#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 s SER 25 N 0.00 4.54 0.43 -1.34 1.04 -1.26 -4.92 113.70 112.19 2dd4 s SER 25 Ca 0.00 0.48 0.13 0.00 0.48 0.00 0.00 55.95 57.04 2dd4 s SER 25 Cb 0.00 -1.02 0.94 0.00 0.10 0.00 0.00 66.02 66.05 2dd4 s SER 25 CO 0.00 -1.81 1.97 0.44 0.98 0.00 0.00 173.24 174.83 2dd4 h ASP 26 N -0.82 0.06 -0.39 7.02 3.32 -2.05 -2.16 116.42 121.40 2dd4 h ASP 26 Ca -0.44 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 2dd4 h ASP 26 Cb 1.31 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2dd4 h ASP 26 CO 0.59 0.23 -0.22 -0.26 -1.72 0.00 0.00 179.24 177.86 2dd4 h PHE 27 N 0.06 0.97 -0.20 4.55 0.04 -1.99 -1.87 116.94 118.50 2dd4 h PHE 27 Ca 0.01 -0.25 -0.13 0.00 2.80 0.00 0.00 57.97 60.40 2dd4 h PHE 27 Cb 0.33 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2dd4 h PHE 27 CO 0.00 1.02 -0.43 0.93 -0.60 0.00 0.00 178.31 179.24 2dd4 h GLU 28 N 0.64 0.49 -0.10 1.51 5.08 -1.84 0.23 114.58 120.59 2dd4 h GLU 28 Ca 0.08 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2dd4 h GLU 28 Cb 0.78 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2dd4 h GLU 28 CO 0.06 0.83 0.04 0.82 -1.00 0.00 0.00 179.01 179.76 2dd4 h ILE 29 N 0.40 1.15 -0.33 3.13 1.08 -1.32 -2.05 117.51 119.57 2dd4 h ILE 29 Ca 0.03 -0.45 -0.11 0.00 -0.39 0.00 0.00 64.86 63.94 2dd4 h ILE 29 Cb 0.91 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 2dd4 h ILE 29 CO 0.08 0.13 -0.24 0.25 -0.69 0.00 0.00 178.15 177.68 2dd4 h LEU 30 N 0.00 0.67 -0.48 1.44 5.85 -1.20 -1.83 115.31 119.77 2dd4 h LEU 30 Ca 0.03 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2dd4 h LEU 30 Cb 0.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2dd4 h LEU 30 CO -0.00 0.89 0.26 -0.08 -0.34 0.00 0.00 178.44 179.17 2dd4 h GLU 31 N 0.58 0.67 -0.37 1.25 4.22 -0.84 0.47 114.58 120.56 2dd4 h GLU 31 Ca 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2dd4 h GLU 31 Cb 0.72 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2dd4 h GLU 31 CO 0.06 0.53 0.18 0.52 -2.18 0.00 0.00 179.01 178.12 2dd4 h MET 32 N 0.63 0.53 -0.25 1.92 2.86 -1.22 -1.01 114.93 118.39 2dd4 h MET 32 Ca 0.17 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2dd4 h MET 32 Cb 0.06 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2dd4 h MET 32 CO -0.03 0.47 0.11 0.00 1.06 0.00 0.00 176.91 178.53 2dd4 h ALA 33 N 1.03 0.29 -0.40 6.32 0.00 -0.97 -1.11 119.26 124.42 2dd4 h ALA 33 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2dd4 h ALA 33 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2dd4 h ALA 33 CO -0.02 -0.29 0.12 0.28 0.00 0.00 0.00 179.25 179.35 2dd4 h VAL 34 N 0.25 1.22 -0.25 0.00 2.07 -0.77 -1.64 116.25 117.12 2dd4 h VAL 34 Ca 0.10 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2dd4 h VAL 34 Cb 0.04 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2dd4 h VAL 34 CO -0.08 0.25 0.12 -0.09 0.02 0.00 0.00 177.57 177.79 2dd4 h ARG 35 N 0.50 0.36 -0.66 1.57 2.43 -1.01 -0.75 114.38 116.82 2dd4 h ARG 35 Ca 0.13 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2dd4 h ARG 35 Cb 0.27 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2dd4 h ARG 35 CO -0.00 0.37 0.16 0.93 -1.51 0.00 0.00 179.97 179.92 2dd4 h GLU 36 N 0.27 1.06 -0.37 0.20 5.08 -1.17 -1.93 114.58 117.71 2dd4 h GLU 36 Ca 0.09 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2dd4 h GLU 36 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dd4 h GLU 36 CO -0.01 0.95 0.20 -0.07 -1.00 0.00 0.00 179.01 179.07 2dd4 h LEU 37 N 0.99 0.46 -0.40 1.33 4.07 -1.14 0.28 115.31 120.91 2dd4 h LEU 37 Ca 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2dd4 h LEU 37 Cb 0.36 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2dd4 h LEU 37 CO 0.00 0.43 0.26 0.00 -1.08 0.00 0.00 178.44 178.04 2dd4 h ALA 38 N 1.06 0.51 -0.34 1.53 0.00 -0.97 -0.69 119.26 120.36 2dd4 h ALA 38 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2dd4 h ALA 38 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2dd4 h ALA 38 CO -0.02 -0.03 -0.15 0.82 0.00 0.00 0.00 179.25 179.87 2dd4 h ILE 39 N 0.54 1.29 -0.90 0.00 2.04 -1.17 -0.03 117.51 119.27 2dd4 h ILE 39 Ca 0.15 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.79 2dd4 h ILE 39 Cb -0.04 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 2dd4 h ILE 39 CO -0.03 0.41 0.58 -0.33 0.00 0.00 0.00 178.15 178.78 2dd4 h GLU 40 N 0.48 1.07 0.00 2.37 5.08 -0.21 -1.03 114.58 122.33 2dd4 h GLU 40 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dd4 h GLU 40 Cb 0.69 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dd4 h GLU 40 CO 0.05 0.71 0.00 1.63 -1.00 0.00 0.00 179.01 180.39 2dd4 n LYS 41 N -4.54 0.43 -1.56 2.33 4.76 -0.29 -4.91 118.16 114.39 2dd4 n LYS 41 Ca 0.12 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.52 2dd4 n LYS 41 Cb 0.12 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 2dd4 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dd4 n GLY 42 N 1.27 0.48 0.20 0.72 0.00 -0.39 -4.93 105.19 102.54 2dd4 n GLY 42 Ca 0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2dd4 n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dd4 h LEU 43 N 0.00 0.59 -7.17 0.99 3.38 -1.24 -3.46 115.31 108.40 2dd4 h LEU 43 Ca -0.10 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2dd4 h LEU 43 Cb 0.65 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2dd4 h LEU 43 CO 0.13 1.08 0.15 0.72 0.09 0.00 0.00 178.44 180.61 2dd4 s PHE 44 N -3.82 -0.43 0.32 1.13 -0.12 -1.24 -5.05 117.98 108.76 2dd4 s PHE 44 Ca -0.07 0.18 0.06 0.00 -0.05 0.00 0.00 56.93 57.05 2dd4 s PHE 44 Cb 0.11 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 2dd4 s PHE 44 CO 0.85 -0.85 0.45 -1.54 -0.05 0.00 0.00 175.22 174.08 2dd4 s SER 45 N -2.78 6.03 0.30 1.98 1.04 -1.26 -4.02 113.70 115.00 2dd4 s SER 45 Ca 0.02 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 2dd4 s SER 45 Cb -0.01 -1.35 0.48 0.00 0.10 0.00 0.00 66.02 65.23 2dd4 s SER 45 CO -0.11 -0.37 1.93 0.00 0.98 0.00 0.00 173.24 175.67 2dd4 h ALA 46 N 0.93 1.46 -0.55 5.32 0.00 -1.97 -0.90 119.26 123.55 2dd4 h ALA 46 Ca -0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2dd4 h ALA 46 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2dd4 h ALA 46 CO 0.54 0.45 0.20 1.49 0.00 0.00 0.00 179.25 181.93 2dd4 h GLU 47 N 1.09 0.83 -0.35 0.00 4.57 -1.99 -1.02 114.58 117.71 2dd4 h GLU 47 Ca 0.36 -0.16 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 2dd4 h GLU 47 Cb 0.05 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 2dd4 h GLU 47 CO -0.11 0.74 -0.00 -0.44 -1.18 0.00 0.00 179.01 178.01 2dd4 h ASP 48 N 0.75 -0.14 -0.22 1.04 3.32 -1.58 0.42 116.42 120.01 2dd4 h ASP 48 Ca 0.18 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.32 2dd4 h ASP 48 Cb 0.23 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2dd4 h ASP 48 CO -0.01 -0.04 0.12 -0.74 -1.72 0.00 0.00 179.24 176.86 2dd4 h HIS 49 N 0.10 0.23 -0.44 4.55 2.76 -1.03 -0.54 115.15 120.78 2dd4 h HIS 49 Ca 0.17 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2dd4 h HIS 49 Cb 0.23 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 2dd4 h HIS 49 CO -0.25 0.14 0.25 0.00 -1.30 0.00 0.00 177.93 176.78 2dd4 h ARG 50 N 0.26 0.61 -0.97 5.26 3.08 -0.54 -1.42 114.38 120.65 2dd4 h ARG 50 Ca 0.08 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.12 2dd4 h ARG 50 Cb -0.00 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 2dd4 h ARG 50 CO -0.04 0.47 0.63 0.28 -1.07 0.00 0.00 179.97 180.25 2dd4 h VAL 51 N 0.59 1.13 -0.20 2.04 2.07 0.16 -0.81 116.25 121.22 2dd4 h VAL 51 Ca 0.16 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 2dd4 h VAL 51 Cb 0.03 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 2dd4 h VAL 51 CO -0.03 0.21 -0.41 -0.25 0.02 0.00 0.00 177.57 177.11 2dd4 h TRP 52 N 1.18 0.81 -0.79 1.57 2.91 -0.63 -1.43 115.95 119.56 2dd4 h TRP 52 Ca 0.40 -0.29 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 2dd4 h TRP 52 Cb 0.09 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.55 2dd4 h TRP 52 CO -0.00 1.06 0.45 0.87 -1.03 0.00 0.00 178.44 179.79 2dd4 h LYS 53 N 0.32 1.08 -0.53 2.65 1.57 -0.99 -0.21 116.57 120.47 2dd4 h LYS 53 Ca 0.01 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2dd4 h LYS 53 Cb 1.02 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2dd4 h LYS 53 CO 0.09 0.77 0.02 -0.44 -0.57 0.00 0.00 179.45 179.33 2dd4 h ASP 54 N 1.09 0.91 -0.11 0.86 3.32 -1.04 -0.95 116.42 120.50 2dd4 h ASP 54 Ca 0.28 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2dd4 h ASP 54 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2dd4 h ASP 54 CO -0.05 0.98 0.06 0.22 -1.72 0.00 0.00 179.24 178.73 2dd4 h TYR 55 N 0.81 0.14 -0.66 4.55 3.20 -0.63 -2.68 116.97 121.70 2dd4 h TYR 55 Ca 0.15 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.08 2dd4 h TYR 55 Cb 0.50 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2dd4 h TYR 55 CO 0.04 0.15 0.37 0.28 -1.64 0.00 0.00 178.16 177.36 2dd4 h VAL 56 N 0.09 0.98 -0.42 1.81 2.07 -0.91 -1.60 116.25 118.28 2dd4 h VAL 56 Ca 0.04 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.44 2dd4 h VAL 56 Cb 0.05 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2dd4 h VAL 56 CO -0.01 0.13 0.30 -0.74 0.02 0.00 0.00 177.57 177.27 2dd4 h HIS 57 N 0.69 0.02 0.00 1.57 -0.00 -0.86 -0.89 115.15 115.69 2dd4 h HIS 57 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 2dd4 h HIS 57 Cb 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2dd4 h HIS 57 CO -0.08 0.01 0.00 1.79 -0.00 0.00 0.00 177.93 179.66 2dd4 h THR 58 N 0.02 0.00 -3.97 6.26 1.35 -1.00 -3.46 112.91 112.10 2dd4 h THR 58 Ca 0.20 -0.91 -0.52 0.00 -0.55 0.00 0.00 66.41 64.63 2dd4 h THR 58 Cb 0.76 1.91 0.08 0.00 -1.73 0.00 0.00 68.15 69.17 2dd4 h THR 58 CO -0.01 0.00 0.57 -0.76 -0.25 0.00 0.00 175.52 175.08 2dd4 s LEU 59 N -5.96 4.11 0.09 3.87 1.43 -0.34 -5.02 118.68 116.87 2dd4 s LEU 59 Ca 0.07 2.57 -0.26 0.00 -1.03 0.00 0.00 54.13 55.48 2dd4 s LEU 59 Cb 0.06 -4.04 0.09 0.00 0.03 0.00 0.00 46.19 42.33 2dd4 s LEU 59 CO 0.65 -0.96 1.14 -0.83 0.23 0.00 0.00 176.35 176.58 2dd4 s GLY 60 N -0.94 -0.11 0.47 -3.19 0.00 -1.26 -4.68 107.32 97.60 2dd4 s GLY 60 Ca 0.61 0.05 0.26 0.00 0.00 0.00 0.00 44.72 45.64 2dd4 s GLY 60 CO 0.45 2.26 1.74 -2.55 0.00 0.00 0.00 173.10 174.99 2dd4 h PRO 61 N 2.00 0.00 -0.72 2.90 0.11 -1.71 -3.24 132.00 131.33 2dd4 h PRO 61 Ca -0.26 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.99 2dd4 h PRO 61 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 2dd4 h PRO 61 CO 0.31 0.02 -0.22 1.25 -0.21 0.00 0.00 178.00 179.16 2dd4 h LEU 62 N 0.00 -0.80 -0.55 2.35 5.85 -1.89 -0.86 115.31 119.41 2dd4 h LEU 62 Ca -0.00 0.23 0.07 0.00 0.84 0.00 0.00 57.88 59.02 2dd4 h LEU 62 Cb 0.84 0.49 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 2dd4 h LEU 62 CO 0.00 -0.26 0.22 -0.65 -0.34 0.00 0.00 178.44 177.41 2dd4 h PRO 63 N -0.03 0.40 -0.68 5.25 0.11 -1.76 -0.33 132.00 134.96 2dd4 h PRO 63 Ca 0.33 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.34 2dd4 h PRO 63 Cb 0.55 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2dd4 h PRO 63 CO -0.76 0.27 0.13 0.00 -0.21 0.00 0.00 178.00 177.42 2dd4 h ALA 64 N 1.35 0.93 -0.37 -0.75 0.00 -1.21 -1.20 119.26 118.00 2dd4 h ALA 64 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dd4 h ALA 64 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2dd4 h ALA 64 CO -0.25 0.67 0.22 0.00 0.00 0.00 0.00 179.25 179.89 2dd4 h ALA 65 N 1.07 0.48 -0.67 0.00 0.00 -0.50 -1.89 119.26 117.75 2dd4 h ALA 65 Ca 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2dd4 h ALA 65 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2dd4 h ALA 65 CO 0.01 -0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.50 2dd4 h ARG 66 N 0.48 0.99 -0.72 0.00 3.08 -0.84 -1.05 114.38 116.33 2dd4 h ARG 66 Ca 0.13 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2dd4 h ARG 66 Cb 0.03 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 2dd4 h ARG 66 CO -0.02 0.82 0.45 1.25 -1.07 0.00 0.00 179.97 181.40 2dd4 h LEU 67 N 0.97 0.75 -0.02 3.04 6.46 -0.69 0.18 115.31 126.00 2dd4 h LEU 67 Ca 0.22 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2dd4 h LEU 67 Cb 0.21 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2dd4 h LEU 67 CO -0.02 0.52 0.00 0.58 -0.62 0.00 0.00 178.44 178.91 2dd4 h VAL 68 N 0.89 1.18 -0.68 1.05 2.07 -0.78 -1.30 116.25 118.68 2dd4 h VAL 68 Ca 0.29 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.35 2dd4 h VAL 68 Cb 0.01 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2dd4 h VAL 68 CO -0.11 0.14 0.35 0.00 0.02 0.00 0.00 177.57 177.98 2dd4 h ALA 69 N 0.79 0.91 -0.78 1.67 0.00 -0.75 -0.87 119.26 120.24 2dd4 h ALA 69 Ca 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2dd4 h ALA 69 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2dd4 h ALA 69 CO -0.00 -0.00 0.34 0.87 0.00 0.00 0.00 179.25 180.46 2dd4 h LYS 70 N 0.63 1.14 -0.73 0.00 1.57 -0.52 -2.54 116.57 116.13 2dd4 h LYS 70 Ca 0.32 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2dd4 h LYS 70 Cb 0.26 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2dd4 h LYS 70 CO -0.22 0.90 0.25 0.00 -0.57 0.00 0.00 179.45 179.81 2dd4 h ALA 71 N 1.18 1.06 -0.10 3.86 0.00 -0.33 -0.01 119.26 124.92 2dd4 h ALA 71 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2dd4 h ALA 71 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2dd4 h ALA 71 CO -0.03 0.64 -0.05 -1.49 0.00 0.00 0.00 179.25 178.33 2dd4 h TRP 72 N 1.07 0.15 -0.00 0.00 6.55 -0.79 -2.91 115.95 120.02 2dd4 h TRP 72 Ca 0.24 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.07 2dd4 h TRP 72 Cb 0.27 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 2dd4 h TRP 72 CO 0.02 0.21 -0.87 1.28 -1.05 0.00 0.00 178.44 178.02 2dd4 n LEU 73 N -4.39 0.89 -3.65 -4.49 4.77 -0.87 -4.81 117.00 104.45 2dd4 n LEU 73 Ca -0.01 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.29 2dd4 n LEU 73 Cb 0.18 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 2dd4 n LEU 73 CO 0.36 0.22 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.70 2dd4 s ASP 74 N -3.00 3.78 0.37 -1.43 -1.08 -0.07 -5.01 116.67 110.24 2dd4 s ASP 74 Ca 0.09 -1.61 0.15 0.00 -0.52 0.00 0.00 52.55 50.66 2dd4 s ASP 74 Cb 0.16 -0.67 1.01 0.00 -1.46 0.00 0.00 42.92 41.97 2dd4 s ASP 74 CO 0.83 -0.41 1.78 -0.65 0.52 0.00 0.00 175.17 177.23 2dd4 h PRO 75 N 8.05 0.47 -0.34 4.34 0.11 -1.87 -0.33 132.00 142.43 2dd4 h PRO 75 Ca -0.14 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.81 2dd4 h PRO 75 Cb 1.01 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2dd4 h PRO 75 CO 0.45 0.31 -0.33 1.49 -0.21 0.00 0.00 178.00 179.71 2dd4 h GLU 76 N 0.48 0.82 -0.35 1.05 4.81 -1.95 -2.55 114.58 116.89 2dd4 h GLU 76 Ca 0.58 -0.43 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2dd4 h GLU 76 Cb 1.33 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2dd4 h GLU 76 CO -0.32 1.06 -0.25 -0.92 -0.73 0.00 0.00 179.01 177.85 2dd4 h TYR 77 N 0.60 0.81 -0.43 0.92 3.20 -1.47 -2.35 116.97 118.25 2dd4 h TYR 77 Ca 0.05 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2dd4 h TYR 77 Cb 0.91 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2dd4 h TYR 77 CO 0.07 0.89 0.27 -0.22 -1.64 0.00 0.00 178.16 177.53 2dd4 h LYS 78 N 0.62 0.57 -0.74 1.82 3.64 -1.06 0.25 116.57 121.67 2dd4 h LYS 78 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2dd4 h LYS 78 Cb 0.75 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2dd4 h LYS 78 CO 0.06 0.40 0.47 0.87 -2.27 0.00 0.00 179.45 178.97 2dd4 h LYS 79 N 0.57 0.99 -0.59 1.90 1.57 -1.29 -1.04 116.57 118.69 2dd4 h LYS 79 Ca 0.16 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2dd4 h LYS 79 Cb -0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 2dd4 h LYS 79 CO -0.03 0.68 -0.01 1.25 -0.57 0.00 0.00 179.45 180.76 2dd4 h LEU 80 N 1.01 1.03 -0.08 2.94 5.85 -0.81 -1.45 115.31 123.80 2dd4 h LEU 80 Ca 0.27 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2dd4 h LEU 80 Cb -0.08 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.67 2dd4 h LEU 80 CO -0.05 1.09 0.05 0.00 -0.34 0.00 0.00 178.44 179.18 2dd4 h ILE 82 N 0.10 1.20 0.06 0.00 2.04 -1.10 -3.05 117.51 116.77 2dd4 h ILE 82 Ca 0.03 -0.69 -0.34 0.00 1.00 0.00 0.00 64.86 64.87 2dd4 h ILE 82 Cb -0.01 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2dd4 h ILE 82 CO -0.01 0.26 -1.91 1.21 0.00 0.00 0.00 178.15 177.70 2dd4 n GLU 83 N -4.31 0.70 -3.28 2.37 4.07 -0.56 -4.74 120.64 114.89 2dd4 n GLU 83 Ca 0.04 0.26 -0.23 0.00 -0.06 0.00 0.00 57.16 57.17 2dd4 n GLU 83 Cb 0.19 -1.73 -0.08 0.00 -0.06 0.00 0.00 31.44 29.76 2dd4 n GLU 83 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2dd4 n ASP 84 N -3.25 -0.99 -0.31 4.31 -0.08 0.19 -4.99 116.55 111.43 2dd4 n ASP 84 Ca -0.26 -2.48 0.12 0.00 -1.51 0.00 0.00 54.79 50.66 2dd4 n ASP 84 Cb 1.05 -0.15 0.35 0.00 2.34 0.00 0.00 41.12 44.71 2dd4 n ASP 84 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2dd4 h GLY 85 N 5.47 1.40 0.99 0.27 0.00 -1.54 -1.62 103.07 108.04 2dd4 h GLY 85 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2dd4 h GLY 85 CO 0.31 0.06 0.28 -2.08 0.00 0.00 0.00 176.54 175.12 2dd4 h VAL 86 N 0.75 1.14 -0.29 4.60 2.07 -1.89 -0.92 116.25 121.70 2dd4 h VAL 86 Ca 0.49 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 2dd4 h VAL 86 Cb 0.76 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2dd4 h VAL 86 CO -0.26 0.14 -0.07 -0.08 0.02 0.00 0.00 177.57 177.32 2dd4 h GLU 87 N 0.61 0.57 -0.52 1.57 4.57 -1.71 -3.08 114.58 116.59 2dd4 h GLU 87 Ca 0.17 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2dd4 h GLU 87 Cb -0.02 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2dd4 h GLU 87 CO -0.03 0.77 0.24 0.00 -1.18 0.00 0.00 179.01 178.80 2dd4 h ALA 88 N 0.78 1.43 -0.31 2.92 0.00 -1.17 -2.63 119.26 120.28 2dd4 h ALA 88 Ca 0.07 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2dd4 h ALA 88 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dd4 h ALA 88 CO 0.03 0.44 0.22 1.03 0.00 0.00 0.00 179.25 180.98 2dd4 h SER 89 N 0.74 0.04 -0.57 0.00 0.87 -1.07 -1.16 113.55 112.40 2dd4 h SER 89 Ca 0.18 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2dd4 h SER 89 Cb 0.10 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2dd4 h SER 89 CO -0.02 0.03 0.33 0.11 -0.53 0.00 0.00 176.83 176.74 2dd4 h LYS 90 N 0.04 0.79 0.00 2.24 1.57 -1.42 -2.06 116.57 117.73 2dd4 h LYS 90 Ca 0.15 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dd4 h LYS 90 Cb 0.53 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dd4 h LYS 90 CO -0.01 0.58 0.09 0.00 -0.57 0.00 0.00 179.45 179.53 2dd4 h ALA 91 N 1.56 1.08 -0.16 3.86 0.00 -1.35 -0.84 119.26 123.40 2dd4 h ALA 91 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2dd4 h ALA 91 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dd4 h ALA 91 CO -0.04 -0.08 -0.00 1.33 0.00 0.00 0.00 179.25 180.46 2dd4 n VAL 92 N -2.85 2.15 -0.79 0.00 0.24 -0.81 -4.98 118.33 111.29 2dd4 n VAL 92 Ca -0.02 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 2dd4 n VAL 92 Cb 0.14 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 2dd4 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dd4 n GLY 93 N -0.86 0.83 3.22 7.63 0.00 -0.32 -4.85 105.19 110.84 2dd4 n GLY 93 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2dd4 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dd4 s VAL 94 N -3.22 3.45 -0.41 1.61 1.01 -1.01 -5.00 120.40 116.83 2dd4 s VAL 94 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 2dd4 s VAL 94 Cb 0.00 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.39 2dd4 s VAL 94 CO 0.00 -0.24 0.27 0.21 0.00 0.00 0.00 175.10 175.35 2dd4 s ASN 95 N 1.45 5.90 0.65 3.32 3.84 -1.26 -3.19 114.94 125.66 2dd4 s ASN 95 Ca -0.01 -1.09 0.34 0.00 0.21 0.00 0.00 52.86 52.30 2dd4 s ASN 95 Cb -0.20 -2.09 1.85 0.00 -0.55 0.00 0.00 41.25 40.26 2dd4 s ASN 95 CO 0.00 -0.47 2.07 -0.50 -2.79 0.00 0.00 177.10 175.41 2dd4 h TRP 96 N 8.54 0.00 0.00 0.43 4.06 -1.95 0.16 115.95 127.19 2dd4 h TRP 96 Ca -0.26 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.38 2dd4 h TRP 96 Cb 1.11 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.22 2dd4 h TRP 96 CO 0.58 0.00 -1.72 0.28 -3.56 0.00 0.00 178.44 174.02 2dd4 n VAL 97 N -3.11 1.53 0.06 1.49 0.31 -1.26 -3.48 118.33 113.86 2dd4 n VAL 97 Ca -0.01 -0.15 0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2dd4 n VAL 97 Cb 0.30 -2.00 -0.07 0.00 -0.91 0.00 0.00 33.84 31.17 2dd4 n VAL 97 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2dd4 n THR 98 N -4.37 0.51 -0.10 2.52 -2.24 -1.09 -1.83 114.28 107.68 2dd4 n THR 98 Ca -0.40 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 60.72 2dd4 n THR 98 Cb 0.74 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2dd4 n THR 98 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dd4 h SER 99 N 0.00 0.47 -4.14 3.42 0.02 -0.97 -3.43 113.55 108.92 2dd4 h SER 99 Ca -0.03 -0.23 -0.54 0.00 -0.84 0.00 0.00 61.79 60.15 2dd4 h SER 99 Cb 1.10 -0.12 0.14 0.00 0.14 0.00 0.00 62.40 63.65 2dd4 h SER 99 CO 0.01 0.58 0.45 -2.84 -1.14 0.00 0.00 176.83 173.88 2dd4 s PRO 100 N -5.30 2.53 0.56 3.45 0.02 -1.26 -4.89 135.00 130.10 2dd4 s PRO 100 Ca -0.13 1.84 0.27 0.00 0.02 0.00 0.00 61.00 63.00 2dd4 s PRO 100 Cb 0.09 -1.87 1.49 0.00 0.02 0.00 0.00 34.50 34.22 2dd4 s PRO 100 CO 0.75 -1.55 1.99 -1.35 -0.33 0.00 0.00 177.00 176.50 2dd4 h PRO 101 N 0.29 0.00 -0.07 5.54 0.11 -1.93 -2.36 132.00 133.58 2dd4 h PRO 101 Ca -0.49 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2dd4 h PRO 101 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2dd4 h PRO 101 CO 0.52 0.00 -0.67 1.79 -0.21 0.00 0.00 178.00 179.44 2dd4 h THR 102 N 0.00 1.40 -0.85 -1.15 1.35 -1.90 -3.47 112.91 108.28 2dd4 h THR 102 Ca 0.21 -2.10 -0.16 0.00 -0.55 0.00 0.00 66.41 63.81 2dd4 h THR 102 Cb 0.96 2.08 -0.03 0.00 -1.73 0.00 0.00 68.15 69.43 2dd4 h THR 102 CO -0.00 0.62 -0.18 1.67 -0.25 0.00 0.00 175.52 177.38 2dd4 n GLN 103 N -3.84 -0.61 -0.83 4.72 7.27 -0.89 -4.83 117.38 118.38 2dd4 n GLN 103 Ca -0.03 0.54 -0.00 0.00 0.07 0.00 0.00 57.00 57.58 2dd4 n GLN 103 Cb 0.66 -4.44 -0.01 0.00 2.41 0.00 0.00 30.24 28.86 2dd4 n GLN 103 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 2dd4 n PHE 104 N -3.53 0.00 0.00 3.69 1.16 -0.76 -4.66 117.46 113.36 2dd4 n PHE 104 Ca -0.09 -0.20 0.00 0.00 -1.87 0.00 0.00 57.45 55.29 2dd4 n PHE 104 Cb 0.45 0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 2dd4 n PHE 104 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2dd4 n GLY 105 N 0.12 -2.01 3.76 4.97 0.00 -0.81 -4.86 105.19 106.36 2dd4 n GLY 105 Ca -0.03 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 2dd4 n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dd4 s THR 106 N -3.16 2.53 0.39 2.61 -4.23 -1.26 -4.71 115.64 107.81 2dd4 s THR 106 Ca 0.00 0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2dd4 s THR 106 Cb 0.00 -3.20 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2dd4 s THR 106 CO 0.00 -0.01 2.01 -0.65 -0.54 0.00 0.00 174.62 175.43 2dd4 h PRO 107 N 1.65 0.62 0.00 3.99 0.11 -1.95 -2.63 132.00 133.79 2dd4 h PRO 107 Ca -0.50 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2dd4 h PRO 107 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2dd4 h PRO 107 CO 0.58 0.41 -1.69 0.43 -0.21 0.00 0.00 178.00 177.52 2dd4 n SER 108 N -4.47 0.41 0.01 -2.05 7.64 -1.26 -4.37 113.62 109.53 2dd4 n SER 108 Ca 0.07 0.17 0.11 0.00 1.01 0.00 0.00 58.87 60.22 2dd4 n SER 108 Cb 0.15 1.04 -0.07 0.00 -1.01 0.00 0.00 64.21 64.32 2dd4 n SER 108 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dd4 n ASP 109 N -2.59 0.57 -0.66 6.43 8.00 -1.22 -4.94 116.55 122.14 2dd4 n ASP 109 Ca -0.09 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2dd4 n ASP 109 Cb 0.72 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.98 2dd4 n ASP 109 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2dd4 n TYR 110 N -1.92 -1.66 -2.52 1.24 4.01 -0.99 -4.56 117.16 110.75 2dd4 n TYR 110 Ca 0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 2dd4 n TYR 110 Cb 0.44 0.26 0.01 0.00 -0.31 0.00 0.00 39.34 39.75 2dd4 n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dd4 n ASN 112 N -0.36 0.73 -4.73 0.00 5.15 -1.26 -4.94 115.26 109.84 2dd4 n ASN 112 Ca 0.28 -2.82 -0.41 0.00 -0.60 0.00 0.00 54.58 51.03 2dd4 n ASN 112 Cb 0.74 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 2dd4 n ASN 112 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dd4 s LEU 113 N -1.44 4.49 -0.00 1.20 2.96 -1.26 -2.43 118.68 122.20 2dd4 s LEU 113 Ca 0.36 1.92 0.07 0.00 -0.22 0.00 0.00 54.13 56.26 2dd4 s LEU 113 Cb 0.18 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 2dd4 s LEU 113 CO -0.10 -0.15 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.43 2dd4 s ARG 114 N -0.07 1.73 -0.23 1.98 0.52 -0.07 -3.13 118.95 119.68 2dd4 s ARG 114 Ca 0.49 -0.83 -0.07 0.00 -0.52 0.00 0.00 55.73 54.80 2dd4 s ARG 114 Cb -0.26 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 2dd4 s ARG 114 CO 0.32 0.46 0.05 0.08 0.02 0.00 0.00 175.30 176.23 2dd4 s VAL 115 N -0.57 4.23 -0.33 3.52 1.01 -1.25 -2.90 120.40 124.10 2dd4 s VAL 115 Ca 0.09 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 2dd4 s VAL 115 Cb -0.09 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2dd4 s VAL 115 CO -0.00 0.37 0.49 -0.76 0.00 0.00 0.00 175.10 175.20 2dd4 s LEU 116 N 1.36 4.31 -0.35 3.92 1.43 -0.70 -4.46 118.68 124.19 2dd4 s LEU 116 Ca 0.05 0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 2dd4 s LEU 116 Cb -0.15 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.51 2dd4 s LEU 116 CO 0.03 -0.43 0.46 0.00 0.23 0.00 0.00 176.35 176.64 2dd4 s ALA 117 N 2.32 3.48 0.91 4.21 0.00 -1.26 0.03 121.76 131.45 2dd4 s ALA 117 Ca 0.18 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 2dd4 s ALA 117 Cb -0.16 -2.96 0.14 0.00 0.00 0.00 0.00 23.12 20.14 2dd4 s ALA 117 CO 0.12 -1.20 1.09 -0.51 0.00 0.00 0.00 175.76 175.27 2dd4 s ASP 118 N 1.76 3.33 0.35 0.00 1.01 0.01 -4.93 116.67 118.19 2dd4 s ASP 118 Ca 0.16 1.47 -0.11 0.00 0.71 0.00 0.00 52.55 54.78 2dd4 s ASP 118 Cb -0.16 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.65 2dd4 s ASP 118 CO 0.13 -2.73 0.63 -0.94 0.21 0.00 0.00 175.17 172.47 2dd4 s SER 119 N -3.39 0.31 0.25 0.27 1.04 0.75 -4.58 113.70 108.36 2dd4 s SER 119 Ca 0.64 -1.21 0.18 0.00 0.48 0.00 0.00 55.95 56.04 2dd4 s SER 119 Cb -0.18 0.74 0.93 0.00 0.10 0.00 0.00 66.02 67.61 2dd4 s SER 119 CO 0.57 -1.46 1.54 -2.65 0.98 0.00 0.00 173.24 172.23 2dd4 n PRO 120 N -0.52 0.12 -0.04 4.02 -0.02 -1.26 -2.15 135.00 135.15 2dd4 n PRO 120 Ca -0.04 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 2dd4 n PRO 120 Cb 0.61 -1.86 0.02 0.00 -0.02 0.00 0.00 33.50 32.25 2dd4 n PRO 120 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2dd4 n THR 121 N -2.10 0.87 -3.71 3.45 -2.24 -1.26 -4.89 114.28 104.40 2dd4 n THR 121 Ca -0.01 -0.92 -0.11 0.00 -2.27 0.00 0.00 64.05 60.74 2dd4 n THR 121 Cb 0.05 0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 68.66 2dd4 n THR 121 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2dd4 s LEU 122 N -1.02 0.12 -0.04 3.22 2.96 -0.91 -1.16 118.68 121.86 2dd4 s LEU 122 Ca 0.05 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2dd4 s LEU 122 Cb 0.04 1.08 0.03 0.00 0.50 0.00 0.00 46.19 47.84 2dd4 s LEU 122 CO 0.00 -0.18 0.02 -0.75 -1.32 0.00 0.00 176.35 174.13 2dd4 s LYS 123 N 1.35 0.20 0.17 1.98 2.36 -0.03 -0.18 119.74 125.59 2dd4 s LYS 123 Ca -0.09 0.19 0.03 0.00 -2.55 0.00 0.00 55.97 53.55 2dd4 s LYS 123 Cb -0.09 -0.55 -0.03 0.00 -1.05 0.00 0.00 37.83 36.10 2dd4 s LYS 123 CO -0.11 -0.23 0.29 -1.01 1.55 0.00 0.00 175.35 175.83 2dd4 s HIS 124 N 1.56 3.45 -0.12 4.03 3.76 -1.26 -0.92 115.29 125.79 2dd4 s HIS 124 Ca -0.02 0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 54.88 2dd4 s HIS 124 Cb -0.13 -1.64 0.04 0.00 1.11 0.00 0.00 32.58 31.96 2dd4 s HIS 124 CO -0.03 0.50 0.31 0.54 -0.85 0.00 0.00 174.74 175.21 2dd4 s VAL 125 N -1.79 -0.01 0.07 -0.90 0.11 -0.88 -4.49 120.40 112.50 2dd4 s VAL 125 Ca 0.34 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.49 2dd4 s VAL 125 Cb -0.11 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2dd4 s VAL 125 CO 0.28 0.02 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.34 2dd4 s VAL 126 N 0.60 3.76 0.20 2.04 1.01 0.27 -1.34 120.40 126.94 2dd4 s VAL 126 Ca -0.04 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 2dd4 s VAL 126 Cb -0.05 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2dd4 s VAL 126 CO -0.04 0.20 0.54 0.54 0.00 0.00 0.00 175.10 176.34 2dd4 s VAL 127 N -1.19 0.02 -0.38 2.92 0.11 -0.64 -4.92 120.40 116.32 2dd4 s VAL 127 Ca 0.22 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 2dd4 s VAL 127 Cb -0.11 -1.56 0.12 0.00 -1.53 0.00 0.00 36.38 33.31 2dd4 s VAL 127 CO 0.14 -0.10 0.19 0.00 -3.33 0.00 0.00 175.10 171.99 2dd4 h THR 129 N 5.63 1.03 0.00 0.00 1.35 -1.85 -2.53 112.91 116.54 2dd4 h THR 129 Ca -0.04 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2dd4 h THR 129 Cb 0.96 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2dd4 h THR 129 CO 0.45 0.04 0.00 -0.07 -0.25 0.00 0.00 175.52 175.69 2dd4 h LEU 130 N 0.23 0.00 0.00 3.87 3.38 -1.91 -3.47 115.31 117.42 2dd4 h LEU 130 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dd4 h LEU 130 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2dd4 h LEU 130 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 2dd4 n SER 132 N 0.00 1.08 -4.62 0.00 3.41 -1.26 -4.58 113.62 107.64 2dd4 n SER 132 Ca 0.00 -2.05 -0.49 0.00 -0.26 0.00 0.00 58.87 56.07 2dd4 n SER 132 Cb 0.00 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 2dd4 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dd4 s TYR 134 N 0.54 -0.14 -1.35 0.00 5.04 -1.26 -4.67 117.35 115.51 2dd4 s TYR 134 Ca 0.80 0.27 -0.10 0.00 -2.44 0.00 0.00 57.07 55.60 2dd4 s TYR 134 Cb -0.82 0.05 -0.07 0.00 0.35 0.00 0.00 41.96 41.47 2dd4 s TYR 134 CO 0.44 -0.28 2.55 -0.35 -1.34 0.00 0.00 175.55 176.58 2dd4 n PRO 135 N 1.85 2.98 -0.23 4.97 -0.04 -1.26 -4.78 135.00 138.50 2dd4 n PRO 135 Ca -0.19 -2.02 0.02 0.00 -0.04 0.00 0.00 63.50 61.28 2dd4 n PRO 135 Cb 0.57 -2.77 0.12 0.00 -0.04 0.00 0.00 33.50 31.37 2dd4 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dd4 h ARG 136 N 5.70 0.09 -0.97 0.54 3.08 -1.94 -0.67 114.38 120.21 2dd4 h ARG 136 Ca 0.70 -0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.96 2dd4 h ARG 136 Cb 0.32 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.27 2dd4 h ARG 136 CO 1.72 0.06 0.63 -1.35 -1.07 0.00 0.00 179.97 179.95 2dd4 h PRO 137 N 0.09 0.45 -0.00 0.04 0.11 -1.86 0.50 132.00 131.33 2dd4 h PRO 137 Ca 0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2dd4 h PRO 137 Cb 0.59 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2dd4 h PRO 137 CO -0.61 0.30 -0.35 1.51 -0.21 0.00 0.00 178.00 178.64 2dd4 n ILE 138 N -4.59 0.00 0.00 4.15 3.06 -0.97 -4.73 119.36 116.28 2dd4 n ILE 138 Ca 0.22 -0.33 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 2dd4 n ILE 138 Cb 0.74 1.08 0.00 0.00 0.54 0.00 0.00 39.64 41.99 2dd4 n ILE 138 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2dd4 n LEU 139 N -0.67 0.00 0.00 9.51 7.94 -0.30 -3.06 117.00 130.42 2dd4 n LEU 139 Ca 0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2dd4 n LEU 139 Cb 0.21 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2dd4 n LEU 139 CO 0.17 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 2dd4 n GLY 140 N 1.89 -1.76 3.80 -3.96 0.00 0.13 -2.55 105.19 102.74 2dd4 n GLY 140 Ca 0.00 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2dd4 n GLY 140 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dd4 s GLN 141 N 0.00 3.71 0.43 1.61 -1.52 -1.26 -4.09 119.66 118.54 2dd4 s GLN 141 Ca 0.00 1.27 -0.22 0.00 -1.95 0.00 0.00 55.36 54.46 2dd4 s GLN 141 Cb 0.00 -2.09 -0.09 0.00 -0.22 0.00 0.00 33.01 30.61 2dd4 s GLN 141 CO 0.00 -0.50 1.03 -1.54 -0.25 0.00 0.00 175.29 174.03 2dd4 s SER 142 N -2.30 6.65 0.64 5.90 1.04 -1.26 -5.03 113.70 119.34 2dd4 s SER 142 Ca 0.65 1.95 -0.16 0.00 0.48 0.00 0.00 55.95 58.87 2dd4 s SER 142 Cb -0.15 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 2dd4 s SER 142 CO 0.25 -0.57 1.15 -2.84 0.98 0.00 0.00 173.24 172.21 2dd4 s PRO 143 N -2.82 2.79 0.18 4.02 0.02 -1.26 -4.94 135.00 132.98 2dd4 s PRO 143 Ca 0.61 1.57 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 2dd4 s PRO 143 Cb -0.18 -1.93 0.12 0.00 0.02 0.00 0.00 34.50 32.52 2dd4 s PRO 143 CO 0.23 -1.29 1.82 1.49 -0.33 0.00 0.00 177.00 178.92 2dd4 h GLU 144 N 0.31 0.66 -0.10 5.54 4.57 -2.00 -2.44 114.58 121.12 2dd4 h GLU 144 Ca -0.48 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 57.61 2dd4 h GLU 144 Cb 1.27 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2dd4 h GLU 144 CO 0.54 0.44 -0.18 0.11 -1.18 0.00 0.00 179.01 178.73 2dd4 h TRP 145 N 0.68 0.16 0.00 0.92 5.08 -1.98 -2.40 115.95 118.42 2dd4 h TRP 145 Ca 0.23 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 60.15 2dd4 h TRP 145 Cb 0.01 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.12 2dd4 h TRP 145 CO -0.06 0.34 -0.14 -0.92 -1.28 0.00 0.00 178.44 176.38 2dd4 h TYR 146 N 0.15 0.00 -0.00 0.12 3.20 -1.81 -2.25 116.97 116.37 2dd4 h TYR 146 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2dd4 h TYR 146 Cb 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2dd4 h TYR 146 CO 0.00 0.14 -0.47 0.54 -1.64 0.00 0.00 178.16 176.74 2dd4 n ARG 147 N -4.07 0.28 -2.12 1.82 1.74 -0.91 -4.72 116.66 108.68 2dd4 n ARG 147 Ca -0.02 -0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.49 2dd4 n ARG 147 Cb 0.23 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 2dd4 n ARG 147 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dd4 s SER 148 N -2.84 6.37 0.41 0.55 1.04 -0.85 -4.90 113.70 113.48 2dd4 s SER 148 Ca 0.15 2.57 0.10 0.00 0.48 0.00 0.00 55.95 59.24 2dd4 s SER 148 Cb 0.18 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.57 2dd4 s SER 148 CO 0.66 -0.80 2.00 -0.65 0.98 0.00 0.00 173.24 175.43 2dd4 h PRO 149 N 2.68 0.53 0.23 4.02 0.11 -1.93 -1.97 132.00 135.67 2dd4 h PRO 149 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2dd4 h PRO 149 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2dd4 h PRO 149 CO 0.63 0.35 -0.13 -0.97 -0.21 0.00 0.00 178.00 177.67 2dd4 h ASN 150 N 0.55 -0.31 -0.75 -2.05 -0.73 -1.91 0.62 115.58 110.99 2dd4 h ASN 150 Ca 0.25 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 2dd4 h ASN 150 Cb 0.28 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.93 2dd4 h ASN 150 CO -0.07 -0.21 0.30 0.22 -0.37 0.00 0.00 177.43 177.30 2dd4 h TYR 151 N -0.34 1.16 0.00 0.67 3.20 -1.72 -1.86 116.97 118.08 2dd4 h TYR 151 Ca -0.02 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 2dd4 h TYR 151 Cb 0.27 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 2dd4 h TYR 151 CO -0.08 0.88 -0.27 0.00 -1.64 0.00 0.00 178.16 177.05 2dd4 h ARG 152 N 1.11 0.00 0.07 1.82 3.08 -1.06 -2.71 114.38 116.69 2dd4 h ARG 152 Ca 0.25 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 2dd4 h ARG 152 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2dd4 h ARG 152 CO -0.02 0.27 -0.85 0.00 -1.07 0.00 0.00 179.97 178.30 2dd4 h ARG 153 N 0.00 0.16 0.12 0.04 3.08 -0.53 -3.42 114.38 113.83 2dd4 h ARG 153 Ca -0.00 -0.27 -0.19 0.00 0.07 0.00 0.00 59.98 59.59 2dd4 h ARG 153 Cb 0.65 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.81 2dd4 h ARG 153 CO 0.04 1.13 -0.88 0.00 -1.07 0.00 0.00 179.97 179.18 2dd4 h ARG 154 N -0.61 0.26 -0.82 0.04 3.08 -1.37 -3.40 114.38 111.56 2dd4 h ARG 154 Ca -0.19 -0.44 0.19 0.00 0.07 0.00 0.00 59.98 59.61 2dd4 h ARG 154 Cb 1.46 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 31.56 2dd4 h ARG 154 CO 0.03 1.21 0.27 1.25 -1.07 0.00 0.00 179.97 181.66 2dd4 h LEU 155 N -0.42 0.15 -1.72 3.04 5.85 -1.72 0.11 115.31 120.59 2dd4 h LEU 155 Ca -0.17 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2dd4 h LEU 155 Cb 1.61 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 2dd4 h LEU 155 CO 0.11 -0.02 -0.15 -0.37 -0.34 0.00 0.00 178.44 177.67 2dd4 h VAL 156 N 0.33 0.59 0.00 1.05 -1.51 -1.83 -2.62 116.25 112.26 2dd4 h VAL 156 Ca 0.48 -0.69 -0.32 0.00 -1.23 0.00 0.00 66.70 64.95 2dd4 h VAL 156 Cb 0.87 1.45 -0.06 0.00 -2.13 0.00 0.00 31.29 31.42 2dd4 h VAL 156 CO -0.52 0.15 -2.21 -1.14 -1.23 0.00 0.00 177.57 172.62 2dd4 n ARG 157 N -3.60 0.75 -2.81 5.19 0.63 -0.48 -4.71 116.66 111.63 2dd4 n ARG 157 Ca -0.01 0.09 -0.23 0.00 -0.92 0.00 0.00 57.85 56.77 2dd4 n ARG 157 Cb 0.28 -1.43 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 2dd4 n ARG 157 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2dd4 n TRP 158 N -2.98 2.87 -0.22 -0.14 8.01 0.25 -4.93 117.44 120.30 2dd4 n TRP 158 Ca -0.35 -3.57 -0.03 0.00 -1.31 0.00 0.00 57.50 52.24 2dd4 n TRP 158 Cb 0.95 -0.35 0.08 0.00 -2.01 0.00 0.00 31.31 29.98 2dd4 n TRP 158 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2dd4 h PRO 159 N 2.87 0.71 -0.69 -0.99 0.13 -1.63 -0.99 132.00 131.41 2dd4 h PRO 159 Ca 0.15 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 2dd4 h PRO 159 Cb 0.78 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 2dd4 h PRO 159 CO 0.74 0.47 0.40 0.00 -0.23 0.00 0.00 178.00 179.37 2dd4 h ARG 160 N 0.73 0.72 -0.12 0.86 2.47 -1.91 0.95 114.38 118.07 2dd4 h ARG 160 Ca 0.27 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.91 2dd4 h ARG 160 Cb 0.09 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2dd4 h ARG 160 CO -0.14 0.47 -0.07 1.96 0.56 0.00 0.00 179.97 182.75 2dd4 h GLN 161 N 0.74 0.27 -0.36 0.04 7.50 -1.85 -1.60 115.11 119.84 2dd4 h GLN 161 Ca 0.30 -0.12 -0.00 0.00 0.50 0.00 0.00 58.65 59.33 2dd4 h GLN 161 Cb 0.16 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 2dd4 h GLN 161 CO -0.17 0.62 0.22 0.28 -1.50 0.00 0.00 178.83 178.28 2dd4 h VAL 162 N -0.09 1.12 -0.68 -0.54 2.07 -0.94 -1.72 116.25 115.47 2dd4 h VAL 162 Ca 0.03 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2dd4 h VAL 162 Cb 0.55 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2dd4 h VAL 162 CO 0.02 0.12 0.36 -0.07 0.02 0.00 0.00 177.57 178.01 2dd4 h LEU 163 N 0.47 0.85 -0.97 2.57 3.38 -0.82 -1.47 115.31 119.32 2dd4 h LEU 163 Ca 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dd4 h LEU 163 Cb 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 2dd4 h LEU 163 CO -0.02 0.70 0.56 0.00 0.09 0.00 0.00 178.44 179.77 2dd4 h ALA 164 N 1.44 1.23 -0.91 1.53 0.00 -0.75 0.21 119.26 122.01 2dd4 h ALA 164 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dd4 h ALA 164 Cb 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2dd4 h ALA 164 CO -0.04 0.66 0.58 0.93 0.00 0.00 0.00 179.25 181.39 2dd4 h GLU 165 N 1.29 1.20 0.00 0.00 5.08 -0.41 0.93 114.58 122.68 2dd4 h GLU 165 Ca 0.34 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2dd4 h GLU 165 Cb -0.05 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 28.93 2dd4 h GLU 165 CO -0.06 0.81 0.00 1.19 -1.00 0.00 0.00 179.01 179.95 2dd4 n PHE 166 N -4.38 0.00 -0.47 4.33 3.72 -0.34 -4.87 117.46 115.45 2dd4 n PHE 166 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2dd4 n PHE 166 Cb 0.03 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2dd4 n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dd4 n GLY 167 N 0.60 0.73 3.32 1.37 0.00 0.32 -4.95 105.19 106.58 2dd4 n GLY 167 Ca 0.10 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2dd4 n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dd4 s LEU 168 N 0.00 2.45 -0.01 0.99 2.96 0.60 -4.97 118.68 120.71 2dd4 s LEU 168 Ca 0.00 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2dd4 s LEU 168 Cb 0.00 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.17 2dd4 s LEU 168 CO 0.00 0.19 0.02 -1.58 -1.32 0.00 0.00 176.35 173.66 2dd4 s GLN 169 N 0.19 0.03 0.20 1.98 0.74 -1.26 -2.45 119.66 119.10 2dd4 s GLN 169 Ca -0.11 0.03 0.08 0.00 0.05 0.00 0.00 55.36 55.41 2dd4 s GLN 169 Cb -0.16 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 33.92 2dd4 s GLN 169 CO 0.06 -0.00 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.14 2dd4 s LEU 170 N 0.00 2.56 0.47 3.68 1.43 -1.26 -5.12 118.68 120.44 2dd4 s LEU 170 Ca -0.00 -1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 51.85 2dd4 s LEU 170 Cb -0.00 -0.67 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 2dd4 s LEU 170 CO 0.00 -0.17 1.09 -2.65 0.23 0.00 0.00 176.35 174.85 2dd4 n PRO 171 N -0.37 1.43 0.25 1.29 -0.02 -1.26 -4.87 135.00 131.45 2dd4 n PRO 171 Ca -0.08 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 2dd4 n PRO 171 Cb 0.60 -2.20 0.64 0.00 -0.02 0.00 0.00 33.50 32.52 2dd4 n PRO 171 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2dd4 h SER 172 N 1.45 0.00 1.75 2.55 4.64 -2.04 -1.84 113.55 120.06 2dd4 h SER 172 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2dd4 h SER 172 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2dd4 h SER 172 CO 0.56 0.07 0.00 -0.33 -0.87 0.00 0.00 176.83 176.26 2dd4 h GLU 173 N 0.00 0.00 -6.82 4.77 3.07 -2.00 -3.45 114.58 110.14 2dd4 h GLU 173 Ca -0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.34 2dd4 h GLU 173 Cb 0.13 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.08 2dd4 h GLU 173 CO 0.01 0.00 0.56 0.08 -1.40 0.00 0.00 179.01 178.26 2dd4 s VAL 174 N -3.28 3.13 -0.47 3.13 1.01 -0.69 -4.96 120.40 118.27 2dd4 s VAL 174 Ca 0.06 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 2dd4 s VAL 174 Cb 0.07 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2dd4 s VAL 174 CO 0.63 0.25 1.11 -1.58 0.00 0.00 0.00 175.10 175.52 2dd4 s GLN 175 N -1.45 3.72 -0.19 2.72 0.74 -0.30 -4.91 119.66 119.99 2dd4 s GLN 175 Ca 0.48 0.54 -0.20 0.00 0.05 0.00 0.00 55.36 56.23 2dd4 s GLN 175 Cb -0.36 -3.90 -0.03 0.00 1.10 0.00 0.00 33.01 29.82 2dd4 s GLN 175 CO 0.46 -1.35 0.57 0.42 -0.55 0.00 0.00 175.29 174.84 2dd4 s ILE 176 N 4.36 5.07 -0.18 -2.34 1.09 -1.26 -0.85 121.20 127.09 2dd4 s ILE 176 Ca 0.47 1.07 -0.00 0.00 -1.10 0.00 0.00 60.65 61.08 2dd4 s ILE 176 Cb -0.08 -3.89 0.01 0.00 -1.06 0.00 0.00 42.46 37.44 2dd4 s ILE 176 CO 0.31 0.16 -0.15 -0.60 -0.10 0.00 0.00 174.94 174.56 2dd4 s ARG 177 N 1.66 3.14 -0.13 2.79 3.52 -0.10 -4.95 118.95 124.88 2dd4 s ARG 177 Ca 0.27 -0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 54.94 2dd4 s ARG 177 Cb -0.16 -2.68 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2dd4 s ARG 177 CO 0.10 -0.13 0.41 0.08 -0.81 0.00 0.00 175.30 174.95 2dd4 s VAL 178 N 1.18 5.22 -0.24 7.11 1.01 -1.26 -2.08 120.40 131.34 2dd4 s VAL 178 Ca 0.02 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 2dd4 s VAL 178 Cb -0.14 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2dd4 s VAL 178 CO -0.06 0.36 0.03 0.00 0.00 0.00 0.00 175.10 175.42 2dd4 s ALA 179 N 0.51 3.03 -0.45 5.51 0.00 -0.45 -4.97 121.76 124.94 2dd4 s ALA 179 Ca 0.23 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 2dd4 s ALA 179 Cb -0.14 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.11 2dd4 s ALA 179 CO 0.08 -0.45 0.35 0.34 0.00 0.00 0.00 175.76 176.08 2dd4 s ASP 180 N 1.54 6.03 -1.14 0.00 -1.08 -1.26 -1.62 116.67 119.14 2dd4 s ASP 180 Ca 0.06 -1.28 -0.21 0.00 -0.52 0.00 0.00 52.55 50.60 2dd4 s ASP 180 Cb -0.15 -2.14 0.02 0.00 -1.46 0.00 0.00 42.92 39.20 2dd4 s ASP 180 CO 0.01 -0.58 1.71 -0.44 0.52 0.00 0.00 175.17 176.38 2dd4 s SER 181 N 2.32 6.22 0.00 -0.34 0.01 0.31 -4.73 113.70 117.48 2dd4 s SER 181 Ca 0.04 -1.78 0.18 0.00 1.31 0.00 0.00 55.95 55.70 2dd4 s SER 181 Cb -0.23 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.29 2dd4 s SER 181 CO 0.06 -1.79 0.81 -0.46 0.41 0.00 0.00 173.24 172.27 2dd4 n ASN 182 N 10.25 1.10 0.00 2.44 6.94 -1.26 -4.65 115.26 130.08 2dd4 n ASN 182 Ca 0.42 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.93 2dd4 n ASN 182 Cb 0.48 0.85 0.00 0.00 -2.36 0.00 0.00 39.78 38.75 2dd4 n ASN 182 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dd4 n GLN 183 N -1.04 0.87 0.00 -3.83 1.13 -1.26 -5.03 117.38 108.22 2dd4 n GLN 183 Ca 0.05 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.24 2dd4 n GLN 183 Cb 0.31 0.00 0.42 0.00 0.11 0.00 0.00 30.24 31.08 2dd4 n GLN 183 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dd4 n LYS 184 N 0.00 0.94 -3.14 -1.09 5.02 -1.26 -4.90 118.16 113.73 2dd4 n LYS 184 Ca 0.00 -0.53 -0.39 0.00 -2.02 0.00 0.00 58.31 55.37 2dd4 n LYS 184 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 2dd4 n LYS 184 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dd4 s THR 185 N -2.43 4.68 0.10 -0.18 2.01 -1.26 -4.22 115.64 114.35 2dd4 s THR 185 Ca 0.27 1.41 0.09 0.00 0.31 0.00 0.00 61.69 63.77 2dd4 s THR 185 Cb 0.20 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2dd4 s THR 185 CO 0.49 0.49 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.55 2dd4 s ARG 186 N -0.74 1.68 0.22 4.92 1.81 -1.02 -4.72 118.95 121.10 2dd4 s ARG 186 Ca 0.33 -1.21 0.09 0.00 -1.72 0.00 0.00 55.73 53.22 2dd4 s ARG 186 Cb -0.20 -2.03 -0.05 0.00 -0.45 0.00 0.00 34.95 32.22 2dd4 s ARG 186 CO 0.21 0.48 -0.17 0.71 -0.68 0.00 0.00 175.30 175.85 2dd4 s TYR 187 N -1.04 1.92 -0.00 -0.53 2.02 -1.26 -0.89 117.35 117.57 2dd4 s TYR 187 Ca 0.15 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2dd4 s TYR 187 Cb -0.10 -0.89 -0.00 0.00 -0.40 0.00 0.00 41.96 40.57 2dd4 s TYR 187 CO 0.07 0.46 0.02 0.96 -1.57 0.00 0.00 175.55 175.49 2dd4 s ILE 188 N -2.58 0.03 -0.14 2.71 -0.00 -1.14 -4.52 121.20 115.55 2dd4 s ILE 188 Ca 0.23 -0.21 -0.11 0.00 -0.00 0.00 0.00 60.65 60.56 2dd4 s ILE 188 Cb -0.03 -0.11 -0.05 0.00 -0.00 0.00 0.00 42.46 42.27 2dd4 s ILE 188 CO 0.09 -0.11 0.23 -0.69 -0.00 0.00 0.00 174.94 174.46 2dd4 s VAL 189 N -0.34 5.34 -0.61 8.37 1.01 -0.13 -1.72 120.40 132.32 2dd4 s VAL 189 Ca -0.04 0.42 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 2dd4 s VAL 189 Cb -0.02 -3.55 0.16 0.00 0.00 0.00 0.00 36.38 32.96 2dd4 s VAL 189 CO -0.00 0.48 0.53 -0.32 0.00 0.00 0.00 175.10 175.79 2dd4 s MET 190 N -0.12 2.98 0.86 2.72 1.75 0.10 -4.44 119.30 123.16 2dd4 s MET 190 Ca 0.15 -2.01 -0.11 0.00 -1.25 0.00 0.00 55.69 52.46 2dd4 s MET 190 Cb -0.13 -4.18 0.11 0.00 2.84 0.00 0.00 34.83 33.47 2dd4 s MET 190 CO 0.04 -1.27 1.09 -1.25 -0.65 0.00 0.00 175.02 172.98 2dd4 s PRO 191 N 0.98 1.57 0.42 4.11 0.04 -1.26 -0.81 135.00 140.05 2dd4 s PRO 191 Ca 0.09 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 2dd4 s PRO 191 Cb -0.23 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 2dd4 s PRO 191 CO -0.02 -2.03 1.11 0.14 0.04 0.00 0.00 177.00 176.24 2dd4 s VAL 192 N -2.96 3.42 0.10 -0.36 -7.23 -1.26 -4.77 120.40 107.33 2dd4 s VAL 192 Ca 0.63 1.09 -0.31 0.00 -1.81 0.00 0.00 61.98 61.58 2dd4 s VAL 192 Cb -0.17 -3.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 2dd4 s VAL 192 CO 0.56 0.01 1.58 -0.60 -0.31 0.00 0.00 175.10 176.35 2dd4 s ARG 193 N -2.54 4.22 0.58 4.82 3.52 -1.26 -4.82 118.95 123.47 2dd4 s ARG 193 Ca 0.60 2.30 -0.15 0.00 -0.13 0.00 0.00 55.73 58.35 2dd4 s ARG 193 Cb -0.26 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 2dd4 s ARG 193 CO 0.32 -0.65 1.02 -1.25 -0.81 0.00 0.00 175.30 173.93 2dd4 s PRO 194 N 1.95 3.57 0.86 5.12 0.04 -1.26 -5.05 135.00 140.22 2dd4 s PRO 194 Ca 0.71 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 2dd4 s PRO 194 Cb -0.40 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.17 2dd4 s PRO 194 CO 0.31 -0.59 1.09 -1.21 0.04 0.00 0.00 177.00 176.64 2dd4 s GLU 195 N -4.34 1.57 -0.12 4.56 2.02 -1.26 -3.95 118.70 117.18 2dd4 s GLU 195 Ca 0.60 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.41 2dd4 s GLU 195 Cb -0.13 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.26 2dd4 s GLU 195 CO 0.39 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 174.06 2dd4 n GLY 196 N -1.35 0.41 0.09 -1.39 0.00 -1.26 -4.74 105.19 96.94 2dd4 n GLY 196 Ca 0.07 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.17 2dd4 n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dd4 n THR 197 N -3.42 0.91 -1.72 2.61 -2.24 -1.25 -4.92 114.28 104.25 2dd4 n THR 197 Ca -0.01 -1.02 -0.43 0.00 -2.27 0.00 0.00 64.05 60.32 2dd4 n THR 197 Cb 0.25 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 2dd4 n THR 197 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dd4 n ASP 198 N -0.59 3.42 0.00 3.42 8.00 -1.26 -1.69 116.55 127.85 2dd4 n ASP 198 Ca 0.04 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.69 2dd4 n ASP 198 Cb 0.47 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 2dd4 n ASP 198 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dd4 n GLY 199 N 2.08 2.58 3.74 0.44 0.00 -1.26 -5.00 105.19 107.78 2dd4 n GLY 199 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2dd4 n GLY 199 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dd4 n TRP 200 N -2.00 2.31 -2.07 1.61 7.02 -0.68 -5.00 117.44 118.62 2dd4 n TRP 200 Ca 0.00 0.43 -0.27 0.00 -1.02 0.00 0.00 57.50 56.64 2dd4 n TRP 200 Cb 0.00 -2.37 0.09 0.00 -2.42 0.00 0.00 31.31 26.61 2dd4 n TRP 200 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2dd4 s THR 201 N -1.28 2.13 0.15 -0.99 -4.23 -1.26 -4.87 115.64 105.30 2dd4 s THR 201 Ca 0.71 -0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.90 2dd4 s THR 201 Cb -0.42 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.45 2dd4 s THR 201 CO 0.50 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.29 2dd4 h GLU 202 N -0.89 0.43 0.00 3.99 4.81 -1.94 -1.60 114.58 119.37 2dd4 h GLU 202 Ca -0.45 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2dd4 h GLU 202 Cb 1.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2dd4 h GLU 202 CO 0.59 0.28 -0.24 -0.44 -0.73 0.00 0.00 179.01 178.47 2dd4 h ASP 203 N 0.44 0.00 -0.15 1.04 3.32 -1.97 -0.66 116.42 118.44 2dd4 h ASP 203 Ca 0.15 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 2dd4 h ASP 203 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2dd4 h ASP 203 CO -0.07 0.24 -0.11 1.56 -1.72 0.00 0.00 179.24 179.14 2dd4 h GLN 204 N 0.00 0.34 -0.32 3.56 4.20 -1.77 -2.32 115.11 118.81 2dd4 h GLN 204 Ca -0.00 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 2dd4 h GLN 204 Cb 0.47 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2dd4 h GLN 204 CO 0.03 0.69 0.11 -0.07 -0.67 0.00 0.00 178.83 178.93 2dd4 h LEU 205 N -0.01 0.45 -2.16 1.46 3.38 -0.98 -2.52 115.31 114.93 2dd4 h LEU 205 Ca 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2dd4 h LEU 205 Cb 0.61 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dd4 h LEU 205 CO 0.03 0.51 -0.05 0.00 0.09 0.00 0.00 178.44 179.02 2dd4 h ALA 206 N 0.95 1.59 -0.00 1.53 0.00 -1.14 -2.44 119.26 119.74 2dd4 h ALA 206 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dd4 h ALA 206 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2dd4 h ALA 206 CO -0.01 0.06 -0.19 1.49 0.00 0.00 0.00 179.25 180.61 2dd4 h GLU 207 N 0.00 0.01 -0.02 0.00 4.81 -0.95 -2.58 114.58 115.86 2dd4 h GLU 207 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dd4 h GLU 207 Cb 0.11 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2dd4 h GLU 207 CO 0.01 0.19 -0.23 0.44 -0.73 0.00 0.00 179.01 178.69 2dd4 n ILE 208 N -4.31 0.00 -2.95 2.32 -5.35 -0.92 -4.47 119.36 103.67 2dd4 n ILE 208 Ca -0.02 -0.26 -0.44 0.00 -0.27 0.00 0.00 62.75 61.76 2dd4 n ILE 208 Cb 0.25 0.86 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 2dd4 n ILE 208 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2dd4 s VAL 209 N -2.31 4.93 0.91 7.28 1.01 -0.97 -4.29 120.40 126.96 2dd4 s VAL 209 Ca 0.26 -2.18 -0.13 0.00 0.00 0.00 0.00 61.98 59.93 2dd4 s VAL 209 Cb 0.19 -4.84 0.14 0.00 0.00 0.00 0.00 36.38 31.88 2dd4 s VAL 209 CO 0.46 -1.55 1.18 0.42 0.00 0.00 0.00 175.10 175.62 2dd4 s THR 210 N 1.99 1.97 0.20 3.92 -4.23 -1.26 -4.61 115.64 113.62 2dd4 s THR 210 Ca 0.37 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.78 2dd4 s THR 210 Cb -0.04 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 71.07 2dd4 s THR 210 CO -0.05 0.00 1.78 -0.09 -0.54 0.00 0.00 174.62 175.73 2dd4 h ARG 211 N -1.46 0.54 -0.18 3.99 2.43 -1.94 -1.46 114.38 116.28 2dd4 h ARG 211 Ca -0.48 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2dd4 h ARG 211 Cb 1.31 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2dd4 h ARG 211 CO 0.57 0.35 0.05 -0.44 -1.51 0.00 0.00 179.97 178.99 2dd4 h ASP 212 N 0.55 0.22 -0.05 -3.80 3.32 -1.94 -1.30 116.42 113.43 2dd4 h ASP 212 Ca 0.28 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 2dd4 h ASP 212 Cb 0.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2dd4 h ASP 212 CO -0.21 0.23 -0.43 0.00 -1.72 0.00 0.00 179.24 177.10 2dd4 h LEU 214 N 0.47 0.00 0.08 0.00 3.38 -0.65 -2.80 115.31 115.79 2dd4 h LEU 214 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.66 2dd4 h LEU 214 Cb 0.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2dd4 h LEU 214 CO 0.09 0.00 -1.92 -0.38 0.09 0.00 0.00 178.44 176.31 2dd4 n ILE 215 N -2.66 1.71 0.00 1.22 2.08 -0.76 -0.96 119.36 120.00 2dd4 n ILE 215 Ca 0.02 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.63 2dd4 n ILE 215 Cb 0.33 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 37.76 2dd4 n ILE 215 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dd4 n GLY 216 N 1.85 0.93 0.22 7.39 0.00 -0.29 -0.56 105.19 114.73 2dd4 n GLY 216 Ca -0.27 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.89 2dd4 n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dd4 n VAL 217 N -0.95 0.00 -3.83 1.61 0.24 -0.87 -4.62 118.33 109.91 2dd4 n VAL 217 Ca 0.00 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 2dd4 n VAL 217 Cb 0.00 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.42 2dd4 n VAL 217 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dd4 s ALA 218 N -2.30 -0.32 0.11 2.33 0.00 -1.15 -4.60 121.76 115.83 2dd4 s ALA 218 Ca 0.33 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 51.82 2dd4 s ALA 218 Cb 0.20 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2dd4 s ALA 218 CO 0.44 -0.56 -0.24 0.14 0.00 0.00 0.00 175.76 175.54 2dd4 s VAL 219 N -3.87 2.44 0.34 0.00 -7.23 -1.26 -4.05 120.40 106.78 2dd4 s VAL 219 Ca 0.07 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 2dd4 s VAL 219 Cb 0.04 -2.08 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 2dd4 s VAL 219 CO -0.09 0.14 1.39 -2.16 -0.31 0.00 0.00 175.10 174.07 2dd4 s PRO 220 N -1.94 4.24 -0.02 4.82 0.04 -1.26 -4.96 135.00 135.92 2dd4 s PRO 220 Ca 0.15 2.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.56 2dd4 s PRO 220 Cb -0.10 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.43 2dd4 s PRO 220 CO 0.07 -0.35 0.03 0.15 0.04 0.00 0.00 177.00 176.94 2dd4 s LYS 221 N -1.81 -0.01 0.27 4.56 1.02 -1.26 -4.66 119.74 117.85 2dd4 s LYS 221 Ca 0.51 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.35 2dd4 s LYS 221 Cb -0.43 -0.16 -0.13 0.00 -0.52 0.00 0.00 37.83 36.59 2dd4 s LYS 221 CO 0.56 -0.11 1.43 -2.30 -0.92 0.00 0.00 175.35 174.01 2dd4 n PRO 222 N 3.82 2.22 0.00 -1.68 -0.02 -1.26 -1.44 135.00 136.65 2dd4 n PRO 222 Ca -0.23 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2dd4 n PRO 222 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2dd4 n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dd4 n GLY 223 N 1.89 2.75 3.40 -1.23 0.00 -1.26 -5.01 105.19 105.74 2dd4 n GLY 223 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2dd4 n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dd4 s ILE 224 N -2.28 4.48 -0.04 -0.61 -1.09 -0.52 -4.94 121.20 116.20 2dd4 s ILE 224 Ca 0.00 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 57.89 2dd4 s ILE 224 Cb 0.00 -3.35 0.09 0.00 -1.58 0.00 0.00 42.46 37.62 2dd4 s ILE 224 CO 0.00 -0.02 1.02 0.35 -1.23 0.00 0.00 174.94 175.06 2dd4 n THR 225 N 4.96 1.19 -3.96 2.92 -2.24 -1.26 -4.38 114.28 111.52 2dd4 n THR 225 Ca -0.13 -1.31 -0.09 0.00 -2.27 0.00 0.00 64.05 60.25 2dd4 n THR 225 Cb 0.48 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 2dd4 n THR 225 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2dd4 s VAL 226 N -1.50 0.14 0.74 2.28 -7.23 -1.26 -4.91 120.40 108.66 2dd4 s VAL 226 Ca 0.10 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.98 2dd4 s VAL 226 Cb 0.09 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.22 2dd4 s VAL 226 CO 0.01 -0.63 1.24 0.20 -0.31 0.00 0.00 175.10 175.61 2dd4 s ASN 227 N -2.09 4.02 0.39 4.85 0.01 -1.26 -4.89 114.94 115.98 2dd4 s ASN 227 Ca -0.06 2.46 -0.26 0.00 -0.71 0.00 0.00 52.86 54.30 2dd4 s ASN 227 Cb -0.02 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.94 2dd4 s ASN 227 CO -0.04 -2.39 1.25 0.00 -1.51 0.00 0.00 177.10 174.41 2dd4 n ALA 228 N -2.72 1.20 -2.34 0.60 0.00 -1.26 -4.89 120.51 111.10 2dd4 n ALA 228 Ca 0.14 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2dd4 n ALA 228 Cb 0.50 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 2dd4 n ALA 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dd4 s LYS 229 N -2.08 4.42 0.11 0.00 2.20 -1.26 -5.02 119.74 118.11 2dd4 s LYS 229 Ca 0.59 1.83 -0.02 0.00 -0.36 0.00 0.00 55.97 58.01 2dd4 s LYS 229 Cb -0.53 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 2dd4 s LYS 229 CO 0.59 -0.27 0.07 -0.98 -0.36 0.00 0.00 175.35 174.40 2dd4 s ARG 230 N 0.92 0.87 0.40 4.03 1.70 -1.26 -5.13 118.95 120.48 2dd4 s ARG 230 Ca 0.59 -1.32 -0.24 0.00 -0.47 0.00 0.00 55.73 54.29 2dd4 s ARG 230 Cb -0.31 0.26 -0.11 0.00 -0.57 0.00 0.00 34.95 34.21 2dd4 s ARG 230 CO 0.30 -0.24 0.94 -2.30 -1.08 0.00 0.00 175.30 172.92 2dd4 n PRO 231 N -0.05 1.22 -4.02 3.89 -0.02 -1.26 -4.98 135.00 129.77 2dd4 n PRO 231 Ca -0.08 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 2dd4 n PRO 231 Cb 0.63 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 2dd4 n PRO 231 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dd4 s VAL 232 N -1.28 1.90 -0.00 -1.45 1.01 -1.26 -5.10 120.40 114.23 2dd4 s VAL 232 Ca 0.63 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2dd4 s VAL 232 Cb -0.58 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2dd4 s VAL 232 CO 0.57 0.01 1.12 -0.22 0.00 0.00 0.00 175.10 176.58 2dd4 s LEU 233 N 1.24 4.33 0.33 3.92 2.96 -1.26 -5.01 118.68 125.18 2dd4 s LEU 233 Ca -0.06 1.82 -0.18 0.00 -0.22 0.00 0.00 54.13 55.49 2dd4 s LEU 233 Cb -0.19 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.84 2dd4 s LEU 233 CO -0.06 -0.44 0.79 -0.54 -1.32 0.00 0.00 176.35 174.77 2dd4 s LYS 234 N 1.46 4.13 0.47 1.98 1.02 -1.26 -5.07 119.74 122.47 2dd4 s LYS 234 Ca 0.55 0.83 -0.08 0.00 0.02 0.00 0.00 55.97 57.29 2dd4 s LYS 234 Cb -0.25 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 2dd4 s LYS 234 CO 0.26 0.17 0.82 0.00 -0.92 0.00 0.00 175.35 175.67 2dd4 s ALA 235 N -1.92 3.34 0.07 5.17 0.00 -1.26 -5.00 121.76 122.15 2dd4 s ALA 235 Ca 0.54 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 2dd4 s ALA 235 Cb -0.12 -2.71 -0.12 0.00 0.00 0.00 0.00 23.12 20.18 2dd4 s ALA 235 CO 0.17 -0.27 1.36 -0.97 0.00 0.00 0.00 175.76 176.06 2dd4 h ASN 236 N 0.54 0.57 -2.43 0.00 -1.24 -2.07 -3.39 115.58 107.57 2dd4 h ASN 236 Ca -0.47 -0.50 -0.59 0.00 0.71 0.00 0.00 56.30 55.45 2dd4 h ASN 236 Cb 1.20 -0.16 -0.38 0.00 0.73 0.00 0.00 38.32 39.70 2dd4 h ASN 236 CO 0.62 0.96 -0.94 -0.60 -1.29 0.00 0.00 177.43 176.18 2dd4 s ARG 237 N -4.25 0.99 0.00 6.67 3.52 -1.26 -5.12 118.95 119.51 2dd4 s ARG 237 Ca -0.13 -2.15 0.00 0.00 -0.13 0.00 0.00 55.73 53.31 2dd4 s ARG 237 Cb 0.07 -1.55 0.00 0.00 -1.56 0.00 0.00 34.95 31.91 2dd4 s ARG 237 CO 0.80 -1.37 0.00 -0.35 -0.81 0.00 0.00 175.30 173.56 2dd4 n PRO 238 N 2.85 3.58 -0.24 5.12 -0.04 -1.26 -5.25 135.00 139.76 2dd4 n PRO 238 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2dd4 n PRO 238 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2dd4 n PRO 238 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01