#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dg8 n PRO 8 N 0.00 0.43 -0.78 0.11 -0.02 -1.26 -3.07 135.00 130.40 2dg8 n PRO 8 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 2dg8 n PRO 8 Cb 0.00 -1.05 0.38 0.00 -0.02 0.00 0.00 33.50 32.81 2dg8 n PRO 8 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2dg8 n GLN 9 N -0.55 4.42 0.04 -0.52 3.00 -1.26 -4.44 117.38 118.06 2dg8 n GLN 9 Ca 0.01 -3.06 -0.11 0.00 -0.01 0.00 0.00 57.00 53.83 2dg8 n GLN 9 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 30.24 28.13 2dg8 n GLN 9 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2dg8 h ARG 10 N 3.96 0.49 -0.27 -1.09 2.43 -1.98 -1.93 114.38 115.99 2dg8 h ARG 10 Ca 0.00 -0.40 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 2dg8 h ARG 10 Cb 1.78 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2dg8 h ARG 10 CO 0.39 1.03 -0.00 -0.09 -1.51 0.00 0.00 179.97 179.79 2dg8 h ARG 11 N 0.33 0.47 -0.92 0.20 2.43 -1.89 -1.70 114.38 113.30 2dg8 h ARG 11 Ca -0.03 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2dg8 h ARG 11 Cb 1.32 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 2dg8 h ARG 11 CO 0.13 0.64 0.61 0.93 -1.51 0.00 0.00 179.97 180.77 2dg8 h GLU 12 N 0.26 1.20 -0.22 0.20 5.08 -1.83 -1.43 114.58 117.82 2dg8 h GLU 12 Ca 0.08 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2dg8 h GLU 12 Cb 0.42 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2dg8 h GLU 12 CO 0.01 0.79 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.54 2dg8 h ARG 13 N 1.23 0.39 -0.43 2.33 2.43 -1.08 -1.62 114.38 117.64 2dg8 h ARG 13 Ca 0.34 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2dg8 h ARG 13 Cb -0.11 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2dg8 h ARG 13 CO -0.08 0.57 0.01 0.82 -1.51 0.00 0.00 179.97 179.78 2dg8 h ILE 14 N 0.36 1.26 -0.53 1.20 2.04 -0.34 -1.45 117.51 120.06 2dg8 h ILE 14 Ca 0.06 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2dg8 h ILE 14 Cb 0.54 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2dg8 h ILE 14 CO 0.04 0.35 0.29 -0.07 0.00 0.00 0.00 178.15 178.75 2dg8 h LEU 15 N 0.60 0.66 -0.47 1.44 3.38 -0.96 -1.40 115.31 118.57 2dg8 h LEU 15 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dg8 h LEU 15 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2dg8 h LEU 15 CO 0.02 0.57 0.24 0.00 0.09 0.00 0.00 178.44 179.35 2dg8 h ALA 16 N 1.12 0.60 -0.30 1.53 0.00 -1.17 -1.88 119.26 119.16 2dg8 h ALA 16 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dg8 h ALA 16 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2dg8 h ALA 16 CO -0.03 0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.39 2dg8 h ALA 17 N 1.08 1.49 -0.52 0.00 0.00 -1.03 0.43 119.26 120.71 2dg8 h ALA 17 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2dg8 h ALA 17 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2dg8 h ALA 17 CO -0.02 0.37 0.07 1.15 0.00 0.00 0.00 179.25 180.82 2dg8 h THR 18 N 0.43 1.25 -0.24 0.00 2.02 -0.78 0.13 112.91 115.73 2dg8 h THR 18 Ca 0.10 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 2dg8 h THR 18 Cb 0.25 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2dg8 h THR 18 CO 0.00 0.35 0.01 -0.07 0.37 0.00 0.00 175.52 176.18 2dg8 h LEU 19 N 0.75 0.41 -0.14 2.58 4.07 -0.59 -0.93 115.31 121.45 2dg8 h LEU 19 Ca 0.16 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 57.86 2dg8 h LEU 19 Cb 0.42 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 2dg8 h LEU 19 CO 0.01 0.60 -0.10 0.44 -1.08 0.00 0.00 178.44 178.32 2dg8 h ASP 20 N 0.20 -0.33 -0.10 -0.43 3.45 -0.80 -0.41 116.42 118.01 2dg8 h ASP 20 Ca 0.07 0.07 0.04 0.00 0.43 0.00 0.00 57.03 57.64 2dg8 h ASP 20 Cb 0.39 0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 39.29 2dg8 h ASP 20 CO 0.01 -0.14 -0.13 0.25 -1.57 0.00 0.00 179.24 177.66 2dg8 h LEU 21 N -0.11 -0.41 -0.38 1.55 7.12 -0.81 -0.23 115.31 122.04 2dg8 h LEU 21 Ca 0.09 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2dg8 h LEU 21 Cb 0.24 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2dg8 h LEU 21 CO -0.21 -0.18 0.25 0.40 -0.13 0.00 0.00 178.44 178.57 2dg8 h ILE 22 N -0.18 1.10 -0.51 4.05 2.04 -0.91 0.17 117.51 123.28 2dg8 h ILE 22 Ca 0.08 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2dg8 h ILE 22 Cb 0.29 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2dg8 h ILE 22 CO -0.21 0.10 0.31 0.00 0.00 0.00 0.00 178.15 178.35 2dg8 h ALA 23 N 1.13 0.65 0.03 1.87 0.00 -0.77 0.87 119.26 123.04 2dg8 h ALA 23 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2dg8 h ALA 23 Cb -0.04 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2dg8 h ALA 23 CO -0.03 0.02 -0.24 0.93 0.00 0.00 0.00 179.25 179.93 2dg8 h GLU 24 N 0.62 0.11 0.00 0.00 5.08 -0.82 -3.41 114.58 116.17 2dg8 h GLU 24 Ca 0.20 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2dg8 h GLU 24 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dg8 h GLU 24 CO -0.08 1.01 -0.69 0.39 -1.00 0.00 0.00 179.01 178.64 2dg8 n GLU 25 N -4.49 2.60 0.00 2.33 1.02 0.58 -5.09 120.64 117.59 2dg8 n GLU 25 Ca -0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2dg8 n GLU 25 Cb 0.55 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2dg8 n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dg8 n GLY 26 N 1.34 1.86 0.34 0.62 0.00 0.30 -4.55 105.19 105.10 2dg8 n GLY 26 Ca 0.02 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.19 2dg8 n GLY 26 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2dg8 h ILE 27 N 0.00 1.08 0.00 -0.61 6.09 -1.89 -2.60 117.51 119.58 2dg8 h ILE 27 Ca 0.00 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 63.11 2dg8 h ILE 27 Cb 0.00 -0.10 -0.00 0.00 0.47 0.00 0.00 36.82 37.19 2dg8 h ILE 27 CO 0.00 0.20 -0.02 0.00 -3.07 0.00 0.00 178.15 175.25 2dg8 h ALA 28 N 1.42 1.16 -0.07 0.18 0.00 -1.96 -1.76 119.26 118.23 2dg8 h ALA 28 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dg8 h ALA 28 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dg8 h ALA 28 CO -0.16 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.66 2dg8 n ARG 29 N -3.35 1.38 -2.08 0.00 5.12 -0.98 -4.88 116.66 111.87 2dg8 n ARG 29 Ca -0.02 -0.57 -0.42 0.00 -1.93 0.00 0.00 57.85 54.91 2dg8 n ARG 29 Cb 0.14 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 2dg8 n ARG 29 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dg8 s VAL 30 N -1.91 3.47 -0.02 1.55 1.01 -0.66 -4.94 120.40 118.90 2dg8 s VAL 30 Ca 0.33 0.82 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 2dg8 s VAL 30 Cb 0.17 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 33.07 2dg8 s VAL 30 CO 0.26 -0.02 0.51 -0.94 0.00 0.00 0.00 175.10 174.92 2dg8 s SER 31 N 2.37 -0.44 0.21 3.32 1.04 -1.26 -5.06 113.70 113.88 2dg8 s SER 31 Ca 0.69 0.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 2dg8 s SER 31 Cb -0.34 0.45 0.28 0.00 0.10 0.00 0.00 66.02 66.51 2dg8 s SER 31 CO 0.29 -0.57 1.77 0.45 0.98 0.00 0.00 173.24 176.15 2dg8 h HIS 32 N 3.27 0.54 -0.14 5.02 3.86 -1.99 -2.00 115.15 123.71 2dg8 h HIS 32 Ca -0.29 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 2dg8 h HIS 32 Cb 1.17 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2dg8 h HIS 32 CO 0.43 0.19 0.03 0.00 0.86 0.00 0.00 177.93 179.45 2dg8 h ARG 33 N 0.53 0.22 -0.91 2.45 3.08 -1.97 -1.36 114.38 116.43 2dg8 h ARG 33 Ca 0.32 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2dg8 h ARG 33 Cb 0.33 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2dg8 h ARG 33 CO -0.26 0.38 0.51 0.00 -1.07 0.00 0.00 179.97 179.52 2dg8 h ARG 34 N 0.03 1.26 -0.18 0.04 3.08 -1.88 -2.35 114.38 114.38 2dg8 h ARG 34 Ca 0.04 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 2dg8 h ARG 34 Cb 0.26 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2dg8 h ARG 34 CO 0.00 0.92 -0.18 0.82 -1.07 0.00 0.00 179.97 180.46 2dg8 h ILE 35 N 1.27 1.33 -0.63 2.04 2.04 -1.32 -2.53 117.51 119.73 2dg8 h ILE 35 Ca 0.32 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.92 2dg8 h ILE 35 Cb 0.01 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 2dg8 h ILE 35 CO -0.05 0.40 0.29 0.00 0.00 0.00 0.00 178.15 178.79 2dg8 h ALA 36 N 0.63 0.83 -0.45 1.87 0.00 -1.10 0.11 119.26 121.16 2dg8 h ALA 36 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dg8 h ALA 36 Cb 0.72 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2dg8 h ALA 36 CO 0.04 -0.09 0.28 0.37 0.00 0.00 0.00 179.25 179.85 2dg8 h GLN 37 N 0.53 0.55 -0.39 0.00 5.75 -1.37 0.18 115.11 120.35 2dg8 h GLN 37 Ca 0.30 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.67 2dg8 h GLN 37 Cb 0.29 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2dg8 h GLN 37 CO -0.24 0.36 -0.16 0.00 -2.65 0.00 0.00 178.83 176.13 2dg8 h ARG 38 N 0.56 0.72 0.00 1.69 3.08 -0.91 -2.21 114.38 117.31 2dg8 h ARG 38 Ca 0.17 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2dg8 h ARG 38 Cb -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2dg8 h ARG 38 CO -0.06 0.85 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 2dg8 n ALA 39 N -2.49 2.33 -3.42 0.04 0.00 0.30 -4.93 120.51 112.34 2dg8 n ALA 39 Ca 0.01 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 2dg8 n ALA 39 Cb 0.39 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.44 2dg8 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dg8 n GLY 40 N 1.50 -0.70 2.99 0.00 0.00 0.53 -4.91 105.19 104.60 2dg8 n GLY 40 Ca 0.07 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 2dg8 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dg8 s VAL 41 N -3.42 0.10 0.57 1.61 -7.23 -0.63 -5.04 120.40 106.35 2dg8 s VAL 41 Ca 0.21 -0.79 -0.21 0.00 -1.81 0.00 0.00 61.98 59.38 2dg8 s VAL 41 Cb -0.04 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 2dg8 s VAL 41 CO 0.76 -0.43 1.30 -0.81 -0.31 0.00 0.00 175.10 175.60 2dg8 n PRO 42 N 1.71 1.50 -0.34 4.82 -0.04 -1.26 -4.44 135.00 136.96 2dg8 n PRO 42 Ca -0.23 0.56 0.17 0.00 -0.04 0.00 0.00 63.50 63.96 2dg8 n PRO 42 Cb 0.56 -2.52 0.37 0.00 -0.04 0.00 0.00 33.50 31.87 2dg8 n PRO 42 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2dg8 h LEU 43 N 1.17 0.63 -2.50 1.53 5.85 -1.93 0.33 115.31 120.39 2dg8 h LEU 43 Ca -0.50 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2dg8 h LEU 43 Cb 1.32 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 2dg8 h LEU 43 CO 0.56 0.09 -0.00 1.23 -0.34 0.00 0.00 178.44 179.98 2dg8 h GLY 44 N 0.56 0.00 2.00 3.75 0.00 -1.98 -2.10 103.07 105.30 2dg8 h GLY 44 Ca 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 2dg8 h GLY 44 CO -0.48 0.00 -0.06 1.76 0.00 0.00 0.00 176.54 177.75 2dg8 h SER 45 N 0.00 0.00 0.53 0.19 0.02 -1.26 -2.32 113.55 110.70 2dg8 h SER 45 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2dg8 h SER 45 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2dg8 h SER 45 CO 0.00 0.06 -0.25 0.24 -1.14 0.00 0.00 176.83 175.74 2dg8 h MET 46 N 0.00 -0.68 0.00 3.45 2.07 -1.53 -2.61 114.93 115.63 2dg8 h MET 46 Ca -0.00 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2dg8 h MET 46 Cb 0.17 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 2dg8 h MET 46 CO 0.01 -0.43 0.00 0.25 1.07 0.00 0.00 176.91 177.81 2dg8 n THR 47 N -5.37 0.07 0.01 2.22 -2.24 -1.13 -1.42 114.28 106.41 2dg8 n THR 47 Ca -0.12 0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 2dg8 n THR 47 Cb 0.30 -0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 67.91 2dg8 n THR 47 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2dg8 h TYR 48 N 0.00 0.96 0.00 4.78 3.20 -1.25 -3.36 116.97 121.30 2dg8 h TYR 48 Ca 0.00 -0.48 -0.09 0.00 3.14 0.00 0.00 58.73 61.30 2dg8 h TYR 48 Cb 0.49 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2dg8 h TYR 48 CO 0.00 1.30 -1.60 0.72 -1.64 0.00 0.00 178.16 176.94 2dg8 n HIS 49 N -3.98 0.55 -4.70 -3.82 8.25 -1.00 -4.95 115.22 105.58 2dg8 n HIS 49 Ca -0.09 0.17 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 2dg8 n HIS 49 Cb 0.78 -0.86 -0.16 0.00 1.12 0.00 0.00 29.99 30.87 2dg8 n HIS 49 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2dg8 s PHE 50 N -3.18 1.48 0.27 4.41 0.08 -0.51 -5.01 117.98 115.52 2dg8 s PHE 50 Ca -0.05 -0.41 0.29 0.00 0.12 0.00 0.00 56.93 56.89 2dg8 s PHE 50 Cb 0.10 -1.01 1.35 0.00 -0.57 0.00 0.00 43.02 42.89 2dg8 s PHE 50 CO 0.84 -0.14 2.00 1.79 -0.10 0.00 0.00 175.22 179.60 2dg8 h THR 51 N 5.29 0.37 0.00 0.64 1.35 -1.86 -3.39 112.91 115.32 2dg8 h THR 51 Ca -0.33 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2dg8 h THR 51 Cb 1.17 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2dg8 h THR 51 CO 0.48 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2dg8 n GLY 52 N -0.27 -1.05 0.24 5.82 0.00 -1.26 -5.01 105.19 103.66 2dg8 n GLY 52 Ca -0.01 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.97 2dg8 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2dg8 h ILE 53 N 1.00 1.16 -0.00 -0.61 6.09 -1.99 -2.54 117.51 120.62 2dg8 h ILE 53 Ca 0.00 -0.70 -0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2dg8 h ILE 53 Cb 0.00 1.20 -0.00 0.00 0.47 0.00 0.00 36.82 38.49 2dg8 h ILE 53 CO 0.00 0.22 0.00 -0.08 -3.07 0.00 0.00 178.15 175.22 2dg8 h GLU 54 N 0.18 0.00 -0.79 2.19 4.81 -1.98 0.26 114.58 119.26 2dg8 h GLU 54 Ca 0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2dg8 h GLU 54 Cb 0.33 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2dg8 h GLU 54 CO 0.02 0.26 0.45 0.37 -0.73 0.00 0.00 179.01 179.37 2dg8 h GLN 55 N -0.25 1.09 0.06 1.92 4.15 -1.93 0.20 115.11 120.34 2dg8 h GLN 55 Ca 0.00 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.31 2dg8 h GLN 55 Cb 0.26 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2dg8 h GLN 55 CO 0.00 0.79 -0.12 1.25 -1.93 0.00 0.00 178.83 178.83 2dg8 h LEU 56 N 1.09 -0.32 -0.85 -2.39 7.12 -1.26 0.15 115.31 118.85 2dg8 h LEU 56 Ca 0.28 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.29 2dg8 h LEU 56 Cb 0.01 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 2dg8 h LEU 56 CO -0.05 -0.17 0.34 -0.07 -0.13 0.00 0.00 178.44 178.36 2dg8 h LEU 57 N -0.23 1.08 -0.50 2.25 3.38 -0.09 0.13 115.31 121.33 2dg8 h LEU 57 Ca 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2dg8 h LEU 57 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2dg8 h LEU 57 CO -0.07 0.94 0.10 0.03 0.09 0.00 0.00 178.44 179.54 2dg8 h ARG 58 N 1.15 0.81 -0.07 1.13 3.08 -0.26 -0.82 114.38 119.41 2dg8 h ARG 58 Ca 0.27 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 2dg8 h ARG 58 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2dg8 h ARG 58 CO -0.03 0.79 -0.60 0.93 -1.07 0.00 0.00 179.97 180.00 2dg8 h GLU 59 N 0.69 0.23 0.02 0.04 5.08 -0.39 -1.25 114.58 119.01 2dg8 h GLU 59 Ca 0.15 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dg8 h GLU 59 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2dg8 h GLU 59 CO 0.01 0.76 -0.01 0.00 -1.00 0.00 0.00 179.01 178.77 2dg8 h ALA 60 N 1.20 -0.03 0.00 3.43 0.00 -0.53 -1.89 119.26 121.45 2dg8 h ALA 60 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dg8 h ALA 60 Cb 1.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dg8 h ALA 60 CO 0.09 -0.30 -0.15 0.74 0.00 0.00 0.00 179.25 179.63 2dg8 h PHE 61 N -0.47 0.00 -0.17 0.00 0.05 -1.20 -1.90 116.94 113.26 2dg8 h PHE 61 Ca -0.00 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.60 2dg8 h PHE 61 Cb 0.44 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.39 2dg8 h PHE 61 CO 0.07 0.15 -0.64 0.78 -0.18 0.00 0.00 178.31 178.50 2dg8 h GLY 62 N 2.04 0.67 0.91 -1.45 0.00 -1.16 0.14 103.07 104.23 2dg8 h GLY 62 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 2dg8 h GLY 62 CO 0.02 0.76 -0.01 -0.09 0.00 0.00 0.00 176.54 177.23 2dg8 h ARG 63 N 0.45 0.62 -0.77 4.80 2.43 -0.73 -0.53 114.38 120.64 2dg8 h ARG 63 Ca -0.01 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 2dg8 h ARG 63 Cb 1.21 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 2dg8 h ARG 63 CO 0.12 0.74 0.37 0.35 -1.51 0.00 0.00 179.97 180.04 2dg8 h PHE 64 N 0.42 1.11 -0.51 2.20 3.04 -1.28 -2.33 116.94 119.58 2dg8 h PHE 64 Ca 0.10 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 2dg8 h PHE 64 Cb 0.46 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 2dg8 h PHE 64 CO 0.04 0.80 0.30 1.15 -2.02 0.00 0.00 178.31 178.58 2dg8 h THR 65 N 1.10 1.16 -0.96 4.41 2.02 -0.66 -2.36 112.91 117.63 2dg8 h THR 65 Ca 0.27 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2dg8 h THR 65 Cb 0.11 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2dg8 h THR 65 CO -0.03 0.17 0.63 0.44 0.37 0.00 0.00 175.52 177.09 2dg8 h ASP 66 N 0.68 1.06 -0.07 4.18 3.45 -0.71 -1.94 116.42 123.08 2dg8 h ASP 66 Ca 0.18 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 2dg8 h ASP 66 Cb 0.00 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 2dg8 h ASP 66 CO -0.03 0.75 0.04 -0.74 -1.57 0.00 0.00 179.24 177.69 2dg8 h HIS 67 N 1.24 0.09 -0.32 4.55 2.76 -0.93 -1.41 115.15 121.14 2dg8 h HIS 67 Ca 0.37 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.40 2dg8 h HIS 67 Cb -0.06 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2dg8 h HIS 67 CO -0.00 0.11 -0.35 0.82 -1.30 0.00 0.00 177.93 177.20 2dg8 h ILE 68 N 0.05 1.28 -0.84 6.26 1.08 -1.28 -2.22 117.51 121.86 2dg8 h ILE 68 Ca 0.03 -1.51 0.02 0.00 -0.39 0.00 0.00 64.86 63.00 2dg8 h ILE 68 Cb 0.04 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 2dg8 h ILE 68 CO -0.00 0.49 0.55 0.58 -0.69 0.00 0.00 178.15 179.08 2dg8 h VAL 69 N 0.61 1.19 0.00 1.67 2.07 -1.24 0.69 116.25 121.24 2dg8 h VAL 69 Ca 0.06 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2dg8 h VAL 69 Cb 0.89 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2dg8 h VAL 69 CO 0.08 0.20 -0.33 0.00 0.02 0.00 0.00 177.57 177.54 2dg8 h ALA 70 N 1.49 1.35 -0.26 1.67 0.00 -0.84 -1.46 119.26 121.20 2dg8 h ALA 70 Ca 0.31 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2dg8 h ALA 70 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2dg8 h ALA 70 CO -0.08 0.42 -0.23 0.28 0.00 0.00 0.00 179.25 179.64 2dg8 h VAL 71 N 0.00 1.26 -0.35 0.00 2.07 -0.29 0.29 116.25 119.22 2dg8 h VAL 71 Ca -0.00 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 2dg8 h VAL 71 Cb 0.63 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2dg8 h VAL 71 CO 0.04 0.39 -0.01 -0.26 0.02 0.00 0.00 177.57 177.76 2dg8 h PHE 72 N 0.44 0.69 -0.59 1.57 0.04 -0.59 -2.53 116.94 115.97 2dg8 h PHE 72 Ca 0.07 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 2dg8 h PHE 72 Cb 0.65 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 2dg8 h PHE 72 CO 0.02 0.74 0.33 0.22 -0.60 0.00 0.00 178.31 179.02 2dg8 h ASP 73 N 0.44 0.74 -0.36 2.17 -0.00 -0.70 0.15 116.42 118.87 2dg8 h ASP 73 Ca 0.10 -0.09 0.05 0.00 -0.00 0.00 0.00 57.03 57.09 2dg8 h ASP 73 Cb 0.47 -0.19 -0.04 0.00 -0.00 0.00 0.00 39.33 39.57 2dg8 h ASP 73 CO 0.02 0.62 0.09 -0.08 -0.00 0.00 0.00 179.24 179.89 2dg8 h GLU 74 N 0.80 0.22 0.00 0.28 4.81 -0.29 0.45 114.58 120.85 2dg8 h GLU 74 Ca 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2dg8 h GLU 74 Cb 0.04 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2dg8 h GLU 74 CO -0.03 0.14 -0.00 0.45 -0.73 0.00 0.00 179.01 178.84 2dg8 h HIS 75 N 0.22 -0.00 -0.13 0.92 3.86 -1.23 -3.33 115.15 115.47 2dg8 h HIS 75 Ca 0.17 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.18 2dg8 h HIS 75 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2dg8 h HIS 75 CO -0.17 0.80 -0.71 -0.07 0.86 0.00 0.00 177.93 178.63 2dg8 h LEU 76 N -0.80 0.68 -2.25 2.43 -0.00 -0.71 -3.20 115.31 111.47 2dg8 h LEU 76 Ca -0.00 -0.43 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2dg8 h LEU 76 Cb 0.80 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2dg8 h LEU 76 CO 0.00 1.19 -0.00 1.23 -0.00 0.00 0.00 178.44 180.86 2dg8 h GLY 77 N 0.98 0.00 -0.72 0.83 0.00 -0.25 -1.64 103.07 102.26 2dg8 h GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2dg8 h GLY 77 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.67 2dg8 n ALA 78 N -2.42 2.52 -2.71 3.60 0.00 -1.21 -4.87 120.51 115.41 2dg8 n ALA 78 Ca -0.03 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 2dg8 n ALA 78 Cb 0.09 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2dg8 n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dg8 s ALA 79 N -1.78 3.49 0.04 0.00 0.00 -0.62 -4.99 121.76 117.90 2dg8 s ALA 79 Ca 0.30 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.12 2dg8 s ALA 79 Cb 0.16 -2.62 -0.23 0.00 0.00 0.00 0.00 23.12 20.43 2dg8 s ALA 79 CO 0.23 0.02 0.97 0.00 0.00 0.00 0.00 175.76 176.98 2dg8 h ALA 80 N 6.67 0.51 -3.55 0.00 0.00 -1.89 -3.46 119.26 117.54 2dg8 h ALA 80 Ca -0.41 -1.17 -0.19 0.00 0.00 0.00 0.00 54.91 53.14 2dg8 h ALA 80 Cb 1.18 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2dg8 h ALA 80 CO 0.75 1.38 -0.09 -0.40 0.00 0.00 0.00 179.25 180.88 2dg8 n ASP 81 N -3.24 -0.93 -0.05 0.00 5.75 -1.26 -5.03 116.55 111.78 2dg8 n ASP 81 Ca -0.09 -2.28 -0.08 0.00 -0.01 0.00 0.00 54.79 52.33 2dg8 n ASP 81 Cb 1.00 1.74 -0.01 0.00 -1.03 0.00 0.00 41.12 42.82 2dg8 n ASP 81 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2dg8 h ARG 82 N 0.00 -0.13 -0.56 0.11 3.08 -1.95 0.25 114.38 115.19 2dg8 h ARG 82 Ca -0.19 0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.96 2dg8 h ARG 82 Cb 0.81 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.81 2dg8 h ARG 82 CO 0.25 -0.08 0.16 -0.44 -1.07 0.00 0.00 179.97 178.79 2dg8 h ASP 83 N -0.13 0.11 0.06 7.04 3.32 -1.99 0.21 116.42 125.05 2dg8 h ASP 83 Ca 0.13 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 2dg8 h ASP 83 Cb 0.33 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2dg8 h ASP 83 CO -0.32 0.08 -0.46 -0.33 -1.72 0.00 0.00 179.24 176.48 2dg8 h GLU 84 N 0.32 0.47 -0.28 3.56 5.08 -1.87 -2.47 114.58 119.39 2dg8 h GLU 84 Ca 0.28 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dg8 h GLU 84 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2dg8 h GLU 84 CO -0.32 0.84 0.17 0.00 -1.00 0.00 0.00 179.01 178.69 2dg8 h ALA 85 N 1.12 0.36 -0.69 3.43 0.00 0.32 0.54 119.26 124.34 2dg8 h ALA 85 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dg8 h ALA 85 Cb 0.96 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2dg8 h ALA 85 CO 0.08 -0.14 0.46 0.00 0.00 0.00 0.00 179.25 179.65 2dg8 h ARG 86 N 0.35 0.90 -0.39 0.00 3.08 -0.55 0.17 114.38 117.94 2dg8 h ARG 86 Ca 0.10 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 2dg8 h ARG 86 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2dg8 h ARG 86 CO -0.02 0.60 -0.17 1.49 -1.07 0.00 0.00 179.97 180.80 2dg8 h GLU 87 N 0.93 0.73 -0.62 0.04 4.57 -1.05 -2.46 114.58 116.71 2dg8 h GLU 87 Ca 0.25 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2dg8 h GLU 87 Cb -0.10 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2dg8 h GLU 87 CO -0.06 0.85 0.05 0.00 -1.18 0.00 0.00 179.01 178.66 2dg8 h ALA 88 N 1.17 0.91 -0.43 2.92 0.00 1.00 -2.56 119.26 122.26 2dg8 h ALA 88 Ca 0.10 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2dg8 h ALA 88 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2dg8 h ALA 88 CO 0.05 0.66 -0.06 0.28 0.00 0.00 0.00 179.25 180.17 2dg8 h VAL 89 N 0.97 1.25 -0.64 0.00 2.07 -0.41 -0.66 116.25 118.82 2dg8 h VAL 89 Ca 0.18 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 2dg8 h VAL 89 Cb 0.50 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2dg8 h VAL 89 CO 0.02 0.37 0.30 0.00 0.02 0.00 0.00 177.57 178.28 2dg8 h ALA 90 N 1.25 0.83 -0.71 1.67 0.00 -1.20 0.10 119.26 121.20 2dg8 h ALA 90 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2dg8 h ALA 90 Cb 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2dg8 h ALA 90 CO 0.03 0.40 0.38 -0.44 0.00 0.00 0.00 179.25 179.62 2dg8 h ASP 91 N 0.89 0.91 -0.12 0.00 3.45 -1.04 -1.94 116.42 118.58 2dg8 h ASP 91 Ca 0.22 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 2dg8 h ASP 91 Cb 0.13 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2dg8 h ASP 91 CO -0.03 0.76 0.07 0.25 -1.57 0.00 0.00 179.24 178.72 2dg8 h LEU 92 N 0.99 0.14 -0.37 1.55 6.46 -0.42 -0.86 115.31 122.79 2dg8 h LEU 92 Ca 0.25 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 2dg8 h LEU 92 Cb 0.06 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2dg8 h LEU 92 CO -0.04 0.13 0.17 0.58 -0.62 0.00 0.00 178.44 178.67 2dg8 h VAL 93 N 0.13 0.96 -0.38 1.05 2.07 -0.70 -0.74 116.25 118.65 2dg8 h VAL 93 Ca 0.04 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 2dg8 h VAL 93 Cb 0.02 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2dg8 h VAL 93 CO -0.01 0.07 -0.34 0.45 0.02 0.00 0.00 177.57 177.76 2dg8 h HIS 94 N 0.36 1.01 -0.29 1.57 3.86 -1.22 -2.01 115.15 118.43 2dg8 h HIS 94 Ca 0.16 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 2dg8 h HIS 94 Cb 0.08 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2dg8 h HIS 94 CO -0.11 1.07 0.09 1.49 0.86 0.00 0.00 177.93 181.33 2dg8 h GLU 95 N 0.71 0.45 0.00 2.45 4.81 -0.94 -2.51 114.58 119.55 2dg8 h GLU 95 Ca 0.07 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2dg8 h GLU 95 Cb 0.90 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2dg8 h GLU 95 CO 0.08 0.51 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.51 2dg8 h LEU 96 N 0.30 0.00 0.00 1.64 3.38 -1.10 -0.73 115.31 118.79 2dg8 h LEU 96 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2dg8 h LEU 96 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dg8 h LEU 96 CO -0.00 0.29 -0.25 0.77 0.09 0.00 0.00 178.44 179.34 2dg8 h SER 97 N 0.00 0.00 0.00 -0.43 4.64 -1.16 -3.42 113.55 113.17 2dg8 h SER 97 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dg8 h SER 97 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2dg8 h SER 97 CO 0.04 0.07 -0.00 -1.84 -0.87 0.00 0.00 176.83 174.23 2dg8 n GLU 98 N -3.04 0.81 0.03 4.77 0.28 -0.96 -3.96 120.64 118.57 2dg8 n GLU 98 Ca 0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.85 2dg8 n GLU 98 Cb 0.57 -0.07 -0.08 0.00 1.43 0.00 0.00 31.44 33.29 2dg8 n GLU 98 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2dg8 h ASP 99 N 0.00 0.84 -3.43 -1.84 3.45 -1.32 -3.43 116.42 110.68 2dg8 h ASP 99 Ca 0.00 -0.64 -0.57 0.00 0.43 0.00 0.00 57.03 56.25 2dg8 h ASP 99 Cb 0.00 -0.26 -0.39 0.00 -0.56 0.00 0.00 39.33 38.12 2dg8 h ASP 99 CO 0.00 1.44 -0.77 -0.55 -1.57 0.00 0.00 179.24 177.79 2dg8 s SER 100 N -7.21 3.45 0.35 6.45 0.15 -1.26 -4.97 113.70 110.66 2dg8 s SER 100 Ca -0.09 -1.07 0.09 0.00 0.70 0.00 0.00 55.95 55.59 2dg8 s SER 100 Cb 0.08 -0.89 0.64 0.00 -1.71 0.00 0.00 66.02 64.14 2dg8 s SER 100 CO 0.91 -0.28 1.81 -0.61 1.20 0.00 0.00 173.24 176.26 2dg8 h GLN 101 N 8.09 0.16 -0.49 5.44 4.15 -1.96 -2.04 115.11 128.46 2dg8 h GLN 101 Ca -0.17 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 2dg8 h GLN 101 Cb 1.09 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 2dg8 h GLN 101 CO 0.38 0.46 0.26 -0.09 -1.93 0.00 0.00 178.83 177.91 2dg8 h ARG 102 N 0.14 0.70 -0.56 1.69 2.43 -1.96 -0.09 114.38 116.73 2dg8 h ARG 102 Ca 0.02 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 2dg8 h ARG 102 Cb 0.63 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2dg8 h ARG 102 CO 0.05 0.56 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.61 2dg8 h ASP 103 N 0.65 0.97 -0.41 -3.80 3.45 -1.90 -0.96 116.42 114.42 2dg8 h ASP 103 Ca 0.17 -0.31 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 2dg8 h ASP 103 Cb 0.07 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 2dg8 h ASP 103 CO -0.03 1.05 0.24 0.25 -1.57 0.00 0.00 179.24 179.18 2dg8 h LEU 104 N 0.87 0.50 -0.49 1.55 5.85 -1.08 0.27 115.31 122.79 2dg8 h LEU 104 Ca 0.16 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2dg8 h LEU 104 Cb 0.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2dg8 h LEU 104 CO 0.03 0.43 0.16 0.58 -0.34 0.00 0.00 178.44 179.30 2dg8 h VAL 105 N 0.54 1.22 -0.50 1.05 2.07 -0.86 -1.17 116.25 118.60 2dg8 h VAL 105 Ca 0.15 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2dg8 h VAL 105 Cb 0.02 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2dg8 h VAL 105 CO -0.03 0.27 -0.01 -0.07 0.02 0.00 0.00 177.57 177.75 2dg8 h LEU 106 N 0.65 0.82 -0.09 2.57 3.38 -0.98 0.17 115.31 121.83 2dg8 h LEU 106 Ca 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2dg8 h LEU 106 Cb 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dg8 h LEU 106 CO -0.01 0.89 0.05 0.74 0.09 0.00 0.00 178.44 180.20 2dg8 h THR 107 N 0.78 1.07 -0.25 0.22 2.02 -0.71 -1.09 112.91 114.96 2dg8 h THR 107 Ca 0.15 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 2dg8 h THR 107 Cb 0.49 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2dg8 h THR 107 CO 0.02 0.07 -0.23 1.56 0.37 0.00 0.00 175.52 177.31 2dg8 h GLN 108 N 0.06 0.46 -0.21 6.66 1.08 -0.80 -1.94 115.11 120.42 2dg8 h GLN 108 Ca 0.03 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2dg8 h GLN 108 Cb 0.06 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2dg8 h GLN 108 CO -0.01 0.66 0.10 0.93 -0.95 0.00 0.00 178.83 179.57 2dg8 h GLU 109 N 0.41 0.30 -0.43 1.46 4.39 -0.41 -1.97 114.58 118.34 2dg8 h GLU 109 Ca 0.06 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2dg8 h GLU 109 Cb 0.63 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 2dg8 h GLU 109 CO 0.04 0.32 0.21 1.25 -1.16 0.00 0.00 179.01 179.68 2dg8 h LEU 110 N 0.21 0.30 -1.21 1.33 5.85 -0.93 -1.18 115.31 119.68 2dg8 h LEU 110 Ca 0.07 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2dg8 h LEU 110 Cb 0.12 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2dg8 h LEU 110 CO -0.01 0.22 0.54 1.88 -0.34 0.00 0.00 178.44 180.73 2dg8 h TYR 111 N 0.42 1.00 -0.39 1.25 0.99 -1.15 0.70 116.97 119.79 2dg8 h TYR 111 Ca 0.19 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.81 2dg8 h TYR 111 Cb 0.10 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 37.49 2dg8 h TYR 111 CO -0.11 0.60 -0.26 1.15 -0.00 0.00 0.00 178.16 179.54 2dg8 h THR 112 N 1.06 1.28 -0.21 -2.88 2.02 -0.79 -0.74 112.91 112.65 2dg8 h THR 112 Ca 0.32 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 2dg8 h THR 112 Cb -0.03 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2dg8 h THR 112 CO -0.08 0.48 0.11 0.25 0.37 0.00 0.00 175.52 176.65 2dg8 h LEU 113 N 0.69 0.26 -1.28 2.58 5.85 -0.55 -1.39 115.31 121.47 2dg8 h LEU 113 Ca 0.08 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2dg8 h LEU 113 Cb 0.84 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2dg8 h LEU 113 CO 0.07 0.27 -0.09 0.00 -0.34 0.00 0.00 178.44 178.35 2dg8 h ALA 114 N 1.00 1.41 -0.37 1.25 0.00 -0.80 0.15 119.26 121.90 2dg8 h ALA 114 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2dg8 h ALA 114 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2dg8 h ALA 114 CO -0.01 0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 2dg8 h ALA 115 N 1.56 0.51 -0.01 0.00 0.00 -0.70 -3.32 119.26 117.29 2dg8 h ALA 115 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2dg8 h ALA 115 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dg8 h ALA 115 CO 0.02 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.48 2dg8 h ARG 116 N 0.48 0.07 -4.05 0.00 3.08 -0.88 -3.42 114.38 109.66 2dg8 h ARG 116 Ca 0.11 -0.06 -0.68 0.00 0.07 0.00 0.00 59.98 59.42 2dg8 h ARG 116 Cb 0.48 0.01 -0.37 0.00 0.08 0.00 0.00 29.97 30.17 2dg8 h ARG 116 CO 0.02 0.75 -0.53 -0.65 -1.07 0.00 0.00 179.97 178.49 2dg8 s GLN 117 N -3.45 2.09 0.37 0.04 -0.21 0.49 -4.99 119.66 114.01 2dg8 s GLN 117 Ca -0.17 -2.19 0.25 0.00 0.02 0.00 0.00 55.36 53.27 2dg8 s GLN 117 Cb 0.00 -3.53 1.31 0.00 1.00 0.00 0.00 33.01 31.80 2dg8 s GLN 117 CO 0.70 -1.09 1.45 -2.30 -2.12 0.00 0.00 175.29 171.93 2dg8 n PRO 118 N 3.94 -0.04 -0.28 2.91 -0.02 -1.25 -0.21 135.00 140.04 2dg8 n PRO 118 Ca 0.03 1.22 0.20 0.00 -2.02 0.00 0.00 63.50 62.93 2dg8 n PRO 118 Cb 0.39 -2.29 0.50 0.00 -0.02 0.00 0.00 33.50 32.08 2dg8 n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dg8 h ALA 119 N 1.66 2.19 0.00 3.55 0.00 -1.94 0.33 119.26 125.06 2dg8 h ALA 119 Ca 0.80 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.75 2dg8 h ALA 119 Cb 2.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.13 2dg8 h ALA 119 CO -0.57 -0.53 0.00 0.66 0.00 0.00 0.00 179.25 178.81 2dg8 n TYR 120 N -4.56 0.00 0.60 0.00 4.02 0.71 -2.60 117.16 115.33 2dg8 n TYR 120 Ca 0.22 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.20 2dg8 n TYR 120 Cb 0.76 -0.32 0.41 0.00 -0.02 0.00 0.00 39.34 40.17 2dg8 n TYR 120 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2dg8 n ARG 121 N -1.32 0.04 0.04 -0.72 1.74 0.12 -1.29 116.66 115.27 2dg8 n ARG 121 Ca 0.10 0.22 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 2dg8 n ARG 121 Cb 0.20 -1.57 0.20 0.00 -1.02 0.00 0.00 32.46 30.27 2dg8 n ARG 121 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dg8 h GLU 122 N 0.00 0.40 0.11 5.56 5.08 -1.64 0.18 114.58 124.27 2dg8 h GLU 122 Ca 0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2dg8 h GLU 122 Cb 0.35 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2dg8 h GLU 122 CO 0.00 0.68 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.57 2dg8 h LEU 123 N 0.35 -0.13 -1.11 1.33 -0.00 -1.41 -2.01 115.31 112.33 2dg8 h LEU 123 Ca 0.04 -0.38 -0.06 0.00 -0.00 0.00 0.00 57.88 57.48 2dg8 h LEU 123 Cb 0.74 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2dg8 h LEU 123 CO 0.06 0.35 -0.01 0.71 -0.00 0.00 0.00 178.44 179.55 2dg8 h THR 124 N -0.65 1.22 -0.44 0.22 1.35 -1.44 -0.38 112.91 112.79 2dg8 h THR 124 Ca -0.02 -0.88 -0.04 0.00 -0.55 0.00 0.00 66.41 64.92 2dg8 h THR 124 Cb 0.50 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 2dg8 h THR 124 CO 0.03 0.30 0.12 -0.74 -0.25 0.00 0.00 175.52 174.98 2dg8 h HIS 125 N 0.58 0.73 -0.04 4.73 -0.00 -0.67 -0.03 115.15 120.46 2dg8 h HIS 125 Ca 0.12 -0.08 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 2dg8 h HIS 125 Cb 0.38 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2dg8 h HIS 125 CO 0.02 0.67 -0.46 1.49 -0.00 0.00 0.00 177.93 179.65 2dg8 h GLU 126 N 0.58 0.09 0.05 5.26 4.57 -1.07 -1.79 114.58 122.26 2dg8 h GLU 126 Ca 0.14 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2dg8 h GLU 126 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2dg8 h GLU 126 CO -0.00 0.53 -0.02 2.35 -1.18 0.00 0.00 179.01 180.69 2dg8 h TRP 127 N 0.07 -0.06 -0.57 0.92 7.01 -0.64 -2.33 115.95 120.35 2dg8 h TRP 127 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dg8 h TRP 127 Cb 0.84 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 2dg8 h TRP 127 CO 0.01 0.31 0.36 0.52 -2.79 0.00 0.00 178.44 176.85 2dg8 h MET 128 N -0.44 0.75 -0.40 2.65 2.86 -0.89 -1.74 114.93 117.73 2dg8 h MET 128 Ca -0.01 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2dg8 h MET 128 Cb 0.40 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2dg8 h MET 128 CO 0.01 0.51 -0.02 -0.09 1.06 0.00 0.00 176.91 178.38 2dg8 h ARG 129 N 0.77 0.73 -0.18 1.72 2.43 -1.25 -1.89 114.38 116.71 2dg8 h ARG 129 Ca 0.21 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2dg8 h ARG 129 Cb -0.06 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2dg8 h ARG 129 CO -0.04 0.82 -0.44 0.00 -1.51 0.00 0.00 179.97 178.81 2dg8 h ARG 130 N 0.55 0.43 -0.17 0.20 3.08 -1.07 -2.08 114.38 115.32 2dg8 h ARG 130 Ca 0.11 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2dg8 h ARG 130 Cb 0.51 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2dg8 h ARG 130 CO 0.02 0.79 0.10 0.77 -1.07 0.00 0.00 179.97 180.58 2dg8 h SER 131 N 0.35 0.21 -0.22 7.04 0.02 -1.20 -2.57 113.55 117.18 2dg8 h SER 131 Ca 0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2dg8 h SER 131 Cb 0.91 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2dg8 h SER 131 CO 0.08 0.21 0.11 0.03 -1.14 0.00 0.00 176.83 176.11 2dg8 h ARG 132 N 0.19 0.36 0.31 3.45 3.08 -1.13 -2.31 114.38 118.33 2dg8 h ARG 132 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2dg8 h ARG 132 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2dg8 h ARG 132 CO -0.01 0.30 -0.33 0.28 -1.07 0.00 0.00 179.97 179.14 2dg8 h VAL 133 N 0.37 0.31 0.00 2.04 2.07 -0.96 0.35 116.25 120.42 2dg8 h VAL 133 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2dg8 h VAL 133 Cb 0.07 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2dg8 h VAL 133 CO -0.01 0.00 -0.09 0.45 0.02 0.00 0.00 177.57 177.94 2dg8 h HIS 134 N -0.68 0.00 -0.14 1.57 3.86 -1.40 -1.64 115.15 116.71 2dg8 h HIS 134 Ca -0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 2dg8 h HIS 134 Cb 0.63 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 2dg8 h HIS 134 CO -0.21 0.09 -0.65 -0.07 0.86 0.00 0.00 177.93 177.95 2dg8 h LEU 135 N 0.00 0.63 0.00 2.43 4.07 -0.80 -2.92 115.31 118.73 2dg8 h LEU 135 Ca -0.00 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.58 2dg8 h LEU 135 Cb 0.16 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2dg8 h LEU 135 CO 0.01 1.12 0.00 -0.62 -1.08 0.00 0.00 178.44 177.87 2dg8 n GLU 136 N -3.91 0.50 0.00 1.13 1.02 0.11 -1.88 120.64 117.61 2dg8 n GLU 136 Ca -0.04 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.27 2dg8 n GLU 136 Cb 0.67 -1.50 0.64 0.00 -0.02 0.00 0.00 31.44 31.23 2dg8 n GLU 136 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dg8 n LYS 137 N -1.07 0.14 0.00 3.49 5.02 -1.10 -4.07 118.16 120.57 2dg8 n LYS 137 Ca 0.13 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2dg8 n LYS 137 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2dg8 n LYS 137 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2dg8 n HIS 138 N -1.43 0.00 -4.33 2.13 8.25 -0.81 -5.08 115.22 113.96 2dg8 n HIS 138 Ca 0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 2dg8 n HIS 138 Cb 0.29 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 2dg8 n HIS 138 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2dg8 s PHE 139 N -1.14 1.71 0.84 4.41 0.08 -0.79 -4.79 117.98 118.30 2dg8 s PHE 139 Ca 0.00 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 2dg8 s PHE 139 Cb 0.00 -0.83 0.10 0.00 -0.57 0.00 0.00 43.02 41.72 2dg8 s PHE 139 CO 0.00 0.33 1.12 0.16 -0.10 0.00 0.00 175.22 176.72 2dg8 s ASP 140 N -2.98 3.72 0.23 1.36 1.47 -1.26 -4.16 116.67 115.05 2dg8 s ASP 140 Ca 0.18 2.01 -0.08 0.00 1.18 0.00 0.00 52.55 55.84 2dg8 s ASP 140 Cb -0.03 -2.54 0.38 0.00 -0.34 0.00 0.00 42.92 40.39 2dg8 s ASP 140 CO 0.06 -2.56 1.66 -0.65 0.68 0.00 0.00 175.17 174.36 2dg8 h PRO 141 N -1.49 0.16 0.19 2.11 0.11 -1.96 -0.13 132.00 130.99 2dg8 h PRO 141 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2dg8 h PRO 141 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dg8 h PRO 141 CO 0.46 0.11 -0.09 0.78 -0.21 0.00 0.00 178.00 179.05 2dg8 h GLY 142 N 0.17 -0.27 1.36 -0.55 0.00 -2.00 -1.79 103.07 99.99 2dg8 h GLY 142 Ca 0.37 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 2dg8 h GLY 142 CO -0.55 -0.10 0.04 -0.91 0.00 0.00 0.00 176.54 175.02 2dg8 h THR 143 N -0.38 1.23 -0.78 4.70 1.35 -1.86 -1.39 112.91 115.78 2dg8 h THR 143 Ca -0.03 -0.93 0.05 0.00 -0.55 0.00 0.00 66.41 64.95 2dg8 h THR 143 Cb 0.30 0.82 -0.05 0.00 -1.73 0.00 0.00 68.15 67.49 2dg8 h THR 143 CO 0.04 0.33 0.51 0.00 -0.25 0.00 0.00 175.52 176.16 2dg8 h ALA 144 N 1.30 1.58 -0.11 6.62 0.00 -0.88 0.73 119.26 128.49 2dg8 h ALA 144 Ca 0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2dg8 h ALA 144 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dg8 h ALA 144 CO 0.01 0.32 -0.32 -0.09 0.00 0.00 0.00 179.25 179.18 2dg8 h ARG 145 N 0.91 0.40 -0.80 0.00 2.43 -0.57 -1.42 114.38 115.34 2dg8 h ARG 145 Ca 0.32 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2dg8 h ARG 145 Cb 0.13 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2dg8 h ARG 145 CO -0.10 0.91 0.37 1.96 -1.51 0.00 0.00 179.97 181.60 2dg8 h GLN 146 N -0.03 1.15 -0.70 0.20 4.20 -0.65 -2.77 115.11 116.52 2dg8 h GLN 146 Ca -0.01 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 2dg8 h GLN 146 Cb 0.94 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 2dg8 h GLN 146 CO 0.07 0.90 0.16 1.25 -0.67 0.00 0.00 178.83 180.54 2dg8 h LEU 147 N 1.13 1.06 -1.06 1.46 5.85 0.48 -2.07 115.31 122.17 2dg8 h LEU 147 Ca 0.27 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2dg8 h LEU 147 Cb 0.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2dg8 h LEU 147 CO -0.03 1.02 0.39 -0.78 -0.34 0.00 0.00 178.44 178.70 2dg8 h ASP 148 N 1.06 0.94 0.14 1.25 -0.00 -1.02 0.10 116.42 118.90 2dg8 h ASP 148 Ca 0.22 -0.09 -0.12 0.00 -0.00 0.00 0.00 57.03 57.04 2dg8 h ASP 148 Cb 0.38 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.46 2dg8 h ASP 148 CO 0.00 0.77 -0.42 0.00 -0.00 0.00 0.00 179.24 179.60 2dg8 h ALA 149 N 1.38 1.00 -0.11 -0.78 0.00 -1.22 -1.76 119.26 117.77 2dg8 h ALA 149 Ca 0.26 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2dg8 h ALA 149 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2dg8 h ALA 149 CO -0.04 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 181.01 2dg8 h LEU 150 N 0.29 0.24 -0.75 0.00 5.85 -0.61 -1.77 115.31 118.56 2dg8 h LEU 150 Ca 0.02 -0.44 0.09 0.00 0.84 0.00 0.00 57.88 58.40 2dg8 h LEU 150 Cb 0.87 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 2dg8 h LEU 150 CO 0.07 0.63 0.40 0.40 -0.34 0.00 0.00 178.44 179.60 2dg8 h ILE 151 N -0.14 0.88 0.03 4.05 2.04 -0.76 0.23 117.51 123.84 2dg8 h ILE 151 Ca 0.02 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2dg8 h ILE 151 Cb 0.55 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2dg8 h ILE 151 CO 0.02 0.12 -0.07 -0.08 0.00 0.00 0.00 178.15 178.14 2dg8 h GLU 152 N 0.67 -0.13 -0.49 2.37 4.57 -1.20 -1.46 114.58 118.92 2dg8 h GLU 152 Ca 0.36 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.45 2dg8 h GLU 152 Cb 0.36 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2dg8 h GLU 152 CO -0.26 -0.09 -0.08 0.78 -1.18 0.00 0.00 179.01 178.18 2dg8 h GLY 153 N -0.14 0.99 1.02 1.92 0.00 -0.45 -2.25 103.07 104.17 2dg8 h GLY 153 Ca 0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.48 2dg8 h GLY 153 CO -0.05 0.73 0.09 1.41 0.00 0.00 0.00 176.54 178.72 2dg8 h LEU 154 N 0.77 0.91 -0.07 3.11 3.38 -0.53 -1.04 115.31 121.83 2dg8 h LEU 154 Ca 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2dg8 h LEU 154 Cb 0.63 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2dg8 h LEU 154 CO 0.04 0.94 0.04 0.74 0.09 0.00 0.00 178.44 180.29 2dg8 h THR 155 N 0.84 1.06 -0.41 0.22 2.02 -1.24 -1.40 112.91 114.00 2dg8 h THR 155 Ca 0.17 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2dg8 h THR 155 Cb 0.42 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2dg8 h THR 155 CO 0.01 0.05 0.23 0.25 0.37 0.00 0.00 175.52 176.44 2dg8 h LEU 156 N 0.05 0.50 -1.15 2.58 7.12 -1.30 -0.11 115.31 123.01 2dg8 h LEU 156 Ca 0.03 -0.08 -0.08 0.00 0.13 0.00 0.00 57.88 57.87 2dg8 h LEU 156 Cb 0.05 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2dg8 h LEU 156 CO -0.00 0.44 -0.39 0.45 -0.13 0.00 0.00 178.44 178.80 2dg8 h HIS 157 N 0.53 0.00 0.06 1.25 3.86 -1.07 -2.11 115.15 117.67 2dg8 h HIS 157 Ca 0.14 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 2dg8 h HIS 157 Cb 0.04 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.52 2dg8 h HIS 157 CO -0.03 0.39 -0.60 0.00 0.86 0.00 0.00 177.93 178.56 2dg8 h ARG 158 N 0.00 0.31 -0.58 2.45 3.08 -0.98 -3.13 114.38 115.53 2dg8 h ARG 158 Ca -0.00 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.67 2dg8 h ARG 158 Cb 0.77 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 2dg8 h ARG 158 CO 0.05 1.13 0.36 0.00 -1.07 0.00 0.00 179.97 180.44 2dg8 h ALA 159 N 0.20 0.75 -0.66 0.04 0.00 -0.95 -2.68 119.26 115.97 2dg8 h ALA 159 Ca -0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2dg8 h ALA 159 Cb 1.38 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2dg8 h ALA 159 CO 0.11 0.10 0.23 1.28 0.00 0.00 0.00 179.25 180.97 2dg8 n LEU 160 N -4.74 5.67 -4.89 0.00 4.77 -0.80 -4.95 117.00 112.06 2dg8 n LEU 160 Ca 0.05 -2.94 -0.29 0.00 -0.03 0.00 0.00 56.01 52.79 2dg8 n LEU 160 Cb 0.07 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 2dg8 n LEU 160 CO 0.33 0.74 0.24 0.00 -1.33 0.00 0.00 177.39 177.37 2dg8 s ALA 161 N -2.72 3.58 0.00 -1.18 0.00 -1.01 -4.96 121.76 115.47 2dg8 s ALA 161 Ca 0.50 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.06 2dg8 s ALA 161 Cb 0.39 -2.38 -0.24 0.00 0.00 0.00 0.00 23.12 20.90 2dg8 s ALA 161 CO 0.12 0.26 0.83 -0.09 0.00 0.00 0.00 175.76 176.89 2dg8 h ARG 162 N 1.80 0.08 -2.64 0.00 9.65 -1.90 -3.41 114.38 117.97 2dg8 h ARG 162 Ca -0.47 -0.14 -0.59 0.00 -1.10 0.00 0.00 59.98 57.68 2dg8 h ARG 162 Cb 1.19 0.05 -0.39 0.00 -1.39 0.00 0.00 29.97 29.43 2dg8 h ARG 162 CO 0.66 0.82 -0.84 -1.21 2.80 0.00 0.00 179.97 182.21 2dg8 s GLU 163 N -2.63 0.71 0.40 0.20 2.02 -1.26 -5.13 118.70 113.01 2dg8 s GLU 163 Ca -0.06 -1.51 -0.27 0.00 0.02 0.00 0.00 54.97 53.15 2dg8 s GLU 163 Cb 0.08 -1.50 -0.10 0.00 0.10 0.00 0.00 34.13 32.71 2dg8 s GLU 163 CO 0.83 -1.21 1.44 -1.25 0.02 0.00 0.00 175.26 175.08 2dg8 s PRO 164 N 0.86 3.97 0.92 0.39 0.04 -1.26 -5.00 135.00 134.93 2dg8 s PRO 164 Ca 0.19 2.46 -0.12 0.00 0.04 0.00 0.00 61.00 63.57 2dg8 s PRO 164 Cb -0.21 -2.85 0.15 0.00 0.04 0.00 0.00 34.50 31.62 2dg8 s PRO 164 CO -0.01 -0.60 1.09 -3.38 0.04 0.00 0.00 177.00 174.14 2dg8 s HIS 165 N -1.16 2.16 0.67 0.56 -3.43 -1.26 -5.04 115.29 107.79 2dg8 s HIS 165 Ca 0.56 1.30 0.01 0.00 -0.80 0.00 0.00 55.06 56.12 2dg8 s HIS 165 Cb -0.44 -3.17 0.11 0.00 -1.43 0.00 0.00 32.58 27.64 2dg8 s HIS 165 CO 0.59 -2.58 0.93 0.20 -2.00 0.00 0.00 174.74 171.88 2dg8 s GLY 166 N -3.26 1.77 0.31 -1.38 0.00 -1.26 -4.97 107.32 98.52 2dg8 s GLY 166 Ca 0.64 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.64 2dg8 s GLY 166 CO 0.58 -1.22 1.89 -0.09 0.00 0.00 0.00 173.10 174.26 2dg8 h ARG 167 N -0.33 0.77 -0.58 2.90 2.43 -1.98 -2.48 114.38 115.11 2dg8 h ARG 167 Ca -0.36 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 58.72 2dg8 h ARG 167 Cb 1.27 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2dg8 h ARG 167 CO 0.42 0.65 0.35 0.00 -1.51 0.00 0.00 179.97 179.88 2dg8 h ALA 168 N 1.45 0.75 -0.67 2.80 0.00 -1.98 0.61 119.26 122.23 2dg8 h ALA 168 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2dg8 h ALA 168 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2dg8 h ALA 168 CO -0.01 0.07 0.10 1.25 0.00 0.00 0.00 179.25 180.66 2dg8 h LEU 169 N 0.69 1.06 -0.26 0.00 7.12 -1.91 -0.80 115.31 121.21 2dg8 h LEU 169 Ca 0.24 -0.26 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 2dg8 h LEU 169 Cb 0.04 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 2dg8 h LEU 169 CO -0.11 1.06 0.05 0.74 -0.13 0.00 0.00 178.44 180.05 2dg8 h THR 170 N 1.03 1.23 -0.59 1.05 2.02 -0.85 -2.53 112.91 114.27 2dg8 h THR 170 Ca 0.20 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 2dg8 h THR 170 Cb 0.45 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2dg8 h THR 170 CO 0.01 0.24 0.19 0.25 0.37 0.00 0.00 175.52 176.59 2dg8 h LEU 171 N 0.25 0.82 -0.33 2.58 5.85 0.39 -2.18 115.31 122.68 2dg8 h LEU 171 Ca 0.08 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2dg8 h LEU 171 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2dg8 h LEU 171 CO 0.00 0.77 0.02 -0.08 -0.34 0.00 0.00 178.44 178.81 2dg8 h GLU 172 N 0.86 0.58 -0.67 1.25 4.81 -1.03 0.25 114.58 120.62 2dg8 h GLU 172 Ca 0.20 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dg8 h GLU 172 Cb 0.24 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2dg8 h GLU 172 CO -0.01 0.68 0.41 0.00 -0.73 0.00 0.00 179.01 179.36 2dg8 h ALA 173 N 0.87 0.86 -0.23 2.92 0.00 -1.27 0.72 119.26 123.13 2dg8 h ALA 173 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dg8 h ALA 173 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2dg8 h ALA 173 CO 0.01 0.33 0.12 0.82 0.00 0.00 0.00 179.25 180.54 2dg8 h ILE 174 N 0.92 1.12 -0.67 0.00 2.04 -1.22 -0.01 117.51 119.68 2dg8 h ILE 174 Ca 0.24 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2dg8 h ILE 174 Cb -0.03 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2dg8 h ILE 174 CO -0.05 0.12 0.41 0.00 0.00 0.00 0.00 178.15 178.63 2dg8 h ALA 175 N 1.00 0.88 -0.07 1.87 0.00 -0.39 -1.42 119.26 121.12 2dg8 h ALA 175 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2dg8 h ALA 175 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2dg8 h ALA 175 CO -0.01 0.17 0.02 0.00 0.00 0.00 0.00 179.25 179.43 2dg8 h ARG 176 N 0.81 0.11 -0.13 0.00 3.08 -0.52 -2.94 114.38 114.79 2dg8 h ARG 176 Ca 0.27 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2dg8 h ARG 176 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2dg8 h ARG 176 CO -0.11 0.28 -0.07 0.97 -1.07 0.00 0.00 179.97 179.96 2dg8 h ILE 177 N -0.07 1.13 -0.51 2.04 6.09 -0.79 -2.23 117.51 123.17 2dg8 h ILE 177 Ca 0.02 -0.57 -0.12 0.00 -1.37 0.00 0.00 64.86 62.82 2dg8 h ILE 177 Cb 0.21 1.12 -0.07 0.00 0.47 0.00 0.00 36.82 38.55 2dg8 h ILE 177 CO -0.00 0.18 0.16 0.35 -3.07 0.00 0.00 178.15 175.77 2dg8 n THR 178 N -4.35 2.17 -3.54 2.19 -2.24 -0.55 -4.88 114.28 103.08 2dg8 n THR 178 Ca -0.01 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.29 2dg8 n THR 178 Cb 0.21 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 2dg8 n THR 178 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dg8 s THR 179 N -2.28 5.27 -0.38 4.28 2.01 -0.84 -5.00 115.64 118.70 2dg8 s THR 179 Ca 0.39 0.59 0.13 0.00 0.31 0.00 0.00 61.69 63.11 2dg8 s THR 179 Cb 0.31 -3.64 0.40 0.00 0.01 0.00 0.00 72.50 69.58 2dg8 s THR 179 CO 0.10 0.43 0.88 0.35 -0.69 0.00 0.00 174.62 175.70 2dg8 n THR 180 N 3.18 0.96 -0.95 -0.82 -2.24 -1.26 -5.07 114.28 108.07 2dg8 n THR 180 Ca -0.13 -4.16 0.00 0.00 -2.27 0.00 0.00 64.05 57.49 2dg8 n THR 180 Cb 0.52 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2dg8 n THR 180 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83