#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qz8 s ASP 6 N 0.00 1.12 0.24 1.96 1.47 -1.26 -4.74 116.67 115.46 2qz8 s ASP 6 Ca 0.00 0.46 -0.05 0.00 1.18 0.00 0.00 52.55 54.14 2qz8 s ASP 6 Cb 0.00 -0.59 0.25 0.00 -0.34 0.00 0.00 42.92 42.24 2qz8 s ASP 6 CO 0.00 -3.98 1.82 0.44 0.68 0.00 0.00 175.17 174.12 2qz8 h ASP 7 N -2.49 1.02 -0.16 2.11 3.32 -2.04 -1.41 116.42 116.76 2qz8 h ASP 7 Ca -0.43 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.40 2qz8 h ASP 7 Cb 1.27 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 2qz8 h ASP 7 CO 0.31 0.89 -0.19 0.40 -1.72 0.00 0.00 179.24 178.93 2qz8 h ILE 8 N 1.09 1.35 -0.70 0.35 2.04 -1.93 -2.08 117.51 117.62 2qz8 h ILE 8 Ca 0.25 -1.39 0.08 0.00 1.00 0.00 0.00 64.86 64.80 2qz8 h ILE 8 Cb 0.19 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 2qz8 h ILE 8 CO -0.02 0.41 0.46 0.44 0.00 0.00 0.00 178.15 179.44 2qz8 h ASP 9 N 0.04 0.58 -0.78 1.72 3.32 -1.88 -1.64 116.42 117.78 2qz8 h ASP 9 Ca 0.02 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 2qz8 h ASP 9 Cb 0.75 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2qz8 h ASP 9 CO 0.05 0.37 0.30 0.03 -1.72 0.00 0.00 179.24 178.26 2qz8 h ARG 10 N 0.66 1.18 -0.40 3.56 3.08 -0.89 0.04 114.38 121.61 2qz8 h ARG 10 Ca 0.31 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2qz8 h ARG 10 Cb 0.36 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2qz8 h ARG 10 CO -0.10 0.97 0.12 0.82 -1.07 0.00 0.00 179.97 180.70 2qz8 h ILE 11 N 1.14 1.22 -0.09 2.04 2.04 -0.64 -0.10 117.51 123.12 2qz8 h ILE 11 Ca 0.26 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 2qz8 h ILE 11 Cb 0.24 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2qz8 h ILE 11 CO -0.02 0.25 0.05 -0.07 0.00 0.00 0.00 178.15 178.37 2qz8 h LEU 12 N 0.50 0.10 -0.35 1.44 3.38 -1.15 0.64 115.31 119.88 2qz8 h LEU 12 Ca 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2qz8 h LEU 12 Cb 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2qz8 h LEU 12 CO -0.00 0.11 0.14 0.58 0.09 0.00 0.00 178.44 179.36 2qz8 h VAL 13 N 0.08 1.18 0.00 1.22 2.07 -0.91 0.17 116.25 120.07 2qz8 h VAL 13 Ca 0.03 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2qz8 h VAL 13 Cb 0.03 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2qz8 h VAL 13 CO -0.01 0.20 -0.17 -0.09 0.02 0.00 0.00 177.57 177.52 2qz8 h ARG 14 N 0.41 0.00 -0.01 1.57 2.43 -0.90 0.71 114.38 118.60 2qz8 h ARG 14 Ca 0.12 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 2qz8 h ARG 14 Cb 0.18 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2qz8 h ARG 14 CO -0.01 0.17 -0.53 0.93 -1.51 0.00 0.00 179.97 179.01 2qz8 h GLU 15 N 0.00 0.39 -0.26 0.20 4.39 -0.20 -2.99 114.58 116.11 2qz8 h GLU 15 Ca -0.00 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.19 2qz8 h GLU 15 Cb 0.32 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2qz8 h GLU 15 CO 0.02 1.07 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.58 2qz8 h LEU 16 N -0.14 0.54 -0.84 1.33 3.38 -0.32 -2.15 115.31 117.11 2qz8 h LEU 16 Ca -0.06 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2qz8 h LEU 16 Cb 1.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2qz8 h LEU 16 CO 0.11 0.81 -0.08 0.00 0.09 0.00 0.00 178.44 179.37 2qz8 h ALA 17 N 1.23 1.03 -0.23 1.53 0.00 -0.97 -2.58 119.26 119.28 2qz8 h ALA 17 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2qz8 h ALA 17 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qz8 h ALA 17 CO 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 2qz8 h ALA 18 N 1.20 0.31 -2.18 0.00 0.00 -1.31 -3.44 119.26 113.83 2qz8 h ALA 18 Ca 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2qz8 h ALA 18 Cb 0.55 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.01 2qz8 h ALA 18 CO 0.03 0.08 -0.30 0.34 0.00 0.00 0.00 179.25 179.40 2qz8 s ASP 19 N -5.99 -0.56 0.00 0.00 3.68 -0.84 -5.02 116.67 107.93 2qz8 s ASP 19 Ca -0.14 1.09 0.15 0.00 2.13 0.00 0.00 52.55 55.78 2qz8 s ASP 19 Cb 0.07 1.68 0.83 0.00 -1.45 0.00 0.00 42.92 44.05 2qz8 s ASP 19 CO 0.75 -0.24 1.38 0.61 0.13 0.00 0.00 175.17 177.80 2qz8 n GLY 20 N 5.41 -0.65 0.15 2.66 0.00 -0.98 -2.71 105.19 109.06 2qz8 n GLY 20 Ca -0.09 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2qz8 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qz8 n ARG 21 N -1.16 0.48 -1.67 1.61 1.74 -1.26 -4.92 116.66 111.48 2qz8 n ARG 21 Ca 0.09 -0.31 -0.50 0.00 -0.77 0.00 0.00 57.85 56.36 2qz8 n ARG 21 Cb 0.09 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 2qz8 n ARG 21 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2qz8 n VAL 22 N -0.99 0.27 -1.32 1.55 3.14 -1.10 -4.93 118.33 114.94 2qz8 n VAL 22 Ca 0.09 -0.05 -0.31 0.00 -2.96 0.00 0.00 64.34 61.11 2qz8 n VAL 22 Cb 0.35 -1.45 0.08 0.00 -1.06 0.00 0.00 33.84 31.76 2qz8 n VAL 22 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2qz8 s THR 23 N 2.50 3.46 0.40 1.55 -4.23 -1.26 -4.80 115.64 113.27 2qz8 s THR 23 Ca 0.89 0.48 0.07 0.00 -1.18 0.00 0.00 61.69 61.95 2qz8 s THR 23 Cb -0.82 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 70.29 2qz8 s THR 23 CO 0.50 -0.62 2.03 -0.07 -0.54 0.00 0.00 174.62 175.92 2qz8 h LEU 24 N -1.04 0.51 -0.52 4.79 3.38 -1.98 0.24 115.31 120.70 2qz8 h LEU 24 Ca -0.44 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2qz8 h LEU 24 Cb 1.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2qz8 h LEU 24 CO 0.52 0.35 -0.29 -1.28 0.09 0.00 0.00 178.44 177.84 2qz8 h SER 25 N 0.59 0.93 -0.33 -0.43 0.87 -1.93 0.12 113.55 113.37 2qz8 h SER 25 Ca 0.20 -0.38 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 2qz8 h SER 25 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2qz8 h SER 25 CO -0.05 1.15 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.80 2qz8 h GLU 26 N 0.76 0.84 -0.05 2.24 5.08 -1.70 -2.66 114.58 119.08 2qz8 h GLU 26 Ca 0.08 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2qz8 h GLU 26 Cb 0.86 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2qz8 h GLU 26 CO 0.08 1.01 0.02 -0.07 -1.00 0.00 0.00 179.01 179.04 2qz8 h LEU 27 N 0.71 0.06 -0.16 1.33 3.38 -0.24 -0.82 115.31 119.57 2qz8 h LEU 27 Ca 0.09 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2qz8 h LEU 27 Cb 0.81 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2qz8 h LEU 27 CO 0.07 0.19 -0.20 0.00 0.09 0.00 0.00 178.44 178.59 2qz8 h ALA 28 N 0.88 -0.13 -0.21 1.53 0.00 -1.02 0.27 119.26 120.58 2qz8 h ALA 28 Ca 0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2qz8 h ALA 28 Cb 0.14 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2qz8 h ALA 28 CO -0.00 -0.65 -0.19 1.15 0.00 0.00 0.00 179.25 179.56 2qz8 h THR 29 N -0.24 0.49 -0.11 0.00 2.02 -1.35 0.14 112.91 113.85 2qz8 h THR 29 Ca 0.11 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 2qz8 h THR 29 Cb 0.41 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2qz8 h THR 29 CO -0.30 0.00 -0.25 0.03 0.37 0.00 0.00 175.52 175.37 2qz8 h ARG 30 N -0.20 0.20 -0.00 6.66 -0.00 -0.63 -3.02 114.38 117.38 2qz8 h ARG 30 Ca 0.13 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 2qz8 h ARG 30 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.34 2qz8 h ARG 30 CO -0.33 0.45 -0.62 0.00 0.00 0.00 0.00 179.97 179.47 2qz8 n ALA 31 N -2.48 3.87 -1.00 0.04 0.00 0.91 -4.96 120.51 116.88 2qz8 n ALA 31 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2qz8 n ALA 31 Cb 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2qz8 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qz8 n GLY 32 N 1.46 0.64 3.53 0.00 0.00 0.29 -4.98 105.19 106.12 2qz8 n GLY 32 Ca 0.07 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2qz8 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qz8 s LEU 33 N 0.00 2.73 0.79 0.99 1.43 0.01 -5.02 118.68 119.61 2qz8 s LEU 33 Ca 0.00 -1.05 -0.11 0.00 -1.03 0.00 0.00 54.13 51.94 2qz8 s LEU 33 Cb 0.00 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 45.14 2qz8 s LEU 33 CO 0.00 -0.07 1.09 -0.94 0.23 0.00 0.00 176.35 176.65 2qz8 s SER 34 N -3.58 4.42 0.27 2.29 1.04 -1.26 -4.29 113.70 112.59 2qz8 s SER 34 Ca 0.31 1.71 0.06 0.00 0.48 0.00 0.00 55.95 58.51 2qz8 s SER 34 Cb -0.02 -2.43 0.36 0.00 0.10 0.00 0.00 66.02 64.03 2qz8 s SER 34 CO 0.16 -2.07 1.63 1.62 0.98 0.00 0.00 173.24 175.56 2qz8 h VAL 35 N -1.15 1.36 -0.04 5.02 3.04 -1.94 -1.63 116.25 120.91 2qz8 h VAL 35 Ca -0.45 -1.79 -0.12 0.00 -1.01 0.00 0.00 66.70 63.33 2qz8 h VAL 35 Cb 1.24 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 2qz8 h VAL 35 CO 0.53 0.53 -0.51 0.77 -1.01 0.00 0.00 177.57 177.88 2qz8 h SER 36 N 0.16 0.10 0.11 3.17 4.64 -1.96 -1.22 113.55 118.55 2qz8 h SER 36 Ca 0.00 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.05 2qz8 h SER 36 Cb 0.98 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2qz8 h SER 36 CO 0.08 0.60 -0.86 0.00 -0.87 0.00 0.00 176.83 175.78 2qz8 h ALA 37 N 1.41 0.37 -0.42 5.18 0.00 -1.87 -2.82 119.26 121.10 2qz8 h ALA 37 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2qz8 h ALA 37 Cb 0.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2qz8 h ALA 37 CO 0.07 0.74 0.25 0.28 0.00 0.00 0.00 179.25 180.59 2qz8 h VAL 38 N 0.37 1.14 -0.69 0.00 2.07 -1.21 -2.09 116.25 115.83 2qz8 h VAL 38 Ca -0.07 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 67.28 2qz8 h VAL 38 Cb 1.48 0.59 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 2qz8 h VAL 38 CO 0.16 0.14 0.12 1.56 0.02 0.00 0.00 177.57 179.57 2qz8 h GLN 39 N 0.55 0.22 -0.01 1.57 4.20 -1.18 0.18 115.11 120.64 2qz8 h GLN 39 Ca 0.15 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 2qz8 h GLN 39 Cb 0.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2qz8 h GLN 39 CO -0.03 0.15 -0.87 0.66 -0.67 0.00 0.00 178.83 178.07 2qz8 h SER 40 N 0.23 0.40 0.32 1.46 4.64 -1.28 -1.42 113.55 117.89 2qz8 h SER 40 Ca 0.38 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2qz8 h SER 40 Cb 0.62 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2qz8 h SER 40 CO -0.50 1.09 -0.18 0.03 -0.87 0.00 0.00 176.83 176.39 2qz8 h ARG 41 N 0.18 -0.46 -0.53 4.77 3.08 -0.65 -2.19 114.38 118.58 2qz8 h ARG 41 Ca -0.05 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.07 2qz8 h ARG 41 Cb 1.48 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.59 2qz8 h ARG 41 CO 0.14 -0.30 0.28 0.28 -1.07 0.00 0.00 179.97 179.29 2qz8 h VAL 42 N -0.47 0.97 -0.83 2.04 2.07 -0.55 0.13 116.25 119.60 2qz8 h VAL 42 Ca -0.03 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2qz8 h VAL 42 Cb 0.39 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2qz8 h VAL 42 CO 0.04 0.10 0.51 -0.09 0.02 0.00 0.00 177.57 178.15 2qz8 h ARG 43 N 0.54 0.90 -0.49 1.57 2.43 -1.25 -0.47 114.38 117.61 2qz8 h ARG 43 Ca 0.23 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2qz8 h ARG 43 Cb 0.13 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2qz8 h ARG 43 CO -0.15 0.60 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.63 2qz8 h ARG 44 N 0.93 0.99 -0.57 0.20 2.43 -0.58 -1.52 114.38 116.27 2qz8 h ARG 44 Ca 0.37 -0.41 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2qz8 h ARG 44 Cb 0.18 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2qz8 h ARG 44 CO -0.18 1.09 0.38 -0.07 -1.51 0.00 0.00 179.97 179.68 2qz8 h LEU 45 N 0.85 0.65 -0.06 3.80 3.38 -0.23 -1.80 115.31 121.90 2qz8 h LEU 45 Ca 0.12 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2qz8 h LEU 45 Cb 0.76 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2qz8 h LEU 45 CO 0.06 0.47 -0.15 -0.33 0.09 0.00 0.00 178.44 178.58 2qz8 h GLU 46 N 0.77 0.21 0.00 1.13 5.08 -0.79 -1.31 114.58 119.68 2qz8 h GLU 46 Ca 0.21 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qz8 h GLU 46 Cb -0.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qz8 h GLU 46 CO -0.05 0.75 0.00 -1.13 -1.00 0.00 0.00 179.01 177.58 2qz8 n SER 47 N -4.60 0.52 -1.17 1.42 3.41 -0.60 -1.40 113.62 111.21 2qz8 n SER 47 Ca -0.08 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 2qz8 n SER 47 Cb 0.39 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.89 2qz8 n SER 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qz8 n ARG 48 N -2.04 2.54 -1.20 4.33 1.74 -0.69 -4.93 116.66 116.41 2qz8 n ARG 48 Ca 0.04 -2.23 -0.07 0.00 -0.77 0.00 0.00 57.85 54.82 2qz8 n ARG 48 Cb 0.29 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2qz8 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qz8 n GLY 49 N 1.41 0.70 0.11 -0.13 0.00 -0.49 -4.83 105.19 101.95 2qz8 n GLY 49 Ca 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2qz8 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qz8 h VAL 50 N 0.00 1.09 -3.58 1.61 2.07 -1.47 -3.39 116.25 112.58 2qz8 h VAL 50 Ca -0.14 -1.01 -0.66 0.00 0.82 0.00 0.00 66.70 65.70 2qz8 h VAL 50 Cb 1.05 1.71 -0.16 0.00 -1.52 0.00 0.00 31.29 32.37 2qz8 h VAL 50 CO 0.21 0.24 0.02 -0.69 0.02 0.00 0.00 177.57 177.37 2qz8 s VAL 51 N -4.14 4.92 -0.14 2.57 1.01 -0.88 -4.95 120.40 118.79 2qz8 s VAL 51 Ca -0.15 0.05 0.18 0.00 0.00 0.00 0.00 61.98 62.07 2qz8 s VAL 51 Cb 0.01 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 2qz8 s VAL 51 CO 0.59 -0.49 0.88 1.56 0.00 0.00 0.00 175.10 177.65 2qz8 h GLN 52 N 8.76 0.00 0.00 2.72 4.20 -1.90 -3.41 115.11 125.49 2qz8 h GLN 52 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2qz8 h GLN 52 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2qz8 h GLN 52 CO 0.85 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 179.66 2qz8 n GLY 53 N 1.35 0.35 0.07 3.46 0.00 -1.26 -5.03 105.19 104.12 2qz8 n GLY 53 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 44.97 2qz8 n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qz8 n TYR 54 N -0.42 0.00 -1.68 1.61 4.01 -1.26 -5.05 117.16 114.38 2qz8 n TYR 54 Ca 0.00 -0.57 -0.45 0.00 -0.16 0.00 0.00 57.90 56.72 2qz8 n TYR 54 Cb 0.00 -0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 2qz8 n TYR 54 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2qz8 n SER 55 N -0.71 3.21 -4.76 7.72 7.64 -1.26 -4.96 113.62 120.49 2qz8 n SER 55 Ca 0.05 1.08 -0.41 0.00 1.01 0.00 0.00 58.87 60.61 2qz8 n SER 55 Cb 0.45 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.17 2qz8 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qz8 s ALA 56 N 0.93 3.44 -0.12 -0.43 0.00 -1.26 -4.97 121.76 119.35 2qz8 s ALA 56 Ca 0.78 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 53.46 2qz8 s ALA 56 Cb -0.66 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 2qz8 s ALA 56 CO 0.37 -0.31 0.91 0.50 0.00 0.00 0.00 175.76 177.23 2qz8 s ARG 57 N -1.24 4.38 -0.12 0.00 6.06 -1.26 -5.04 118.95 121.73 2qz8 s ARG 57 Ca 0.47 1.21 -0.01 0.00 -2.50 0.00 0.00 55.73 54.90 2qz8 s ARG 57 Cb -0.34 -3.54 -0.02 0.00 0.06 0.00 0.00 34.95 31.11 2qz8 s ARG 57 CO 0.43 -0.27 -0.09 0.42 -2.50 0.00 0.00 175.30 173.28 2qz8 s ILE 58 N 1.90 3.43 -0.19 4.11 -1.09 -1.26 -5.07 121.20 123.04 2qz8 s ILE 58 Ca 0.44 -0.54 -0.33 0.00 -2.23 0.00 0.00 60.65 58.00 2qz8 s ILE 58 Cb -0.18 -2.45 -0.10 0.00 -1.58 0.00 0.00 42.46 38.16 2qz8 s ILE 58 CO 0.16 0.53 2.07 -3.20 -1.23 0.00 0.00 174.94 173.27 2qz8 n ASN 59 N 3.24 3.07 -0.11 3.58 2.85 -1.26 -4.85 115.26 121.79 2qz8 n ASN 59 Ca -0.18 0.60 -0.00 0.00 -0.11 0.00 0.00 54.58 54.89 2qz8 n ASN 59 Cb 0.53 -1.40 0.26 0.00 1.24 0.00 0.00 39.78 40.41 2qz8 n ASN 59 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2qz8 h PRO 60 N 11.78 0.76 -0.63 1.20 0.11 -1.97 -2.23 132.00 141.01 2qz8 h PRO 60 Ca -0.41 -0.11 0.02 0.00 0.11 0.00 0.00 66.00 65.61 2qz8 h PRO 60 Cb 1.28 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2qz8 h PRO 60 CO 0.97 0.62 0.40 0.93 -0.21 0.00 0.00 178.00 180.72 2qz8 h GLU 61 N 0.76 0.79 0.00 1.05 5.08 -1.89 -2.18 114.58 118.18 2qz8 h GLU 61 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2qz8 h GLU 61 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qz8 h GLU 61 CO -0.02 0.52 0.01 0.00 -1.00 0.00 0.00 179.01 178.53 2qz8 h ALA 62 N 1.25 1.01 -0.19 3.43 0.00 -1.73 -2.20 119.26 120.83 2qz8 h ALA 62 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2qz8 h ALA 62 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2qz8 h ALA 62 CO -0.08 -0.01 -0.08 1.33 0.00 0.00 0.00 179.25 180.41 2qz8 n VAL 63 N -2.61 2.25 0.00 0.00 0.24 -0.87 -4.97 118.33 112.37 2qz8 n VAL 63 Ca -0.02 -2.39 0.00 0.00 -2.04 0.00 0.00 64.34 59.89 2qz8 n VAL 63 Cb 0.06 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 2qz8 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qz8 n GLY 64 N -1.00 1.97 3.22 7.63 0.00 -0.83 -5.00 105.19 111.19 2qz8 n GLY 64 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2qz8 n GLY 64 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qz8 n HIS 65 N -1.47 4.18 0.88 1.61 8.25 -0.91 -4.05 115.22 123.71 2qz8 n HIS 65 Ca 0.00 -2.94 0.13 0.00 -0.26 0.00 0.00 57.72 54.65 2qz8 n HIS 65 Cb 0.00 -2.50 0.46 0.00 1.12 0.00 0.00 29.99 29.06 2qz8 n HIS 65 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qz8 n LEU 66 N 6.92 0.34 -4.08 2.41 7.99 -0.93 -3.58 117.00 126.07 2qz8 n LEU 66 Ca 0.48 0.39 -0.32 0.00 -0.01 0.00 0.00 56.01 56.55 2qz8 n LEU 66 Cb 0.42 -0.38 -0.16 0.00 -0.11 0.00 0.00 43.42 43.19 2qz8 n LEU 66 CO 0.80 -0.02 -0.51 -0.22 -1.51 0.00 0.00 177.39 175.93 2qz8 s LEU 67 N -3.43 1.93 0.15 2.23 0.20 -0.52 -4.98 118.68 114.27 2qz8 s LEU 67 Ca 0.12 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.44 2qz8 s LEU 67 Cb 0.17 -1.34 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 2qz8 s LEU 67 CO 0.60 -0.01 -0.03 -0.44 -0.29 0.00 0.00 176.35 176.17 2qz8 s SER 68 N 1.31 4.66 0.00 3.68 0.01 -1.26 -0.59 113.70 121.51 2qz8 s SER 68 Ca 0.03 -0.39 -0.14 0.00 1.31 0.00 0.00 55.95 56.76 2qz8 s SER 68 Cb -0.13 -0.96 0.02 0.00 0.21 0.00 0.00 66.02 65.16 2qz8 s SER 68 CO -0.11 0.12 0.31 0.00 0.41 0.00 0.00 173.24 173.97 2qz8 s ALA 69 N -1.57 -0.75 -0.08 1.44 0.00 -0.64 -1.85 121.76 118.32 2qz8 s ALA 69 Ca 0.26 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 2qz8 s ALA 69 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2qz8 s ALA 69 CO 0.17 -0.30 0.55 -0.06 0.00 0.00 0.00 175.76 176.12 2qz8 s PHE 70 N -1.64 3.57 -0.22 0.00 0.08 -0.40 -1.03 117.98 118.34 2qz8 s PHE 70 Ca -0.11 1.04 0.01 0.00 0.12 0.00 0.00 56.93 57.99 2qz8 s PHE 70 Cb -0.04 -2.61 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 2qz8 s PHE 70 CO 0.02 0.20 -0.13 0.08 -0.10 0.00 0.00 175.22 175.30 2qz8 s VAL 71 N 0.43 2.33 -0.16 -0.44 1.01 0.55 -0.38 120.40 123.74 2qz8 s VAL 71 Ca 0.30 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2qz8 s VAL 71 Cb -0.16 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2qz8 s VAL 71 CO 0.14 0.26 0.42 0.00 0.00 0.00 0.00 175.10 175.92 2qz8 s ALA 72 N 1.24 3.53 0.12 5.51 0.00 0.71 -1.00 121.76 131.87 2qz8 s ALA 72 Ca -0.01 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.69 2qz8 s ALA 72 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2qz8 s ALA 72 CO -0.08 -0.13 -0.27 0.96 0.00 0.00 0.00 175.76 176.24 2qz8 s ILE 73 N 0.93 2.21 -0.11 0.00 -4.36 0.45 -0.60 121.20 119.72 2qz8 s ILE 73 Ca 0.22 -1.69 -0.03 0.00 -0.26 0.00 0.00 60.65 58.88 2qz8 s ILE 73 Cb -0.15 -1.95 0.04 0.00 1.25 0.00 0.00 42.46 41.66 2qz8 s ILE 73 CO 0.08 0.12 0.06 -0.89 0.24 0.00 0.00 174.94 174.55 2qz8 s THR 74 N -1.03 0.07 0.28 8.37 2.01 -0.78 -1.27 115.64 123.29 2qz8 s THR 74 Ca 0.13 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 2qz8 s THR 74 Cb -0.10 -0.49 -0.14 0.00 0.01 0.00 0.00 72.50 71.78 2qz8 s THR 74 CO 0.05 -0.03 1.16 -2.65 -0.69 0.00 0.00 174.62 172.47 2qz8 n PRO 75 N 5.23 1.63 0.10 4.92 -0.02 -1.26 -0.35 135.00 145.25 2qz8 n PRO 75 Ca -0.06 0.57 -0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2qz8 n PRO 75 Cb 0.49 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 32.01 2qz8 n PRO 75 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qz8 h LEU 76 N 2.67 0.19 -7.27 2.45 3.38 -1.68 -3.35 115.31 111.71 2qz8 h LEU 76 Ca -0.42 -0.12 -0.66 0.00 0.09 0.00 0.00 57.88 56.76 2qz8 h LEU 76 Cb 1.32 -0.06 -0.39 0.00 0.09 0.00 0.00 40.66 41.62 2qz8 h LEU 76 CO 0.65 0.81 -0.42 -0.62 0.09 0.00 0.00 178.44 178.95 2qz8 s ASP 77 N -6.89 5.12 0.65 -0.43 2.15 -1.26 -4.93 116.67 111.09 2qz8 s ASP 77 Ca -0.03 -3.54 0.44 0.00 0.43 0.00 0.00 52.55 49.85 2qz8 s ASP 77 Cb 0.12 -1.75 2.38 0.00 -0.30 0.00 0.00 42.92 43.37 2qz8 s ASP 77 CO 0.80 -0.18 2.34 -0.65 -0.17 0.00 0.00 175.17 177.31 2qz8 h PRO 78 N 5.98 0.00 0.00 4.34 0.11 -1.98 -2.55 132.00 137.90 2qz8 h PRO 78 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2qz8 h PRO 78 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2qz8 h PRO 78 CO 0.75 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 2qz8 n SER 79 N -3.04 0.20 -4.25 -2.05 3.41 -1.26 -4.64 113.62 102.00 2qz8 n SER 79 Ca -0.03 0.56 -0.25 0.00 -0.26 0.00 0.00 58.87 58.89 2qz8 n SER 79 Cb 0.07 -0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 63.28 2qz8 n SER 79 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qz8 s GLN 80 N -3.12 1.32 0.19 4.33 -0.21 -0.96 -5.09 119.66 116.13 2qz8 s GLN 80 Ca 0.05 -0.95 -0.33 0.00 0.02 0.00 0.00 55.36 54.15 2qz8 s GLN 80 Cb 0.08 -1.45 -0.13 0.00 1.00 0.00 0.00 33.01 32.51 2qz8 s GLN 80 CO 0.25 0.36 1.66 -2.30 -2.12 0.00 0.00 175.29 173.15 2qz8 n PRO 81 N 1.76 2.52 0.02 2.91 -0.02 -1.26 -4.87 135.00 136.06 2qz8 n PRO 81 Ca -0.18 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2qz8 n PRO 81 Cb 0.53 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.20 2qz8 n PRO 81 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2qz8 n ASP 82 N 3.67 0.73 -3.55 2.55 5.68 -1.26 -4.95 116.55 119.42 2qz8 n ASP 82 Ca 0.16 0.32 -0.25 0.00 -0.50 0.00 0.00 54.79 54.52 2qz8 n ASP 82 Cb 0.32 0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 40.65 2qz8 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2qz8 n ASP 83 N -2.83 -3.02 -0.04 -1.12 2.03 -1.26 -4.85 116.55 105.47 2qz8 n ASP 83 Ca -0.11 -0.49 -0.09 0.00 0.52 0.00 0.00 54.79 54.62 2qz8 n ASP 83 Cb 0.84 -2.53 -0.03 0.00 -0.72 0.00 0.00 41.12 38.68 2qz8 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qz8 h ALA 84 N 0.95 0.17 -0.93 -1.67 0.00 -1.92 -0.76 119.26 115.10 2qz8 h ALA 84 Ca -0.42 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.61 2qz8 h ALA 84 Cb 1.28 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 2qz8 h ALA 84 CO 0.55 -0.43 0.59 -1.35 0.00 0.00 0.00 179.25 178.61 2qz8 h PRO 85 N 0.07 1.03 -0.53 0.00 0.11 -1.98 -0.61 132.00 130.09 2qz8 h PRO 85 Ca 0.09 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 2qz8 h PRO 85 Cb 0.11 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2qz8 h PRO 85 CO -0.15 0.68 -0.14 0.00 -0.21 0.00 0.00 178.00 178.18 2qz8 h ALA 86 N 1.43 0.74 0.00 -0.75 0.00 -1.85 -1.44 119.26 117.39 2qz8 h ALA 86 Ca 0.41 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qz8 h ALA 86 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qz8 h ALA 86 CO -0.18 0.68 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 2qz8 h ARG 87 N 0.91 0.00 -0.01 0.00 3.08 -0.38 -3.13 114.38 114.85 2qz8 h ARG 87 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2qz8 h ARG 87 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2qz8 h ARG 87 CO 0.05 0.13 -0.42 1.28 -1.07 0.00 0.00 179.97 179.95 2qz8 n LEU 88 N -3.44 1.73 0.20 3.04 4.77 -0.31 -4.69 117.00 118.30 2qz8 n LEU 88 Ca -0.01 -0.75 0.14 0.00 -0.03 0.00 0.00 56.01 55.37 2qz8 n LEU 88 Cb 0.29 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 41.94 2qz8 n LEU 88 CO 0.30 0.33 0.92 1.05 -1.33 0.00 0.00 177.39 178.66 2qz8 h GLU 89 N 1.93 0.00 0.00 3.23 4.11 -1.21 -0.72 114.58 121.92 2qz8 h GLU 89 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qz8 h GLU 89 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2qz8 h GLU 89 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.69 2qz8 n HIS 90 N -2.67 0.00 -2.44 2.06 1.44 -1.26 -4.63 115.22 107.72 2qz8 n HIS 90 Ca 0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.31 2qz8 n HIS 90 Cb 0.29 -0.50 -0.02 0.00 0.12 0.00 0.00 29.99 29.88 2qz8 n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2qz8 s ILE 91 N -3.00 3.92 0.03 0.61 1.01 -0.28 -4.86 121.20 118.63 2qz8 s ILE 91 Ca 0.12 0.86 0.28 0.00 0.00 0.00 0.00 60.65 61.91 2qz8 s ILE 91 Cb 0.16 -4.45 0.31 0.00 0.01 0.00 0.00 42.46 38.50 2qz8 s ILE 91 CO 0.46 -1.07 1.86 -0.33 0.00 0.00 0.00 174.94 175.86 2qz8 h GLU 92 N 10.46 0.00 0.00 2.79 5.08 -1.87 -2.14 114.58 128.90 2qz8 h GLU 92 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2qz8 h GLU 92 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2qz8 h GLU 92 CO 1.15 0.10 0.00 0.39 -1.00 0.00 0.00 179.01 179.65 2qz8 n GLU 93 N -3.21 0.17 -2.86 2.33 4.71 -1.26 -4.53 120.64 115.98 2qz8 n GLU 93 Ca 0.01 0.38 -0.43 0.00 -0.01 0.00 0.00 57.16 57.11 2qz8 n GLU 93 Cb 0.40 -1.81 -0.04 0.00 -1.01 0.00 0.00 31.44 28.97 2qz8 n GLU 93 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qz8 s VAL 94 N -3.26 4.41 0.07 2.62 1.01 -0.81 -1.28 120.40 123.17 2qz8 s VAL 94 Ca 0.05 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.31 2qz8 s VAL 94 Cb 0.10 -4.54 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 2qz8 s VAL 94 CO 0.38 -1.13 1.41 -0.08 0.00 0.00 0.00 175.10 175.68 2qz8 h GLU 95 N 9.32 0.00 -2.08 2.72 4.81 -0.83 -3.47 114.58 125.05 2qz8 h GLU 95 Ca -0.26 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2qz8 h GLU 95 Cb 1.07 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.27 2qz8 h GLU 95 CO 1.09 0.76 0.19 -1.54 -0.73 0.00 0.00 179.01 178.78 2qz8 s SER 96 N -6.63 -0.65 -0.13 1.04 1.04 -1.18 -4.97 113.70 102.21 2qz8 s SER 96 Ca 0.01 0.66 -0.04 0.00 0.48 0.00 0.00 55.95 57.06 2qz8 s SER 96 Cb 0.10 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.83 2qz8 s SER 96 CO 0.78 -0.64 0.23 0.00 0.98 0.00 0.00 173.24 174.59 2qz8 s TYR 98 N 2.38 2.14 0.39 0.00 1.51 0.36 -5.00 117.35 119.14 2qz8 s TYR 98 Ca 0.03 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.44 2qz8 s TYR 98 Cb -0.13 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.24 2qz8 s TYR 98 CO -0.08 -0.05 0.96 -1.54 -1.11 0.00 0.00 175.55 173.73 2qz8 s SER 99 N -0.53 7.07 0.04 2.29 1.04 -1.26 -0.42 113.70 121.93 2qz8 s SER 99 Ca 0.08 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.29 2qz8 s SER 99 Cb -0.09 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 2qz8 s SER 99 CO -0.01 -0.26 -0.04 0.68 0.98 0.00 0.00 173.24 174.59 2qz8 s VAL 100 N -1.92 0.31 0.53 5.02 -7.23 -0.19 -4.86 120.40 112.06 2qz8 s VAL 100 Ca 0.57 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 59.24 2qz8 s VAL 100 Cb -0.14 -0.88 -0.07 0.00 0.56 0.00 0.00 36.38 35.85 2qz8 s VAL 100 CO 0.18 -0.67 1.00 0.00 -0.31 0.00 0.00 175.10 175.30 2qz8 s ALA 101 N -2.43 3.02 0.00 1.32 0.00 -1.26 -4.62 121.76 117.79 2qz8 s ALA 101 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2qz8 s ALA 101 Cb -0.03 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2qz8 s ALA 101 CO -0.04 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2qz8 n GLY 102 N -1.51 0.37 0.09 0.00 0.00 -1.26 -4.79 105.19 98.10 2qz8 n GLY 102 Ca 0.07 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2qz8 n GLY 102 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qz8 h GLU 103 N 0.00 0.16 -6.89 1.61 4.81 -2.02 -3.44 114.58 108.80 2qz8 h GLU 103 Ca 0.00 -0.08 -0.49 0.00 -0.13 0.00 0.00 59.36 58.65 2qz8 h GLU 103 Cb 0.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.41 2qz8 h GLU 103 CO 0.00 0.61 0.10 -1.21 -0.73 0.00 0.00 179.01 177.78 2qz8 s GLU 104 N -4.25 3.61 -0.10 1.92 8.01 -1.26 -4.99 118.70 121.64 2qz8 s GLU 104 Ca -0.15 0.27 0.07 0.00 0.01 0.00 0.00 54.97 55.16 2qz8 s GLU 104 Cb 0.03 -2.39 -0.24 0.00 -4.31 0.00 0.00 34.13 27.22 2qz8 s GLU 104 CO 0.71 -0.15 0.45 0.43 0.01 0.00 0.00 175.26 176.71 2qz8 n SER 105 N -1.95 1.22 -4.00 -0.19 7.64 -0.40 -4.66 113.62 111.29 2qz8 n SER 105 Ca 0.01 0.27 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 2qz8 n SER 105 Cb 0.55 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.43 2qz8 n SER 105 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2qz8 s TYR 106 N -2.57 0.32 -0.05 1.43 1.51 -0.91 -1.02 117.35 116.07 2qz8 s TYR 106 Ca -0.12 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 2qz8 s TYR 106 Cb 0.07 -0.23 -0.00 0.00 -0.11 0.00 0.00 41.96 41.69 2qz8 s TYR 106 CO 0.79 -0.21 -0.18 0.08 -1.11 0.00 0.00 175.55 174.93 2qz8 s VAL 107 N -1.79 1.51 0.02 0.71 1.01 0.43 -0.41 120.40 121.88 2qz8 s VAL 107 Ca -0.13 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2qz8 s VAL 107 Cb -0.08 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2qz8 s VAL 107 CO -0.02 0.43 -0.19 -0.04 0.00 0.00 0.00 175.10 175.28 2qz8 s MET 108 N 0.07 1.42 -0.22 2.72 -1.94 -0.17 -0.48 119.30 120.70 2qz8 s MET 108 Ca -0.05 -0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 52.99 2qz8 s MET 108 Cb -0.12 -1.45 -0.05 0.00 2.01 0.00 0.00 34.83 35.22 2qz8 s MET 108 CO 0.03 0.38 0.23 -1.17 -0.01 0.00 0.00 175.02 174.48 2qz8 s LEU 109 N -0.87 4.15 0.03 -0.03 2.96 -0.83 -0.33 118.68 123.76 2qz8 s LEU 109 Ca 0.07 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 2qz8 s LEU 109 Cb -0.08 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 2qz8 s LEU 109 CO 0.01 0.04 -0.14 0.54 -1.32 0.00 0.00 176.35 175.48 2qz8 s VAL 110 N 0.98 1.13 -0.07 1.68 0.11 -0.20 -0.21 120.40 123.82 2qz8 s VAL 110 Ca 0.12 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 2qz8 s VAL 110 Cb -0.13 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2qz8 s VAL 110 CO 0.05 0.07 -0.10 -0.13 -3.33 0.00 0.00 175.10 171.66 2qz8 s ARG 111 N -0.98 1.51 0.15 1.54 1.81 -0.40 -1.61 118.95 120.96 2qz8 s ARG 111 Ca 0.03 -0.33 -0.05 0.00 -1.72 0.00 0.00 55.73 53.66 2qz8 s ARG 111 Cb -0.07 -1.33 -0.03 0.00 -0.45 0.00 0.00 34.95 33.07 2qz8 s ARG 111 CO 0.01 -0.04 0.16 0.14 -0.68 0.00 0.00 175.30 174.89 2qz8 s VAL 112 N 0.87 0.08 0.16 3.52 -7.23 0.24 -4.71 120.40 113.34 2qz8 s VAL 112 Ca -0.11 -1.67 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 2qz8 s VAL 112 Cb -0.15 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 2qz8 s VAL 112 CO 0.01 -0.39 1.45 0.00 -0.31 0.00 0.00 175.10 175.87 2qz8 h ALA 113 N 2.72 0.58 -2.85 1.32 0.00 -1.82 -1.25 119.26 117.96 2qz8 h ALA 113 Ca -0.33 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 2qz8 h ALA 113 Cb 1.21 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2qz8 h ALA 113 CO 0.54 0.69 -0.09 -1.54 0.00 0.00 0.00 179.25 178.85 2qz8 s SER 114 N -6.95 -0.11 0.45 0.00 1.04 -1.26 -3.64 113.70 103.23 2qz8 s SER 114 Ca -0.09 -0.89 0.15 0.00 0.48 0.00 0.00 55.95 55.60 2qz8 s SER 114 Cb 0.11 0.60 1.08 0.00 0.10 0.00 0.00 66.02 67.90 2qz8 s SER 114 CO 0.86 -1.16 1.99 0.00 0.98 0.00 0.00 173.24 175.91 2qz8 h ALA 115 N 2.23 2.07 0.03 5.32 0.00 -1.96 -1.13 119.26 125.83 2qz8 h ALA 115 Ca -0.25 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 2qz8 h ALA 115 Cb 1.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2qz8 h ALA 115 CO 0.34 -0.20 -1.19 0.00 0.00 0.00 0.00 179.25 178.20 2qz8 h ARG 116 N 0.35 0.06 -0.37 0.00 3.08 -1.99 -1.40 114.38 114.12 2qz8 h ARG 116 Ca 0.27 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2qz8 h ARG 116 Cb 0.58 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2qz8 h ARG 116 CO -0.07 0.96 -0.20 0.00 -1.07 0.00 0.00 179.97 179.59 2qz8 h ALA 117 N 0.90 0.97 -0.37 0.04 0.00 -1.91 -2.04 119.26 116.86 2qz8 h ALA 117 Ca -0.09 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2qz8 h ALA 117 Cb 1.86 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2qz8 h ALA 117 CO 0.13 0.60 0.08 1.25 0.00 0.00 0.00 179.25 181.31 2qz8 h LEU 118 N 0.62 0.02 -0.65 0.00 5.85 -0.90 0.26 115.31 120.51 2qz8 h LEU 118 Ca 0.09 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2qz8 h LEU 118 Cb 0.67 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2qz8 h LEU 118 CO 0.05 0.05 0.42 -0.08 -0.34 0.00 0.00 178.44 178.53 2qz8 h GLU 119 N 0.20 0.86 -0.66 1.25 4.81 -0.98 -0.84 114.58 119.22 2qz8 h GLU 119 Ca 0.17 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2qz8 h GLU 119 Cb 0.20 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2qz8 h GLU 119 CO -0.23 0.58 0.30 -0.44 -0.73 0.00 0.00 179.01 178.50 2qz8 h ASP 120 N 0.88 0.88 -0.46 1.04 3.32 -0.84 -2.91 116.42 118.33 2qz8 h ASP 120 Ca 0.24 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2qz8 h ASP 120 Cb -0.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 2qz8 h ASP 120 CO -0.05 0.78 0.26 0.25 -1.72 0.00 0.00 179.24 178.76 2qz8 h LEU 121 N 0.92 0.56 -0.32 1.55 5.85 0.20 -1.83 115.31 122.25 2qz8 h LEU 121 Ca 0.23 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2qz8 h LEU 121 Cb 0.14 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2qz8 h LEU 121 CO -0.03 0.48 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.40 2qz8 h LEU 122 N 0.60 -0.31 -0.72 2.25 4.07 -1.12 0.13 115.31 120.20 2qz8 h LEU 122 Ca 0.16 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.17 2qz8 h LEU 122 Cb 0.04 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 2qz8 h LEU 122 CO -0.03 -0.11 0.26 -0.61 -1.08 0.00 0.00 178.44 176.87 2qz8 h GLN 123 N -0.01 1.11 -0.61 1.13 5.75 -1.31 -0.88 115.11 120.29 2qz8 h GLN 123 Ca 0.16 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 2qz8 h GLN 123 Cb 0.24 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2qz8 h GLN 123 CO -0.34 0.93 0.11 -0.09 -2.65 0.00 0.00 178.83 176.79 2qz8 h ARG 124 N 1.06 1.01 -0.44 1.69 2.43 -0.61 -0.49 114.38 119.02 2qz8 h ARG 124 Ca 0.24 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2qz8 h ARG 124 Cb 0.26 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2qz8 h ARG 124 CO -0.01 0.94 0.25 0.82 -1.51 0.00 0.00 179.97 180.45 2qz8 h ILE 125 N 0.91 1.01 -0.36 1.20 2.04 -0.51 -0.27 117.51 121.54 2qz8 h ILE 125 Ca 0.19 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 2qz8 h ILE 125 Cb 0.41 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2qz8 h ILE 125 CO 0.01 0.09 -0.01 0.03 0.00 0.00 0.00 178.15 178.27 2qz8 h ARG 126 N 0.49 0.64 -0.33 2.37 3.08 -0.71 -1.90 114.38 118.03 2qz8 h ARG 126 Ca 0.18 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2qz8 h ARG 126 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2qz8 h ARG 126 CO -0.10 0.76 -0.12 1.15 -1.07 0.00 0.00 179.97 180.59 2qz8 h THR 127 N 0.45 1.28 -0.30 2.04 2.02 -1.08 0.17 112.91 117.49 2qz8 h THR 127 Ca 0.10 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2qz8 h THR 127 Cb 0.48 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2qz8 h THR 127 CO 0.02 0.39 0.19 0.74 0.37 0.00 0.00 175.52 177.24 2qz8 h THR 128 N 0.45 1.09 -0.13 3.16 2.02 -0.93 -3.28 112.91 115.28 2qz8 h THR 128 Ca 0.08 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2qz8 h THR 128 Cb 0.64 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2qz8 h THR 128 CO 0.04 0.09 0.00 0.00 0.37 0.00 0.00 175.52 176.02 2qz8 n ALA 129 N -2.19 2.36 -3.41 6.16 0.00 -0.73 -4.97 120.51 117.74 2qz8 n ALA 129 Ca -0.01 -0.79 -0.21 0.00 0.00 0.00 0.00 53.44 52.42 2qz8 n ALA 129 Cb 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 19.45 19.16 2qz8 n ALA 129 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qz8 n ASN 130 N 0.55 -6.18 -4.21 0.00 5.15 0.55 -4.86 115.26 106.27 2qz8 n ASN 130 Ca 0.08 -0.82 -0.12 0.00 -0.60 0.00 0.00 54.58 53.11 2qz8 n ASN 130 Cb 0.32 -4.53 -0.10 0.00 -0.53 0.00 0.00 39.78 34.95 2qz8 n ASN 130 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2qz8 s VAL 131 N -3.41 0.79 0.49 3.44 -7.23 -0.98 -1.80 120.40 111.70 2qz8 s VAL 131 Ca 0.46 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2qz8 s VAL 131 Cb -0.10 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.95 2qz8 s VAL 131 CO 0.79 -0.70 0.75 0.00 -0.31 0.00 0.00 175.10 175.63 2qz8 s ARG 132 N -3.85 3.09 -0.02 4.82 1.70 0.53 -4.53 118.95 120.69 2qz8 s ARG 132 Ca 0.17 -0.26 0.01 0.00 -0.47 0.00 0.00 55.73 55.18 2qz8 s ARG 132 Cb 0.05 -2.46 0.01 0.00 -0.57 0.00 0.00 34.95 31.98 2qz8 s ARG 132 CO -0.00 -0.38 -0.05 -0.08 -1.08 0.00 0.00 175.30 173.71 2qz8 s THR 133 N -2.70 0.44 -0.05 4.99 -1.32 -1.26 -1.86 115.64 113.88 2qz8 s THR 133 Ca 0.50 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.81 2qz8 s THR 133 Cb -0.10 -0.42 0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2qz8 s THR 133 CO 0.41 0.16 0.00 -0.60 -2.21 0.00 0.00 174.62 172.38 2qz8 s ARG 134 N 0.34 0.47 -0.03 7.08 3.52 0.23 -4.99 118.95 125.58 2qz8 s ARG 134 Ca -0.04 0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.70 2qz8 s ARG 134 Cb -0.08 -0.78 -0.03 0.00 -1.56 0.00 0.00 34.95 32.51 2qz8 s ARG 134 CO -0.00 -0.24 -0.10 -1.54 -0.81 0.00 0.00 175.30 172.61 2qz8 s SER 135 N 1.65 4.38 -0.25 -2.12 1.04 -1.26 -0.21 113.70 116.92 2qz8 s SER 135 Ca -0.00 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.30 2qz8 s SER 135 Cb -0.13 -0.99 0.05 0.00 0.10 0.00 0.00 66.02 65.05 2qz8 s SER 135 CO -0.03 0.33 -0.11 -0.89 0.98 0.00 0.00 173.24 173.52 2qz8 s THR 136 N -0.85 2.31 0.09 2.02 2.01 0.48 -4.99 115.64 116.72 2qz8 s THR 136 Ca 0.14 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 2qz8 s THR 136 Cb -0.11 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 2qz8 s THR 136 CO 0.03 0.06 1.02 -0.63 -0.69 0.00 0.00 174.62 174.41 2qz8 s ILE 137 N 1.16 4.40 -0.12 1.82 1.01 -1.26 -1.28 121.20 126.94 2qz8 s ILE 137 Ca -0.06 1.91 -0.27 0.00 0.00 0.00 0.00 60.65 62.23 2qz8 s ILE 137 Cb -0.19 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 2qz8 s ILE 137 CO -0.06 0.25 0.89 -0.63 0.00 0.00 0.00 174.94 175.40 2qz8 s ILE 138 N 0.29 4.86 -0.10 2.92 1.01 -0.77 -4.95 121.20 124.46 2qz8 s ILE 138 Ca 0.50 1.80 -0.02 0.00 0.00 0.00 0.00 60.65 62.93 2qz8 s ILE 138 Cb -0.25 -4.21 -0.25 0.00 0.01 0.00 0.00 42.46 37.76 2qz8 s ILE 138 CO 0.30 0.05 0.45 0.18 0.00 0.00 0.00 174.94 175.92 2qz8 n LEU 139 N 4.89 2.19 -3.67 2.97 4.77 -1.26 -4.60 117.00 122.29 2qz8 n LEU 139 Ca 0.06 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 2qz8 n LEU 139 Cb 0.49 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 2qz8 n LEU 139 CO 0.50 0.74 0.25 0.21 -1.33 0.00 0.00 177.39 177.75 2qz8 s ASN 140 N -6.80 -0.56 -0.35 -1.43 2.47 -1.26 -5.12 114.94 101.89 2qz8 s ASN 140 Ca -0.18 1.00 -0.12 0.00 0.42 0.00 0.00 52.86 53.98 2qz8 s ASN 140 Cb 0.07 1.01 -0.00 0.00 -1.45 0.00 0.00 41.25 40.88 2qz8 s ASN 140 CO 0.78 -0.26 0.23 -0.89 -3.72 0.00 0.00 177.10 173.24 2qz8 s THR 141 N -0.00 5.01 -0.03 -5.21 2.01 -1.26 -4.97 115.64 111.18 2qz8 s THR 141 Ca -0.02 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 2qz8 s THR 141 Cb -0.04 -3.65 -0.32 0.00 0.01 0.00 0.00 72.50 68.51 2qz8 s THR 141 CO 0.02 -0.08 0.73 -0.26 -0.69 0.00 0.00 174.62 174.34 2qz8 h PHE 142 N 8.48 0.77 -2.61 4.92 0.04 -2.06 -3.47 116.94 123.01 2qz8 h PHE 142 Ca -0.30 -0.56 -0.02 0.00 2.80 0.00 0.00 57.97 59.88 2qz8 h PHE 142 Cb 1.14 -0.03 -0.15 0.00 2.20 0.00 0.00 35.95 39.11 2qz8 h PHE 142 CO 0.62 1.66 0.23 1.52 -0.60 0.00 0.00 178.31 181.73 2qz8 s TYR 143 N -2.58 -0.57 0.29 -0.55 -0.85 -1.26 -5.19 117.35 106.65 2qz8 s TYR 143 Ca -0.15 0.59 -0.06 0.00 -0.52 0.00 0.00 57.07 56.93 2qz8 s TYR 143 Cb 0.05 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2qz8 s TYR 143 CO 0.87 -0.75 0.49 -1.13 -1.52 0.00 0.00 175.55 173.52 2qz8 n SER 144 N 0.07 -1.40 -1.70 -0.18 3.41 -1.26 -4.97 113.62 107.59 2qz8 n SER 144 Ca -0.17 -2.40 -0.17 0.00 -0.26 0.00 0.00 58.87 55.88 2qz8 n SER 144 Cb 0.62 2.45 -0.06 0.00 -0.26 0.00 0.00 64.21 66.97 2qz8 n SER 144 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qz8 n ASP 145 N -1.59 -4.54 -4.58 4.04 9.92 -1.26 -4.91 116.55 113.63 2qz8 n ASP 145 Ca -0.03 0.34 -0.42 0.00 -0.53 0.00 0.00 54.79 54.15 2qz8 n ASP 145 Cb 0.47 -4.04 -0.03 0.00 -0.64 0.00 0.00 41.12 36.88 2qz8 n ASP 145 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2qz8 s ARG 146 N -3.79 3.52 -0.20 -1.24 0.52 -1.26 -4.98 118.95 111.53 2qz8 s ARG 146 Ca 0.00 0.23 -0.14 0.00 -0.52 0.00 0.00 55.73 55.30 2qz8 s ARG 146 Cb 0.00 -4.00 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 2qz8 s ARG 146 CO 0.00 -1.61 0.32 -0.65 0.02 0.00 0.00 175.30 173.38 2qz8 s GLN 147 N 4.74 4.18 -0.23 3.54 -0.21 -1.26 -5.07 119.66 125.35 2qz8 s GLN 147 Ca 0.42 0.07 -0.07 0.00 0.02 0.00 0.00 55.36 55.80 2qz8 s GLN 147 Cb -0.08 -3.50 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 2qz8 s GLN 147 CO 0.26 0.06 0.07 -1.58 -2.12 0.00 0.00 175.29 171.98 2qz8 s HIS 148 N 1.01 3.11 -0.39 0.91 5.65 -1.26 -5.03 115.29 119.30 2qz8 s HIS 148 Ca 0.16 -0.30 -0.05 0.00 0.25 0.00 0.00 55.06 55.11 2qz8 s HIS 148 Cb -0.14 -2.20 0.08 0.00 -1.18 0.00 0.00 32.58 29.14 2qz8 s HIS 148 CO 0.06 -0.25 0.18 0.42 -0.65 0.00 0.00 174.74 174.50 2qz8 s ILE 149 N 1.35 3.59 -2.00 0.89 -1.09 -1.26 -5.19 121.20 117.50 2qz8 s ILE 149 Ca 0.05 -1.64 0.08 0.00 -2.23 0.00 0.00 60.65 56.91 2qz8 s ILE 149 Cb -0.15 -3.27 0.22 0.00 -1.58 0.00 0.00 42.46 37.68 2qz8 s ILE 149 CO 0.04 -0.49 0.91 -2.65 -1.23 0.00 0.00 174.94 171.52