0.48 0.43 107.32 106.60 2dda s GLY 120 Ca -0.08 2.05 0.00 0.00 0.00 0.00 0.00 44.72 46.69 2dda s GLY 120 CO -0.00 2.00 -0.03 0.00 0.00 0.00 0.00 173.10 175.07 2dda s ALA 122 N -3.81 -1.46 0.34 0.00 0.00 -0.09 -4.72 121.76 112.03 2dda s ALA 122 Ca 0.13 1.19 0.09 0.00 0.00 0.00 0.00 51.96 53.37 2dda s ALA 122 Cb 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 2dda s ALA 122 CO -0.05 -0.32 -0.09 -1.54 0.00 0.00 0.00 175.76 173.76 2dda s SER 123 N -0.81 3.63 -0.14 0.00 1.04 -1.26 -0.96 113.70 115.19 2dda s SER 123 Ca -0.09 -1.21 -0.12 0.00 0.48 0.00 0.00 55.95 55.02 2dda s SER 123 Cb -0.02 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.81 2dda s SER 123 CO 0.06 -0.23 0.37 0.00 0.98 0.00 0.00 173.24 174.42 2dda s ALA 124 N -2.66 -0.91 -0.77 5.32 0.00 -0.04 -4.87 121.76 117.83 2dda s ALA 124 Ca 0.32 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 2dda s ALA 124 Cb 0.03 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.57 2dda s ALA 124 CO 0.16 -0.19 1.07 0.21 0.00 0.00 0.00 175.76 177.01 2dda s LYS 125 N 0.48 3.28 0.16 0.00 2.20 -1.26 -2.02 119.74 122.59 2dda s LYS 125 Ca -0.02 -1.05 -0.07 0.00 -0.36 0.00 0.00 55.97 54.46 2dda s LYS 125 Cb -0.04 -4.50 0.01 0.00 -1.51 0.00 0.00 37.83 31.79 2dda s LYS 125 CO -0.02 -1.87 1.45 0.00 -0.36 0.00 0.00 175.35 174.55 2dda n SER 127 N -3.97 -1.44 0.00 0.00 3.41 -1.12 -4.95 113.62 105.54 2dda n SER 127 Ca -0.04 -1.96 0.07 0.00 -0.26 0.00 0.00 58.87 56.68 2dda n SER 127 Cb 0.63 2.39 0.34 0.00 -0.26 0.00 0.00 64.21 67.31 2dda n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dda n SER 128 N -1.29 0.00 -0.25 4.04 3.41 -1.26 -2.54 113.62 115.72 2dda n SER 128 Ca -0.05 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 58.95 2dda n SER 128 Cb 0.39 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.03 2dda n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dda n SER 129 N -1.41 1.66 -3.50 4.04 3.41 -1.26 -4.75 113.62 111.81 2dda n SER 129 Ca 0.05 -2.83 -0.09 0.00 -0.26 0.00 0.00 58.87 55.74 2dda n SER 129 Cb 0.15 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 2dda n SER 129 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2dda s LYS 130 N -2.07 0.32 -0.06 4.33 2.20 -1.05 -4.25 119.74 119.16 2dda s LYS 130 Ca 0.24 0.75 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 2dda s LYS 130 Cb 0.22 -0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 2dda s LYS 130 CO 0.01 -0.46 -0.15 0.71 -0.36 0.00 0.00 175.35 175.11 2dda s TYR 131 N 2.56 1.58 -0.06 4.03 1.51 0.95 -1.15 117.35 126.78 2dda s TYR 131 Ca 0.06 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 2dda s TYR 131 Cb -0.14 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2dda s TYR 131 CO -0.14 -0.23 -0.14 -1.17 -1.11 0.00 0.00 175.55 172.76 2dda s LEU 132 N 0.38 1.74 -0.04 -1.29 2.96 -0.85 -1.61 118.68 119.97 2dda s LEU 132 Ca -0.10 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2dda s LEU 132 Cb -0.14 -0.87 0.00 0.00 0.50 0.00 0.00 46.19 45.69 2dda s LEU 132 CO 0.03 0.07 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.70 2dda s TYR 133 N 0.48 1.30 -0.04 5.38 1.51 0.12 -0.86 117.35 125.24 2dda s TYR 133 Ca -0.12 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2dda s TYR 133 Cb -0.14 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.82 2dda s TYR 133 CO 0.04 -0.15 0.01 0.08 -1.11 0.00 0.00 175.55 174.41 2dda s VAL 134 N 0.23 0.17 -0.03 0.71 1.01 -0.13 -1.25 120.40 121.10 2dda s VAL 134 Ca -0.05 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2dda s VAL 134 Cb -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2dda s VAL 134 CO 0.02 0.16 -0.18 0.00 0.00 0.00 0.00 175.10 175.10 2dda s GLN 136 N -0.22 1.69 -0.08 0.00 -0.21 0.36 -0.91 119.66 120.29 2dda s GLN 136 Ca 0.02 -1.19 -0.01 0.00 0.02 0.00 0.00 55.36 54.20 2dda s GLN 136 Cb -0.09 -1.99 0.03 0.00 1.00 0.00 0.00 33.01 31.95 2dda s GLN 136 CO 0.01 0.49 -0.02 0.71 -2.12 0.00 0.00 175.29 174.36 2dda s TYR 137 N -0.95 0.85 -0.06 0.91 1.51 -0.64 -1.38 117.35 117.58 2dda s TYR 137 Ca 0.14 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 2dda s TYR 137 Cb -0.10 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.86 2dda s TYR 137 CO 0.05 -0.36 -0.17 0.00 -1.11 0.00 0.00 175.55 173.95 2dda s PRO 139 N 0.33 1.78 0.47 0.00 0.02 -1.26 -1.25 135.00 135.08 2dda s PRO 139 Ca -0.11 1.19 -0.24 0.00 0.02 0.00 0.00 61.00 61.86 2dda s PRO 139 Cb -0.15 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 2dda s PRO 139 CO 0.04 -1.98 1.27 0.00 -0.33 0.00 0.00 177.00 176.00 2dda n ALA 140 N -3.76 1.30 -1.88 -1.55 0.00 -0.92 -3.95 120.51 109.75 2dda n ALA 140 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2dda n ALA 140 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2dda n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dda n GLY 141 N 0.83 0.75 3.06 0.00 0.00 -1.26 -4.79 105.19 103.79 2dda n GLY 141 Ca 0.08 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 2dda n GLY 141 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dda n ASN 142 N -1.46 -5.89 -4.77 1.61 3.02 -1.26 -4.95 115.26 101.56 2dda n ASN 142 Ca 0.00 -0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 53.82 2dda n ASN 142 Cb 0.00 -4.66 -0.01 0.00 -0.61 0.00 0.00 39.78 34.50 2dda n ASN 142 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2dda s ILE 143 N -3.18 2.65 0.30 2.41 -4.36 -1.26 -4.86 121.20 112.90 2dda s ILE 143 Ca 0.35 0.62 -0.29 0.00 -0.26 0.00 0.00 60.65 61.08 2dda s ILE 143 Cb -0.16 -3.38 -0.13 0.00 1.25 0.00 0.00 42.46 40.04 2dda s ILE 143 CO 0.44 0.12 1.33 -1.14 0.24 0.00 0.00 174.94 175.93 2dda n ARG 144 N 0.46 2.07 0.00 0.37 0.63 -1.26 -2.25 116.66 116.68 2dda n ARG 144 Ca 0.02 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 2dda n ARG 144 Cb 0.43 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 31.00 2dda n ARG 144 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dda n GLY 145 N 1.38 3.04 0.15 5.14 0.00 -1.26 -4.78 105.19 108.86 2dda n GLY 145 Ca 0.08 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.37 2dda n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dda n SER 146 N 1.35 1.25 0.26 1.61 7.64 -0.95 -4.36 113.62 120.43 2dda n SER 146 Ca 0.00 -1.08 0.09 0.00 1.01 0.00 0.00 58.87 58.89 2dda n SER 146 Cb 0.00 0.76 0.67 0.00 -1.01 0.00 0.00 64.21 64.64 2dda n SER 146 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2dda h ILE 147 N 0.73 0.93 0.00 0.44 2.10 -1.81 0.31 117.51 120.21 2dda h ILE 147 Ca 0.00 -0.08 -0.06 0.00 1.08 0.00 0.00 64.86 65.81 2dda h ILE 147 Cb 0.57 1.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.34 2dda h ILE 147 CO 0.00 0.02 -0.27 0.00 -1.08 0.00 0.00 178.15 176.82 2dda h ALA 148 N 1.98 1.06 -2.51 0.18 0.00 -1.86 -3.36 119.26 114.76 2dda h ALA 148 Ca -0.00 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 2dda h ALA 148 Cb 0.04 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 2dda h ALA 148 CO 0.00 0.33 -0.80 0.25 0.00 0.00 0.00 179.25 179.04 2dda n THR 149 N -3.50 0.47 0.62 0.00 -2.24 0.11 -1.87 114.28 107.87 2dda n THR 149 Ca -0.00 -4.33 0.07 0.00 -2.27 0.00 0.00 64.05 57.52 2dda n THR 149 Cb 0.43 -1.96 0.34 0.00 -2.10 0.00 0.00 70.33 67.04 2dda n THR 149 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dda n PRO 150 N 1.94 0.13 -3.90 -0.78 -0.04 -1.04 -4.67 135.00 126.65 2dda n PRO 150 Ca 0.25 0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2dda n PRO 150 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2dda n PRO 150 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2dda s TYR 151 N -2.72 0.26 -0.29 0.54 1.13 -1.26 -1.57 117.35 113.43 2dda s TYR 151 Ca 0.11 -0.62 -0.26 0.00 -1.41 0.00 0.00 57.07 54.89 2dda s TYR 151 Cb 0.10 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 41.00 2dda s TYR 151 CO 0.23 -0.74 0.90 0.21 -2.51 0.00 0.00 175.55 173.65 2dda s LYS 152 N -3.93 4.06 0.19 -3.49 2.20 -1.26 -5.01 119.74 112.49 2dda s LYS 152 Ca 0.14 0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 56.31 2dda s LYS 152 Cb 0.03 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 2dda s LYS 152 CO -0.02 -0.71 1.46 -1.54 -0.36 0.00 0.00 175.35 174.18 2dda s SER 153 N 1.53 6.69 0.00 1.43 1.04 -1.26 -0.93 113.70 122.20 2dda s SER 153 Ca 0.38 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.37 2dda s SER 153 Cb -0.14 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2dda s SER 153 CO 0.12 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2dda n GLY 154 N 2.94 -0.96 3.69 7.32 0.00 -1.04 -4.66 105.19 112.48 2dda n GLY 154 Ca 0.10 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 2dda n GLY 154 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dda n PRO 155 N 0.00 2.31 -1.61 1.61 -0.02 -1.26 -3.12 135.00 132.91 2dda n PRO 155 Ca 0.00 0.83 -0.59 0.00 -2.02 0.00 0.00 63.50 61.72 2dda n PRO 155 Cb 0.00 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 30.84 2dda n PRO 155 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2dda n PRO 156 N 2.65 0.50 -1.92 0.52 -0.02 -1.24 -0.99 135.00 134.51 2dda n PRO 156 Ca 0.13 0.18 -0.21 0.00 -2.02 0.00 0.00 63.50 61.58 2dda n PRO 156 Cb 0.32 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 2dda n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dda h ALA 158 N 0.41 1.00 -0.52 0.00 0.00 -0.75 -1.07 119.26 118.33 2dda h ALA 158 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2dda h ALA 158 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2dda h ALA 158 CO 0.61 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 2dda n ASP 159 N -2.69 3.75 -2.80 0.00 8.00 -0.42 -4.59 116.55 117.80 2dda n ASP 159 Ca -0.02 -2.21 -0.10 0.00 0.71 0.00 0.00 54.79 53.17 2dda n ASP 159 Cb 0.08 -0.42 0.07 0.00 -0.02 0.00 0.00 41.12 40.83 2dda n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dda h PRO 161 N 2.87 0.00 -0.15 0.00 0.13 -1.76 -1.88 132.00 131.21 2dda h PRO 161 Ca -0.09 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2dda h PRO 161 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2dda h PRO 161 CO 0.18 0.01 -0.24 -1.13 -0.23 0.00 0.00 178.00 176.60 2dda n SER 162 N -3.12 2.25 -2.74 1.44 3.41 -1.26 -4.61 113.62 109.00 2dda n SER 162 Ca 0.00 -3.68 -0.03 0.00 -0.26 0.00 0.00 58.87 54.90 2dda n SER 162 Cb 0.30 -0.56 0.08 0.00 -0.26 0.00 0.00 64.21 63.77 2dda n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dda n ALA 163 N -1.12 2.63 -3.20 7.33 0.00 -0.72 -5.09 120.51 120.34 2dda n ALA 163 Ca 0.24 -2.02 -0.33 0.00 0.00 0.00 0.00 53.44 51.33 2dda n ALA 163 Cb 0.83 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 19.25 2dda n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dda s VAL 165 N 0.50 1.52 -1.06 0.00 1.01 0.20 -4.87 120.40 117.71 2dda s VAL 165 Ca -0.10 -1.60 -0.15 0.00 0.00 0.00 0.00 61.98 60.13 2dda s VAL 165 Cb -0.16 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2dda s VAL 165 CO 0.04 -0.44 0.80 -3.20 0.00 0.00 0.00 175.10 172.30 2dda n ASN 166 N 4.61 -5.83 -1.25 3.32 5.15 -1.26 -2.40 115.26 117.61 2dda n ASN 166 Ca -0.04 -0.86 -0.16 0.00 -0.60 0.00 0.00 54.58 52.92 2dda n ASN 166 Cb 0.43 -3.82 -0.07 0.00 -0.53 0.00 0.00 39.78 35.79 2dda n ASN 166 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2dda n LYS 167 N -3.66 -1.12 -4.16 1.20 5.02 -1.26 -4.89 118.16 109.29 2dda n LYS 167 Ca -0.09 1.05 -0.20 0.00 -2.02 0.00 0.00 58.31 57.05 2dda n LYS 167 Cb 0.59 -5.24 -0.16 0.00 -0.02 0.00 0.00 35.03 30.21 2dda n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dda s LEU 168 N -3.67 1.36 0.39 -0.35 1.43 -1.01 -4.57 118.68 112.27 2dda s LEU 168 Ca 0.00 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 2dda s LEU 168 Cb 0.00 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.71 2dda s LEU 168 CO 0.00 -0.05 1.11 0.00 0.23 0.00 0.00 176.35 177.64 2dda n THR 170 N 0.06 2.00 -2.92 0.00 -2.24 0.76 0.07 114.28 112.01 2dda n THR 170 Ca 0.04 -2.22 -0.24 0.00 -2.27 0.00 0.00 64.05 59.37 2dda n THR 170 Cb 0.48 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 2dda n THR 170 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2dda n ASN 171 N -1.21 3.59 -4.76 3.42 6.94 -1.26 -5.06 115.26 116.93 2dda n ASN 171 Ca 0.18 -3.50 -0.39 0.00 -0.02 0.00 0.00 54.58 50.85 2dda n ASN 171 Cb 0.71 -0.56 0.01 0.00 -2.36 0.00 0.00 39.78 37.58 2dda n ASN 171 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2dda s PRO 172 N -3.25 3.63 -0.01 -0.53 0.04 -1.26 -1.65 135.00 131.97 2dda s PRO 172 Ca 0.46 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 2dda s PRO 172 Cb 0.32 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2dda s PRO 172 CO -0.13 -0.78 1.19 0.00 0.04 0.00 0.00 177.00 177.32 2dda n LYS 174 N 4.65 2.09 -2.78 0.00 5.02 -1.26 -4.89 118.16 121.00 2dda n LYS 174 Ca 0.10 -1.92 -0.29 0.00 -2.02 0.00 0.00 58.31 54.18 2dda n LYS 174 Cb 0.46 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2dda n LYS 174 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2dda s ARG 175 N -1.17 3.64 0.01 1.97 0.52 -1.26 -5.10 118.95 117.57 2dda s ARG 175 Ca 0.27 0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.85 2dda s ARG 175 Cb 0.16 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 2dda s ARG 175 CO 0.22 -0.11 -0.22 -0.80 0.02 0.00 0.00 175.30 174.41 2dda s ASN 176 N -3.65 2.66 0.13 0.23 0.02 -1.26 -4.66 114.94 108.41 2dda s ASN 176 Ca 0.49 -0.47 -0.20 0.00 -1.02 0.00 0.00 52.86 51.66 2dda s ASN 176 Cb -0.10 -0.26 -0.07 0.00 0.02 0.00 0.00 41.25 40.83 2dda s ASN 176 CO 0.38 0.24 0.64 0.20 0.02 0.00 0.00 177.10 178.57 2dda s ASN 177 N -0.85 7.09 0.06 -1.22 0.01 -1.26 -4.32 114.94 114.44 2dda s ASN 177 Ca 0.09 1.34 0.14 0.00 -0.71 0.00 0.00 52.86 53.71 2dda s ASN 177 Cb -0.09 -2.39 -0.15 0.00 0.41 0.00 0.00 41.25 39.03 2dda s ASN 177 CO 0.00 0.19 0.91 0.44 -1.51 0.00 0.00 177.10 177.13 2dda h ASP 178 N 4.12 0.00 -2.74 -1.22 3.32 -1.16 -3.48 116.42 115.26 2dda h ASP 178 Ca -0.49 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.94 2dda h ASP 178 Cb 1.21 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 2dda h ASP 178 CO 0.65 0.77 -0.79 -0.36 -1.72 0.00 0.00 179.24 177.79 2dda s PHE 179 N -2.79 2.26 -0.50 4.55 0.08 -1.26 -5.03 117.98 115.29 2dda s PHE 179 Ca -0.02 -0.36 0.25 0.00 0.12 0.00 0.00 56.93 56.93 2dda s PHE 179 Cb 0.08 -1.05 0.67 0.00 -0.57 0.00 0.00 43.02 42.16 2dda s PHE 179 CO 0.81 0.59 1.72 1.03 -0.10 0.00 0.00 175.22 179.27 2dda h SER 180 N 2.74 0.00 -0.59 1.36 0.87 -1.99 -3.08 113.55 112.86 2dda h SER 180 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2dda h SER 180 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2dda h SER 180 CO 0.54 0.00 0.00 -0.46 -0.53 0.00 0.00 176.83 176.38 2dda n ASN 181 N -2.71 5.24 -0.24 6.23 6.94 -1.26 -4.67 115.26 124.78 2dda n ASN 181 Ca 0.04 -2.73 0.05 0.00 -0.02 0.00 0.00 54.58 51.92 2dda n ASN 181 Cb 0.45 -0.63 0.30 0.00 -2.36 0.00 0.00 39.78 37.53 2dda n ASN 181 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dda h LYS 183 N 0.89 -0.37 0.06 0.00 3.64 -1.88 0.16 116.57 119.07 2dda h LYS 183 Ca 0.35 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2dda h LYS 183 Cb 0.24 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2dda h LYS 183 CO -0.13 -0.25 -0.21 1.03 -2.27 0.00 0.00 179.45 177.62 2dda h SER 184 N -0.39 -0.60 -0.42 4.20 0.87 -1.76 -1.37 113.55 114.08 2dda h SER 184 Ca 0.06 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 2dda h SER 184 Cb 0.47 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 2dda h SER 184 CO -0.22 -0.29 0.04 -0.07 -0.53 0.00 0.00 176.83 175.76 2dda h LEU 185 N -0.37 -0.08 -0.74 2.23 3.38 -0.75 -0.31 115.31 118.66 2dda h LEU 185 Ca 0.04 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2dda h LEU 185 Cb 0.42 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2dda h LEU 185 CO -0.15 -0.01 0.35 0.00 0.09 0.00 0.00 178.44 178.72 2dda h ALA 186 N 1.34 0.95 0.00 1.53 0.00 -0.60 -1.39 119.26 121.10 2dda h ALA 186 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dda h ALA 186 Cb 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dda h ALA 186 CO -0.31 0.53 -0.00 -0.22 0.00 0.00 0.00 179.25 179.25 2dda h LYS 187 N 1.04 -0.01 0.01 0.00 3.64 -0.41 -1.64 116.57 119.21 2dda h LYS 187 Ca 0.25 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.40 2dda h LYS 187 Cb 0.13 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2dda h LYS 187 CO -0.03 0.13 -0.98 1.57 -2.27 0.00 0.00 179.45 177.86 2dda h LYS 188 N -0.13 0.44 0.00 1.90 2.10 -1.06 -3.12 116.57 116.69 2dda h LYS 188 Ca -0.00 -0.49 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2dda h LYS 188 Cb 0.13 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2dda h LYS 188 CO 0.00 1.15 -0.12 -1.13 -2.00 0.00 0.00 179.45 177.35 2dda n SER 189 N -3.74 0.13 -2.63 7.07 3.41 -0.53 -4.90 113.62 112.43 2dda n SER 189 Ca -0.07 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 58.75 2dda n SER 189 Cb 0.86 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2dda n SER 189 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dda n LYS 190 N -1.51 -2.58 -4.10 4.33 5.02 -0.64 -1.34 118.16 117.33 2dda n LYS 190 Ca 0.07 0.42 -0.33 0.00 -2.02 0.00 0.00 58.31 56.45 2dda n LYS 190 Cb 0.34 -5.02 -0.01 0.00 -0.02 0.00 0.00 35.03 30.32 2dda n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dda n GLN 192 N -4.45 0.26 -3.23 0.00 6.02 -0.45 -4.78 117.38 110.74 2dda n GLN 192 Ca -0.02 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.58 2dda n GLN 192 Cb 0.54 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 2dda n GLN 192 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2dda s THR 193 N -3.18 5.13 0.31 5.09 2.01 -1.26 -4.99 115.64 118.75 2dda s THR 193 Ca 0.04 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.14 2dda s THR 193 Cb 0.15 -3.89 0.26 0.00 0.01 0.00 0.00 72.50 69.03 2dda s THR 193 CO 0.80 0.32 1.97 -0.33 -0.69 0.00 0.00 174.62 176.69 2dda h GLU 194 N 6.62 1.02 0.00 4.92 4.39 -2.00 -0.89 114.58 128.64 2dda h GLU 194 Ca -0.41 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 2dda h GLU 194 Cb 1.19 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2dda h GLU 194 CO 0.75 0.69 -0.47 0.11 -1.16 0.00 0.00 179.01 178.93 2dda h TRP 195 N 1.05 0.00 -0.24 4.33 5.08 -1.99 -2.50 115.95 121.68 2dda h TRP 195 Ca 0.28 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 60.06 2dda h TRP 195 Cb -0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.06 2dda h TRP 195 CO 0.00 0.47 -0.60 0.82 -1.28 0.00 0.00 178.44 177.85 2dda h ILE 196 N 0.00 1.28 -0.80 0.12 2.04 -1.60 -1.03 117.51 117.52 2dda h ILE 196 Ca -0.00 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.04 2dda h ILE 196 Cb 1.06 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 2dda h ILE 196 CO 0.06 0.58 0.43 0.11 0.00 0.00 0.00 178.15 179.33 2dda h LYS 197 N 0.61 1.12 -0.03 2.37 1.57 -1.27 0.36 116.57 121.30 2dda h LYS 197 Ca -0.00 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.44 2dda h LYS 197 Cb 1.21 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2dda h LYS 197 CO 0.13 0.83 -0.84 0.87 -0.57 0.00 0.00 179.45 179.87 2dda h LYS 198 N 1.11 0.37 0.00 3.15 1.57 -1.34 -3.15 116.57 118.28 2dda h LYS 198 Ca 0.28 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2dda h LYS 198 Cb 0.05 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2dda h LYS 198 CO -0.04 1.02 -1.27 1.63 -0.57 0.00 0.00 179.45 180.22 2dda n LYS 199 N -3.77 1.19 -2.45 3.15 5.02 -0.40 -4.50 118.16 116.40 2dda n LYS 199 Ca -0.05 -0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 55.94 2dda n LYS 199 Cb 0.78 -1.28 0.01 0.00 -0.02 0.00 0.00 35.03 34.52 2dda n LYS 199 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dda h PRO 201 N 2.58 0.50 0.50 0.00 0.13 -1.67 -0.15 132.00 133.88 2dda h PRO 201 Ca 0.22 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 2dda h PRO 201 Cb 1.10 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2dda h PRO 201 CO 0.73 0.52 -0.24 0.00 -0.23 0.00 0.00 178.00 178.79 2dda h ALA 202 N 1.53 -0.67 -0.51 -0.56 0.00 -1.83 0.04 119.26 117.26 2dda h ALA 202 Ca 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2dda h ALA 202 Cb 0.31 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2dda h ALA 202 CO 0.01 -0.86 0.16 0.77 0.00 0.00 0.00 179.25 179.32 2dda h SER 203 N -0.69 0.70 -0.51 0.00 0.02 -1.85 -1.23 113.55 110.00 2dda h SER 203 Ca -0.07 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 2dda h SER 203 Cb 0.52 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2dda h SER 203 CO 0.11 0.67 -0.16 0.00 -1.14 0.00 0.00 176.83 176.31 2dda n PHE 205 N -4.14 0.00 -1.53 0.00 3.72 -0.01 -4.82 117.46 110.69 2dda n PHE 205 Ca 0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.07 2dda n PHE 205 Cb 0.43 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 2dda n PHE 205 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dda h HIS 207 N 4.29 0.00 -0.31 0.00 3.86 -1.87 -2.88 115.15 118.23 2dda h HIS 207 Ca 0.65 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.69 2dda h HIS 207 Cb 0.53 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.90 2dda h HIS 207 CO 1.72 0.26 -0.16 0.09 0.86 0.00 0.00 177.93 180.70 2dda n ASN 208 N -4.03 2.43 -4.23 2.45 4.13 -1.26 -4.99 115.26 109.76 2dda n ASN 208 Ca -0.02 -3.82 -0.13 0.00 1.68 0.00 0.00 54.58 52.29 2dda n ASN 208 Cb 0.33 -0.62 -0.10 0.00 -1.54 0.00 0.00 39.78 37.85 2dda n ASN 208 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dda s LYS 209 N -3.27 1.02 -0.20 3.52 1.02 -1.09 -5.01 119.74 115.73 2dda s LYS 209 Ca 0.44 -1.44 -0.26 0.00 0.02 0.00 0.00 55.97 54.73 2dda s LYS 209 Cb 0.40 -0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 37.24 2dda s LYS 209 CO -0.02 0.02 0.87 0.42 -0.92 0.00 0.00 175.35 175.72 2dda s ILE 210 N -3.45 4.83 -1.33 2.17 -1.09 -0.66 -4.71 121.20 116.96 2dda s ILE 210 Ca 0.17 1.69 0.11 0.00 -2.23 0.00 0.00 60.65 60.38 2dda s ILE 210 Cb 0.04 -4.16 0.08 0.00 -1.58 0.00 0.00 42.46 36.84 2dda s ILE 210 CO -0.00 -0.04 0.84 -0.38 -1.23 0.00 0.00 174.94 174.12