#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1h n GLU 4 N 0.00 1.08 0.09 1.64 -0.00 -1.26 -3.17 120.64 119.02 2d1h n GLU 4 Ca 0.00 -0.11 0.12 0.00 -0.00 0.00 0.00 57.16 57.16 2d1h n GLU 4 Cb 0.00 -1.45 0.04 0.00 -0.00 0.00 0.00 31.44 30.03 2d1h n GLU 4 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2d1h h LYS 5 N 0.26 0.00 -0.87 3.44 1.79 -2.05 -3.37 116.57 115.77 2d1h h LYS 5 Ca 0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 2d1h h LYS 5 Cb 0.06 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.61 2d1h h LYS 5 CO 0.00 0.00 0.44 -0.07 -1.08 0.00 0.00 179.45 178.74 2d1h h LEU 6 N 0.00 0.52 -1.45 2.94 4.07 -1.98 -0.86 115.31 118.56 2d1h h LEU 6 Ca 0.00 0.10 0.12 0.00 0.08 0.00 0.00 57.88 58.18 2d1h h LEU 6 Cb 0.93 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.64 2d1h h LEU 6 CO 0.00 0.19 0.50 -0.08 -1.08 0.00 0.00 178.44 177.97 2d1h h GLU 7 N 0.60 0.57 0.00 1.13 4.57 -1.83 -1.12 114.58 118.50 2d1h h GLU 7 Ca 0.49 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2d1h h GLU 7 Cb 0.73 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2d1h h GLU 7 CO -0.39 0.38 0.00 0.66 -1.18 0.00 0.00 179.01 178.48 2d1h h SER 8 N 0.59 0.00 -0.33 1.04 4.64 -1.41 -2.91 113.55 115.17 2d1h h SER 8 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2d1h h SER 8 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2d1h h SER 8 CO -0.13 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.12 2d1h n LYS 9 N -2.64 3.32 -0.03 4.77 5.02 -0.43 -4.69 118.16 123.47 2d1h n LYS 9 Ca 0.02 -2.90 0.09 0.00 -2.02 0.00 0.00 58.31 53.49 2d1h n LYS 9 Cb 0.29 -1.93 0.48 0.00 -0.02 0.00 0.00 35.03 33.85 2d1h n LYS 9 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2d1h h LYS 10 N 2.26 0.42 -0.24 1.97 2.10 -1.42 -1.78 116.57 119.87 2d1h h LYS 10 Ca 0.00 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 2d1h h LYS 10 Cb 1.55 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.78 2d1h h LYS 10 CO 0.28 0.28 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.45 2d1h h ASP 11 N 0.43 0.52 -0.20 7.07 3.32 -1.86 -0.70 116.42 125.00 2d1h h ASP 11 Ca 0.21 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 2d1h h ASP 11 Cb 0.30 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2d1h h ASP 11 CO -0.06 0.81 0.12 -0.33 -1.72 0.00 0.00 179.24 178.07 2d1h h GLU 12 N 0.23 0.27 0.11 3.56 3.07 -1.81 -0.34 114.58 119.66 2d1h h GLU 12 Ca 0.06 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2d1h h GLU 12 Cb 0.61 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2d1h h GLU 12 CO 0.03 0.22 -0.08 0.82 -1.40 0.00 0.00 179.01 178.60 2d1h h ILE 13 N 0.25 0.82 -0.08 3.13 2.04 -1.33 0.16 117.51 122.50 2d1h h ILE 13 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2d1h h ILE 13 Cb 0.02 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2d1h h ILE 13 CO -0.01 0.00 0.04 -0.09 0.00 0.00 0.00 178.15 178.09 2d1h h ARG 14 N -0.19 0.11 -0.47 2.37 2.43 -1.00 -1.63 114.38 116.00 2d1h h ARG 14 Ca -0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2d1h h ARG 14 Cb 0.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2d1h h ARG 14 CO -0.01 0.17 0.10 0.00 -1.51 0.00 0.00 179.97 178.72 2d1h h TYR 17 N 0.96 0.00 -5.17 0.00 0.05 -1.27 -3.48 116.97 108.06 2d1h h TYR 17 Ca 0.18 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.69 2d1h h TYR 17 Cb 0.51 0.00 0.16 0.00 1.01 0.00 0.00 36.73 38.41 2d1h h TYR 17 CO 0.04 0.00 -0.70 1.63 -1.05 0.00 0.00 178.16 178.08 2d1h n LYS 18 N -2.35 -4.59 -4.30 4.88 5.02 0.77 -5.03 118.16 112.56 2d1h n LYS 18 Ca 0.03 0.75 -0.27 0.00 -2.02 0.00 0.00 58.31 56.80 2d1h n LYS 18 Cb 0.47 -5.39 -0.07 0.00 -0.02 0.00 0.00 35.03 30.01 2d1h n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2d1h s ILE 19 N -3.32 1.98 0.70 -0.18 -4.36 -0.79 -5.04 121.20 110.18 2d1h s ILE 19 Ca 0.13 -1.78 -0.04 0.00 -0.26 0.00 0.00 60.65 58.70 2d1h s ILE 19 Cb -0.02 -2.75 0.09 0.00 1.25 0.00 0.00 42.46 41.03 2d1h s ILE 19 CO 0.64 0.00 0.98 0.42 0.24 0.00 0.00 174.94 177.22 2d1h s THR 20 N -2.69 2.30 0.35 8.37 -4.23 -1.26 -4.75 115.64 113.73 2d1h s THR 20 Ca 0.33 -0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.47 2d1h s THR 20 Cb 0.04 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 71.16 2d1h s THR 20 CO 0.18 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.55 2d1h h ASP 21 N -0.51 0.30 -0.22 3.99 3.32 -1.99 -1.78 116.42 119.53 2d1h h ASP 21 Ca -0.41 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2d1h h ASP 21 Cb 1.29 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2d1h h ASP 21 CO 0.49 0.49 -0.06 0.74 -1.72 0.00 0.00 179.24 179.18 2d1h h THR 22 N 0.29 1.29 -0.34 0.35 2.02 -1.99 -1.56 112.91 112.97 2d1h h THR 22 Ca 0.05 -1.07 0.07 0.00 0.77 0.00 0.00 66.41 66.23 2d1h h THR 22 Cb 0.47 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 2d1h h THR 22 CO 0.03 0.33 -0.10 0.44 0.37 0.00 0.00 175.52 176.59 2d1h h ASP 23 N 0.15 -0.36 -0.55 4.18 3.32 -1.83 -1.17 116.42 120.16 2d1h h ASP 23 Ca 0.05 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2d1h h ASP 23 Cb 0.53 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2d1h h ASP 23 CO 0.02 -0.13 -0.07 0.58 -1.72 0.00 0.00 179.24 177.93 2d1h h VAL 24 N -0.02 1.27 -0.35 -1.35 2.07 -1.24 -2.15 116.25 114.47 2d1h h VAL 24 Ca 0.17 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 2d1h h VAL 24 Cb 0.27 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2d1h h VAL 24 CO -0.36 0.43 0.02 0.00 0.02 0.00 0.00 177.57 177.68 2d1h h ALA 25 N 0.94 1.38 -0.06 1.67 0.00 -0.95 0.53 119.26 122.77 2d1h h ALA 25 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2d1h h ALA 25 Cb 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2d1h h ALA 25 CO 0.04 0.43 0.00 0.28 0.00 0.00 0.00 179.25 180.01 2d1h h VAL 26 N 0.52 1.23 0.14 0.00 2.07 -1.00 -0.98 116.25 118.24 2d1h h VAL 26 Ca 0.11 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2d1h h VAL 26 Cb 0.30 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2d1h h VAL 26 CO 0.01 0.20 -0.33 0.25 0.02 0.00 0.00 177.57 177.72 2d1h h LEU 27 N -0.17 -0.94 -1.15 2.57 5.85 -0.94 -2.79 115.31 117.74 2d1h h LEU 27 Ca 0.02 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2d1h h LEU 27 Cb 0.31 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2d1h h LEU 27 CO 0.00 -0.42 0.42 -0.07 -0.34 0.00 0.00 178.44 178.03 2d1h h LEU 28 N -0.57 0.89 -1.68 2.25 3.38 -0.89 -1.53 115.31 117.17 2d1h h LEU 28 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2d1h h LEU 28 Cb 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2d1h h LEU 28 CO -0.18 0.70 0.00 1.17 0.09 0.00 0.00 178.44 180.22 2d1h n LYS 29 N -4.37 0.26 0.00 1.13 3.00 -0.38 -1.49 118.16 116.31 2d1h n LYS 29 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2d1h n LYS 29 Cb 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.82 2d1h n LYS 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2d1h n VAL 31 N 0.71 0.00 -0.14 3.15 0.31 -0.58 -1.95 118.33 119.83 2d1h n VAL 31 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2d1h n VAL 31 Cb 0.11 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.05 2d1h n VAL 31 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2d1h h GLU 32 N 0.00 0.58 0.00 5.55 4.11 -1.53 -3.03 114.58 120.25 2d1h h GLU 32 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2d1h h GLU 32 Cb 0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2d1h h GLU 32 CO 0.00 0.38 -0.14 -0.84 0.07 0.00 0.00 179.01 178.49 2d1h h ILE 33 N 0.60 0.44 -6.27 -1.06 3.07 -1.67 -3.47 117.51 109.16 2d1h h ILE 33 Ca 0.16 -0.74 -0.47 0.00 1.55 0.00 0.00 64.86 65.36 2d1h h ILE 33 Cb -0.07 1.52 -0.02 0.00 -0.27 0.00 0.00 36.82 37.98 2d1h h ILE 33 CO -0.04 0.14 -0.76 -0.62 -1.05 0.00 0.00 178.15 175.82 2d1h n GLU 34 N -3.42 -5.55 -3.49 0.16 1.02 -1.15 -4.97 120.64 103.24 2d1h n GLU 34 Ca -0.01 0.61 -0.13 0.00 -0.02 0.00 0.00 57.16 57.61 2d1h n GLU 34 Cb 0.32 -5.46 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 2d1h n GLU 34 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2d1h s LYS 35 N -6.54 1.02 0.76 3.49 -2.85 -1.26 -5.15 119.74 109.21 2d1h s LYS 35 Ca 0.58 -0.10 -0.15 0.00 -1.00 0.00 0.00 55.97 55.31 2d1h s LYS 35 Cb -0.29 0.47 0.06 0.00 -2.06 0.00 0.00 37.83 36.01 2d1h s LYS 35 CO 0.83 -0.39 1.23 -1.25 0.10 0.00 0.00 175.35 175.86 2d1h s PRO 36 N -2.38 1.91 -0.03 1.78 0.04 -1.26 -4.89 135.00 130.17 2d1h s PRO 36 Ca -0.03 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 2d1h s PRO 36 Cb -0.01 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2d1h s PRO 36 CO -0.02 -2.03 0.30 -1.50 0.04 0.00 0.00 177.00 173.79 2d1h s ILE 37 N -1.94 0.05 0.47 0.56 2.07 -0.41 -4.92 121.20 117.08 2d1h s ILE 37 Ca 0.76 -0.43 -0.04 0.00 -1.41 0.00 0.00 60.65 59.52 2d1h s ILE 37 Cb -0.31 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 2d1h s ILE 37 CO 0.47 -0.24 0.76 0.42 -1.91 0.00 0.00 174.94 174.44 2d1h s THR 38 N -1.16 4.75 0.39 4.00 -4.23 -1.26 -0.51 115.64 117.62 2d1h s THR 38 Ca -0.12 0.04 0.18 0.00 -1.18 0.00 0.00 61.69 60.61 2d1h s THR 38 Cb -0.05 -3.80 0.18 0.00 1.34 0.00 0.00 72.50 70.17 2d1h s THR 38 CO 0.04 -0.74 1.94 0.77 -0.54 0.00 0.00 174.62 176.09 2d1h h SER 39 N 0.27 0.00 -0.47 3.99 4.64 -1.97 -2.22 113.55 117.79 2d1h h SER 39 Ca -0.47 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 2d1h h SER 39 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2d1h h SER 39 CO 0.61 0.24 0.02 -0.33 -0.87 0.00 0.00 176.83 176.50 2d1h h GLU 40 N 0.00 0.82 -0.57 4.77 3.07 -1.93 -0.40 114.58 120.35 2d1h h GLU 40 Ca -0.00 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.55 2d1h h GLU 40 Cb 0.48 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2d1h h GLU 40 CO 0.03 0.86 0.13 0.93 -1.40 0.00 0.00 179.01 179.56 2d1h h GLU 41 N 0.68 0.92 -0.58 2.33 5.08 -1.85 -2.45 114.58 118.70 2d1h h GLU 41 Ca 0.14 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2d1h h GLU 41 Cb 0.48 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2d1h h GLU 41 CO 0.02 0.86 0.03 -0.07 -1.00 0.00 0.00 179.01 178.85 2d1h h LEU 42 N 0.82 0.94 -1.30 1.33 3.38 -1.24 -2.29 115.31 116.95 2d1h h LEU 42 Ca 0.18 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2d1h h LEU 42 Cb 0.36 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2d1h h LEU 42 CO 0.00 0.98 0.49 0.00 0.09 0.00 0.00 178.44 180.01 2d1h h ALA 43 N 1.12 1.55 -0.23 1.53 0.00 -0.77 -2.13 119.26 120.33 2d1h h ALA 43 Ca 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2d1h h ALA 43 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2d1h h ALA 43 CO 0.02 0.38 -0.27 0.22 0.00 0.00 0.00 179.25 179.61 2d1h h ASP 44 N 0.92 0.63 -0.32 0.00 3.58 -1.12 0.45 116.42 120.57 2d1h h ASP 44 Ca 0.29 -0.49 0.03 0.00 0.42 0.00 0.00 57.03 57.29 2d1h h ASP 44 Cb 0.03 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2d1h h ASP 44 CO -0.08 0.99 0.11 0.40 -2.88 0.00 0.00 179.24 177.79 2d1h h ILE 45 N 0.28 0.92 -0.02 2.25 2.04 -1.09 -2.99 117.51 118.90 2d1h h ILE 45 Ca 0.03 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2d1h h ILE 45 Cb 0.83 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2d1h h ILE 45 CO 0.06 0.05 -0.26 0.49 0.00 0.00 0.00 178.15 178.49 2d1h n PHE 46 N -5.02 0.00 -3.67 1.37 3.01 -0.83 -4.97 117.46 107.35 2d1h n PHE 46 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 2d1h n PHE 46 Cb 0.11 -0.03 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 2d1h n PHE 46 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2d1h n LYS 47 N 0.09 -5.16 -4.53 -1.08 4.76 0.15 -5.00 118.16 107.38 2d1h n LYS 47 Ca 0.12 0.65 -0.25 0.00 -2.87 0.00 0.00 58.31 55.96 2d1h n LYS 47 Cb 0.44 -5.28 -0.11 0.00 -1.84 0.00 0.00 35.03 28.25 2d1h n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2d1h s LEU 48 N -6.66 2.70 0.60 -0.35 1.43 -0.40 -5.03 118.68 110.96 2d1h s LEU 48 Ca 0.03 -1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 51.77 2d1h s LEU 48 Cb -0.01 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 2d1h s LEU 48 CO 0.80 -0.28 1.03 -0.94 0.23 0.00 0.00 176.35 177.19 2d1h s SER 49 N -3.59 6.13 0.31 2.29 1.04 -1.26 -4.59 113.70 114.01 2d1h s SER 49 Ca 0.32 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.34 2d1h s SER 49 Cb 0.04 -2.49 0.63 0.00 0.10 0.00 0.00 66.02 64.30 2d1h s SER 49 CO 0.16 -0.94 1.85 0.50 0.98 0.00 0.00 173.24 175.80 2d1h h LYS 50 N 0.04 0.88 -0.38 4.02 3.64 -1.94 -1.89 116.57 120.94 2d1h h LYS 50 Ca -0.45 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 2d1h h LYS 50 Cb 1.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2d1h h LYS 50 CO 0.60 0.58 -0.13 1.15 -2.27 0.00 0.00 179.45 179.38 2d1h h THR 51 N 0.91 1.28 -0.29 1.00 2.02 -1.96 0.22 112.91 116.09 2d1h h THR 51 Ca 0.47 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2d1h h THR 51 Cb 0.53 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2d1h h THR 51 CO -0.24 0.41 0.18 0.74 0.37 0.00 0.00 175.52 176.99 2d1h h THR 52 N 0.57 1.09 -0.14 3.16 2.02 -1.81 -1.23 112.91 116.57 2d1h h THR 52 Ca 0.09 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2d1h h THR 52 Cb 0.67 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2d1h h THR 52 CO 0.05 0.09 0.07 0.58 0.37 0.00 0.00 175.52 176.68 2d1h h VAL 53 N 0.37 1.00 0.00 3.16 2.07 -1.23 -2.25 116.25 119.38 2d1h h VAL 53 Ca 0.10 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2d1h h VAL 53 Cb -0.02 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2d1h h VAL 53 CO -0.02 0.03 -0.13 -0.33 0.02 0.00 0.00 177.57 177.13 2d1h h GLU 54 N 0.16 0.00 -0.14 1.57 5.08 -0.74 0.12 114.58 120.62 2d1h h GLU 54 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2d1h h GLU 54 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2d1h h GLU 54 CO -0.03 0.13 -0.42 -0.91 -1.00 0.00 0.00 179.01 176.78 2d1h h ASN 55 N 0.00 0.35 -0.07 1.42 -0.26 -0.69 0.83 115.58 117.16 2d1h h ASN 55 Ca -0.00 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.51 2d1h h ASN 55 Cb 0.27 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 2d1h h ASN 55 CO 0.02 0.73 -0.25 0.28 -1.06 0.00 0.00 177.43 177.15 2d1h h SER 56 N 0.27 0.34 -0.74 5.81 0.02 -0.57 -2.96 113.55 115.73 2d1h h SER 56 Ca 0.02 -0.62 0.04 0.00 -0.84 0.00 0.00 61.79 60.39 2d1h h SER 56 Cb 0.85 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2d1h h SER 56 CO 0.07 0.91 0.45 -0.07 -1.14 0.00 0.00 176.83 177.05 2d1h h LEU 57 N -0.20 0.73 -1.03 5.07 3.38 -0.60 -1.35 115.31 121.30 2d1h h LEU 57 Ca -0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2d1h h LEU 57 Cb 0.88 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2d1h h LEU 57 CO 0.05 0.49 0.65 0.50 0.09 0.00 0.00 178.44 180.22 2d1h h LYS 58 N 0.86 1.21 -0.25 1.13 3.64 -0.88 -0.36 116.57 121.92 2d1h h LYS 58 Ca 0.31 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.53 2d1h h LYS 58 Cb 0.09 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2d1h h LYS 58 CO -0.14 0.80 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.44 2d1h h LYS 59 N 1.24 0.57 0.00 1.90 1.63 -1.18 -1.46 116.57 119.27 2d1h h LYS 59 Ca 0.40 -0.27 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2d1h h LYS 59 Cb 0.03 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2d1h h LYS 59 CO -0.13 0.85 -0.22 -0.07 -3.45 0.00 0.00 179.45 176.43 2d1h h LEU 60 N 0.28 0.00 -0.09 5.20 3.38 -0.90 -1.61 115.31 121.57 2d1h h LEU 60 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2d1h h LEU 60 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2d1h h LEU 60 CO 0.05 0.22 -0.20 0.40 0.09 0.00 0.00 178.44 179.00 2d1h h ILE 61 N 0.00 1.40 0.00 1.22 2.04 -0.92 0.96 117.51 122.21 2d1h h ILE 61 Ca -0.00 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2d1h h ILE 61 Cb 0.44 2.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2d1h h ILE 61 CO 0.03 0.43 -0.04 1.05 0.00 0.00 0.00 178.15 179.62 2d1h h GLU 62 N -0.15 0.00 -0.00 2.37 4.11 -0.88 0.12 114.58 120.15 2d1h h GLU 62 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d1h h GLU 62 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2d1h h GLU 62 CO 0.04 0.04 -0.31 1.28 0.07 0.00 0.00 179.01 180.13 2d1h n LEU 63 N -3.35 0.34 0.00 3.06 4.32 -0.64 -4.92 117.00 115.82 2d1h n LEU 63 Ca -0.02 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 2d1h n LEU 63 Cb 0.18 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2d1h n LEU 63 CO 0.26 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 2d1h n GLY 64 N 1.49 0.44 0.09 -0.72 0.00 0.42 -4.93 105.19 101.98 2d1h n GLY 64 Ca 0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 2d1h n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d1h n LEU 65 N 0.00 0.85 -4.30 0.99 4.77 0.29 -4.72 117.00 114.88 2d1h n LEU 65 Ca 0.00 0.38 -0.23 0.00 -0.03 0.00 0.00 56.01 56.13 2d1h n LEU 65 Cb 0.00 0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 2d1h n LEU 65 CO 0.00 0.22 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.09 2d1h s VAL 66 N -2.83 1.74 -0.11 4.08 1.01 -0.97 -0.96 120.40 122.36 2d1h s VAL 66 Ca -0.04 -1.68 0.03 0.00 0.00 0.00 0.00 61.98 60.30 2d1h s VAL 66 Cb 0.08 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2d1h s VAL 66 CO 0.82 -0.16 -0.21 -0.69 0.00 0.00 0.00 175.10 174.85 2d1h s VAL 67 N -1.49 2.28 -0.20 2.92 1.01 0.12 -4.31 120.40 120.72 2d1h s VAL 67 Ca 0.10 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2d1h s VAL 67 Cb -0.08 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2d1h s VAL 67 CO 0.05 0.55 0.12 -0.60 0.00 0.00 0.00 175.10 175.22 2d1h s ARG 68 N 0.38 4.14 -0.13 2.72 3.52 -1.26 -1.10 118.95 127.22 2d1h s ARG 68 Ca -0.16 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 2d1h s ARG 68 Cb -0.17 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 2d1h s ARG 68 CO 0.08 0.28 -0.12 0.99 -0.81 0.00 0.00 175.30 175.72 2d1h s THR 69 N 0.40 1.36 -0.30 4.11 2.01 0.75 -4.98 115.64 118.99 2d1h s THR 69 Ca 0.07 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.29 2d1h s THR 69 Cb -0.11 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.11 2d1h s THR 69 CO -0.01 0.42 1.00 -0.75 -0.69 0.00 0.00 174.62 174.59 2d1h s LYS 70 N 1.51 4.09 -0.04 4.92 2.20 -1.26 -1.30 119.74 129.86 2d1h s LYS 70 Ca 0.04 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2d1h s LYS 70 Cb -0.13 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 2d1h s LYS 70 CO -0.09 -0.79 -0.03 0.25 -0.36 0.00 0.00 175.35 174.33 2d1h n THR 71 N 5.68 0.21 0.08 3.43 -2.24 -1.26 -5.00 114.28 115.17 2d1h n THR 71 Ca 0.10 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2d1h n THR 71 Cb 0.47 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 2d1h n THR 71 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2d1h n PRO 79 N -2.63 0.08 -2.89 -0.78 -0.02 -1.26 -4.67 135.00 122.83 2d1h n PRO 79 Ca -0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.17 2d1h n PRO 79 Cb 0.57 -1.17 0.01 0.00 -0.02 0.00 0.00 33.50 32.88 2d1h n PRO 79 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2d1h s LYS 80 N -0.38 3.28 -0.20 -0.52 -0.14 -1.26 -5.10 119.74 115.42 2d1h s LYS 80 Ca 0.00 -0.18 -0.03 0.00 -1.36 0.00 0.00 55.97 54.40 2d1h s LYS 80 Cb 0.00 -2.49 0.07 0.00 -1.68 0.00 0.00 37.83 33.73 2d1h s LYS 80 CO 0.00 -0.22 0.06 0.71 -0.76 0.00 0.00 175.35 175.14 2d1h s TYR 81 N -2.62 0.81 0.09 3.18 4.12 -1.26 -4.43 117.35 117.24 2d1h s TYR 81 Ca 0.47 -0.78 0.03 0.00 0.02 0.00 0.00 57.07 56.81 2d1h s TYR 81 Cb -0.10 -0.98 -0.04 0.00 -1.52 0.00 0.00 41.96 39.32 2d1h s TYR 81 CO 0.41 -0.62 0.11 0.71 0.02 0.00 0.00 175.55 176.17 2d1h s TYR 82 N 1.93 3.23 0.03 2.71 1.51 -0.42 -4.31 117.35 122.03 2d1h s TYR 82 Ca 0.01 0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 2d1h s TYR 82 Cb -0.17 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 2d1h s TYR 82 CO -0.11 0.53 -0.21 0.71 -1.11 0.00 0.00 175.55 175.35 2d1h s TYR 83 N -1.44 1.88 0.12 2.71 1.51 0.33 -0.18 117.35 122.28 2d1h s TYR 83 Ca 0.30 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 2d1h s TYR 83 Cb -0.12 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2d1h s TYR 83 CO 0.23 0.06 0.22 -1.54 -1.11 0.00 0.00 175.55 173.41 2d1h s SER 84 N -1.00 0.10 0.38 2.29 1.04 -0.26 -1.29 113.70 114.97 2d1h s SER 84 Ca 0.08 -0.76 -0.25 0.00 0.48 0.00 0.00 55.95 55.50 2d1h s SER 84 Cb -0.09 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 2d1h s SER 84 CO 0.01 -0.79 1.11 -0.63 0.98 0.00 0.00 173.24 173.92 2d1h s ILE 85 N -3.91 3.43 0.49 -1.02 -1.09 -1.26 0.13 121.20 117.97 2d1h s ILE 85 Ca 0.10 1.19 -0.23 0.00 -2.23 0.00 0.00 60.65 59.48 2d1h s ILE 85 Cb 0.04 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2d1h s ILE 85 CO -0.06 0.10 1.31 -0.44 -1.23 0.00 0.00 174.94 174.62 2d1h s SER 86 N -1.28 5.75 0.39 3.58 0.01 -0.14 -4.74 113.70 117.28 2d1h s SER 86 Ca 0.56 2.66 0.09 0.00 1.31 0.00 0.00 55.95 60.57 2d1h s SER 86 Cb -0.27 -2.63 0.86 0.00 0.21 0.00 0.00 66.02 64.18 2d1h s SER 86 CO 0.34 -1.23 1.98 -1.28 0.41 0.00 0.00 173.24 173.46 2d1h h SER 87 N 1.94 0.53 -0.83 2.44 0.87 -1.94 -2.40 113.55 114.16 2d1h h SER 87 Ca -0.50 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.52 2d1h h SER 87 Cb 1.27 -0.11 -0.30 0.00 -0.44 0.00 0.00 62.40 62.83 2d1h h SER 87 CO 0.59 0.34 0.27 -0.46 -0.53 0.00 0.00 176.83 177.05 2d1h n ASN 88 N -4.48 5.57 -0.36 6.23 2.04 -1.26 -4.74 115.26 118.27 2d1h n ASN 88 Ca 0.09 -3.76 -0.01 0.00 -0.44 0.00 0.00 54.58 50.46 2d1h n ASN 88 Cb 0.25 -0.75 0.12 0.00 -2.53 0.00 0.00 39.78 36.87 2d1h n ASN 88 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 2d1h h ILE 89 N 1.29 1.20 -0.02 1.53 2.10 -1.78 -1.18 117.51 120.65 2d1h h ILE 89 Ca 0.49 -0.43 -0.06 0.00 1.08 0.00 0.00 64.86 65.94 2d1h h ILE 89 Cb 1.43 -0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 2d1h h ILE 89 CO 1.12 0.23 -0.26 -0.07 -1.08 0.00 0.00 178.15 178.09 2d1h h LEU 90 N 1.26 0.03 0.00 2.19 3.38 -1.87 0.48 115.31 120.78 2d1h h LEU 90 Ca 0.37 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.09 2d1h h LEU 90 Cb -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2d1h h LEU 90 CO -0.10 0.29 -1.31 -0.33 0.09 0.00 0.00 178.44 177.08 2d1h h GLU 91 N 0.03 0.00 -0.16 1.13 4.39 -1.85 -2.80 114.58 115.32 2d1h h GLU 91 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2d1h h GLU 91 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2d1h h GLU 91 CO 0.03 0.74 -0.29 -0.22 -1.16 0.00 0.00 179.01 178.12 2d1h h LYS 92 N 0.00 0.48 -0.52 2.33 3.64 -0.84 -1.60 116.57 120.06 2d1h h LYS 92 Ca -0.14 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2d1h h LYS 92 Cb 1.86 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 2d1h h LYS 92 CO 0.10 0.90 -0.00 0.82 -2.27 0.00 0.00 179.45 179.00 2d1h h ILE 93 N 0.11 1.26 -0.20 2.00 2.04 -1.03 0.05 117.51 121.75 2d1h h ILE 93 Ca 0.01 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.81 2d1h h ILE 93 Cb 0.88 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2d1h h ILE 93 CO 0.07 0.39 -0.03 -0.09 0.00 0.00 0.00 178.15 178.49 2d1h h ARG 94 N 0.80 0.03 -0.33 2.37 2.43 -1.46 -0.61 114.38 117.61 2d1h h ARG 94 Ca 0.15 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 2d1h h ARG 94 Cb 0.53 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2d1h h ARG 94 CO 0.03 0.02 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.37 2d1h h ASN 95 N 0.03 0.64 -0.38 -3.80 2.35 -1.08 -1.79 115.58 111.55 2d1h h ASN 95 Ca 0.09 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2d1h h ASN 95 Cb 0.13 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2d1h h ASN 95 CO -0.18 0.86 -0.06 0.44 -1.65 0.00 0.00 177.43 176.83 2d1h h ASP 96 N 0.56 0.78 -0.33 5.81 3.32 -0.58 -1.44 116.42 124.53 2d1h h ASP 96 Ca 0.08 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 2d1h h ASP 96 Cb 0.68 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2d1h h ASP 96 CO 0.05 0.89 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.98 2d1h h LEU 97 N 0.74 0.94 -0.96 1.55 3.38 -0.89 -0.34 115.31 119.72 2d1h h LEU 97 Ca 0.13 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2d1h h LEU 97 Cb 0.54 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2d1h h LEU 97 CO 0.03 1.24 0.63 -0.07 0.09 0.00 0.00 178.44 180.36 2d1h h LEU 98 N 0.66 1.05 -0.75 1.67 3.38 -1.15 0.38 115.31 120.56 2d1h h LEU 98 Ca 0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2d1h h LEU 98 Cb 1.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2d1h h LEU 98 CO 0.10 0.73 -0.52 0.78 0.09 0.00 0.00 178.44 179.62 2d1h h ASN 99 N 1.23 0.30 -0.17 -0.43 2.35 -1.05 0.71 115.58 118.52 2d1h h ASN 99 Ca 0.38 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2d1h h ASN 99 Cb -0.02 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2d1h h ASN 99 CO -0.12 0.76 -0.01 0.00 -1.65 0.00 0.00 177.43 176.42 2d1h h ALA 101 N 0.76 1.45 -0.43 0.00 0.00 -0.03 -2.63 119.26 118.38 2d1h h ALA 101 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2d1h h ALA 101 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2d1h h ALA 101 CO 0.01 0.42 -0.09 -0.22 0.00 0.00 0.00 179.25 179.37 2d1h h LYS 102 N 0.62 0.82 -1.56 0.00 1.63 -0.49 -0.52 116.57 117.06 2d1h h LYS 102 Ca 0.15 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2d1h h LYS 102 Cb 0.17 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2d1h h LYS 102 CO -0.01 0.93 0.00 0.54 -3.45 0.00 0.00 179.45 177.46 2d1h n ARG 103 N -4.31 0.18 0.00 1.90 1.74 -0.29 -0.91 116.66 114.98 2d1h n ARG 103 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2d1h n ARG 103 Cb 0.36 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 2d1h n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2d1h n GLU 105 N 0.83 0.00 0.11 5.56 2.13 -0.21 -1.42 120.64 127.64 2d1h n GLU 105 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 2d1h n GLU 105 Cb 0.08 0.00 0.46 0.00 0.27 0.00 0.00 31.44 32.25 2d1h n GLU 105 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2d1h n LEU 106 N 0.00 0.57 0.04 4.31 4.32 -0.08 -1.74 117.00 124.42 2d1h n LEU 106 Ca 0.00 0.63 0.12 0.00 -0.02 0.00 0.00 56.01 56.74 2d1h n LEU 106 Cb 0.00 -0.54 0.18 0.00 -1.62 0.00 0.00 43.42 41.44 2d1h n LEU 106 CO 0.00 -0.47 0.35 0.00 -1.22 0.00 0.00 177.39 176.05 2d1h n ALA 107 N -1.73 3.07 1.39 -1.18 0.00 -0.51 -3.67 120.51 117.89 2d1h n ALA 107 Ca 0.03 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.33 2d1h n ALA 107 Cb 0.24 -1.15 0.59 0.00 0.00 0.00 0.00 19.45 19.13 2d1h n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d1h n ALA 108 N -1.76 2.78 0.52 0.00 0.00 -0.71 -5.23 120.51 116.11 2d1h n ALA 108 Ca 0.04 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.24 2d1h n ALA 108 Cb 0.42 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.79 2d1h n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91