#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 h SER 3 N 0.00 0.63 -0.58 4.04 0.87 -2.05 0.25 113.55 116.71 2dd4 h SER 3 Ca 0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dd4 h SER 3 Cb 0.00 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2dd4 h SER 3 CO 0.00 0.46 0.35 -1.28 -0.53 0.00 0.00 176.83 175.83 2dd4 h SER 4 N 0.74 0.70 -0.19 6.23 0.87 -2.05 0.75 113.55 120.59 2dd4 h SER 4 Ca 0.20 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2dd4 h SER 4 Cb -0.08 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2dd4 h SER 4 CO -0.04 0.56 0.01 0.40 -0.53 0.00 0.00 176.83 177.22 2dd4 h ILE 5 N 0.78 1.25 -0.67 2.23 1.08 -1.89 -2.34 117.51 117.95 2dd4 h ILE 5 Ca 0.21 -0.83 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 2dd4 h ILE 5 Cb -0.01 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2dd4 h ILE 5 CO -0.04 0.25 0.32 0.03 -0.69 0.00 0.00 178.15 178.02 2dd4 h ARG 6 N 0.10 0.95 -0.74 2.37 2.47 -0.29 -0.17 114.38 119.07 2dd4 h ARG 6 Ca 0.06 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 2dd4 h ARG 6 Cb 0.37 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 2dd4 h ARG 6 CO 0.01 0.74 0.22 0.93 0.56 0.00 0.00 179.97 182.42 2dd4 h GLU 7 N 0.95 1.16 -0.29 0.04 5.08 -0.74 -0.67 114.58 120.11 2dd4 h GLU 7 Ca 0.23 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2dd4 h GLU 7 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2dd4 h GLU 7 CO -0.03 0.99 -0.31 1.49 -1.00 0.00 0.00 179.01 180.15 2dd4 h GLU 8 N 1.11 0.60 0.17 2.33 4.81 -0.85 -0.66 114.58 122.09 2dd4 h GLU 8 Ca 0.24 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2dd4 h GLU 8 Cb 0.33 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2dd4 h GLU 8 CO -0.01 0.84 -0.08 0.28 -0.73 0.00 0.00 179.01 179.31 2dd4 h VAL 9 N 0.51 0.87 -0.10 0.32 2.07 -0.52 0.18 116.25 119.59 2dd4 h VAL 9 Ca 0.06 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2dd4 h VAL 9 Cb 0.79 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2dd4 h VAL 9 CO 0.06 0.05 -0.21 0.45 0.02 0.00 0.00 177.57 177.94 2dd4 h HIS 10 N -0.33 0.18 -0.39 1.57 3.86 -1.05 -0.20 115.15 118.79 2dd4 h HIS 10 Ca -0.02 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.04 2dd4 h HIS 10 Cb 0.26 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2dd4 h HIS 10 CO -0.04 0.38 -0.24 -0.09 0.86 0.00 0.00 177.93 178.80 2dd4 h ARG 11 N 0.15 0.78 -0.11 2.45 2.43 -0.90 -2.58 114.38 116.61 2dd4 h ARG 11 Ca 0.03 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2dd4 h ARG 11 Cb 0.47 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2dd4 h ARG 11 CO 0.03 0.94 0.02 1.25 -1.51 0.00 0.00 179.97 180.70 2dd4 h HIS 12 N 0.68 0.19 -0.36 2.20 2.76 0.10 -0.18 115.15 120.53 2dd4 h HIS 12 Ca 0.09 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.30 2dd4 h HIS 12 Cb 0.76 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 2dd4 h HIS 12 CO 0.04 0.38 0.25 -0.07 -1.30 0.00 0.00 177.93 177.24 2dd4 h LEU 13 N -0.05 0.16 0.20 0.26 3.38 -0.98 -1.79 115.31 116.49 2dd4 h LEU 13 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.66 2dd4 h LEU 13 Cb 0.30 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.03 2dd4 h LEU 13 CO 0.00 0.10 -1.63 1.23 0.09 0.00 0.00 178.44 178.23 2dd4 h GLY 14 N 0.18 0.49 0.99 0.83 0.00 -1.27 -3.38 103.07 100.92 2dd4 h GLY 14 Ca 0.17 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.24 2dd4 h GLY 14 CO -0.03 1.09 0.31 -0.84 0.00 0.00 0.00 176.54 177.08 2dd4 h THR 15 N 0.12 1.18 -0.01 4.70 2.02 -0.43 -2.74 112.91 117.75 2dd4 h THR 15 Ca -0.30 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2dd4 h THR 15 Cb 2.11 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2dd4 h THR 15 CO 0.21 0.19 0.07 -0.37 0.37 0.00 0.00 175.52 175.99 2dd4 h VAL 16 N 0.74 0.10 -0.18 3.16 -1.51 -1.51 -0.58 116.25 116.46 2dd4 h VAL 16 Ca 0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.64 2dd4 h VAL 16 Cb 0.02 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 2dd4 h VAL 16 CO -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.31 2dd4 h ALA 17 N 1.88 1.67 -0.16 5.19 0.00 -1.66 -1.28 119.26 124.89 2dd4 h ALA 17 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dd4 h ALA 17 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2dd4 h ALA 17 CO -0.00 0.25 0.08 -0.07 0.00 0.00 0.00 179.25 179.52 2dd4 h LEU 18 N 0.26 0.19 -1.39 0.00 3.38 -1.26 -2.46 115.31 114.03 2dd4 h LEU 18 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2dd4 h LEU 18 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2dd4 h LEU 18 CO 0.00 0.16 0.00 0.23 0.09 0.00 0.00 178.44 178.93 2dd4 n MET 19 N -4.49 1.92 -1.66 1.13 2.81 -0.49 -4.94 117.12 111.41 2dd4 n MET 19 Ca -0.01 -1.38 -0.51 0.00 -1.81 0.00 0.00 57.70 53.99 2dd4 n MET 19 Cb 0.10 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.11 2dd4 n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dd4 n GLN 20 N 0.62 1.72 -1.76 0.03 -0.06 -0.93 -4.88 117.38 112.11 2dd4 n GLN 20 Ca 0.17 0.61 -0.38 0.00 -2.00 0.00 0.00 57.00 55.41 2dd4 n GLN 20 Cb 0.41 -2.47 0.05 0.00 -4.06 0.00 0.00 30.24 24.17 2dd4 n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dd4 s PRO 21 N 4.28 2.85 0.17 3.69 0.02 -1.26 -5.02 135.00 139.72 2dd4 s PRO 21 Ca 0.97 2.15 -0.23 0.00 0.02 0.00 0.00 61.00 63.91 2dd4 s PRO 21 Cb -0.82 -2.05 0.06 0.00 0.02 0.00 0.00 34.50 31.71 2dd4 s PRO 21 CO 0.55 -1.40 0.66 0.00 -0.33 0.00 0.00 177.00 176.49 2dd4 s ALA 22 N -1.35 -1.55 -0.53 -1.55 0.00 -1.26 -5.09 121.76 110.43 2dd4 s ALA 22 Ca 0.77 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 2dd4 s ALA 22 Cb -0.39 0.83 0.12 0.00 0.00 0.00 0.00 23.12 23.68 2dd4 s ALA 22 CO 0.44 -0.82 0.50 -0.51 0.00 0.00 0.00 175.76 175.37 2dd4 s LEU 23 N -2.76 6.08 -0.53 0.00 1.43 -1.26 -5.02 118.68 116.62 2dd4 s LEU 23 Ca 0.04 -1.71 -0.18 0.00 -1.03 0.00 0.00 54.13 51.24 2dd4 s LEU 23 Cb -0.02 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.07 2dd4 s LEU 23 CO -0.08 -0.85 0.60 -2.28 0.23 0.00 0.00 176.35 173.97 2dd4 s HIS 24 N 1.66 3.08 -0.48 0.29 2.46 -1.26 -5.03 115.29 116.01 2dd4 s HIS 24 Ca 0.04 -0.78 -0.13 0.00 0.47 0.00 0.00 55.06 54.66 2dd4 s HIS 24 Cb -0.29 -3.63 0.10 0.00 -0.13 0.00 0.00 32.58 28.63 2dd4 s HIS 24 CO 0.04 -1.06 0.38 -1.14 -2.47 0.00 0.00 174.74 170.48 2dd4 s GLN 25 N 2.40 2.79 0.38 2.88 0.74 -1.26 -5.06 119.66 122.53 2dd4 s GLN 25 Ca 0.11 -1.55 -0.27 0.00 0.05 0.00 0.00 55.36 53.71 2dd4 s GLN 25 Cb -0.22 -4.05 -0.09 0.00 1.10 0.00 0.00 33.01 29.75 2dd4 s GLN 25 CO 0.09 -1.12 1.27 -0.65 -0.55 0.00 0.00 175.29 174.33 2dd4 s GLN 26 N 1.52 4.10 -0.21 1.67 -0.21 -1.26 -5.01 119.66 120.26 2dd4 s GLN 26 Ca 0.04 2.09 -0.04 0.00 0.02 0.00 0.00 55.36 57.47 2dd4 s GLN 26 Cb -0.26 -2.83 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 2dd4 s GLN 26 CO 0.03 -0.36 -0.04 0.95 -2.12 0.00 0.00 175.29 173.75 2dd4 s THR 27 N -1.26 3.43 -0.63 -0.19 -4.23 -1.26 -5.04 115.64 106.46 2dd4 s THR 27 Ca 0.55 -0.48 0.06 0.00 -1.18 0.00 0.00 61.69 60.64 2dd4 s THR 27 Cb -0.37 -2.55 0.22 0.00 1.34 0.00 0.00 72.50 71.14 2dd4 s THR 27 CO 0.47 0.43 0.65 1.41 -0.54 0.00 0.00 174.62 177.04 2dd4 n HIS 28 N 4.66 3.10 -3.56 3.99 8.25 -1.26 -4.90 115.22 125.50 2dd4 n HIS 28 Ca -0.18 -4.13 -0.27 0.00 -0.26 0.00 0.00 57.72 52.88 2dd4 n HIS 28 Cb 0.51 -0.54 0.05 0.00 1.12 0.00 0.00 29.99 31.13 2dd4 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dd4 n ALA 29 N 1.27 -2.54 -1.20 -1.41 0.00 -1.26 -4.93 120.51 110.43 2dd4 n ALA 29 Ca 0.26 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2dd4 n ALA 29 Cb 0.40 -4.45 0.10 0.00 0.00 0.00 0.00 19.45 15.50 2dd4 n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dd4 s PRO 30 N -5.49 2.02 0.76 0.00 0.04 -1.26 -4.99 135.00 126.07 2dd4 s PRO 30 Ca 0.46 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2dd4 s PRO 30 Cb -0.14 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2dd4 s PRO 30 CO 0.83 -1.87 1.12 0.00 0.04 0.00 0.00 177.00 177.12 2dd4 s ALA 31 N -2.46 2.17 0.53 8.56 0.00 -1.26 -4.89 121.76 124.41 2dd4 s ALA 31 Ca 0.68 0.48 0.23 0.00 0.00 0.00 0.00 51.96 53.34 2dd4 s ALA 31 Cb -0.23 -3.34 1.37 0.00 0.00 0.00 0.00 23.12 20.92 2dd4 s ALA 31 CO 0.50 -1.81 2.04 -1.35 0.00 0.00 0.00 175.76 175.14 2dd4 h PRO 32 N -0.82 0.00 0.00 0.00 0.11 -1.96 0.31 132.00 129.64 2dd4 h PRO 32 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dd4 h PRO 32 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2dd4 h PRO 32 CO 0.50 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.54 2dd4 n THR 33 N -4.41 1.12 1.07 -1.15 -2.24 -1.26 -1.73 114.28 105.68 2dd4 n THR 33 Ca 0.06 0.29 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 2dd4 n THR 33 Cb 0.47 -1.09 0.19 0.00 -2.10 0.00 0.00 70.33 67.80 2dd4 n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dd4 n GLU 34 N -1.57 2.20 -3.65 -0.78 -0.58 0.10 -4.85 120.64 111.51 2dd4 n GLU 34 Ca 0.03 -1.74 -0.39 0.00 -0.42 0.00 0.00 57.16 54.63 2dd4 n GLU 34 Cb 0.15 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.44 2dd4 n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dd4 s ILE 35 N -1.97 4.50 0.70 -3.67 -1.09 -0.70 -5.01 121.20 113.95 2dd4 s ILE 35 Ca 0.31 -0.64 -0.06 0.00 -2.23 0.00 0.00 60.65 58.03 2dd4 s ILE 35 Cb 0.20 -3.39 0.07 0.00 -1.58 0.00 0.00 42.46 37.76 2dd4 s ILE 35 CO 0.31 -0.06 1.00 0.42 -1.23 0.00 0.00 174.94 175.38 2dd4 s THR 36 N 1.57 2.30 0.26 2.92 -4.23 -1.26 -4.86 115.64 112.34 2dd4 s THR 36 Ca 0.03 -0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 2dd4 s THR 36 Cb -0.18 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.84 2dd4 s THR 36 CO 0.06 0.00 1.82 -0.74 -0.54 0.00 0.00 174.62 175.22 2dd4 h HIS 37 N -0.56 0.98 -0.51 3.99 2.76 -1.98 0.34 115.15 120.15 2dd4 h HIS 37 Ca -0.44 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 57.67 2dd4 h HIS 37 Cb 1.31 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 2dd4 h HIS 37 CO 0.26 0.78 0.32 1.15 -1.30 0.00 0.00 177.93 179.14 2dd4 h THR 38 N 0.93 1.09 -0.49 6.26 2.02 -1.99 -0.10 112.91 120.63 2dd4 h THR 38 Ca 0.21 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 2dd4 h THR 38 Cb 0.25 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2dd4 h THR 38 CO -0.01 0.12 -0.21 -0.07 0.37 0.00 0.00 175.52 175.72 2dd4 h LEU 39 N 0.65 1.03 -0.28 2.58 4.07 -1.84 -1.97 115.31 119.55 2dd4 h LEU 39 Ca 0.20 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2dd4 h LEU 39 Cb -0.03 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.42 2dd4 h LEU 39 CO -0.07 1.19 0.19 0.15 -1.08 0.00 0.00 178.44 178.82 2dd4 h PHE 40 N 0.86 0.35 -0.40 1.13 3.57 -0.50 0.19 116.94 122.14 2dd4 h PHE 40 Ca 0.11 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2dd4 h PHE 40 Cb 0.79 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2dd4 h PHE 40 CO 0.05 0.22 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.25 2dd4 h ARG 41 N 0.38 0.64 -0.25 1.11 2.43 -0.96 -1.31 114.38 116.42 2dd4 h ARG 41 Ca 0.10 -0.16 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 2dd4 h ARG 41 Cb -0.04 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2dd4 h ARG 41 CO -0.02 0.67 -0.60 0.00 -1.51 0.00 0.00 179.97 178.50 2dd4 h ALA 42 N 1.39 0.45 -0.12 2.80 0.00 -0.81 -2.67 119.26 120.29 2dd4 h ALA 42 Ca 0.12 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 2dd4 h ALA 42 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dd4 h ALA 42 CO 0.02 0.68 -0.64 1.88 0.00 0.00 0.00 179.25 181.19 2dd4 h TYR 43 N 0.63 0.56 -0.42 0.00 0.05 -0.43 -3.08 116.97 114.28 2dd4 h TYR 43 Ca -0.00 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.55 2dd4 h TYR 43 Cb 1.21 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2dd4 h TYR 43 CO 0.07 0.95 0.00 0.25 -1.05 0.00 0.00 178.16 178.39 2dd4 n THR 44 N -3.89 0.84 -0.69 -2.88 -2.24 -0.51 -4.95 114.28 99.96 2dd4 n THR 44 Ca -0.04 -0.65 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 2dd4 n THR 44 Cb 0.65 0.14 0.17 0.00 -2.10 0.00 0.00 70.33 69.19 2dd4 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dd4 s ARG 45 N -1.56 0.99 -0.45 -0.78 1.70 -1.01 -4.96 118.95 112.88 2dd4 s ARG 45 Ca 0.30 1.55 -0.19 0.00 -0.47 0.00 0.00 55.73 56.92 2dd4 s ARG 45 Cb 0.18 -1.72 0.03 0.00 -0.57 0.00 0.00 34.95 32.86 2dd4 s ARG 45 CO 0.18 -2.65 0.54 0.08 -1.08 0.00 0.00 175.30 172.36 2dd4 s VAL 46 N -2.65 4.97 0.39 4.99 1.01 -1.26 -4.97 120.40 122.88 2dd4 s VAL 46 Ca 0.67 -0.28 0.24 0.00 0.00 0.00 0.00 61.98 62.61 2dd4 s VAL 46 Cb -0.23 -4.15 0.39 0.00 0.00 0.00 0.00 36.38 32.39 2dd4 s VAL 46 CO 0.58 -0.56 1.57 -2.65 0.00 0.00 0.00 175.10 174.03 2dd4 n PRO 47 N 5.90 -0.05 0.10 2.72 -0.02 -1.26 -1.77 135.00 140.61 2dd4 n PRO 47 Ca -0.06 1.34 0.11 0.00 -2.02 0.00 0.00 63.50 62.87 2dd4 n PRO 47 Cb 0.47 -2.46 0.45 0.00 -0.02 0.00 0.00 33.50 31.94 2dd4 n PRO 47 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2dd4 n HIS 48 N -5.10 0.65 -2.77 6.00 1.44 -1.15 -4.44 115.22 109.85 2dd4 n HIS 48 Ca 0.38 0.25 -0.43 0.00 -2.01 0.00 0.00 57.72 55.90 2dd4 n HIS 48 Cb 1.36 -0.90 -0.00 0.00 0.12 0.00 0.00 29.99 30.57 2dd4 n HIS 48 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2dd4 s ASP 49 N -4.01 6.96 0.00 4.39 2.15 -0.73 -4.70 116.67 120.73 2dd4 s ASP 49 Ca 0.06 -2.74 0.16 0.00 0.43 0.00 0.00 52.55 50.46 2dd4 s ASP 49 Cb 0.10 -2.49 -0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2dd4 s ASP 49 CO 0.40 -0.95 0.76 1.33 -0.17 0.00 0.00 175.17 176.53 2dd4 n VAL 50 N 5.49 0.00 -1.67 1.11 0.24 -1.26 -4.98 118.33 117.25 2dd4 n VAL 50 Ca 0.43 -0.22 -0.52 0.00 -2.04 0.00 0.00 64.34 61.99 2dd4 n VAL 50 Cb 0.44 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 2dd4 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dd4 n GLY 51 N 1.28 0.98 0.00 7.63 0.00 -1.26 -1.78 105.19 112.04 2dd4 n GLY 51 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2dd4 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dd4 n GLY 52 N 3.75 1.51 3.77 -0.02 0.00 -1.26 -5.06 105.19 107.88 2dd4 n GLY 52 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2dd4 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dd4 s GLU 53 N -0.95 4.28 0.30 1.61 2.02 -0.73 -4.97 118.70 120.26 2dd4 s GLU 53 Ca 0.00 2.05 -0.29 0.00 0.02 0.00 0.00 54.97 56.74 2dd4 s GLU 53 Cb 0.00 -2.95 -0.10 0.00 0.10 0.00 0.00 34.13 31.18 2dd4 s GLU 53 CO 0.00 -0.19 1.23 0.00 0.02 0.00 0.00 175.26 176.32 2dd4 s ALA 54 N -1.23 3.47 0.17 5.21 0.00 -1.26 -5.02 121.76 123.10 2dd4 s ALA 54 Ca 0.51 1.11 -0.14 0.00 0.00 0.00 0.00 51.96 53.44 2dd4 s ALA 54 Cb -0.36 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.35 2dd4 s ALA 54 CO 0.47 -0.45 0.41 0.34 0.00 0.00 0.00 175.76 176.52 2dd4 s ASP 55 N -0.52 -0.13 0.60 0.00 -1.08 -1.26 -5.18 116.67 109.09 2dd4 s ASP 55 Ca 0.48 -0.60 -0.02 0.00 -0.52 0.00 0.00 52.55 51.89 2dd4 s ASP 55 Cb -0.36 0.50 0.04 0.00 -1.46 0.00 0.00 42.92 41.64 2dd4 s ASP 55 CO 0.47 -0.96 0.86 0.68 0.52 0.00 0.00 175.17 176.74 2dd4 s VAL 56 N -3.90 2.71 0.28 1.11 -7.23 -1.26 -5.07 120.40 107.04 2dd4 s VAL 56 Ca 0.11 -0.47 -0.26 0.00 -1.81 0.00 0.00 61.98 59.55 2dd4 s VAL 56 Cb 0.01 -3.07 -0.09 0.00 0.56 0.00 0.00 36.38 33.79 2dd4 s VAL 56 CO -0.04 -0.06 0.89 -2.84 -0.31 0.00 0.00 175.10 172.75 2dd4 s PRO 57 N -4.92 4.57 0.03 4.82 0.02 -1.26 -5.05 135.00 133.20 2dd4 s PRO 57 Ca 0.57 1.27 0.02 0.00 0.02 0.00 0.00 61.00 62.88 2dd4 s PRO 57 Cb -0.10 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.47 2dd4 s PRO 57 CO 0.41 0.36 -0.08 0.96 -0.33 0.00 0.00 177.00 178.32 2dd4 s ILE 58 N -1.49 0.57 -0.77 2.83 -4.36 -1.26 -5.07 121.20 111.64 2dd4 s ILE 58 Ca 0.46 -0.80 -0.26 0.00 -0.26 0.00 0.00 60.65 59.79 2dd4 s ILE 58 Cb -0.20 -0.58 0.01 0.00 1.25 0.00 0.00 42.46 42.95 2dd4 s ILE 58 CO 0.25 -0.18 1.52 -0.70 0.24 0.00 0.00 174.94 176.07 2dd4 s GLU 59 N -1.07 3.06 0.31 0.37 2.12 -1.26 -4.94 118.70 117.29 2dd4 s GLU 59 Ca -0.05 -0.19 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 2dd4 s GLU 59 Cb -0.07 -4.53 -0.12 0.00 0.26 0.00 0.00 34.13 29.67 2dd4 s GLU 59 CO 0.00 -2.42 1.37 0.66 -0.54 0.00 0.00 175.26 174.33 2dd4 n TYR 60 N 10.57 2.37 -4.37 5.30 4.01 -1.26 -5.01 117.16 128.77 2dd4 n TYR 60 Ca 0.16 0.48 -0.19 0.00 -0.16 0.00 0.00 57.90 58.19 2dd4 n TYR 60 Cb 0.50 -2.46 -0.10 0.00 -0.31 0.00 0.00 39.34 36.97 2dd4 n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dd4 s HIS 61 N -0.72 1.76 0.36 -0.72 -3.43 -1.26 -5.15 115.29 106.14 2dd4 s HIS 61 Ca 0.59 -0.71 0.04 0.00 -0.80 0.00 0.00 55.06 54.18 2dd4 s HIS 61 Cb -0.57 -0.95 -0.01 0.00 -1.43 0.00 0.00 32.58 29.61 2dd4 s HIS 61 CO 0.58 0.23 0.53 -1.21 -2.00 0.00 0.00 174.74 172.87 2dd4 s GLU 62 N -3.73 3.17 -0.04 -0.38 0.41 -1.26 -5.11 118.70 111.75 2dd4 s GLU 62 Ca 0.26 -0.74 -0.02 0.00 -0.41 0.00 0.00 54.97 54.07 2dd4 s GLU 62 Cb 0.03 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.68 2dd4 s GLU 62 CO 0.09 -0.00 0.08 0.21 -0.49 0.00 0.00 175.26 175.15 2dd4 s LYS 63 N -4.30 0.03 0.59 1.61 2.20 -1.26 -5.14 119.74 113.49 2dd4 s LYS 63 Ca 0.44 0.25 -0.20 0.00 -0.36 0.00 0.00 55.97 56.11 2dd4 s LYS 63 Cb -0.10 -0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.01 2dd4 s LYS 63 CO 0.34 -0.14 1.29 -1.21 -0.36 0.00 0.00 175.35 175.26 2dd4 s GLU 64 N 0.96 2.89 -0.10 4.03 2.02 -1.26 -4.95 118.70 122.29 2dd4 s GLU 64 Ca -0.08 2.05 -0.27 0.00 0.02 0.00 0.00 54.97 56.70 2dd4 s GLU 64 Cb -0.11 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 2dd4 s GLU 64 CO -0.04 -1.33 0.86 -2.00 0.02 0.00 0.00 175.26 172.77 2dd4 s GLU 65 N -3.19 4.40 0.48 1.61 2.12 -1.26 -5.04 118.70 117.83 2dd4 s GLU 65 Ca 0.77 1.13 -0.20 0.00 0.36 0.00 0.00 54.97 57.03 2dd4 s GLU 65 Cb -0.36 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.42 2dd4 s GLU 65 CO 0.40 -0.18 1.04 -1.21 -0.54 0.00 0.00 175.26 174.77 2dd4 s GLU 66 N 1.60 3.81 0.25 4.30 0.41 -1.26 -4.94 118.70 122.88 2dd4 s GLU 66 Ca 0.43 1.37 -0.05 0.00 -0.41 0.00 0.00 54.97 56.30 2dd4 s GLU 66 Cb -0.18 -2.11 0.30 0.00 -1.78 0.00 0.00 34.13 30.37 2dd4 s GLU 66 CO 0.18 -0.42 1.92 0.82 -0.49 0.00 0.00 175.26 177.26 2dd4 h ILE 67 N 1.58 1.21 0.00 -1.63 2.04 -2.00 -1.54 117.51 117.16 2dd4 h ILE 67 Ca -0.49 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 2dd4 h ILE 67 Cb 1.22 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2dd4 h ILE 67 CO 0.59 0.24 -0.19 4.11 0.00 0.00 0.00 178.15 182.90 2dd4 h TRP 68 N 1.31 0.00 -0.11 1.37 5.08 -1.99 -1.99 115.95 119.62 2dd4 h TRP 68 Ca 0.39 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 60.19 2dd4 h TRP 68 Cb -0.07 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.10 2dd4 h TRP 68 CO -0.00 0.19 -0.60 0.93 -1.28 0.00 0.00 178.44 177.67 2dd4 h GLU 69 N 0.00 0.60 -0.61 0.12 5.08 -1.67 -0.96 114.58 117.14 2dd4 h GLU 69 Ca -0.00 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2dd4 h GLU 69 Cb 0.55 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2dd4 h GLU 69 CO 0.02 1.12 0.30 1.25 -1.00 0.00 0.00 179.01 180.70 2dd4 h LEU 70 N 0.23 0.79 -0.93 1.33 5.85 -1.10 0.33 115.31 121.80 2dd4 h LEU 70 Ca -0.04 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 2dd4 h LEU 70 Cb 1.25 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2dd4 h LEU 70 CO 0.12 0.69 -0.11 0.78 -0.34 0.00 0.00 178.44 179.59 2dd4 h ASN 71 N 0.83 0.64 -0.24 1.25 2.35 -1.36 -1.77 115.58 117.28 2dd4 h ASN 71 Ca 0.21 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2dd4 h ASN 71 Cb 0.10 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2dd4 h ASN 71 CO -0.03 0.79 0.01 0.74 -1.65 0.00 0.00 177.43 177.29 2dd4 h THR 72 N 0.60 1.25 -0.21 2.81 2.02 -0.68 -0.78 112.91 117.92 2dd4 h THR 72 Ca 0.11 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.46 2dd4 h THR 72 Cb 0.54 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 2dd4 h THR 72 CO 0.03 0.27 -0.03 0.15 0.37 0.00 0.00 175.52 176.32 2dd4 h PHE 73 N 0.20 -0.06 -0.87 3.16 3.57 -0.73 -0.35 116.94 121.86 2dd4 h PHE 73 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2dd4 h PHE 73 Cb 0.39 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 2dd4 h PHE 73 CO 0.03 -0.06 0.57 0.00 -2.23 0.00 0.00 178.31 176.62 2dd4 h ALA 74 N 1.19 1.10 -0.51 2.41 0.00 -1.24 -1.72 119.26 120.50 2dd4 h ALA 74 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2dd4 h ALA 74 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2dd4 h ALA 74 CO -0.19 0.51 0.25 1.15 0.00 0.00 0.00 179.25 180.97 2dd4 h THR 75 N 1.18 1.19 -0.62 0.00 2.02 -0.52 0.58 112.91 116.74 2dd4 h THR 75 Ca 0.32 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 2dd4 h THR 75 Cb -0.13 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2dd4 h THR 75 CO -0.07 0.22 0.10 0.00 0.37 0.00 0.00 175.52 176.14 2dd4 h GLU 77 N 0.93 0.51 -0.45 0.00 4.39 -1.18 -2.71 114.58 116.08 2dd4 h GLU 77 Ca 0.19 -0.38 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 2dd4 h GLU 77 Cb 0.42 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2dd4 h GLU 77 CO 0.01 1.00 -0.12 0.00 -1.16 0.00 0.00 179.01 178.74 2dd4 h LEU 79 N 0.75 0.78 -0.10 0.00 3.38 -1.09 -0.04 115.31 118.99 2dd4 h LEU 79 Ca 0.12 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2dd4 h LEU 79 Cb 0.62 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2dd4 h LEU 79 CO 0.04 0.80 -0.44 0.00 0.09 0.00 0.00 178.44 178.93 2dd4 h ALA 80 N 1.30 0.19 -0.69 1.53 0.00 -1.12 0.17 119.26 120.65 2dd4 h ALA 80 Ca 0.17 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.72 2dd4 h ALA 80 Cb 0.35 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2dd4 h ALA 80 CO 0.01 0.33 0.25 2.35 0.00 0.00 0.00 179.25 182.18 2dd4 h TRP 81 N 0.06 0.42 -0.34 0.00 7.01 0.05 -1.40 115.95 121.76 2dd4 h TRP 81 Ca -0.03 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2dd4 h TRP 81 Cb 1.08 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 28.02 2dd4 h TRP 81 CO 0.11 0.06 0.07 0.54 -2.79 0.00 0.00 178.44 176.43 2dd4 n ARG 82 N -5.02 2.71 -1.03 2.65 5.12 -0.06 -4.92 116.66 116.11 2dd4 n ARG 82 Ca 0.12 -1.59 -0.01 0.00 -1.93 0.00 0.00 57.85 54.44 2dd4 n ARG 82 Cb 0.36 -1.83 -0.00 0.00 -1.16 0.00 0.00 32.46 29.82 2dd4 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd4 n GLY 83 N 0.18 0.43 0.18 -0.13 0.00 -0.53 -4.90 105.19 100.42 2dd4 n GLY 83 Ca 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2dd4 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dd4 h VAL 84 N 0.00 1.34 -2.36 1.61 2.07 -0.86 -3.47 116.25 114.58 2dd4 h VAL 84 Ca -0.02 -1.66 0.17 0.00 0.82 0.00 0.00 66.70 66.02 2dd4 h VAL 84 Cb 0.31 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 2dd4 h VAL 84 CO 0.03 0.49 0.48 -1.66 0.02 0.00 0.00 177.57 176.93 2dd4 s TRP 85 N -3.99 -0.12 0.32 1.57 -2.14 -1.23 -5.00 118.94 108.34 2dd4 s TRP 85 Ca -0.03 -0.20 0.07 0.00 2.66 0.00 0.00 56.10 58.59 2dd4 s TRP 85 Cb 0.13 0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 31.13 2dd4 s TRP 85 CO 0.77 -0.85 0.34 0.95 -2.66 0.00 0.00 176.95 175.49 2dd4 s THR 86 N -3.23 3.90 0.39 0.66 -4.23 -1.26 -4.12 115.64 107.74 2dd4 s THR 86 Ca 0.13 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 2dd4 s THR 86 Cb -0.02 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 70.77 2dd4 s THR 86 CO 0.03 -0.20 2.03 0.00 -0.54 0.00 0.00 174.62 175.94 2dd4 h ALA 87 N 1.17 1.63 -0.44 3.99 0.00 -1.96 -2.07 119.26 121.57 2dd4 h ALA 87 Ca -0.46 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 2dd4 h ALA 87 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2dd4 h ALA 87 CO 0.57 0.33 -0.08 0.93 0.00 0.00 0.00 179.25 181.01 2dd4 h GLU 88 N 0.66 0.77 -0.62 0.00 4.39 -1.99 0.53 114.58 118.31 2dd4 h GLU 88 Ca 0.18 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2dd4 h GLU 88 Cb -0.05 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2dd4 h GLU 88 CO -0.04 0.83 0.12 0.93 -1.16 0.00 0.00 179.01 179.70 2dd4 h GLU 89 N 0.71 1.00 0.07 2.33 5.08 -1.79 -1.62 114.58 120.35 2dd4 h GLU 89 Ca 0.13 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2dd4 h GLU 89 Cb 0.54 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dd4 h GLU 89 CO 0.03 0.91 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.83 2dd4 h ARG 90 N 0.95 -0.09 -0.60 2.33 2.43 -0.79 -2.01 114.38 116.60 2dd4 h ARG 90 Ca 0.20 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2dd4 h ARG 90 Cb 0.38 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2dd4 h ARG 90 CO 0.01 0.07 0.32 0.00 -1.51 0.00 0.00 179.97 178.86 2dd4 h ARG 91 N -0.23 0.58 -0.57 0.20 3.08 -0.72 0.51 114.38 117.22 2dd4 h ARG 91 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2dd4 h ARG 91 Cb 0.20 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2dd4 h ARG 91 CO 0.02 0.38 0.35 -0.09 -1.07 0.00 0.00 179.97 179.56 2dd4 h ARG 92 N 0.59 0.77 -0.07 0.04 1.12 -1.22 0.26 114.38 115.88 2dd4 h ARG 92 Ca 0.27 -0.07 -0.17 0.00 -1.11 0.00 0.00 59.98 58.90 2dd4 h ARG 92 Cb 0.18 -0.16 0.01 0.00 -0.01 0.00 0.00 29.97 29.99 2dd4 h ARG 92 CO -0.18 0.55 -0.62 0.87 -3.11 0.00 0.00 179.97 177.47 2dd4 h LYS 93 N 0.77 0.54 0.02 0.20 1.57 -0.80 -0.52 116.57 118.35 2dd4 h LYS 93 Ca 0.21 -0.49 -0.20 0.00 -1.87 0.00 0.00 60.65 58.30 2dd4 h LYS 93 Cb -0.03 0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.42 2dd4 h LYS 93 CO -0.04 1.12 -0.77 0.37 -0.57 0.00 0.00 179.45 179.56 2dd4 h GLN 94 N 0.14 0.49 -0.01 3.15 4.15 0.08 -3.03 115.11 120.08 2dd4 h GLN 94 Ca -0.06 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 58.81 2dd4 h GLN 94 Cb 1.29 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2dd4 h GLN 94 CO 0.13 1.19 -0.50 0.09 -1.93 0.00 0.00 178.83 177.81 2dd4 n ASN 95 N -4.09 2.00 0.07 -0.69 3.02 0.91 -4.51 115.26 111.96 2dd4 n ASN 95 Ca -0.11 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 2dd4 n ASN 95 Cb 0.76 0.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 2dd4 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dd4 h ASP 97 N 0.00 0.00 0.50 0.00 3.32 -1.05 -1.50 116.42 117.69 2dd4 h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dd4 h ASP 97 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2dd4 h ASP 97 CO 0.00 0.00 0.00 -0.37 -1.72 0.00 0.00 179.24 177.15 2dd4 h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.76 -3.49 116.25 108.14 2dd4 h VAL 98 Ca 0.07 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2dd4 h VAL 98 Cb 0.44 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2dd4 h VAL 98 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2dd4 n GLY 99 N -0.52 -2.17 0.31 5.19 0.00 -0.57 -4.34 105.19 103.11 2dd4 n GLY 99 Ca -0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 2dd4 n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dd4 h GLN 100 N 0.00 -0.07 0.70 1.61 5.75 -1.94 -0.24 115.11 120.93 2dd4 h GLN 100 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2dd4 h GLN 100 Cb 0.00 0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.57 2dd4 h GLN 100 CO 0.00 -0.04 -0.34 1.15 -2.65 0.00 0.00 178.83 176.95 2dd4 h THR 101 N -0.07 0.31 -0.40 2.39 2.02 -2.00 -2.82 112.91 112.35 2dd4 h THR 101 Ca 0.30 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.42 2dd4 h THR 101 Cb 0.55 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2dd4 h THR 101 CO -0.75 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 175.71 2dd4 h VAL 102 N -0.94 1.22 -0.96 3.16 2.07 -1.73 0.22 116.25 119.29 2dd4 h VAL 102 Ca -0.10 -0.90 0.11 0.00 0.82 0.00 0.00 66.70 66.64 2dd4 h VAL 102 Cb 0.72 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 2dd4 h VAL 102 CO 0.16 0.31 0.59 0.22 0.02 0.00 0.00 177.57 178.87 2dd4 h TYR 103 N 0.60 1.07 0.00 1.57 3.20 -0.90 -2.15 116.97 120.36 2dd4 h TYR 103 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2dd4 h TYR 103 Cb 0.39 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2dd4 h TYR 103 CO 0.02 0.43 -1.03 1.28 -1.64 0.00 0.00 178.16 177.21 2dd4 n LEU 104 N -4.65 0.33 0.04 2.82 4.77 -1.08 -4.59 117.00 114.64 2dd4 n LEU 104 Ca 0.17 -0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 55.84 2dd4 n LEU 104 Cb 0.33 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 2dd4 n LEU 104 CO 0.27 0.08 -0.13 1.23 -1.33 0.00 0.00 177.39 177.52 2dd4 h GLY 105 N 2.70 0.00 -2.71 -0.72 0.00 -0.46 -3.47 103.07 98.41 2dd4 h GLY 105 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2dd4 h GLY 105 CO 0.00 0.00 -0.40 1.06 0.00 0.00 0.00 176.54 177.20 2dd4 s MET 106 N -2.80 2.96 0.56 4.80 -1.94 -0.82 -5.03 119.30 117.02 2dd4 s MET 106 Ca -0.01 -1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 52.66 2dd4 s MET 106 Cb 0.09 -2.66 -0.05 0.00 2.01 0.00 0.00 34.83 34.21 2dd4 s MET 106 CO 0.80 0.11 1.09 -2.14 -0.01 0.00 0.00 175.02 174.87 2dd4 s PRO 107 N -4.07 3.35 0.10 2.03 0.02 -1.26 -4.90 135.00 130.26 2dd4 s PRO 107 Ca 0.42 1.42 -0.22 0.00 0.02 0.00 0.00 61.00 62.64 2dd4 s PRO 107 Cb -0.08 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 2dd4 s PRO 107 CO 0.29 -0.82 1.37 -0.92 -0.33 0.00 0.00 177.00 176.59 2dd4 h TYR 108 N 0.90 -1.21 0.00 6.54 3.20 -1.97 0.13 116.97 124.57 2dd4 h TYR 108 Ca -0.49 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2dd4 h TYR 108 Cb 1.24 0.58 0.00 0.00 1.54 0.00 0.00 36.73 40.09 2dd4 h TYR 108 CO 0.55 -0.31 0.00 1.88 -1.64 0.00 0.00 178.16 178.64 2dd4 h TYR 109 N -0.19 0.00 -0.57 -3.82 0.05 -1.99 -2.34 116.97 108.12 2dd4 h TYR 109 Ca 0.07 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 2dd4 h TYR 109 Cb 0.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2dd4 h TYR 109 CO -0.78 0.00 0.00 0.78 -1.05 0.00 0.00 178.16 177.11 2dd4 h GLY 110 N 1.99 1.05 1.59 3.88 0.00 -1.36 -1.33 103.07 108.89 2dd4 h GLY 110 Ca 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.45 2dd4 h GLY 110 CO 0.00 0.69 -0.48 3.21 0.00 0.00 0.00 176.54 179.96 2dd4 h ARG 111 N 0.89 0.44 0.05 4.80 3.08 -0.79 -1.62 114.38 121.23 2dd4 h ARG 111 Ca 0.16 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2dd4 h ARG 111 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2dd4 h ARG 111 CO 0.03 0.83 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.24 2dd4 h TRP 112 N 0.35 -0.06 -0.13 3.04 4.06 -1.30 -1.98 115.95 119.93 2dd4 h TRP 112 Ca 0.02 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2dd4 h TRP 112 Cb 0.97 0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 2dd4 h TRP 112 CO 0.03 0.06 0.08 1.25 -3.56 0.00 0.00 178.44 176.30 2dd4 h LEU 113 N -0.17 0.16 -1.08 -4.49 5.85 -1.16 -0.33 115.31 114.09 2dd4 h LEU 113 Ca -0.01 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2dd4 h LEU 113 Cb 0.15 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2dd4 h LEU 113 CO 0.01 0.17 0.62 -0.07 -0.34 0.00 0.00 178.44 178.84 2dd4 h LEU 114 N 0.13 1.06 -0.81 2.25 3.38 -1.31 -1.87 115.31 118.14 2dd4 h LEU 114 Ca 0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2dd4 h LEU 114 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2dd4 h LEU 114 CO -0.01 0.76 -0.35 0.74 0.09 0.00 0.00 178.44 179.68 2dd4 h THR 115 N 1.25 0.76 -0.24 0.22 2.02 -1.06 0.12 112.91 115.98 2dd4 h THR 115 Ca 0.35 -1.51 -0.18 0.00 0.77 0.00 0.00 66.41 65.83 2dd4 h THR 115 Cb -0.11 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2dd4 h THR 115 CO -0.08 0.34 -0.58 0.00 0.37 0.00 0.00 175.52 175.56 2dd4 h ALA 116 N 1.65 0.51 -0.41 6.16 0.00 -0.34 -1.22 119.26 125.62 2dd4 h ALA 116 Ca -0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 2dd4 h ALA 116 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dd4 h ALA 116 CO 0.04 0.69 -0.22 0.00 0.00 0.00 0.00 179.25 179.76 2dd4 h ALA 117 N 0.75 0.84 -0.20 0.00 0.00 -1.04 -3.11 119.26 116.51 2dd4 h ALA 117 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2dd4 h ALA 117 Cb 1.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dd4 h ALA 117 CO 0.12 0.64 0.11 -0.09 0.00 0.00 0.00 179.25 180.03 2dd4 h ARG 118 N 0.71 0.28 -0.66 0.00 9.65 -0.67 -2.74 114.38 120.96 2dd4 h ARG 118 Ca 0.10 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2dd4 h ARG 118 Cb 0.74 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 2dd4 h ARG 118 CO 0.06 0.26 0.43 0.97 2.80 0.00 0.00 179.97 184.49 2dd4 h ILE 119 N 0.22 1.14 -0.75 1.20 -0.00 -1.22 0.25 117.51 118.36 2dd4 h ILE 119 Ca 0.07 -0.29 -0.01 0.00 -0.00 0.00 0.00 64.86 64.62 2dd4 h ILE 119 Cb 0.06 0.21 -0.04 0.00 -0.00 0.00 0.00 36.82 37.06 2dd4 h ILE 119 CO -0.01 0.16 0.42 -0.07 -0.00 0.00 0.00 178.15 178.64 2dd4 h LEU 120 N 0.85 0.94 0.01 2.19 3.38 -1.42 -1.93 115.31 119.33 2dd4 h LEU 120 Ca 0.25 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2dd4 h LEU 120 Cb -0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2dd4 h LEU 120 CO -0.06 0.76 -0.19 0.58 0.09 0.00 0.00 178.44 179.62 2dd4 h VAL 121 N 1.04 1.61 -0.63 1.22 2.07 -1.11 0.21 116.25 120.66 2dd4 h VAL 121 Ca 0.27 -2.05 0.03 0.00 0.82 0.00 0.00 66.70 65.77 2dd4 h VAL 121 Cb 0.03 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 2dd4 h VAL 121 CO -0.04 0.55 0.42 0.44 0.02 0.00 0.00 177.57 178.95 2dd4 h ASP 122 N -0.65 0.63 -0.51 0.57 3.32 -0.51 -0.27 116.42 119.01 2dd4 h ASP 122 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2dd4 h ASP 122 Cb 1.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2dd4 h ASP 122 CO 0.04 0.44 0.00 0.29 -1.72 0.00 0.00 179.24 178.28 2dd4 n LYS 123 N -4.46 3.47 -3.06 3.56 5.02 -0.73 -4.94 118.16 117.02 2dd4 n LYS 123 Ca 0.08 -2.37 -0.21 0.00 -2.02 0.00 0.00 58.31 53.78 2dd4 n LYS 123 Cb 0.14 -1.87 0.01 0.00 -0.02 0.00 0.00 35.03 33.28 2dd4 n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dd4 n GLN 124 N 0.77 -3.61 0.18 1.97 6.02 -0.11 -4.84 117.38 117.76 2dd4 n GLN 124 Ca 0.21 0.65 0.12 0.00 -0.01 0.00 0.00 57.00 57.98 2dd4 n GLN 124 Cb 0.82 -5.39 0.23 0.00 1.02 0.00 0.00 30.24 26.92 2dd4 n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dd4 h PHE 125 N -0.90 0.00 -3.00 1.08 0.04 -0.82 -3.44 116.94 109.89 2dd4 h PHE 125 Ca -0.44 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.20 2dd4 h PHE 125 Cb 1.30 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 39.24 2dd4 h PHE 125 CO 0.63 0.00 -0.29 0.14 -0.60 0.00 0.00 178.31 178.18 2dd4 s VAL 126 N -3.18 0.04 0.58 -0.55 -7.23 -0.99 -5.02 120.40 104.04 2dd4 s VAL 126 Ca 0.08 -0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 2dd4 s VAL 126 Cb 0.07 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2dd4 s VAL 126 CO 0.65 -0.18 0.96 0.42 -0.31 0.00 0.00 175.10 176.64 2dd4 s THR 127 N -0.84 4.76 0.42 5.32 -4.23 -1.26 -4.16 115.64 115.65 2dd4 s THR 127 Ca -0.09 0.70 0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2dd4 s THR 127 Cb -0.04 -3.87 0.19 0.00 1.34 0.00 0.00 72.50 70.12 2dd4 s THR 127 CO 0.03 -1.06 1.98 0.25 -0.54 0.00 0.00 174.62 175.29 2dd4 h LEU 128 N -0.14 0.17 -0.60 4.79 5.85 -1.96 -1.79 115.31 121.62 2dd4 h LEU 128 Ca -0.45 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2dd4 h LEU 128 Cb 1.19 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2dd4 h LEU 128 CO 0.62 0.28 0.38 0.74 -0.34 0.00 0.00 178.44 180.11 2dd4 h THR 129 N 0.18 1.17 -0.74 1.05 2.02 -1.99 0.76 112.91 115.36 2dd4 h THR 129 Ca 0.04 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2dd4 h THR 129 Cb 0.26 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2dd4 h THR 129 CO 0.01 0.17 0.30 -0.33 0.37 0.00 0.00 175.52 176.05 2dd4 h GLU 130 N 0.82 1.09 0.08 6.66 5.08 -1.71 0.61 114.58 127.22 2dd4 h GLU 130 Ca 0.22 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dd4 h GLU 130 Cb -0.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2dd4 h GLU 130 CO -0.04 0.88 -0.04 1.25 -1.00 0.00 0.00 179.01 180.06 2dd4 h LEU 131 N 1.07 -0.09 -0.69 1.33 5.85 -0.98 -0.34 115.31 121.46 2dd4 h LEU 131 Ca 0.25 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2dd4 h LEU 131 Cb 0.19 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2dd4 h LEU 131 CO -0.02 0.24 0.37 0.45 -0.34 0.00 0.00 178.44 179.14 2dd4 h HIS 132 N -0.43 0.68 -0.54 1.25 3.86 -0.72 -1.43 115.15 117.81 2dd4 h HIS 132 Ca -0.01 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2dd4 h HIS 132 Cb 0.37 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 2dd4 h HIS 132 CO 0.03 0.31 0.03 -0.91 0.86 0.00 0.00 177.93 178.25 2dd4 h ASN 133 N 0.68 0.87 -0.23 2.45 2.35 -0.77 -1.85 115.58 119.08 2dd4 h ASN 133 Ca 0.31 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 2dd4 h ASN 133 Cb 0.23 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2dd4 h ASN 133 CO -0.20 0.91 -0.17 0.50 -1.65 0.00 0.00 177.43 176.81 2dd4 h LYS 134 N 0.84 0.66 -0.46 0.81 1.63 -0.49 -1.75 116.57 117.81 2dd4 h LYS 134 Ca 0.16 -0.23 -0.13 0.00 -0.85 0.00 0.00 60.65 59.60 2dd4 h LYS 134 Cb 0.45 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2dd4 h LYS 134 CO 0.02 0.80 -0.21 0.82 -3.45 0.00 0.00 179.45 177.42 2dd4 h ILE 135 N 0.59 1.27 -0.18 2.00 2.04 -0.97 -0.68 117.51 121.58 2dd4 h ILE 135 Ca 0.09 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 2dd4 h ILE 135 Cb 0.63 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2dd4 h ILE 135 CO 0.04 0.47 0.10 0.58 0.00 0.00 0.00 178.15 179.34 2dd4 h VAL 136 N 0.80 1.11 -0.47 1.67 2.07 -1.12 -1.10 116.25 119.21 2dd4 h VAL 136 Ca 0.10 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2dd4 h VAL 136 Cb 0.79 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2dd4 h VAL 136 CO 0.07 0.10 0.26 -0.08 0.02 0.00 0.00 177.57 177.94 2dd4 h GLU 137 N 0.18 0.65 -0.69 1.57 4.22 -1.26 -2.07 114.58 117.18 2dd4 h GLU 137 Ca 0.06 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.46 2dd4 h GLU 137 Cb 0.08 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2dd4 h GLU 137 CO -0.01 0.50 0.43 1.98 -2.18 0.00 0.00 179.01 179.74 2dd4 h MET 138 N 0.62 0.83 -0.72 1.92 4.05 -0.91 -0.11 114.93 120.61 2dd4 h MET 138 Ca 0.17 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2dd4 h MET 138 Cb 0.04 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 2dd4 h MET 138 CO -0.03 0.55 0.36 0.00 0.23 0.00 0.00 176.91 178.03 2dd4 h ARG 139 N 0.86 1.03 -0.74 0.39 3.08 -0.96 -2.08 114.38 115.95 2dd4 h ARG 139 Ca 0.27 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 2dd4 h ARG 139 Cb -0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2dd4 h ARG 139 CO -0.10 0.79 0.32 0.93 -1.07 0.00 0.00 179.97 180.84 2dd4 h GLU 140 N 1.00 1.09 -0.60 0.04 5.08 -0.80 -0.58 114.58 119.81 2dd4 h GLU 140 Ca 0.25 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2dd4 h GLU 140 Cb 0.09 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2dd4 h GLU 140 CO -0.03 0.88 0.28 -0.09 -1.00 0.00 0.00 179.01 179.05 2dd4 h ARG 141 N 1.06 0.50 -0.04 2.33 2.43 -0.47 0.77 114.38 120.95 2dd4 h ARG 141 Ca 0.25 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2dd4 h ARG 141 Cb 0.18 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2dd4 h ARG 141 CO -0.02 0.33 -0.03 0.28 -1.51 0.00 0.00 179.97 179.02 2dd4 h VAL 142 N 0.52 1.35 -0.48 0.20 2.07 -0.98 -3.15 116.25 115.77 2dd4 h VAL 142 Ca 0.28 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2dd4 h VAL 142 Cb 0.25 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2dd4 h VAL 142 CO -0.22 0.30 0.20 0.00 0.02 0.00 0.00 177.57 177.86 2dd4 h ALA 143 N 0.58 1.45 0.00 1.67 0.00 -0.84 -2.76 119.26 119.36 2dd4 h ALA 143 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2dd4 h ALA 143 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2dd4 h ALA 143 CO 0.01 0.42 -0.25 0.66 0.00 0.00 0.00 179.25 180.09 2dd4 h SER 144 N 0.68 0.00 0.00 0.00 4.64 -0.90 -3.47 113.55 114.50 2dd4 h SER 144 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2dd4 h SER 144 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2dd4 h SER 144 CO -0.02 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 2dd4 n GLY 145 N -0.42 0.85 0.20 -0.77 0.00 -1.04 -4.96 105.19 99.04 2dd4 n GLY 145 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2dd4 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dd4 n GLN 146 N -1.89 1.26 0.00 1.61 10.64 -1.19 -1.13 117.38 126.69 2dd4 n GLN 146 Ca 0.00 -0.39 0.00 0.00 -1.83 0.00 0.00 57.00 54.78 2dd4 n GLN 146 Cb 0.00 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 2dd4 n GLN 146 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dd4 n GLY 147 N 0.97 -0.99 2.49 2.61 0.00 -1.25 -4.15 105.19 104.86 2dd4 n GLY 147 Ca 0.17 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 2dd4 n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dd4 s LEU 148 N -3.50 0.84 0.00 0.99 2.96 0.12 -4.44 118.68 115.66 2dd4 s LEU 148 Ca 0.00 -1.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.00 2dd4 s LEU 148 Cb 0.00 -0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.31 2dd4 s LEU 148 CO 0.00 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2dd4 n GLY 149 N 4.42 2.54 0.33 7.98 0.00 -1.26 -0.71 105.19 118.49 2dd4 n GLY 149 Ca 0.06 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.13 2dd4 n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dd4 n GLU 150 N 14.00 1.45 0.03 1.61 0.28 -1.26 -3.89 120.64 132.86 2dd4 n GLU 150 Ca 0.00 -0.67 -0.06 0.00 -0.16 0.00 0.00 57.16 56.27 2dd4 n GLU 150 Cb 0.00 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.27 2dd4 n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dd4 h TYR 151 N 1.63 0.00 -2.21 -1.84 0.05 -1.36 -3.46 116.97 109.77 2dd4 h TYR 151 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dd4 h TYR 151 Cb 0.35 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.86 2dd4 h TYR 151 CO 0.00 0.90 -0.17 -1.17 -1.05 0.00 0.00 178.16 176.67 2dd4 s LEU 152 N -6.34 -0.84 0.69 3.88 2.96 -0.89 -4.93 118.68 113.21 2dd4 s LEU 152 Ca -0.01 1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 55.12 2dd4 s LEU 152 Cb 0.09 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.76 2dd4 s LEU 152 CO 0.81 -0.22 1.07 -2.16 -1.32 0.00 0.00 176.35 174.53 2dd4 s PRO 153 N 2.30 3.00 0.69 0.98 0.04 -1.26 0.15 135.00 140.90 2dd4 s PRO 153 Ca -0.07 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.53 2dd4 s PRO 153 Cb -0.10 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2dd4 s PRO 153 CO -0.17 -0.99 1.14 -2.14 0.04 0.00 0.00 177.00 174.88 2dd4 s PRO 154 N -5.20 2.52 0.30 0.56 0.02 -1.26 -4.17 135.00 127.77 2dd4 s PRO 154 Ca 0.57 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 2dd4 s PRO 154 Cb -0.12 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 2dd4 s PRO 154 CO 0.54 -1.49 1.15 0.15 -0.33 0.00 0.00 177.00 177.01 2dd4 s LYS 155 N -4.09 4.52 0.00 5.54 1.02 -0.28 -4.90 119.74 121.54 2dd4 s LYS 155 Ca 0.69 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.57 2dd4 s LYS 155 Cb -0.23 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2dd4 s LYS 155 CO 0.44 0.07 0.00 0.00 -0.92 0.00 0.00 175.35 174.94 2dd4 n ALA 156 N 0.97 0.00 1.38 5.17 0.00 -1.26 -5.01 120.51 121.77 2dd4 n ALA 156 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 2dd4 n ALA 156 Cb 0.44 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.32 2dd4 n ALA 156 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86