#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgj h GLN 5 N 0.00 0.34 -0.32 1.61 -0.00 -2.00 -2.82 115.11 111.92 2dgj h GLN 5 Ca 0.00 -0.25 -0.17 0.00 -0.00 0.00 0.00 58.65 58.24 2dgj h GLN 5 Cb 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2dgj h GLN 5 CO 0.00 0.87 -0.46 1.25 -0.00 0.00 0.00 178.83 180.48 2dgj h LEU 6 N 0.24 0.91 -1.24 0.06 7.12 -1.99 -2.43 115.31 118.00 2dgj h LEU 6 Ca -0.01 -0.45 -0.08 0.00 0.13 0.00 0.00 57.88 57.47 2dgj h LEU 6 Cb 1.18 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2dgj h LEU 6 CO 0.11 1.23 -0.37 1.56 -0.13 0.00 0.00 178.44 180.84 2dgj h GLN 7 N 0.67 0.00 -0.11 1.25 1.08 -1.96 -1.66 115.11 114.38 2dgj h GLN 7 Ca 0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2dgj h GLN 7 Cb 1.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2dgj h GLN 7 CO 0.10 0.37 -0.01 1.25 -0.95 0.00 0.00 178.83 179.59 2dgj h HIS 8 N 0.00 0.22 0.00 2.96 -0.00 -1.29 0.25 115.15 117.28 2dgj h HIS 8 Ca -0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 2dgj h HIS 8 Cb 0.70 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 2dgj h HIS 8 CO 0.00 0.47 -0.09 0.78 -0.00 0.00 0.00 177.93 179.09 2dgj h GLY 9 N -0.10 0.00 0.44 5.26 0.00 -1.13 -2.10 103.07 105.43 2dgj h GLY 9 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2dgj h GLY 9 CO 0.01 0.00 -0.55 -2.22 0.00 0.00 0.00 176.54 173.78 2dgj h ILE 10 N 0.00 1.60 0.00 2.60 2.04 -0.94 -3.24 117.51 119.57 2dgj h ILE 10 Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 2dgj h ILE 10 Cb 0.19 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2dgj h ILE 10 CO 0.01 0.68 0.00 0.47 0.00 0.00 0.00 178.15 179.31 2dgj n ASP 11 N -4.29 0.00 -0.42 1.72 8.00 0.83 -2.04 116.55 120.35 2dgj n ASP 11 Ca -0.13 -0.89 0.04 0.00 0.71 0.00 0.00 54.79 54.52 2dgj n ASP 11 Cb 0.71 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.89 2dgj n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dgj n ASP 12 N -0.80 2.38 0.09 -2.24 2.03 -0.81 -4.69 116.55 112.51 2dgj n ASP 12 Ca 0.09 -1.81 -0.13 0.00 0.52 0.00 0.00 54.79 53.46 2dgj n ASP 12 Cb 0.04 -0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.24 2dgj n ASP 12 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2dgj h GLU 13 N 1.51 -0.16 -0.75 -0.67 4.81 -1.47 -2.94 114.58 114.91 2dgj h GLU 13 Ca 0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2dgj h GLU 13 Cb 0.57 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2dgj h GLU 13 CO 0.00 -0.00 0.29 -0.91 -0.73 0.00 0.00 179.01 177.66 2dgj h ASN 14 N -0.29 1.05 0.03 1.04 -0.26 -1.83 0.29 115.58 115.61 2dgj h ASN 14 Ca -0.02 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 2dgj h ASN 14 Cb 0.23 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2dgj h ASN 14 CO 0.03 0.94 0.00 0.00 -1.06 0.00 0.00 177.43 177.34 2dgj n ALA 15 N -2.42 1.97 -0.07 -0.83 0.00 -1.20 -1.54 120.51 116.41 2dgj n ALA 15 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 2dgj n ALA 15 Cb 0.19 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 2dgj n ALA 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dgj n THR 16 N -1.04 0.92 0.83 0.00 -1.04 -0.08 -4.47 114.28 109.40 2dgj n THR 16 Ca 0.10 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.73 2dgj n THR 16 Cb 0.05 -0.78 0.53 0.00 -1.82 0.00 0.00 70.33 68.31 2dgj n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2dgj n LYS 17 N -2.64 0.04 0.06 -2.82 5.02 -0.24 -3.07 118.16 114.52 2dgj n LYS 17 Ca -0.24 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.02 2dgj n LYS 17 Cb 0.89 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 34.21 2dgj n LYS 17 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2dgj h GLN 18 N 0.00 0.15 -7.15 1.97 4.20 -1.69 -3.40 115.11 109.20 2dgj h GLN 18 Ca 0.00 -0.26 -0.55 0.00 0.06 0.00 0.00 58.65 57.90 2dgj h GLN 18 Cb 0.48 0.10 0.17 0.00 0.30 0.00 0.00 27.48 28.53 2dgj h GLN 18 CO 0.00 1.03 0.41 0.25 -0.67 0.00 0.00 178.83 179.85 2dgj n THR 19 N -3.39 3.49 0.15 -0.54 -2.24 -1.17 -4.85 114.28 105.73 2dgj n THR 19 Ca -0.10 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2dgj n THR 19 Cb 1.01 -1.34 0.24 0.00 -2.10 0.00 0.00 70.33 68.14 2dgj n THR 19 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2dgj h GLN 20 N -0.19 0.00 0.00 -0.78 -0.00 -1.90 -2.26 115.11 109.98 2dgj h GLN 20 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.16 2dgj h GLN 20 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.80 2dgj h GLN 20 CO 0.49 0.53 -0.01 -0.22 0.00 0.00 0.00 178.83 179.63 2dgj h LYS 21 N 0.00 0.00 0.00 1.69 3.64 -1.90 -1.62 116.57 118.37 2dgj h LYS 21 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2dgj h LYS 21 Cb 0.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2dgj h LYS 21 CO 0.07 0.01 -0.93 -0.92 -2.27 0.00 0.00 179.45 175.40 2dgj h TYR 22 N 0.00 0.00 -0.90 1.91 3.20 -1.71 0.22 116.97 119.69 2dgj h TYR 22 Ca -0.00 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 2dgj h TYR 22 Cb 0.01 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.19 2dgj h TYR 22 CO 0.00 0.87 0.49 0.00 -1.64 0.00 0.00 178.16 177.88 2dgj h ARG 23 N -1.00 0.66 -0.61 1.82 3.08 -1.31 -1.45 114.38 115.58 2dgj h ARG 23 Ca -0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2dgj h ARG 23 Cb 0.96 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2dgj h ARG 23 CO -0.12 0.44 0.00 -0.25 -1.07 0.00 0.00 179.97 178.96 2dgj n ASP 24 N -4.83 3.24 -4.82 7.04 8.00 -0.62 -4.95 116.55 119.62 2dgj n ASP 24 Ca 0.19 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.38 2dgj n ASP 24 Cb 0.47 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 2dgj n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgj s ALA 25 N -1.19 2.63 0.50 2.24 0.00 -0.55 -4.31 121.76 121.09 2dgj s ALA 25 Ca 0.41 0.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 2dgj s ALA 25 Cb 0.21 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 2dgj s ALA 25 CO 0.28 -1.28 1.37 -1.21 0.00 0.00 0.00 175.76 174.92 2dgj s GLU 26 N -5.04 3.40 0.20 0.00 2.02 -1.26 -4.77 118.70 113.24 2dgj s GLU 26 Ca 0.58 2.28 -0.17 0.00 0.02 0.00 0.00 54.97 57.68 2dgj s GLU 26 Cb -0.14 -2.43 0.17 0.00 0.10 0.00 0.00 34.13 31.83 2dgj s GLU 26 CO 0.55 -1.00 1.61 0.37 0.02 0.00 0.00 175.26 176.80 2dgj h GLN 27 N 1.85 -0.10 -0.78 1.61 4.15 -1.96 0.51 115.11 120.39 2dgj h GLN 27 Ca -0.51 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.01 2dgj h GLN 27 Cb 1.28 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.92 2dgj h GLN 27 CO 0.59 -0.06 0.43 0.66 -1.93 0.00 0.00 178.83 178.51 2dgj h SER 28 N -0.10 0.60 -0.69 -0.69 4.64 -1.99 -0.74 113.55 114.57 2dgj h SER 28 Ca 0.26 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 2dgj h SER 28 Cb 0.51 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2dgj h SER 28 CO -0.65 0.34 0.22 0.11 -0.87 0.00 0.00 176.83 175.98 2dgj h LYS 29 N 0.72 1.08 0.06 4.77 1.79 -1.31 -0.99 116.57 122.69 2dgj h LYS 29 Ca 0.38 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2dgj h LYS 29 Cb 0.36 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2dgj h LYS 29 CO -0.25 0.92 -0.03 0.87 -1.08 0.00 0.00 179.45 179.88 2dgj h LYS 30 N 1.04 -0.07 -0.82 3.15 1.57 -0.09 -2.68 116.57 118.66 2dgj h LYS 30 Ca 0.23 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2dgj h LYS 30 Cb 0.29 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2dgj h LYS 30 CO -0.01 0.28 0.37 1.79 -0.57 0.00 0.00 179.45 181.31 2dgj h THR 31 N -0.44 1.26 -0.75 -0.16 1.35 -1.14 -0.90 112.91 112.12 2dgj h THR 31 Ca -0.01 -0.77 0.09 0.00 -0.55 0.00 0.00 66.41 65.17 2dgj h THR 31 Cb 0.39 0.24 -0.05 0.00 -1.73 0.00 0.00 68.15 67.00 2dgj h THR 31 CO 0.01 0.32 0.49 0.00 -0.25 0.00 0.00 175.52 176.10 2dgj h ALA 32 N 1.20 1.77 -0.03 6.62 0.00 -1.17 0.66 119.26 128.31 2dgj h ALA 32 Ca 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2dgj h ALA 32 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dgj h ALA 32 CO -0.03 0.08 -0.16 -0.92 0.00 0.00 0.00 179.25 178.22 2dgj h TYR 33 N 0.70 0.21 -0.42 0.00 3.20 -0.97 -2.42 116.97 117.27 2dgj h TYR 33 Ca 0.34 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.15 2dgj h TYR 33 Cb 0.40 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2dgj h TYR 33 CO -0.00 0.81 0.20 -0.44 -1.64 0.00 0.00 178.16 177.09 2dgj h ASP 34 N -0.45 0.28 0.12 -2.11 3.32 -0.58 -1.78 116.42 115.22 2dgj h ASP 34 Ca -0.01 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2dgj h ASP 34 Cb 0.83 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2dgj h ASP 34 CO 0.03 0.21 -0.22 1.56 -1.72 0.00 0.00 179.24 179.10 2dgj h GLN 35 N 0.41 0.18 -0.49 3.56 1.08 -0.97 -0.60 115.11 118.29 2dgj h GLN 35 Ca 0.18 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 2dgj h GLN 35 Cb 0.10 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2dgj h GLN 35 CO -0.14 0.40 0.05 0.00 -0.95 0.00 0.00 178.83 178.20 2dgj h ALA 36 N 1.61 1.18 -0.11 3.87 0.00 -0.82 -0.50 119.26 124.49 2dgj h ALA 36 Ca 0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2dgj h ALA 36 Cb 0.49 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2dgj h ALA 36 CO 0.03 0.54 -0.61 0.28 0.00 0.00 0.00 179.25 179.50 2dgj h VAL 37 N 0.74 1.34 -0.57 0.00 2.07 -0.72 -1.72 116.25 117.39 2dgj h VAL 37 Ca 0.15 -1.90 0.04 0.00 0.82 0.00 0.00 66.70 65.82 2dgj h VAL 37 Cb 0.37 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 2dgj h VAL 37 CO 0.01 0.58 0.31 0.00 0.02 0.00 0.00 177.57 178.49 2dgj h ALA 38 N 0.49 0.74 -0.48 1.67 0.00 -0.83 -1.51 119.26 119.34 2dgj h ALA 38 Ca -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2dgj h ALA 38 Cb 1.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2dgj h ALA 38 CO 0.13 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.51 2dgj h ALA 39 N 1.29 0.63 -0.77 0.00 0.00 -1.09 -2.76 119.26 116.55 2dgj h ALA 39 Ca 0.25 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2dgj h ALA 39 Cb 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 2dgj h ALA 39 CO -0.15 0.28 0.41 0.00 0.00 0.00 0.00 179.25 179.79 2dgj h ALA 40 N 1.00 1.09 0.10 0.00 0.00 -0.48 0.45 119.26 121.42 2dgj h ALA 40 Ca 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2dgj h ALA 40 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dgj h ALA 40 CO -0.00 -0.00 -0.05 0.87 0.00 0.00 0.00 179.25 180.06 2dgj h LYS 41 N 0.67 -0.13 -0.56 0.00 1.57 -1.13 -1.57 116.57 115.42 2dgj h LYS 41 Ca 0.38 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2dgj h LYS 41 Cb 0.41 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2dgj h LYS 41 CO -0.28 0.04 0.33 0.00 -0.57 0.00 0.00 179.45 178.98 2dgj h ALA 42 N 0.60 0.71 0.00 3.86 0.00 -1.12 -0.89 119.26 122.42 2dgj h ALA 42 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2dgj h ALA 42 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dgj h ALA 42 CO 0.02 0.20 -0.06 0.82 0.00 0.00 0.00 179.25 180.23 2dgj h ILE 43 N 0.75 0.77 0.03 0.00 2.04 -0.05 -1.20 117.51 119.85 2dgj h ILE 43 Ca 0.20 -0.24 -0.25 0.00 1.00 0.00 0.00 64.86 65.57 2dgj h ILE 43 Cb -0.00 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2dgj h ILE 43 CO -0.04 0.06 -1.05 0.25 0.00 0.00 0.00 178.15 177.38 2dgj h LEU 44 N 0.00 0.69 -1.55 1.44 5.85 -0.23 -3.26 115.31 118.25 2dgj h LEU 44 Ca -0.00 -0.58 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 2dgj h LEU 44 Cb 0.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2dgj h LEU 44 CO 0.01 1.39 -0.22 -1.13 -0.34 0.00 0.00 178.44 178.14 2dgj h ASN 45 N 0.27 0.00 -0.01 1.25 -1.24 0.01 -2.79 115.58 113.08 2dgj h ASN 45 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2dgj h ASN 45 Cb 1.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.75 2dgj h ASN 45 CO 0.19 0.22 0.00 2.29 -1.29 0.00 0.00 177.43 178.84 2dgj n LYS 46 N -3.78 1.21 -2.84 6.67 2.85 -0.91 -4.90 118.16 116.47 2dgj n LYS 46 Ca -0.02 -0.30 -0.33 0.00 -1.05 0.00 0.00 58.31 56.61 2dgj n LYS 46 Cb 0.33 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.16 2dgj n LYS 46 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2dgj s GLN 47 N -2.00 4.23 0.00 -1.58 1.11 -1.05 -5.10 119.66 115.27 2dgj s GLN 47 Ca 0.44 1.10 0.00 0.00 0.01 0.00 0.00 55.36 56.91 2dgj s GLN 47 Cb 0.21 -2.21 0.00 0.00 -1.01 0.00 0.00 33.01 30.00 2dgj s GLN 47 CO 0.35 -0.01 0.00 0.25 0.01 0.00 0.00 175.29 175.89 2dgj n THR 48 N -0.58 0.00 -3.46 -0.19 -2.24 -1.26 -5.11 114.28 101.43 2dgj n THR 48 Ca 0.07 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 2dgj n THR 48 Cb 0.54 -0.33 0.09 0.00 -2.10 0.00 0.00 70.33 68.53 2dgj n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dgj n ASP 53 N -2.13 -2.76 0.30 3.42 4.64 -1.26 -5.26 116.55 113.50 2dgj n ASP 53 Ca 0.00 -0.61 0.18 0.00 -1.38 0.00 0.00 54.79 52.98 2dgj n ASP 53 Cb 0.32 -5.11 0.91 0.00 -1.04 0.00 0.00 41.12 36.20 2dgj n ASP 53 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 2dgj h LYS 54 N -2.04 0.00 -0.48 -0.67 2.10 -2.01 -1.63 116.57 111.84 2dgj h LYS 54 Ca -0.59 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.01 2dgj h LYS 54 Cb 1.35 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.66 2dgj h LYS 54 CO 0.51 0.03 0.08 0.00 -2.00 0.00 0.00 179.45 178.07 2dgj h ALA 55 N 1.97 0.64 0.00 0.07 0.00 -2.04 -1.35 119.26 118.54 2dgj h ALA 55 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dgj h ALA 55 Cb 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dgj h ALA 55 CO 0.00 0.38 -0.00 0.00 0.00 0.00 0.00 179.25 179.63 2dgj h ALA 56 N 0.96 1.50 0.00 0.00 0.00 -1.72 0.48 119.26 120.48 2dgj h ALA 56 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dgj h ALA 56 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dgj h ALA 56 CO 0.01 0.01 -0.27 0.28 0.00 0.00 0.00 179.25 179.27 2dgj h VAL 57 N 0.00 0.48 0.00 0.00 2.07 -1.22 -2.11 116.25 115.47 2dgj h VAL 57 Ca -0.00 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 2dgj h VAL 57 Cb 0.01 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2dgj h VAL 57 CO 0.00 0.27 -0.42 0.44 0.02 0.00 0.00 177.57 177.88 2dgj h ASP 58 N 0.00 0.00 -0.91 0.57 3.32 0.38 -2.88 116.42 116.90 2dgj h ASP 58 Ca -0.00 -0.83 0.18 0.00 0.02 0.00 0.00 57.03 56.40 2dgj h ASP 58 Cb 1.18 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.63 2dgj h ASP 58 CO 0.04 1.16 0.48 -0.09 -1.72 0.00 0.00 179.24 179.10 2dgj h ARG 59 N -1.00 0.60 -0.43 3.56 9.65 -0.38 0.39 114.38 126.76 2dgj h ARG 59 Ca -0.11 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.61 2dgj h ARG 59 Cb 1.09 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 2dgj h ARG 59 CO -0.07 0.39 -0.22 0.00 2.80 0.00 0.00 179.97 182.88 2dgj h ALA 60 N 1.62 0.79 0.02 2.80 0.00 -1.49 -2.22 119.26 120.78 2dgj h ALA 60 Ca 0.52 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dgj h ALA 60 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dgj h ALA 60 CO -0.41 0.65 -0.01 1.25 0.00 0.00 0.00 179.25 180.74 2dgj h LEU 61 N 0.76 -0.03 -1.34 0.00 5.85 -0.26 -2.10 115.31 118.20 2dgj h LEU 61 Ca 0.10 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.89 2dgj h LEU 61 Cb 0.76 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 2dgj h LEU 61 CO 0.06 0.04 0.55 -0.61 -0.34 0.00 0.00 178.44 178.15 2dgj h GLN 62 N -0.09 0.66 -0.10 1.25 4.15 -0.30 -1.50 115.11 119.18 2dgj h GLN 62 Ca -0.00 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.17 2dgj h GLN 62 Cb 0.08 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2dgj h GLN 62 CO 0.00 0.44 -0.77 0.37 -1.93 0.00 0.00 178.83 176.94 2dgj h GLN 63 N 0.68 0.56 -0.41 1.69 5.75 -1.03 0.15 115.11 122.49 2dgj h GLN 63 Ca 0.41 -0.46 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 2dgj h GLN 63 Cb 0.64 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 2dgj h GLN 63 CO -0.17 1.09 -0.28 0.28 -2.65 0.00 0.00 178.83 177.09 2dgj h VAL 64 N 0.38 1.27 -0.08 2.39 2.07 -0.74 -1.10 116.25 120.43 2dgj h VAL 64 Ca -0.04 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 2dgj h VAL 64 Cb 1.37 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2dgj h VAL 64 CO 0.14 0.49 -0.17 0.74 0.02 0.00 0.00 177.57 178.79 2dgj h THR 65 N 0.75 1.40 0.06 2.57 2.02 -1.27 -2.19 112.91 116.25 2dgj h THR 65 Ca 0.09 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 2dgj h THR 65 Cb 0.84 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2dgj h THR 65 CO 0.07 0.42 -0.03 -1.28 0.37 0.00 0.00 175.52 175.07 2dgj h SER 66 N -0.21 -0.07 -0.81 4.18 0.87 -0.68 -1.07 113.55 115.76 2dgj h SER 66 Ca 0.00 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2dgj h SER 66 Cb 0.76 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 2dgj h SER 66 CO 0.04 -0.01 0.37 0.71 -0.53 0.00 0.00 176.83 177.41 2dgj h THR 67 N -0.12 1.26 -0.10 2.23 1.35 -1.29 -1.55 112.91 114.68 2dgj h THR 67 Ca -0.01 -0.75 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2dgj h THR 67 Cb 0.09 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 66.74 2dgj h THR 67 CO 0.01 0.32 0.05 0.50 -0.25 0.00 0.00 175.52 176.15 2dgj h LYS 68 N 1.17 0.15 0.00 4.72 3.64 -1.18 -2.01 116.57 123.06 2dgj h LYS 68 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2dgj h LYS 68 Cb 0.15 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2dgj h LYS 68 CO -0.03 0.19 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.82 2dgj h ASP 69 N 0.06 0.00 1.17 4.20 3.32 -1.00 -1.67 116.42 122.50 2dgj h ASP 69 Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2dgj h ASP 69 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2dgj h ASP 69 CO -0.01 0.08 -0.15 0.00 -1.72 0.00 0.00 179.24 177.44 2dgj h ALA 70 N 1.92 0.98 -1.79 3.45 0.00 -0.54 -3.44 119.26 119.84 2dgj h ALA 70 Ca -0.00 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 54.09 2dgj h ALA 70 Cb 0.30 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dgj h ALA 70 CO 0.01 0.19 0.81 1.28 0.00 0.00 0.00 179.25 181.54 2dgj n LEU 71 N -3.25 2.52 -2.00 0.00 4.32 -0.63 -4.88 117.00 113.09 2dgj n LEU 71 Ca 0.01 1.07 -0.23 0.00 -0.02 0.00 0.00 56.01 56.84 2dgj n LEU 71 Cb 0.44 -1.24 0.03 0.00 -1.62 0.00 0.00 43.42 41.02 2dgj n LEU 71 CO 0.32 -0.49 0.18 -0.46 -1.22 0.00 0.00 177.39 175.72 2dgj n ASN 72 N 4.61 4.78 0.15 -1.43 6.94 -1.25 -4.75 115.26 124.32 2dgj n ASN 72 Ca 0.22 -3.72 0.02 0.00 -0.02 0.00 0.00 54.58 51.08 2dgj n ASN 72 Cb 0.20 -0.35 0.36 0.00 -2.36 0.00 0.00 39.78 37.64 2dgj n ASN 72 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2dgj h GLY 73 N 2.16 0.14 1.51 4.83 0.00 -0.74 -2.17 103.07 108.79 2dgj h GLY 73 Ca 0.35 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 2dgj h GLY 73 CO 0.73 0.09 -0.21 1.29 0.00 0.00 0.00 176.54 178.44 2dgj h ASP 74 N 0.12 0.58 0.56 0.19 2.03 -1.79 -1.72 116.42 116.38 2dgj h ASP 74 Ca 0.02 -0.19 -0.20 0.00 -0.73 0.00 0.00 57.03 55.93 2dgj h ASP 74 Cb 0.55 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2dgj h ASP 74 CO 0.04 0.79 -0.87 0.00 -1.03 0.00 0.00 179.24 178.17 2dgj h ALA 75 N 1.26 0.53 -0.65 4.15 0.00 -1.85 -2.56 119.26 120.14 2dgj h ALA 75 Ca 0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 2dgj h ALA 75 Cb 0.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2dgj h ALA 75 CO 0.05 0.90 0.15 0.87 0.00 0.00 0.00 179.25 181.22 2dgj h LYS 76 N 0.12 1.03 0.02 0.00 1.79 -1.12 -0.44 116.57 117.97 2dgj h LYS 76 Ca -0.04 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2dgj h LYS 76 Cb 1.49 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2dgj h LYS 76 CO 0.13 0.92 -0.01 1.25 -1.08 0.00 0.00 179.45 180.66 2dgj h LEU 77 N 0.98 -0.03 -1.40 2.94 5.85 -1.24 -0.64 115.31 121.78 2dgj h LEU 77 Ca 0.21 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2dgj h LEU 77 Cb 0.36 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2dgj h LEU 77 CO 0.00 0.23 0.47 0.00 -0.34 0.00 0.00 178.44 178.81 2dgj h ALA 78 N 0.68 1.74 -0.12 1.25 0.00 -1.25 -0.03 119.26 121.53 2dgj h ALA 78 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2dgj h ALA 78 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dgj h ALA 78 CO 0.01 0.13 -0.03 0.93 0.00 0.00 0.00 179.25 180.29 2dgj h GLU 79 N 0.71 0.23 -0.91 0.00 5.08 -0.78 -1.91 114.58 117.00 2dgj h GLU 79 Ca 0.31 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2dgj h GLU 79 Cb 0.31 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2dgj h GLU 79 CO -0.11 0.53 0.60 0.00 -1.00 0.00 0.00 179.01 179.04 2dgj h ALA 80 N 0.70 1.38 -0.20 3.43 0.00 -0.23 -1.14 119.26 123.19 2dgj h ALA 80 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dgj h ALA 80 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dgj h ALA 80 CO 0.01 0.56 0.08 0.87 0.00 0.00 0.00 179.25 180.77 2dgj h LYS 81 N 1.20 0.31 -0.46 0.00 1.57 -0.92 0.78 116.57 119.05 2dgj h LYS 81 Ca 0.35 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2dgj h LYS 81 Cb -0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2dgj h LYS 81 CO -0.09 0.38 0.27 0.00 -0.57 0.00 0.00 179.45 179.44 2dgj h ALA 82 N 0.92 0.58 -0.14 3.86 0.00 -0.93 -0.34 119.26 123.21 2dgj h ALA 82 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dgj h ALA 82 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2dgj h ALA 82 CO -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 179.25 179.30 2dgj h ALA 83 N 1.20 0.18 -0.66 0.00 0.00 -1.02 -0.29 119.26 118.67 2dgj h ALA 83 Ca 0.18 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2dgj h ALA 83 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2dgj h ALA 83 CO -0.08 -0.32 0.36 0.00 0.00 0.00 0.00 179.25 179.21 2dgj h ALA 84 N 1.03 0.88 -0.50 0.00 0.00 -0.44 0.57 119.26 120.79 2dgj h ALA 84 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2dgj h ALA 84 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2dgj h ALA 84 CO -0.01 0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.17 2dgj h ARG 85 N 0.68 0.94 -0.44 0.00 3.08 -0.80 0.14 114.38 117.97 2dgj h ARG 85 Ca 0.29 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2dgj h ARG 85 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2dgj h ARG 85 CO -0.18 1.00 0.19 0.37 -1.07 0.00 0.00 179.97 180.28 2dgj h GLN 86 N 0.84 0.65 -0.40 0.04 4.15 -0.40 -2.18 115.11 117.80 2dgj h GLN 86 Ca 0.13 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 2dgj h GLN 86 Cb 0.65 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2dgj h GLN 86 CO 0.05 0.58 -0.16 -0.97 -1.93 0.00 0.00 178.83 176.40 2dgj h ASN 87 N 0.57 0.73 -0.91 -0.69 -1.24 -0.71 -2.98 115.58 110.36 2dgj h ASN 87 Ca 0.15 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 2dgj h ASN 87 Cb 0.16 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 38.97 2dgj h ASN 87 CO -0.01 0.90 0.54 0.25 -1.29 0.00 0.00 177.43 177.82 2dgj h LEU 88 N 0.66 1.09 0.00 0.34 5.85 -0.63 -1.84 115.31 120.78 2dgj h LEU 88 Ca 0.10 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2dgj h LEU 88 Cb 0.64 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2dgj h LEU 88 CO 0.04 0.84 0.00 0.61 -0.34 0.00 0.00 178.44 179.60 2dgj n GLY 89 N -1.22 -0.66 0.18 3.75 0.00 -0.85 -2.19 105.19 104.19 2dgj n GLY 89 Ca 0.10 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2dgj n GLY 89 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dgj n THR 90 N -1.20 0.00 -2.78 2.61 -2.24 -0.69 -4.92 114.28 105.06 2dgj n THR 90 Ca 0.08 -0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 2dgj n THR 90 Cb 0.09 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.34 2dgj n THR 90 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dgj s LEU 91 N -2.81 4.55 0.00 3.22 2.01 -0.93 -4.96 118.68 119.76 2dgj s LEU 91 Ca 0.12 1.80 0.03 0.00 0.01 0.00 0.00 54.13 56.09 2dgj s LEU 91 Cb 0.17 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.88 2dgj s LEU 91 CO 0.76 0.04 0.76 0.59 1.01 0.00 0.00 176.35 179.51 2dgj n ASN 92 N 2.26 1.62 -0.01 2.29 3.02 -1.26 -4.75 115.26 118.42 2dgj n ASN 92 Ca -0.00 -1.43 0.02 0.00 -0.03 0.00 0.00 54.58 53.14 2dgj n ASN 92 Cb 0.48 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.61 2dgj n ASN 92 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dgj n HIS 93 N 0.06 0.00 -2.46 3.10 8.25 -1.26 -5.01 115.22 117.90 2dgj n HIS 93 Ca 0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2dgj n HIS 93 Cb 0.16 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2dgj n HIS 93 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2dgj s ILE 94 N -1.39 4.30 0.65 1.59 -4.36 -1.26 -4.83 121.20 115.89 2dgj s ILE 94 Ca 0.02 1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 61.51 2dgj s ILE 94 Cb 0.04 -3.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.12 2dgj s ILE 94 CO 0.19 -0.52 1.05 0.42 0.24 0.00 0.00 174.94 176.32 2dgj s THR 95 N -2.42 4.36 0.50 8.37 -4.23 -1.26 -4.80 115.64 116.16 2dgj s THR 95 Ca 0.61 0.77 0.17 0.00 -1.18 0.00 0.00 61.69 62.06 2dgj s THR 95 Cb -0.11 -3.73 0.31 0.00 1.34 0.00 0.00 72.50 70.31 2dgj s THR 95 CO 0.26 -1.00 2.08 0.78 -0.54 0.00 0.00 174.62 176.20 2dgj h ASN 96 N -0.45 0.09 -0.28 3.99 2.35 -1.05 0.16 115.58 120.40 2dgj h ASN 96 Ca -0.44 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.24 2dgj h ASN 96 Cb 1.21 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 2dgj h ASN 96 CO 0.62 0.06 -0.07 0.00 -1.65 0.00 0.00 177.43 176.39 2dgj h ALA 97 N 1.87 0.39 -0.30 -0.83 0.00 -1.79 -1.15 119.26 117.44 2dgj h ALA 97 Ca 0.11 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2dgj h ALA 97 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2dgj h ALA 97 CO -0.01 0.20 -0.12 1.96 0.00 0.00 0.00 179.25 181.28 2dgj h GLN 98 N 0.30 0.61 -0.45 0.00 4.20 -1.34 -1.67 115.11 116.77 2dgj h GLN 98 Ca 0.07 -0.26 0.05 0.00 0.06 0.00 0.00 58.65 58.57 2dgj h GLN 98 Cb 0.55 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 2dgj h GLN 98 CO 0.03 0.83 0.18 -0.09 -0.67 0.00 0.00 178.83 179.11 2dgj h ARG 99 N 0.37 0.36 -0.82 1.46 2.43 -0.71 0.22 114.38 117.69 2dgj h ARG 99 Ca 0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2dgj h ARG 99 Cb 0.63 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2dgj h ARG 99 CO 0.04 0.24 0.49 1.15 -1.51 0.00 0.00 179.97 180.38 2dgj h THR 100 N 0.37 1.23 -0.43 0.20 2.02 -1.10 -0.26 112.91 114.93 2dgj h THR 100 Ca 0.21 -0.50 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 2dgj h THR 100 Cb 0.17 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2dgj h THR 100 CO -0.19 0.24 -0.18 0.00 0.37 0.00 0.00 175.52 175.76 2dgj h ALA 101 N 1.27 0.86 -0.43 6.16 0.00 -0.48 -2.21 119.26 124.42 2dgj h ALA 101 Ca 0.29 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2dgj h ALA 101 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dgj h ALA 101 CO -0.06 0.64 0.06 -0.07 0.00 0.00 0.00 179.25 179.82 2dgj h LEU 102 N 0.74 0.70 -0.90 0.00 -0.00 -0.05 -1.85 115.31 113.95 2dgj h LEU 102 Ca 0.11 -0.27 0.03 0.00 -0.00 0.00 0.00 57.88 57.75 2dgj h LEU 102 Cb 0.70 -0.19 -0.05 0.00 -0.00 0.00 0.00 40.66 41.13 2dgj h LEU 102 CO 0.05 0.79 0.59 -0.33 -0.00 0.00 0.00 178.44 179.54 2dgj h GLU 103 N 0.58 1.12 -0.83 1.13 5.08 -0.92 -0.85 114.58 119.89 2dgj h GLU 103 Ca 0.13 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2dgj h GLU 103 Cb 0.40 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2dgj h GLU 103 CO 0.01 0.74 0.38 0.78 -1.00 0.00 0.00 179.01 179.92 2dgj h GLY 104 N 1.15 1.29 1.24 -3.84 0.00 -1.12 -1.87 103.07 99.93 2dgj h GLY 104 Ca 0.35 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2dgj h GLY 104 CO -0.11 0.62 0.13 1.46 0.00 0.00 0.00 176.54 178.65 2dgj h GLN 105 N 1.19 0.95 -0.65 4.80 4.20 -0.42 -1.19 115.11 123.99 2dgj h GLN 105 Ca 0.28 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2dgj h GLN 105 Cb 0.14 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2dgj h GLN 105 CO -0.03 0.85 0.16 0.82 -0.67 0.00 0.00 178.83 179.96 2dgj h ILE 106 N 0.90 1.25 -0.36 2.54 2.04 -0.74 -1.64 117.51 121.50 2dgj h ILE 106 Ca 0.19 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.99 2dgj h ILE 106 Cb 0.34 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2dgj h ILE 106 CO 0.00 0.35 -0.36 0.78 0.00 0.00 0.00 178.15 178.92 2dgj h ASN 107 N 0.97 0.89 1.56 1.72 2.35 -0.87 -3.15 115.58 119.05 2dgj h ASN 107 Ca 0.21 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 2dgj h ASN 107 Cb 0.34 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2dgj h ASN 107 CO 0.00 1.15 -0.11 1.56 -1.65 0.00 0.00 177.43 178.38 2dgj h GLN 108 N 0.70 0.00 -6.72 0.81 4.20 -1.02 -3.46 115.11 109.62 2dgj h GLN 108 Ca 0.07 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.20 2dgj h GLN 108 Cb 0.92 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.86 2dgj h GLN 108 CO 0.08 0.11 0.03 0.00 -0.67 0.00 0.00 178.83 178.39 2dgj n ALA 109 N -2.13 -0.08 -0.03 3.87 0.00 -0.64 -4.93 120.51 116.57 2dgj n ALA 109 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2dgj n ALA 109 Cb 0.50 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2dgj n ALA 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dgj n THR 110 N -1.39 0.00 -4.21 0.00 -2.24 -1.26 -5.00 114.28 100.18 2dgj n THR 110 Ca 0.12 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2dgj n THR 110 Cb 0.45 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 2dgj n THR 110 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2dgj s THR 111 N -0.68 1.00 0.20 4.28 -4.23 -1.26 -4.98 115.64 109.98 2dgj s THR 111 Ca 0.00 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 2dgj s THR 111 Cb 0.00 -1.69 0.14 0.00 1.34 0.00 0.00 72.50 72.28 2dgj s THR 111 CO 0.00 -0.73 1.85 0.58 -0.54 0.00 0.00 174.62 175.78 2dgj h VAL 112 N 3.01 1.20 -0.11 2.29 2.07 -1.92 -1.51 116.25 121.27 2dgj h VAL 112 Ca -0.36 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 2dgj h VAL 112 Cb 1.18 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2dgj h VAL 112 CO 0.61 0.20 -0.27 0.44 0.02 0.00 0.00 177.57 178.57 2dgj h ASP 113 N 0.97 0.20 -0.62 0.57 3.32 -1.99 -1.70 116.42 117.18 2dgj h ASP 113 Ca 0.26 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 2dgj h ASP 113 Cb -0.06 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2dgj h ASP 113 CO -0.05 0.47 0.09 1.23 -1.72 0.00 0.00 179.24 179.26 2dgj h GLY 114 N 0.97 1.11 0.82 2.75 0.00 -1.73 -1.35 103.07 105.65 2dgj h GLY 114 Ca 0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2dgj h GLY 114 CO 0.04 0.70 -0.00 -2.08 0.00 0.00 0.00 176.54 175.19 2dgj h VAL 115 N 0.94 1.26 -0.13 4.60 2.07 -0.86 -2.85 116.25 121.28 2dgj h VAL 115 Ca 0.19 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2dgj h VAL 115 Cb 0.45 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2dgj h VAL 115 CO 0.01 0.27 -0.02 0.78 0.02 0.00 0.00 177.57 178.63 2dgj h ASN 116 N 0.13 0.17 -0.31 0.57 -0.26 -1.22 -1.24 115.58 113.42 2dgj h ASN 116 Ca 0.06 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 2dgj h ASN 116 Cb 0.41 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 2dgj h ASN 116 CO 0.01 0.24 -0.13 0.74 -1.06 0.00 0.00 177.43 177.23 2dgj h THR 117 N 0.19 1.26 -0.40 2.81 2.02 -1.09 -0.24 112.91 117.45 2dgj h THR 117 Ca 0.05 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 2dgj h THR 117 Cb 0.18 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2dgj h THR 117 CO 0.01 0.40 0.04 0.58 0.37 0.00 0.00 175.52 176.91 2dgj h VAL 118 N 0.67 1.25 -0.67 3.16 2.07 -1.03 -0.04 116.25 121.67 2dgj h VAL 118 Ca 0.11 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2dgj h VAL 118 Cb 0.61 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2dgj h VAL 118 CO 0.04 0.32 0.39 0.50 0.02 0.00 0.00 177.57 178.84 2dgj h LYS 119 N 0.52 0.91 -0.23 1.57 3.64 -1.05 0.15 116.57 122.08 2dgj h LYS 119 Ca 0.12 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2dgj h LYS 119 Cb 0.42 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2dgj h LYS 119 CO 0.01 0.66 0.10 1.15 -2.27 0.00 0.00 179.45 179.11 2dgj h THR 120 N 0.91 1.15 -0.84 1.00 2.02 -0.81 -1.95 112.91 114.40 2dgj h THR 120 Ca 0.24 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2dgj h THR 120 Cb -0.01 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2dgj h THR 120 CO -0.04 0.15 0.39 0.78 0.37 0.00 0.00 175.52 177.17 2dgj h ASN 121 N 0.22 1.11 -0.62 4.18 4.21 -0.67 -1.59 115.58 122.43 2dgj h ASN 121 Ca 0.08 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2dgj h ASN 121 Cb 0.15 -0.29 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 2dgj h ASN 121 CO -0.01 0.95 0.40 0.00 -1.29 0.00 0.00 177.43 177.48 2dgj h ALA 122 N 1.21 0.79 -0.34 -0.83 0.00 -0.49 0.06 119.26 119.66 2dgj h ALA 122 Ca 0.29 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2dgj h ALA 122 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2dgj h ALA 122 CO -0.03 0.23 -0.28 -0.91 0.00 0.00 0.00 179.25 178.26 2dgj h ASN 123 N 0.84 0.83 0.34 0.00 2.35 -1.08 -1.82 115.58 117.05 2dgj h ASN 123 Ca 0.23 -0.45 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 2dgj h ASN 123 Cb -0.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 2dgj h ASN 123 CO -0.05 1.11 -0.41 0.71 -1.65 0.00 0.00 177.43 177.14 2dgj h THR 124 N 0.56 1.30 -0.03 2.81 1.35 -1.11 -1.35 112.91 116.44 2dgj h THR 124 Ca 0.06 -1.45 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 2dgj h THR 124 Cb 0.85 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2dgj h THR 124 CO 0.07 0.42 -0.01 0.25 -0.25 0.00 0.00 175.52 176.00 2dgj h LEU 125 N 0.08 0.07 -1.52 3.87 5.85 -0.87 -1.26 115.31 121.53 2dgj h LEU 125 Ca 0.01 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.43 2dgj h LEU 125 Cb 0.76 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2dgj h LEU 125 CO 0.06 0.45 0.45 -0.78 -0.34 0.00 0.00 178.44 178.28 2dgj h ASP 126 N -0.31 0.48 -0.08 1.25 1.82 -1.14 -1.90 116.42 116.54 2dgj h ASP 126 Ca 0.01 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2dgj h ASP 126 Cb 0.42 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 2dgj h ASP 126 CO 0.00 0.29 -0.04 1.23 -1.61 0.00 0.00 179.24 179.11 2dgj h GLY 127 N 0.54 0.19 -1.74 -0.78 0.00 -0.95 -1.54 103.07 98.79 2dgj h GLY 127 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2dgj h GLY 127 CO -0.10 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2dgj n ALA 128 N -2.35 1.21 0.00 3.60 0.00 -0.50 -1.14 120.51 121.33 2dgj n ALA 128 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2dgj n ALA 128 Cb 0.27 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2dgj n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2dgj n ASN 130 N 0.79 0.00 -0.11 0.00 5.15 -0.58 -0.71 115.26 119.79 2dgj n ASN 130 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 2dgj n ASN 130 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2dgj n ASN 130 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2dgj h SER 131 N 0.00 0.96 -0.83 1.20 0.02 -1.41 -1.72 113.55 111.78 2dgj h SER 131 Ca 0.00 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2dgj h SER 131 Cb 0.00 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 2dgj h SER 131 CO 0.00 1.21 0.36 0.25 -1.14 0.00 0.00 176.83 177.51 2dgj h LEU 132 N 0.75 1.11 -0.25 5.07 5.85 -1.18 -1.78 115.31 124.88 2dgj h LEU 132 Ca 0.07 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2dgj h LEU 132 Cb 0.93 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2dgj h LEU 132 CO 0.09 0.96 0.11 -0.61 -0.34 0.00 0.00 178.44 178.65 2dgj h GLN 133 N 1.19 0.37 0.00 1.25 5.75 -1.78 -2.02 115.11 119.87 2dgj h GLN 133 Ca 0.28 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2dgj h GLN 133 Cb 0.17 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2dgj h GLN 133 CO -0.03 0.39 0.00 0.78 -2.65 0.00 0.00 178.83 177.32 2dgj h GLY 134 N 0.27 0.00 2.00 2.39 0.00 -0.88 -1.68 103.07 105.17 2dgj h GLY 134 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2dgj h GLY 134 CO -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.24 2dgj h ALA 135 N 2.01 0.87 -0.26 3.60 0.00 -0.56 -3.28 119.26 121.64 2dgj h ALA 135 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dgj h ALA 135 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dgj h ALA 135 CO 0.00 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.05 2dgj n ILE 136 N -3.25 0.90 0.07 0.00 -5.35 -0.65 -4.64 119.36 106.44 2dgj n ILE 136 Ca 0.02 -0.95 0.06 0.00 -0.27 0.00 0.00 62.75 61.61 2dgj n ILE 136 Cb 0.58 0.57 0.50 0.00 -1.74 0.00 0.00 39.64 39.55 2dgj n ILE 136 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2dgj h ASN 137 N 1.68 0.32 -0.79 7.28 -0.26 -1.56 -1.93 115.58 120.31 2dgj h ASN 137 Ca 0.00 -0.01 -0.43 0.00 -0.56 0.00 0.00 56.30 55.31 2dgj h ASN 137 Cb 0.66 -0.08 -0.24 0.00 -1.06 0.00 0.00 38.32 37.60 2dgj h ASN 137 CO 0.00 0.22 0.54 -0.90 -1.06 0.00 0.00 177.43 176.23 2dgj n ASP 138 N -4.49 3.94 0.42 5.81 5.75 -1.26 -4.60 116.55 122.11 2dgj n ASP 138 Ca 0.02 -3.30 -0.19 0.00 -0.01 0.00 0.00 54.79 51.31 2dgj n ASP 138 Cb 0.11 -0.79 -0.09 0.00 -1.03 0.00 0.00 41.12 39.31 2dgj n ASP 138 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2dgj h LYS 139 N 0.89 -1.04 -0.17 0.11 3.64 -1.68 -1.75 116.57 116.57 2dgj h LYS 139 Ca 0.51 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 60.01 2dgj h LYS 139 Cb 2.34 0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 34.34 2dgj h LYS 139 CO 0.92 -0.69 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.79 2dgj h ASP 140 N -1.08 -0.54 -0.42 4.20 3.32 -1.85 -0.66 116.42 119.39 2dgj h ASP 140 Ca -0.10 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2dgj h ASP 140 Cb 0.84 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 2dgj h ASP 140 CO 0.15 -0.22 0.02 0.00 -1.72 0.00 0.00 179.24 177.48 2dgj h ALA 141 N 0.88 0.40 -0.25 3.45 0.00 -1.89 -2.48 119.26 119.37 2dgj h ALA 141 Ca 0.11 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dgj h ALA 141 Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dgj h ALA 141 CO -0.29 -0.37 0.15 1.15 0.00 0.00 0.00 179.25 179.89 2dgj h THR 142 N 0.13 1.05 -0.27 0.00 2.02 -0.77 -2.96 112.91 112.12 2dgj h THR 142 Ca 0.20 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2dgj h THR 142 Cb 0.28 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2dgj h THR 142 CO -0.32 0.06 0.18 -0.07 0.37 0.00 0.00 175.52 175.74 2dgj h LEU 143 N 0.32 0.19 -2.92 2.58 4.07 -0.71 -1.97 115.31 116.87 2dgj h LEU 143 Ca 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2dgj h LEU 143 Cb -0.02 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2dgj h LEU 143 CO -0.03 0.13 0.00 -2.11 -1.08 0.00 0.00 178.44 175.35 2dgj n ARG 144 N -4.49 3.41 -3.71 1.13 1.85 -0.99 -4.57 116.66 109.28 2dgj n ARG 144 Ca 0.02 -2.72 -0.36 0.00 -1.00 0.00 0.00 57.85 53.79 2dgj n ARG 144 Cb 0.19 -1.80 -0.06 0.00 -1.05 0.00 0.00 32.46 29.74 2dgj n ARG 144 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2dgj s ASN 145 N -0.91 6.55 0.45 2.89 3.84 -0.74 -4.97 114.94 122.06 2dgj s ASN 145 Ca 0.49 0.65 0.13 0.00 0.21 0.00 0.00 52.86 54.34 2dgj s ASN 145 Cb 0.30 -2.13 1.07 0.00 -0.55 0.00 0.00 41.25 39.94 2dgj s ASN 145 CO 0.26 0.29 2.04 -0.61 -2.79 0.00 0.00 177.10 176.29 2dgj h GLN 146 N 4.27 0.32 0.00 0.43 -0.00 -1.92 0.53 115.11 118.74 2dgj h GLN 146 Ca -0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.11 2dgj h GLN 146 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.61 2dgj h GLN 146 CO 0.64 0.21 -0.05 -0.97 0.00 0.00 0.00 178.83 178.66 2dgj h ASN 147 N 0.33 0.00 0.00 -0.69 -1.24 -1.90 -0.36 115.58 111.72 2dgj h ASN 147 Ca 0.18 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.89 2dgj h ASN 147 Cb 0.30 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.31 2dgj h ASN 147 CO -0.04 0.05 -1.75 0.00 -1.29 0.00 0.00 177.43 174.40 2dgj n TYR 148 N -3.61 0.53 -0.27 0.67 4.19 -0.03 -0.74 117.16 117.90 2dgj n TYR 148 Ca -0.02 0.23 0.05 0.00 3.31 0.00 0.00 57.90 61.47 2dgj n TYR 148 Cb 0.16 -1.00 0.19 0.00 0.49 0.00 0.00 39.34 39.18 2dgj n TYR 148 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2dgj h LEU 149 N -1.00 0.42 -1.46 2.98 -0.00 -0.86 -0.82 115.31 114.57 2dgj h LEU 149 Ca -0.46 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2dgj h LEU 149 Cb 1.37 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 2dgj h LEU 149 CO -0.28 0.19 0.00 0.47 -0.00 0.00 0.00 178.44 178.82 2dgj n ASP 150 N -4.92 2.16 -4.78 -0.43 8.00 -0.16 -4.93 116.55 111.48 2dgj n ASP 150 Ca 0.15 -1.87 -0.34 0.00 0.71 0.00 0.00 54.79 53.44 2dgj n ASP 150 Cb 0.40 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.31 2dgj n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgj s ALA 151 N -1.60 2.67 0.50 2.24 0.00 -0.32 -4.22 121.76 121.03 2dgj s ALA 151 Ca 0.31 0.58 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 2dgj s ALA 151 Cb 0.17 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.90 2dgj s ALA 151 CO 0.24 -0.86 0.75 -0.25 0.00 0.00 0.00 175.76 175.63 2dgj n ASP 152 N -1.80 -0.03 -0.21 0.00 8.00 -1.26 -4.67 116.55 116.58 2dgj n ASP 152 Ca 0.10 0.87 0.01 0.00 0.71 0.00 0.00 54.79 56.48 2dgj n ASP 152 Cb 0.52 -1.25 0.12 0.00 -0.02 0.00 0.00 41.12 40.49 2dgj n ASP 152 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dgj h GLU 153 N 0.77 0.30 -0.38 -1.24 4.57 -1.96 -1.08 114.58 115.55 2dgj h GLU 153 Ca -0.45 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.67 2dgj h GLU 153 Cb 1.38 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 2dgj h GLU 153 CO 0.51 0.20 0.03 0.66 -1.18 0.00 0.00 179.01 179.23 2dgj h SER 154 N 0.31 0.55 0.16 1.04 4.64 -2.00 -2.01 113.55 116.24 2dgj h SER 154 Ca 0.33 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.35 2dgj h SER 154 Cb 0.48 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2dgj h SER 154 CO -0.39 0.60 -0.78 0.11 -0.87 0.00 0.00 176.83 175.50 2dgj h LYS 155 N 0.57 0.51 -0.48 4.77 1.57 -1.60 -1.84 116.57 120.08 2dgj h LYS 155 Ca 0.12 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 2dgj h LYS 155 Cb 0.32 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2dgj h LYS 155 CO 0.01 1.07 0.02 0.00 -0.57 0.00 0.00 179.45 179.98 2dgj h ARG 156 N 0.34 0.83 -0.42 3.15 3.08 -1.04 -2.37 114.38 117.94 2dgj h ARG 156 Ca -0.05 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2dgj h ARG 156 Cb 1.38 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2dgj h ARG 156 CO 0.14 0.87 0.24 -0.97 -1.07 0.00 0.00 179.97 179.18 2dgj h ASN 157 N 0.68 0.52 -0.88 7.04 -1.24 -1.33 -0.15 115.58 120.22 2dgj h ASN 157 Ca 0.14 -0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.14 2dgj h ASN 157 Cb 0.48 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 39.33 2dgj h ASN 157 CO 0.02 0.44 0.54 0.00 -1.29 0.00 0.00 177.43 177.14 2dgj h ALA 158 N 1.10 1.22 -0.14 1.57 0.00 -1.17 0.55 119.26 122.39 2dgj h ALA 158 Ca 0.15 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 2dgj h ALA 158 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2dgj h ALA 158 CO -0.03 0.27 -0.73 -0.92 0.00 0.00 0.00 179.25 177.85 2dgj h TYR 159 N 0.98 0.88 -0.05 0.00 5.03 -1.04 -1.45 116.97 121.33 2dgj h TYR 159 Ca 0.39 -0.38 -0.15 0.00 2.58 0.00 0.00 58.73 61.17 2dgj h TYR 159 Cb 0.21 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2dgj h TYR 159 CO -0.03 1.18 -0.66 0.00 -1.32 0.00 0.00 178.16 177.33 2dgj h THR 160 N 0.46 1.42 -0.08 1.81 1.03 -0.41 -0.69 112.91 116.45 2dgj h THR 160 Ca -0.04 -2.14 -0.04 0.00 -0.01 0.00 0.00 66.41 64.18 2dgj h THR 160 Cb 1.34 2.12 -0.00 0.00 -1.07 0.00 0.00 68.15 70.53 2dgj h THR 160 CO 0.14 0.63 -0.12 -0.61 -0.01 0.00 0.00 175.52 175.55 2dgj h GLN 161 N 0.14 0.23 -0.69 0.00 5.75 0.11 -2.12 115.11 118.51 2dgj h GLN 161 Ca -0.01 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.31 2dgj h GLN 161 Cb 1.19 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.72 2dgj h GLN 161 CO 0.10 0.70 0.29 0.00 -2.65 0.00 0.00 178.83 177.26 2dgj h ALA 162 N 0.53 0.90 0.10 3.38 0.00 -1.23 -1.02 119.26 121.92 2dgj h ALA 162 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dgj h ALA 162 Cb 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dgj h ALA 162 CO 0.03 0.51 -0.05 0.28 0.00 0.00 0.00 179.25 180.02 2dgj h VAL 163 N 0.98 1.05 -0.96 0.00 2.07 -1.15 -1.50 116.25 116.73 2dgj h VAL 163 Ca 0.23 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2dgj h VAL 163 Cb 0.19 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2dgj h VAL 163 CO -0.02 0.14 0.63 0.74 0.02 0.00 0.00 177.57 179.09 2dgj h THR 164 N -0.41 1.17 -0.72 2.57 2.02 -1.32 0.35 112.91 116.57 2dgj h THR 164 Ca -0.01 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 2dgj h THR 164 Cb 0.34 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2dgj h THR 164 CO 0.02 0.22 0.22 0.00 0.37 0.00 0.00 175.52 176.36 2dgj h ALA 165 N 1.43 1.02 -0.52 6.16 0.00 -1.12 -1.84 119.26 124.40 2dgj h ALA 165 Ca 0.38 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2dgj h ALA 165 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2dgj h ALA 165 CO -0.11 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.85 2dgj h ALA 166 N 1.15 0.69 -0.08 0.00 0.00 -0.11 -2.13 119.26 118.78 2dgj h ALA 166 Ca 0.23 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2dgj h ALA 166 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dgj h ALA 166 CO -0.01 0.45 -0.23 0.93 0.00 0.00 0.00 179.25 180.39 2dgj h GLU 167 N 0.75 0.14 -0.04 0.00 5.08 -0.73 -0.70 114.58 119.08 2dgj h GLU 167 Ca 0.15 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 2dgj h GLU 167 Cb 0.44 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2dgj h GLU 167 CO 0.01 0.37 -0.60 0.78 -1.00 0.00 0.00 179.01 178.57 2dgj h GLY 168 N 0.86 0.15 1.93 -3.84 0.00 -1.00 -2.87 103.07 98.30 2dgj h GLY 168 Ca 0.02 -0.18 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 2dgj h GLY 168 CO 0.03 0.16 -0.92 -2.22 0.00 0.00 0.00 176.54 173.60 2dgj h ILE 169 N 0.10 1.61 0.00 2.60 2.04 -0.73 -3.32 117.51 119.80 2dgj h ILE 169 Ca -0.01 -2.98 -0.10 0.00 1.00 0.00 0.00 64.86 62.77 2dgj h ILE 169 Cb 1.09 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2dgj h ILE 169 CO 0.09 0.86 -0.47 -0.07 0.00 0.00 0.00 178.15 178.56 2dgj h LEU 170 N 0.03 0.00 -9.06 1.44 3.38 -1.04 -3.43 115.31 106.63 2dgj h LEU 170 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 2dgj h LEU 170 Cb 1.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2dgj h LEU 170 CO 0.13 0.47 1.28 0.21 0.09 0.00 0.00 178.44 180.62 2dgj s ASN 171 N -6.44 6.03 0.36 -0.43 3.84 -1.09 -4.86 114.94 112.35 2dgj s ASN 171 Ca 0.04 1.87 0.08 0.00 0.21 0.00 0.00 52.86 55.06 2dgj s ASN 171 Cb 0.07 -2.52 0.80 0.00 -0.55 0.00 0.00 41.25 39.05 2dgj s ASN 171 CO 0.74 -1.50 1.90 0.11 -2.79 0.00 0.00 177.10 175.56 2dgj h LYS 172 N 12.37 0.69 0.14 0.43 1.57 -1.88 0.67 116.57 130.56 2dgj h LYS 172 Ca -0.39 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.07 2dgj h LYS 172 Cb 1.20 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.37 2dgj h LYS 172 CO 0.98 0.46 -1.25 1.96 -0.57 0.00 0.00 179.45 181.02 2dgj h GLN 173 N 0.71 0.36 0.00 3.15 7.50 -1.94 0.10 115.11 124.99 2dgj h GLN 173 Ca 0.40 -0.58 -0.03 0.00 0.50 0.00 0.00 58.65 58.94 2dgj h GLN 173 Cb 0.56 0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 2dgj h GLN 173 CO -0.16 1.26 -1.56 0.25 -1.50 0.00 0.00 178.83 177.12 2dgj n THR 174 N -3.61 0.12 -1.68 -0.54 -2.24 -1.05 -4.85 114.28 100.42 2dgj n THR 174 Ca -0.10 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 2dgj n THR 174 Cb 1.01 0.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 2dgj n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dgj n GLY 175 N 1.93 0.22 0.00 3.38 0.00 0.23 -5.01 105.19 105.95 2dgj n GLY 175 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2dgj n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dgj n GLY 176 N 1.04 -0.12 2.87 -0.02 0.00 -1.26 -4.17 105.19 103.52 2dgj n GLY 176 Ca 0.13 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2dgj n GLY 176 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dgj n ASN 177 N -1.36 5.82 -4.71 1.61 4.05 -1.26 -4.05 115.26 115.36 2dgj n ASN 177 Ca 0.00 -3.23 -0.42 0.00 0.45 0.00 0.00 54.58 51.38 2dgj n ASN 177 Cb 0.00 -1.39 -0.03 0.00 1.23 0.00 0.00 39.78 39.59 2dgj n ASN 177 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2dgj s THR 178 N -0.90 3.74 0.89 -0.44 2.01 -1.26 -4.93 115.64 114.75 2dgj s THR 178 Ca 0.38 1.23 -0.11 0.00 0.31 0.00 0.00 61.69 63.50 2dgj s THR 178 Cb 0.09 -3.79 0.13 0.00 0.01 0.00 0.00 72.50 68.94 2dgj s THR 178 CO 0.02 0.08 1.10 -0.94 -0.69 0.00 0.00 174.62 174.19 2dgj s SER 179 N 1.20 3.37 0.13 3.53 1.04 -1.26 -4.82 113.70 116.89 2dgj s SER 179 Ca 0.61 1.79 -0.19 0.00 0.48 0.00 0.00 55.95 58.64 2dgj s SER 179 Cb -0.32 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 2dgj s SER 179 CO 0.29 -2.75 1.75 0.50 0.98 0.00 0.00 173.24 174.01 2dgj h LYS 180 N -1.62 0.20 -0.85 4.02 3.11 -1.96 -1.72 116.57 117.75 2dgj h LYS 180 Ca -0.47 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.40 2dgj h LYS 180 Cb 1.27 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 32.40 2dgj h LYS 180 CO 0.49 0.13 0.53 0.00 -2.81 0.00 0.00 179.45 177.80 2dgj h ALA 181 N 1.13 1.14 -0.05 5.00 0.00 -2.00 -1.49 119.26 122.99 2dgj h ALA 181 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2dgj h ALA 181 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2dgj h ALA 181 CO -0.09 0.32 -0.41 -0.44 0.00 0.00 0.00 179.25 178.64 2dgj h ASP 182 N 1.01 0.11 -0.60 0.00 3.32 -1.86 -1.02 116.42 117.39 2dgj h ASP 182 Ca 0.35 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 2dgj h ASP 182 Cb 0.09 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2dgj h ASP 182 CO -0.14 0.52 0.14 0.58 -1.72 0.00 0.00 179.24 178.61 2dgj h VAL 183 N 0.09 1.25 -0.50 -1.35 2.07 -0.41 -1.79 116.25 115.61 2dgj h VAL 183 Ca 0.01 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2dgj h VAL 183 Cb 0.77 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2dgj h VAL 183 CO 0.06 0.34 -0.04 0.44 0.02 0.00 0.00 177.57 178.39 2dgj h ASP 184 N 0.88 0.90 -0.15 0.57 3.32 -0.77 -0.50 116.42 120.67 2dgj h ASP 184 Ca 0.19 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2dgj h ASP 184 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2dgj h ASP 184 CO 0.00 1.01 0.09 0.78 -1.72 0.00 0.00 179.24 179.41 2dgj h ASN 185 N 0.77 0.15 -0.95 6.45 -0.26 -1.06 0.30 115.58 120.99 2dgj h ASN 185 Ca 0.14 -0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.93 2dgj h ASN 185 Cb 0.58 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.74 2dgj h ASN 185 CO 0.03 0.11 0.60 0.00 -1.06 0.00 0.00 177.43 177.12 2dgj h ALA 186 N 1.06 1.30 -0.24 -0.83 0.00 -1.17 0.15 119.26 119.53 2dgj h ALA 186 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dgj h ALA 186 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2dgj h ALA 186 CO -0.02 0.40 0.06 1.25 0.00 0.00 0.00 179.25 180.94 2dgj h LEU 187 N 1.11 0.36 -1.41 0.00 5.85 -0.23 -2.73 115.31 118.27 2dgj h LEU 187 Ca 0.40 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2dgj h LEU 187 Cb 0.14 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2dgj h LEU 187 CO -0.16 0.49 0.08 0.78 -0.34 0.00 0.00 178.44 179.29 2dgj h ASN 188 N 0.22 0.43 -0.24 1.25 2.35 0.29 -2.43 115.58 117.45 2dgj h ASN 188 Ca 0.08 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2dgj h ASN 188 Cb 0.27 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2dgj h ASN 188 CO -0.00 0.44 0.08 0.00 -1.65 0.00 0.00 177.43 176.30 2dgj h ALA 189 N 1.63 0.31 0.05 -0.83 0.00 -0.79 -0.63 119.26 119.00 2dgj h ALA 189 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dgj h ALA 189 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dgj h ALA 189 CO -0.00 -0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.43 2dgj h VAL 190 N 0.23 1.00 -0.11 0.00 2.07 -1.26 0.40 116.25 118.58 2dgj h VAL 190 Ca 0.08 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2dgj h VAL 190 Cb 0.21 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2dgj h VAL 190 CO -0.00 0.04 -0.04 0.74 0.02 0.00 0.00 177.57 178.32 2dgj h THR 191 N -0.13 0.85 -0.64 2.57 2.02 -1.39 0.51 112.91 116.71 2dgj h THR 191 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2dgj h THR 191 Cb 0.11 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2dgj h THR 191 CO 0.01 0.00 0.06 0.03 0.37 0.00 0.00 175.52 175.99 2dgj h ARG 192 N -0.03 1.08 -0.44 6.66 3.08 -1.05 -1.74 114.38 121.94 2dgj h ARG 192 Ca 0.06 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 2dgj h ARG 192 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2dgj h ARG 192 CO -0.13 1.02 -0.10 0.00 -1.07 0.00 0.00 179.97 179.68 2dgj h ALA 193 N 1.05 0.60 -0.35 0.04 0.00 -0.67 -0.52 119.26 119.41 2dgj h ALA 193 Ca 0.19 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2dgj h ALA 193 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dgj h ALA 193 CO 0.02 0.49 -0.10 -0.22 0.00 0.00 0.00 179.25 179.44 2dgj h LYS 194 N 0.68 0.70 0.00 0.00 3.64 -0.82 -2.52 116.57 118.24 2dgj h LYS 194 Ca 0.11 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2dgj h LYS 194 Cb 0.64 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2dgj h LYS 194 CO 0.04 0.86 -0.07 0.00 -2.27 0.00 0.00 179.45 178.02 2dgj h ALA 195 N 0.81 1.04 0.00 5.00 0.00 -1.27 -2.72 119.26 122.12 2dgj h ALA 195 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2dgj h ALA 195 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dgj h ALA 195 CO 0.04 0.09 -0.27 0.00 0.00 0.00 0.00 179.25 179.10 2dgj h ALA 196 N 1.93 0.83 -1.50 0.00 0.00 -0.67 -3.46 119.26 116.40 2dgj h ALA 196 Ca -0.00 -0.25 -0.74 0.00 0.00 0.00 0.00 54.91 53.92 2dgj h ALA 196 Cb 0.50 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2dgj h ALA 196 CO 0.01 0.34 0.77 1.28 0.00 0.00 0.00 179.25 181.65 2dgj n LEU 197 N -3.18 2.06 -0.79 0.00 4.32 -1.03 -4.86 117.00 113.52 2dgj n LEU 197 Ca 0.03 1.10 0.02 0.00 -0.02 0.00 0.00 56.01 57.14 2dgj n LEU 197 Cb 0.63 -1.12 0.20 0.00 -1.62 0.00 0.00 43.42 41.51 2dgj n LEU 197 CO 0.37 -0.63 0.42 -0.46 -1.22 0.00 0.00 177.39 175.87 2dgj n ASN 198 N 4.60 2.02 -0.03 -1.43 6.94 -1.25 -4.73 115.26 121.37 2dgj n ASN 198 Ca 0.25 -3.88 0.05 0.00 -0.02 0.00 0.00 54.58 50.98 2dgj n ASN 198 Cb 0.12 -0.54 0.43 0.00 -2.36 0.00 0.00 39.78 37.42 2dgj n ASN 198 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2dgj h GLY 199 N 1.06 0.61 0.96 4.83 0.00 -1.10 -0.28 103.07 109.14 2dgj h GLY 199 Ca 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2dgj h GLY 199 CO 0.12 0.20 0.16 0.00 0.00 0.00 0.00 176.54 177.02 2dgj h ALA 200 N 1.72 0.61 -0.29 3.60 0.00 -1.80 -2.23 119.26 120.87 2dgj h ALA 200 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2dgj h ALA 200 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2dgj h ALA 200 CO -0.04 0.24 -0.10 0.93 0.00 0.00 0.00 179.25 180.28 2dgj h GLU 201 N 0.61 0.58 -0.90 0.00 3.07 -1.66 -2.70 114.58 113.59 2dgj h GLU 201 Ca 0.15 -0.24 0.07 0.00 -0.50 0.00 0.00 59.36 58.84 2dgj h GLU 201 Cb 0.24 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 2dgj h GLU 201 CO -0.01 0.80 0.58 -0.91 -1.40 0.00 0.00 179.01 178.07 2dgj h ASN 202 N 0.34 0.88 -0.30 1.42 2.35 -0.99 0.15 115.58 119.43 2dgj h ASN 202 Ca 0.07 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2dgj h ASN 202 Cb 0.60 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2dgj h ASN 202 CO 0.03 0.56 0.04 0.25 -1.65 0.00 0.00 177.43 176.67 2dgj h LEU 203 N 1.00 0.49 -0.94 1.61 5.85 -1.30 -0.17 115.31 121.85 2dgj h LEU 203 Ca 0.39 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2dgj h LEU 203 Cb 0.22 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2dgj h LEU 203 CO -0.15 0.64 -0.38 0.03 -0.34 0.00 0.00 178.44 178.24 2dgj h ARG 204 N 0.32 0.30 -0.21 1.25 3.08 -1.07 -0.55 114.38 117.51 2dgj h ARG 204 Ca 0.09 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2dgj h ARG 204 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2dgj h ARG 204 CO 0.01 0.63 -0.43 -0.91 -1.07 0.00 0.00 179.97 178.20 2dgj h ASN 205 N 0.25 0.54 -0.24 7.04 4.21 -0.55 -2.30 115.58 124.52 2dgj h ASN 205 Ca 0.03 -0.25 -0.17 0.00 1.21 0.00 0.00 56.30 57.12 2dgj h ASN 205 Cb 0.78 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2dgj h ASN 205 CO 0.06 0.91 -0.50 0.00 -1.29 0.00 0.00 177.43 176.61 2dgj h ALA 206 N 1.12 0.39 -0.20 -0.83 0.00 -0.58 -1.06 119.26 118.10 2dgj h ALA 206 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2dgj h ALA 206 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dgj h ALA 206 CO 0.08 0.57 0.12 0.87 0.00 0.00 0.00 179.25 180.89 2dgj h LYS 207 N 0.51 0.27 -0.63 0.00 1.57 -1.05 0.20 116.57 117.43 2dgj h LYS 207 Ca 0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2dgj h LYS 207 Cb 1.11 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2dgj h LYS 207 CO 0.11 0.22 0.22 1.79 -0.57 0.00 0.00 179.45 181.22 2dgj h THR 208 N 0.24 1.24 -0.67 -0.16 1.35 -1.42 0.32 112.91 113.81 2dgj h THR 208 Ca 0.07 -0.80 -0.06 0.00 -0.55 0.00 0.00 66.41 65.07 2dgj h THR 208 Cb 0.02 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 2dgj h THR 208 CO -0.01 0.31 0.18 -1.28 -0.25 0.00 0.00 175.52 174.46 2dgj h SER 209 N 0.90 1.00 -0.31 5.36 0.87 -0.92 -1.00 113.55 119.45 2dgj h SER 209 Ca 0.21 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 2dgj h SER 209 Cb 0.25 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2dgj h SER 209 CO -0.01 0.96 -0.20 0.00 -0.53 0.00 0.00 176.83 177.05 2dgj h ALA 210 N 1.07 0.45 -0.70 6.23 0.00 -0.29 -2.35 119.26 123.67 2dgj h ALA 210 Ca 0.21 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2dgj h ALA 210 Cb 0.34 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2dgj h ALA 210 CO -0.00 0.40 0.43 1.15 0.00 0.00 0.00 179.25 181.22 2dgj h THR 211 N 0.45 1.05 -0.31 0.00 2.02 -0.12 0.06 112.91 116.06 2dgj h THR 211 Ca 0.06 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2dgj h THR 211 Cb 0.75 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2dgj h THR 211 CO 0.06 0.15 0.10 0.78 0.37 0.00 0.00 175.52 176.97 2dgj h ASN 212 N 0.81 0.45 -0.98 4.18 2.35 -1.12 -0.23 115.58 121.05 2dgj h ASN 212 Ca 0.29 -0.20 0.08 0.00 -0.55 0.00 0.00 56.30 55.92 2dgj h ASN 212 Cb 0.08 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.27 2dgj h ASN 212 CO -0.14 0.53 0.63 0.74 -1.65 0.00 0.00 177.43 177.55 2dgj h THR 213 N 0.34 1.05 0.28 2.81 2.02 -0.94 -2.79 112.91 115.68 2dgj h THR 213 Ca 0.10 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2dgj h THR 213 Cb 0.24 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2dgj h THR 213 CO -0.00 0.20 -0.13 0.40 0.37 0.00 0.00 175.52 176.35 2dgj h ILE 214 N 1.10 0.00 -0.11 3.11 1.08 -0.47 -2.16 117.51 120.06 2dgj h ILE 214 Ca 0.43 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.93 2dgj h ILE 214 Cb 0.24 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2dgj h ILE 214 CO -0.18 0.00 0.95 0.78 -0.69 0.00 0.00 178.15 179.01 2dgj h ASN 215 N -0.38 0.00 0.00 1.72 2.35 -0.85 -1.75 115.58 116.67 2dgj h ASN 215 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2dgj h ASN 215 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2dgj h ASN 215 CO 0.06 0.00 -0.81 0.61 -1.65 0.00 0.00 177.43 175.65 2dgj n GLY 216 N -1.50 0.03 3.60 2.83 0.00 -1.07 -4.98 105.19 104.11 2dgj n GLY 216 Ca 0.02 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2dgj n GLY 216 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dgj s LEU 217 N -2.89 3.53 0.46 0.99 2.34 -0.66 -4.86 118.68 117.58 2dgj s LEU 217 Ca 0.00 1.32 0.13 0.00 0.06 0.00 0.00 54.13 55.64 2dgj s LEU 217 Cb 0.05 -3.53 0.72 0.00 -0.56 0.00 0.00 46.19 42.87 2dgj s LEU 217 CO 0.28 -1.67 1.31 -0.65 -1.06 0.00 0.00 176.35 174.56 2dgj h PRO 218 N 12.67 0.00 -1.17 1.48 0.11 -1.92 -3.30 132.00 139.87 2dgj h PRO 218 Ca -0.34 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.16 2dgj h PRO 218 Cb 1.17 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.90 2dgj h PRO 218 CO 1.03 0.00 -0.18 0.09 -0.21 0.00 0.00 178.00 178.73 2dgj n ASN 219 N -2.27 5.82 0.00 -2.05 4.13 -1.26 -4.98 115.26 114.65 2dgj n ASN 219 Ca -0.01 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.49 2dgj n ASN 219 Cb 0.51 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 2dgj n ASN 219 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2dgj n LEU 220 N -0.67 0.00 -3.96 3.41 7.99 -1.24 -5.09 117.00 117.44 2dgj n LEU 220 Ca 0.48 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.39 2dgj n LEU 220 Cb 0.72 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.92 2dgj n LEU 220 CO 0.48 0.00 -0.34 0.42 -1.51 0.00 0.00 177.39 176.44 2dgj s THR 221 N -0.40 0.10 0.50 -5.08 -4.23 -1.26 -4.96 115.64 100.30 2dgj s THR 221 Ca 0.00 -0.81 0.31 0.00 -1.18 0.00 0.00 61.69 60.02 2dgj s THR 221 Cb 0.00 -0.26 0.51 0.00 1.34 0.00 0.00 72.50 74.09 2dgj s THR 221 CO 0.00 -0.44 1.78 -0.61 -0.54 0.00 0.00 174.62 174.81 2dgj h GLN 222 N 4.74 0.12 0.06 3.99 4.15 -1.99 0.26 115.11 126.44 2dgj h GLN 222 Ca -0.31 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 58.81 2dgj h GLN 222 Cb 1.21 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 2dgj h GLN 222 CO 0.42 0.08 -1.53 -0.07 -1.93 0.00 0.00 178.83 175.79 2dgj h LEU 223 N 0.12 0.20 -0.14 -2.39 -0.00 -1.99 -2.88 115.31 108.23 2dgj h LEU 223 Ca 0.59 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2dgj h LEU 223 Cb 2.08 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2dgj h LEU 223 CO -0.11 1.27 -0.20 1.67 -0.00 0.00 0.00 178.44 181.06 2dgj n GLN 224 N -3.31 0.36 0.00 1.13 -0.06 0.68 -4.11 117.38 112.06 2dgj n GLN 224 Ca -0.15 -0.14 0.00 0.00 -2.00 0.00 0.00 57.00 54.71 2dgj n GLN 224 Cb 1.03 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.71 2dgj n GLN 224 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2dgj n LYS 225 N -1.20 1.03 0.20 3.69 4.81 0.22 -4.25 118.16 122.65 2dgj n LYS 225 Ca 0.10 -0.83 0.11 0.00 -0.87 0.00 0.00 58.31 56.82 2dgj n LYS 225 Cb 0.31 -0.70 0.13 0.00 0.02 0.00 0.00 35.03 34.80 2dgj n LYS 225 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2dgj h ASP 226 N 0.00 0.00 0.44 3.14 3.58 -1.66 -2.93 116.42 118.99 2dgj h ASP 226 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2dgj h ASP 226 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2dgj h ASP 226 CO 0.00 0.06 -1.20 0.59 -2.88 0.00 0.00 179.24 175.81 2dgj n ASN 227 N -3.06 0.56 0.07 2.28 5.03 -1.26 -3.27 115.26 115.61 2dgj n ASN 227 Ca 0.03 -0.11 -0.11 0.00 0.87 0.00 0.00 54.58 55.26 2dgj n ASN 227 Cb 0.56 0.96 -0.13 0.00 -1.02 0.00 0.00 39.78 40.14 2dgj n ASN 227 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2dgj h LEU 228 N 0.00 0.20 -0.89 3.41 5.85 -1.72 -2.24 115.31 119.92 2dgj h LEU 228 Ca 0.00 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 2dgj h LEU 228 Cb 0.82 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2dgj h LEU 228 CO 0.00 1.18 0.14 0.11 -0.34 0.00 0.00 178.44 179.53 2dgj h LYS 229 N 0.03 0.96 -0.47 1.25 1.57 -1.62 0.10 116.57 118.41 2dgj h LYS 229 Ca -0.10 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 2dgj h LYS 229 Cb 1.89 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 2dgj h LYS 229 CO 0.16 0.86 0.24 1.25 -0.57 0.00 0.00 179.45 181.38 2dgj h HIS 230 N 0.92 0.66 -0.81 -1.35 2.76 -1.51 0.27 115.15 116.09 2dgj h HIS 230 Ca 0.20 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2dgj h HIS 230 Cb 0.34 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 2dgj h HIS 230 CO 0.02 0.52 0.41 1.96 -1.30 0.00 0.00 177.93 179.54 2dgj h GLN 231 N 0.61 1.15 -0.19 5.26 4.20 -0.78 -1.33 115.11 124.04 2dgj h GLN 231 Ca 0.16 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2dgj h GLN 231 Cb 0.09 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2dgj h GLN 231 CO -0.02 0.88 0.07 0.28 -0.67 0.00 0.00 178.83 179.37 2dgj h VAL 232 N 1.14 0.97 0.00 -0.54 2.07 -0.10 -2.09 116.25 117.69 2dgj h VAL 232 Ca 0.28 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 2dgj h VAL 232 Cb 0.09 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2dgj h VAL 232 CO -0.04 0.03 -0.20 -0.08 0.02 0.00 0.00 177.57 177.30 2dgj h GLU 233 N 0.17 0.00 -0.00 1.57 4.57 -0.62 -2.63 114.58 117.63 2dgj h GLU 233 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2dgj h GLU 233 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2dgj h GLU 233 CO -0.08 0.20 -0.15 1.04 -1.18 0.00 0.00 179.01 178.85 2dgj n GLN 234 N -4.07 0.13 -1.98 1.92 6.02 -0.53 -4.91 117.38 113.96 2dgj n GLN 234 Ca -0.02 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.57 2dgj n GLN 234 Cb 0.27 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.06 2dgj n GLN 234 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dgj s ALA 235 N -2.90 2.69 -0.82 -1.58 0.00 -0.90 -4.96 121.76 113.29 2dgj s ALA 235 Ca 0.16 1.10 0.21 0.00 0.00 0.00 0.00 51.96 53.43 2dgj s ALA 235 Cb 0.19 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 2dgj s ALA 235 CO 0.56 -1.15 0.81 1.04 0.00 0.00 0.00 175.76 177.03 2dgj n GLN 236 N -1.24 0.23 -4.03 0.00 6.02 -1.26 -4.95 117.38 112.15 2dgj n GLN 236 Ca 0.12 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 2dgj n GLN 236 Cb 0.48 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 2dgj n GLN 236 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dgj s ASN 237 N -3.21 0.39 0.18 1.08 2.20 -1.26 -5.02 114.94 109.30 2dgj s ASN 237 Ca 0.05 -1.23 -0.13 0.00 -0.94 0.00 0.00 52.86 50.61 2dgj s ASN 237 Cb 0.15 0.64 0.08 0.00 -2.00 0.00 0.00 41.25 40.13 2dgj s ASN 237 CO 0.86 -1.25 1.81 0.58 -2.94 0.00 0.00 177.10 176.15 2dgj h VAL 238 N 2.18 1.18 -0.22 3.54 2.07 -1.92 -2.44 116.25 120.64 2dgj h VAL 238 Ca -0.28 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2dgj h VAL 238 Cb 1.25 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2dgj h VAL 238 CO 0.38 0.19 -0.03 -0.37 0.02 0.00 0.00 177.57 177.77 2dgj h VAL 239 N 0.80 1.15 -0.43 2.57 -1.51 -1.98 -1.22 116.25 115.64 2dgj h VAL 239 Ca 0.21 -0.62 -0.04 0.00 -1.23 0.00 0.00 66.70 65.02 2dgj h VAL 239 Cb 0.00 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.17 2dgj h VAL 239 CO -0.04 0.21 0.12 1.23 -1.23 0.00 0.00 177.57 177.86 2dgj h GLY 240 N 0.67 0.72 1.20 5.19 0.00 -1.86 0.45 103.07 109.44 2dgj h GLY 240 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2dgj h GLY 240 CO 0.01 0.41 0.21 -2.08 0.00 0.00 0.00 176.54 175.09 2dgj h VAL 241 N 0.55 1.24 -0.18 4.60 2.07 -1.09 -1.60 116.25 121.84 2dgj h VAL 241 Ca 0.14 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 2dgj h VAL 241 Cb 0.28 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2dgj h VAL 241 CO -0.00 0.32 -0.32 0.78 0.02 0.00 0.00 177.57 178.37 2dgj h ASN 242 N 0.97 0.36 -0.35 0.57 4.21 -0.75 -2.57 115.58 118.02 2dgj h ASN 242 Ca 0.22 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2dgj h ASN 242 Cb 0.27 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2dgj h ASN 242 CO -0.01 0.67 0.22 1.23 -1.29 0.00 0.00 177.43 178.25 2dgj h GLY 243 N 1.08 0.50 1.61 2.83 0.00 0.87 -2.59 103.07 107.37 2dgj h GLY 243 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 2dgj h GLY 243 CO 0.06 0.19 -0.34 -0.39 0.00 0.00 0.00 176.54 176.06 2dgj h VAL 244 N 0.47 1.29 -0.47 4.60 -1.51 -1.38 -3.30 116.25 115.94 2dgj h VAL 244 Ca 0.13 -1.42 0.08 0.00 -1.23 0.00 0.00 66.70 64.26 2dgj h VAL 244 Cb -0.02 1.49 -0.07 0.00 -2.13 0.00 0.00 31.29 30.56 2dgj h VAL 244 CO -0.03 0.44 0.07 0.11 -1.23 0.00 0.00 177.57 176.94 2dgj h LYS 245 N 0.38 0.19 0.00 5.19 1.79 -1.05 -0.61 116.57 122.46 2dgj h LYS 245 Ca 0.04 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2dgj h LYS 245 Cb 0.77 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2dgj h LYS 245 CO 0.06 0.13 0.00 0.22 -1.08 0.00 0.00 179.45 178.78 2dgj h ASP 246 N 0.20 0.00 0.00 0.86 3.58 -1.62 0.31 116.42 119.74 2dgj h ASP 246 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2dgj h ASP 246 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2dgj h ASP 246 CO -0.33 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.32 2dgj n LYS 247 N -2.36 0.78 0.00 0.28 5.02 -0.23 -2.01 118.16 119.63 2dgj n LYS 247 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2dgj n LYS 247 Cb 0.10 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2dgj n LYS 247 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dgj n GLY 248 N 1.12 0.18 0.00 0.72 0.00 0.10 -5.10 105.19 102.21 2dgj n GLY 248 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dgj n GLY 248 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31