#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1g s ASP 3 N 0.00 -0.06 0.27 7.28 1.47 -1.26 -5.04 116.67 119.33 1i1g s ASP 3 Ca 0.00 -0.56 -0.06 0.00 1.18 0.00 0.00 52.55 53.10 1i1g s ASP 3 Cb 0.00 0.43 0.49 0.00 -0.34 0.00 0.00 42.92 43.51 1i1g s ASP 3 CO 0.00 -0.84 1.58 -0.08 0.68 0.00 0.00 175.17 176.51 1i1g h GLU 4 N 2.51 0.02 -0.56 2.11 4.57 -2.05 0.68 114.58 121.86 1i1g h GLU 4 Ca -0.33 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.81 1i1g h GLU 4 Cb 1.23 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 1i1g h GLU 4 CO 0.49 0.01 0.17 0.00 -1.18 0.00 0.00 179.01 178.51 1i1g h ARG 5 N 0.02 0.84 0.50 1.92 3.08 -1.98 0.39 114.38 119.15 1i1g h ARG 5 Ca 0.47 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 1i1g h ARG 5 Cb 0.81 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1i1g h ARG 5 CO -0.89 0.72 -0.44 -0.44 -1.07 0.00 0.00 179.97 177.86 1i1g h ASP 6 N 0.81 -1.17 -0.77 7.04 3.32 -0.07 0.68 116.42 126.26 1i1g h ASP 6 Ca 0.19 0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.49 1i1g h ASP 6 Cb 0.24 0.38 -0.14 0.00 0.22 0.00 0.00 39.33 40.02 1i1g h ASP 6 CO -0.01 -0.60 -0.11 0.11 -1.72 0.00 0.00 179.24 176.92 1i1g h LYS 7 N -0.92 0.04 0.35 3.56 1.57 -0.74 1.34 116.57 121.77 1i1g h LYS 7 Ca -0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1i1g h LYS 7 Cb 0.78 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1i1g h LYS 7 CO -0.02 0.02 -0.23 0.82 -0.57 0.00 0.00 179.45 179.47 1i1g h ILE 8 N 0.04 0.51 -0.78 1.86 2.04 -0.46 0.82 117.51 121.54 1i1g h ILE 8 Ca 0.39 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.41 1i1g h ILE 8 Cb 0.66 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 1i1g h ILE 8 CO -0.75 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.12 1i1g h ILE 9 N -0.57 0.64 0.53 -0.67 2.04 0.30 0.40 117.51 120.19 1i1g h ILE 9 Ca -0.03 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1i1g h ILE 9 Cb 0.48 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1i1g h ILE 9 CO 0.03 0.08 -0.26 -0.07 0.00 0.00 0.00 178.15 177.93 1i1g h LEU 10 N 0.45 -0.60 -0.79 1.44 3.38 0.22 0.11 115.31 119.52 1i1g h LEU 10 Ca 0.44 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.52 1i1g h LEU 10 Cb 0.68 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 1i1g h LEU 10 CO -0.42 -0.38 -0.37 -0.33 0.09 0.00 0.00 178.44 177.03 1i1g h GLU 11 N -0.79 -0.08 -0.61 1.13 5.08 0.20 -0.49 114.58 119.02 1i1g h GLU 11 Ca -0.07 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1i1g h GLU 11 Cb 0.58 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1i1g h GLU 11 CO 0.12 -0.06 0.38 0.82 -1.00 0.00 0.00 179.01 179.27 1i1g h ILE 12 N -0.09 1.09 -0.37 3.13 2.04 0.32 -2.83 117.51 120.80 1i1g h ILE 12 Ca 0.28 -0.26 -0.16 0.00 1.00 0.00 0.00 64.86 65.73 1i1g h ILE 12 Cb 0.57 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1i1g h ILE 12 CO -0.83 0.14 -0.39 -0.07 0.00 0.00 0.00 178.15 177.00 1i1g h LEU 13 N 0.75 0.96 -1.66 1.44 3.38 0.11 -1.13 115.31 119.16 1i1g h LEU 13 Ca 0.24 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1i1g h LEU 13 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1i1g h LEU 13 CO -0.09 1.22 -0.09 -0.08 0.09 0.00 0.00 178.44 179.50 1i1g h GLU 14 N 0.73 0.10 0.34 1.13 4.22 -1.01 -2.31 114.58 117.80 1i1g h GLU 14 Ca 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.47 1i1g h GLU 14 Cb 0.97 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1i1g h GLU 14 CO 0.09 0.20 -0.17 0.87 -2.18 0.00 0.00 179.01 177.83 1i1g h LYS 15 N 0.10 -0.45 -3.53 1.92 1.79 -1.22 -3.43 116.57 111.76 1i1g h LYS 15 Ca 0.02 0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.93 1i1g h LYS 15 Cb 0.22 0.10 -0.40 0.00 -1.58 0.00 0.00 32.23 30.58 1i1g h LYS 15 CO 0.01 -0.30 -0.75 0.34 -1.08 0.00 0.00 179.45 177.68 1i1g s ASP 16 N -3.75 4.01 0.57 0.86 -1.08 -0.46 -5.03 116.67 111.79 1i1g s ASP 16 Ca -0.07 -1.93 0.36 0.00 -0.52 0.00 0.00 52.55 50.40 1i1g s ASP 16 Cb 0.01 -0.98 1.65 0.00 -1.46 0.00 0.00 42.92 42.14 1i1g s ASP 16 CO 0.20 -0.38 2.08 0.00 0.52 0.00 0.00 175.17 177.59 1i1g h ALA 17 N 7.71 1.00 -0.35 3.66 0.00 -1.64 0.77 119.26 130.41 1i1g h ALA 17 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1i1g h ALA 17 Cb 0.99 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1i1g h ALA 17 CO 0.48 0.00 0.05 0.54 0.00 0.00 0.00 179.25 180.31 1i1g n ARG 18 N -3.03 3.01 -1.81 0.00 1.74 -1.26 -4.95 116.66 110.36 1i1g n ARG 18 Ca -0.00 -1.76 -0.42 0.00 -0.77 0.00 0.00 57.85 54.89 1i1g n ARG 18 Cb 0.23 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 1i1g n ARG 18 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1i1g s THR 19 N -1.97 3.15 0.21 0.55 2.01 0.27 -4.91 115.64 114.95 1i1g s THR 19 Ca 0.31 0.29 -0.20 0.00 0.31 0.00 0.00 61.69 62.40 1i1g s THR 19 Cb 0.24 -3.19 -0.13 0.00 0.01 0.00 0.00 72.50 69.43 1i1g s THR 19 CO 0.09 -0.02 0.29 -2.65 -0.69 0.00 0.00 174.62 171.63 1i1g n PRO 20 N 7.04 0.00 0.02 4.92 -0.02 -1.26 -4.71 135.00 140.98 1i1g n PRO 20 Ca 0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1i1g n PRO 20 Cb 0.41 -0.78 0.11 0.00 -0.02 0.00 0.00 33.50 33.22 1i1g n PRO 20 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1i1g h PHE 21 N 0.59 0.57 0.14 6.00 0.05 -1.95 -1.63 116.94 120.72 1i1g h PHE 21 Ca -0.24 -0.18 0.02 0.00 3.82 0.00 0.00 57.97 61.38 1i1g h PHE 21 Cb 1.12 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 38.93 1i1g h PHE 21 CO 0.29 0.86 -0.25 1.15 -0.18 0.00 0.00 178.31 180.18 1i1g h THR 22 N 0.38 0.45 -0.25 -1.55 2.02 -1.91 1.85 112.91 113.90 1i1g h THR 22 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1i1g h THR 22 Cb 0.98 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1i1g h THR 22 CO 0.09 0.00 0.14 -0.33 0.37 0.00 0.00 175.52 175.78 1i1g h GLU 23 N -0.47 0.28 -0.72 6.66 5.08 -1.88 0.61 114.58 124.15 1i1g h GLU 23 Ca 0.02 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1i1g h GLU 23 Cb 0.48 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.54 1i1g h GLU 23 CO -0.13 0.18 -0.28 0.82 -1.00 0.00 0.00 179.01 178.61 1i1g h ILE 24 N 0.29 0.18 0.05 3.13 2.04 -0.55 -0.37 117.51 122.28 1i1g h ILE 24 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1i1g h ILE 24 Cb 0.01 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1i1g h ILE 24 CO -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.81 1i1g h ALA 25 N 1.39 -0.78 -0.30 1.87 0.00 0.69 0.14 119.26 122.26 1i1g h ALA 25 Ca 0.31 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1i1g h ALA 25 Cb 0.56 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1i1g h ALA 25 CO -0.77 -0.86 0.31 1.57 0.00 0.00 0.00 179.25 179.50 1i1g h LYS 26 N -0.39 0.00 0.11 0.00 -0.00 0.12 0.99 116.57 117.39 1i1g h LYS 26 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 1i1g h LYS 26 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.63 1i1g h LYS 26 CO -0.16 0.00 -0.05 -0.22 -0.00 0.00 0.00 179.45 179.02 1i1g h LYS 27 N 0.00 -0.14 0.00 0.07 3.64 0.56 -2.60 116.57 118.10 1i1g h LYS 27 Ca 0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1i1g h LYS 27 Cb 0.75 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1i1g h LYS 27 CO -0.00 0.35 0.00 -0.07 -2.27 0.00 0.00 179.45 177.46 1i1g h LEU 28 N -0.78 0.00 -2.34 5.20 3.38 0.03 -3.46 115.31 117.34 1i1g h LEU 28 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1i1g h LEU 28 Cb 0.56 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.37 1i1g h LEU 28 CO 0.02 0.00 -0.28 0.61 0.09 0.00 0.00 178.44 178.88 1i1g n GLY 29 N -0.41 0.18 3.29 0.83 0.00 0.33 -5.04 105.19 104.36 1i1g n GLY 29 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1i1g n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1g s ILE 30 N -3.13 0.04 0.59 -0.61 1.01 -0.61 -5.01 121.20 113.49 1i1g s ILE 30 Ca 0.08 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 1i1g s ILE 30 Cb -0.01 -0.67 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 1i1g s ILE 30 CO 0.26 -0.19 0.64 -1.20 0.00 0.00 0.00 174.94 174.44 1i1g n SER 31 N 1.37 -0.57 -0.27 3.58 7.64 -1.26 -4.26 113.62 119.85 1i1g n SER 31 Ca -0.20 0.74 0.18 0.00 1.01 0.00 0.00 58.87 60.59 1i1g n SER 31 Cb 0.56 -1.24 0.47 0.00 -1.01 0.00 0.00 64.21 63.00 1i1g n SER 31 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1i1g h GLU 32 N 0.24 0.48 0.00 1.43 5.08 -1.92 0.24 114.58 120.13 1i1g h GLU 32 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1i1g h GLU 32 Cb 1.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1i1g h GLU 32 CO 0.48 0.31 -0.29 0.25 -1.00 0.00 0.00 179.01 178.77 1i1g n THR 33 N -4.56 0.30 0.03 1.13 -2.24 -1.26 -0.84 114.28 106.83 1i1g n THR 33 Ca 0.20 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1i1g n THR 33 Cb 0.67 -0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.51 1i1g n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1g h ALA 34 N 2.70 0.08 0.37 6.98 0.00 -0.92 -1.99 119.26 126.48 1i1g h ALA 34 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1i1g h ALA 34 Cb 0.65 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1i1g h ALA 34 CO 0.00 0.51 -0.46 0.28 0.00 0.00 0.00 179.25 179.58 1i1g h VAL 35 N 0.11 0.00 -0.82 0.00 2.07 -1.02 0.20 116.25 116.80 1i1g h VAL 35 Ca -0.11 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.58 1i1g h VAL 35 Cb 1.53 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 1i1g h VAL 35 CO 0.16 0.00 0.34 0.03 0.02 0.00 0.00 177.57 178.13 1i1g h ARG 36 N -0.85 0.44 0.02 1.57 3.08 -1.03 0.52 114.38 118.13 1i1g h ARG 36 Ca -0.05 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1i1g h ARG 36 Cb 0.76 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1i1g h ARG 36 CO -0.10 0.29 -0.01 1.57 -1.07 0.00 0.00 179.97 180.65 1i1g h LYS 37 N 0.45 -0.03 -0.28 0.04 -0.00 -0.95 -2.71 116.57 113.09 1i1g h LYS 37 Ca 0.47 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 61.18 1i1g h LYS 37 Cb 0.77 0.01 -0.06 0.00 -0.00 0.00 0.00 32.23 32.94 1i1g h LYS 37 CO -0.44 0.36 -0.11 0.00 -0.00 0.00 0.00 179.45 179.25 1i1g h ARG 38 N -0.42 -0.06 -0.15 0.07 3.08 0.26 -1.07 114.38 116.09 1i1g h ARG 38 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1i1g h ARG 38 Cb 0.40 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 1i1g h ARG 38 CO 0.00 -0.04 -0.28 0.28 -1.07 0.00 0.00 179.97 178.87 1i1g h VAL 39 N -0.07 0.35 0.00 2.04 2.07 -0.13 -0.19 116.25 120.32 1i1g h VAL 39 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1i1g h VAL 39 Cb 0.28 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1i1g h VAL 39 CO -0.32 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.38 1i1g h LYS 40 N -0.34 0.00 0.02 1.57 6.56 -0.89 0.13 116.57 123.62 1i1g h LYS 40 Ca 0.11 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.45 1i1g h LYS 40 Cb 0.50 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.13 1i1g h LYS 40 CO -0.34 0.00 -1.23 0.00 -2.06 0.00 0.00 179.45 175.82 1i1g h ALA 41 N 2.13 0.41 -0.26 3.86 0.00 -0.61 0.16 119.26 124.95 1i1g h ALA 41 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 54.91 53.88 1i1g h ALA 41 Cb 0.42 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1i1g h ALA 41 CO 0.00 1.29 0.12 -0.07 0.00 0.00 0.00 179.25 180.59 1i1g h LEU 42 N 0.01 0.18 -0.18 0.00 3.38 0.90 0.56 115.31 120.16 1i1g h LEU 42 Ca -0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1i1g h LEU 42 Cb 1.87 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1i1g h LEU 42 CO 0.13 0.14 0.06 -0.33 0.09 0.00 0.00 178.44 178.53 1i1g h GLU 43 N 0.26 0.27 0.15 1.13 5.08 -0.85 -2.26 114.58 118.35 1i1g h GLU 43 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1i1g h GLU 43 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1i1g h GLU 43 CO -0.08 0.37 -0.32 0.93 -1.00 0.00 0.00 179.01 178.90 1i1g h GLU 44 N 0.12 -0.50 0.00 2.33 4.39 -0.04 -2.39 114.58 118.50 1i1g h GLU 44 Ca 0.06 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1i1g h GLU 44 Cb 0.20 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1i1g h GLU 44 CO -0.00 -0.33 0.00 1.63 -1.16 0.00 0.00 179.01 179.15 1i1g n LYS 45 N -4.29 0.15 -0.58 2.33 5.02 0.19 -4.79 118.16 116.18 1i1g n LYS 45 Ca -0.06 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1i1g n LYS 45 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1i1g n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i1g n GLY 46 N -0.65 0.89 0.20 0.72 0.00 -0.90 -4.92 105.19 100.53 1i1g n GLY 46 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1i1g n GLY 46 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i1g h ILE 47 N 0.00 0.00 -2.60 -0.61 2.04 -1.66 -3.25 117.51 111.43 1i1g h ILE 47 Ca 0.00 -0.08 -0.55 0.00 1.00 0.00 0.00 64.86 65.23 1i1g h ILE 47 Cb 0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 1i1g h ILE 47 CO 0.00 0.00 1.23 -0.63 0.00 0.00 0.00 178.15 178.75 1i1g s ILE 48 N -3.74 3.58 -0.83 -0.67 1.01 -1.06 -4.76 121.20 114.73 1i1g s ILE 48 Ca -0.07 0.51 0.24 0.00 0.00 0.00 0.00 60.65 61.34 1i1g s ILE 48 Cb 0.01 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1i1g s ILE 48 CO 0.21 -0.79 1.33 -1.84 0.00 0.00 0.00 174.94 173.85 1i1g n GLU 49 N 8.65 0.14 0.00 2.79 0.28 -1.23 -4.50 120.64 126.77 1i1g n GLU 49 Ca 0.19 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1i1g n GLU 49 Cb 0.49 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.79 1i1g n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i1g n GLY 50 N 1.43 1.09 3.67 -1.84 0.00 -1.26 -5.07 105.19 103.21 1i1g n GLY 50 Ca 0.04 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1i1g n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1g s TYR 51 N -2.00 3.34 0.06 1.61 1.51 -1.26 -5.10 117.35 115.51 1i1g s TYR 51 Ca 0.00 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 1i1g s TYR 51 Cb 0.00 -2.31 -0.00 0.00 -0.11 0.00 0.00 41.96 39.53 1i1g s TYR 51 CO 0.00 0.07 0.06 -2.37 -1.11 0.00 0.00 175.55 172.20 1i1g n THR 52 N 4.22 0.00 -5.22 -0.71 5.66 -1.26 -5.17 114.28 111.80 1i1g n THR 52 Ca -0.14 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.18 1i1g n THR 52 Cb 0.52 0.20 -0.16 0.00 -1.55 0.00 0.00 70.33 69.34 1i1g n THR 52 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1i1g s ILE 53 N -2.32 1.92 -0.24 1.09 -4.36 -1.26 -5.04 121.20 110.98 1i1g s ILE 53 Ca 0.06 -1.04 -0.28 0.00 -0.26 0.00 0.00 60.65 59.14 1i1g s ILE 53 Cb 0.00 -1.60 0.01 0.00 1.25 0.00 0.00 42.46 42.12 1i1g s ILE 53 CO 0.04 0.54 0.99 -0.75 0.24 0.00 0.00 174.94 176.01 1i1g s LYS 54 N -0.53 4.22 -0.08 0.37 2.20 -1.26 -5.03 119.74 119.63 1i1g s LYS 54 Ca 0.08 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.93 1i1g s LYS 54 Cb -0.10 -3.65 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1i1g s LYS 54 CO -0.00 -0.64 -0.11 0.42 -0.36 0.00 0.00 175.35 174.66 1i1g s ILE 55 N 3.16 3.30 -0.34 5.43 1.01 -1.26 -5.09 121.20 127.41 1i1g s ILE 55 Ca 0.42 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1i1g s ILE 55 Cb -0.15 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1i1g s ILE 55 CO 0.07 0.57 0.47 0.21 0.00 0.00 0.00 174.94 176.27 1i1g s ASN 56 N -0.43 6.29 0.25 3.58 2.47 -1.26 -4.93 114.94 120.90 1i1g s ASN 56 Ca 0.06 -0.01 -0.04 0.00 0.42 0.00 0.00 52.86 53.28 1i1g s ASN 56 Cb -0.12 -2.25 0.28 0.00 -1.45 0.00 0.00 41.25 37.71 1i1g s ASN 56 CO 0.02 -0.42 1.78 1.55 -3.72 0.00 0.00 177.10 176.32 1i1g h PRO 57 N 8.41 0.97 -0.84 0.43 0.13 -1.98 -3.11 132.00 136.02 1i1g h PRO 57 Ca -0.29 -0.21 0.12 0.00 -0.87 0.00 0.00 66.00 64.75 1i1g h PRO 57 Cb 1.13 -0.14 -0.08 0.00 0.13 0.00 0.00 31.00 32.04 1i1g h PRO 57 CO 0.74 0.86 0.46 0.87 -0.23 0.00 0.00 178.00 180.70 1i1g h LYS 58 N 0.93 0.71 0.00 0.86 6.56 -1.90 0.97 116.57 124.69 1i1g h LYS 58 Ca 0.20 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1i1g h LYS 58 Cb 0.32 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1i1g h LYS 58 CO -0.00 0.47 0.00 1.63 -2.06 0.00 0.00 179.45 179.49 1i1g n LYS 59 N -4.79 0.14 -0.11 3.15 5.02 -1.18 -3.24 118.16 117.16 1i1g n LYS 59 Ca 0.15 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1i1g n LYS 59 Cb 0.34 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.99 1i1g n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1i1g n LEU 60 N -1.43 2.79 0.00 -0.35 4.77 -0.17 -4.94 117.00 117.67 1i1g n LEU 60 Ca 0.09 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 1i1g n LEU 60 Cb 0.30 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1i1g n LEU 60 CO 0.25 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1i1g n GLY 61 N 0.94 0.49 3.44 -0.72 0.00 -0.92 -5.00 105.19 103.43 1i1g n GLY 61 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1i1g n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1g s TYR 62 N -2.21 3.22 -2.26 1.61 4.12 0.16 -4.41 117.35 117.58 1i1g s TYR 62 Ca 0.00 -1.54 0.27 0.00 0.02 0.00 0.00 57.07 55.82 1i1g s TYR 62 Cb 0.00 -4.26 0.85 0.00 -1.52 0.00 0.00 41.96 37.04 1i1g s TYR 62 CO 0.00 -1.44 1.63 -1.13 0.02 0.00 0.00 175.55 174.63 1i1g n SER 63 N 6.24 1.46 -3.77 2.29 3.41 -0.99 -3.10 113.62 119.15 1i1g n SER 63 Ca 0.25 -1.33 -0.29 0.00 -0.26 0.00 0.00 58.87 57.24 1i1g n SER 63 Cb 0.48 0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1i1g n SER 63 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i1g n LEU 64 N -0.03 3.54 -4.60 1.04 4.77 -0.87 -4.98 117.00 115.86 1i1g n LEU 64 Ca 0.16 -5.28 -0.43 0.00 -0.03 0.00 0.00 56.01 50.43 1i1g n LEU 64 Cb 0.37 -0.79 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1i1g n LEU 64 CO 0.20 1.83 1.17 -0.69 -1.33 0.00 0.00 177.39 178.58 1i1g s VAL 65 N -1.85 4.00 -0.18 4.08 1.01 -1.26 -3.06 120.40 123.14 1i1g s VAL 65 Ca 0.30 1.02 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 1i1g s VAL 65 Cb 0.02 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1i1g s VAL 65 CO -0.10 -0.82 0.02 -0.89 0.00 0.00 0.00 175.10 173.31 1i1g s THR 66 N 5.12 4.32 -0.71 3.92 2.01 0.03 -1.43 115.64 128.90 1i1g s THR 66 Ca 0.57 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1i1g s THR 66 Cb -0.12 -2.94 0.08 0.00 0.01 0.00 0.00 72.50 69.54 1i1g s THR 66 CO 0.32 0.46 0.99 -0.63 -0.69 0.00 0.00 174.62 175.06 1i1g s ILE 67 N 0.55 4.42 -0.35 1.82 1.01 -0.47 0.11 121.20 128.30 1i1g s ILE 67 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1i1g s ILE 67 Cb -0.14 -4.70 -0.01 0.00 0.01 0.00 0.00 42.46 37.62 1i1g s ILE 67 CO 0.02 -1.46 0.28 -0.89 0.00 0.00 0.00 174.94 172.89 1i1g s THR 68 N 3.74 5.25 0.35 2.92 2.01 0.32 -1.71 115.64 128.53 1i1g s THR 68 Ca 0.24 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 1i1g s THR 68 Cb -0.15 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1i1g s THR 68 CO 0.06 -0.06 0.92 -0.83 -0.69 0.00 0.00 174.62 174.02 1i1g s GLY 69 N 1.73 2.62 -0.16 4.40 0.00 0.09 -0.14 107.32 115.84 1i1g s GLY 69 Ca 0.08 0.43 -0.02 0.00 0.00 0.00 0.00 44.72 45.21 1i1g s GLY 69 CO 0.11 0.80 -0.00 0.14 0.00 0.00 0.00 173.10 174.14 1i1g s VAL 70 N -1.83 0.72 0.55 1.40 1.01 0.38 -1.86 120.40 120.78 1i1g s VAL 70 Ca 0.54 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1i1g s VAL 70 Cb -0.15 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1i1g s VAL 70 CO 0.19 -0.01 0.95 -0.62 0.00 0.00 0.00 175.10 175.62 1i1g s ASP 71 N 1.79 6.34 0.14 3.32 3.68 0.12 -2.07 116.67 130.00 1i1g s ASP 71 Ca 0.01 1.32 -0.24 0.00 2.13 0.00 0.00 52.55 55.77 1i1g s ASP 71 Cb -0.16 -2.42 0.07 0.00 -1.45 0.00 0.00 42.92 38.96 1i1g s ASP 71 CO -0.07 -0.71 0.71 0.28 0.13 0.00 0.00 175.17 175.51 1i1g s THR 72 N -2.91 0.00 0.15 1.71 -1.32 -1.26 -2.47 115.64 109.55 1i1g s THR 72 Ca 0.54 -0.22 -0.31 0.00 -1.21 0.00 0.00 61.69 60.49 1i1g s THR 72 Cb -0.11 -1.24 -0.09 0.00 -1.51 0.00 0.00 72.50 69.55 1i1g s THR 72 CO 0.46 0.00 1.45 -0.54 -2.21 0.00 0.00 174.62 173.78 1i1g s LYS 73 N -3.61 4.28 0.45 7.08 -0.14 0.14 -4.74 119.74 123.20 1i1g s LYS 73 Ca 0.04 2.20 0.23 0.00 -1.36 0.00 0.00 55.97 57.09 1i1g s LYS 73 Cb -0.02 -3.19 1.22 0.00 -1.68 0.00 0.00 37.83 34.16 1i1g s LYS 73 CO -0.08 -0.48 1.82 -1.35 -0.76 0.00 0.00 175.35 174.50 1i1g h PRO 74 N 6.50 0.27 0.08 -1.68 0.11 -1.99 0.31 132.00 135.60 1i1g h PRO 74 Ca -0.43 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1i1g h PRO 74 Cb 1.21 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1i1g h PRO 74 CO 0.87 0.18 -0.24 0.93 -0.21 0.00 0.00 178.00 179.53 1i1g h GLU 75 N 0.28 -0.40 -0.93 1.05 3.07 -1.98 -3.28 114.58 112.40 1i1g h GLU 75 Ca 0.52 0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 59.26 1i1g h GLU 75 Cb 1.54 0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 29.45 1i1g h GLU 75 CO -0.17 -0.27 0.20 1.63 -1.40 0.00 0.00 179.01 179.00 1i1g n LYS 76 N -5.36 2.07 -0.24 2.33 5.02 0.09 -4.55 118.16 117.53 1i1g n LYS 76 Ca -0.06 -1.47 -0.06 0.00 -2.02 0.00 0.00 58.31 54.70 1i1g n LYS 76 Cb 0.27 -1.68 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1i1g n LYS 76 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1i1g h LEU 77 N 1.34 0.85 -0.50 -0.35 5.85 -1.61 -1.95 115.31 118.94 1i1g h LEU 77 Ca 0.19 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1i1g h LEU 77 Cb 1.65 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1i1g h LEU 77 CO 0.42 0.73 -0.05 -0.26 -0.34 0.00 0.00 178.44 178.95 1i1g h PHE 78 N 0.91 0.00 0.34 1.25 -1.00 -1.90 -1.92 116.94 114.62 1i1g h PHE 78 Ca 0.23 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.99 1i1g h PHE 78 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1i1g h PHE 78 CO 0.00 0.05 -0.16 0.93 -1.61 0.00 0.00 178.31 177.51 1i1g h GLU 79 N 0.00 -0.44 -0.82 1.51 3.07 -1.79 -2.79 114.58 113.32 1i1g h GLU 79 Ca -0.00 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.04 1i1g h GLU 79 Cb 0.87 0.10 -0.10 0.00 -0.84 0.00 0.00 28.75 28.78 1i1g h GLU 79 CO 0.01 -0.27 0.39 0.28 -1.40 0.00 0.00 179.01 178.02 1i1g h VAL 80 N -1.11 0.69 0.34 3.13 2.07 -1.46 0.68 116.25 120.60 1i1g h VAL 80 Ca -0.05 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1i1g h VAL 80 Cb 0.38 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1i1g h VAL 80 CO 0.08 0.10 -0.41 0.00 0.02 0.00 0.00 177.57 177.35 1i1g h ALA 81 N 1.56 -1.04 -0.96 1.67 0.00 -1.39 -0.51 119.26 118.59 1i1g h ALA 81 Ca 0.45 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.49 1i1g h ALA 81 Cb 0.67 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1i1g h ALA 81 CO -0.39 -1.08 0.68 0.93 0.00 0.00 0.00 179.25 179.39 1i1g h GLU 82 N -0.77 0.06 0.01 0.00 5.08 -0.66 0.96 114.58 119.25 1i1g h GLU 82 Ca -0.04 -0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1i1g h GLU 82 Cb 0.69 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1i1g h GLU 82 CO -0.09 0.04 -0.99 0.87 -1.00 0.00 0.00 179.01 177.85 1i1g h LYS 83 N 0.07 0.01 -0.51 2.33 1.57 -0.42 -3.22 116.57 116.40 1i1g h LYS 83 Ca 0.47 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1i1g h LYS 83 Cb 1.75 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.05 1i1g h LYS 83 CO -0.04 0.99 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.65 1i1g h LEU 84 N 0.00 0.94 -0.96 2.94 3.38 0.25 -3.09 115.31 118.77 1i1g h LEU 84 Ca -0.01 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 1i1g h LEU 84 Cb 1.74 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1i1g h LEU 84 CO 0.13 1.05 -0.47 0.07 0.09 0.00 0.00 178.44 179.32 1i1g h LYS 85 N 0.84 0.00 -0.73 1.13 2.10 -1.24 -3.13 116.57 115.54 1i1g h LYS 85 Ca 0.13 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.92 1i1g h LYS 85 Cb 0.65 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.89 1i1g h LYS 85 CO 0.04 0.47 0.30 0.93 -2.00 0.00 0.00 179.45 179.19 1i1g h GLU 86 N 0.00 0.44 -6.98 0.07 4.39 -1.55 -3.43 114.58 107.52 1i1g h GLU 86 Ca -0.00 -0.03 -0.54 0.00 0.34 0.00 0.00 59.36 59.13 1i1g h GLU 86 Cb 0.92 -0.10 0.11 0.00 -0.10 0.00 0.00 28.75 29.58 1i1g h GLU 86 CO 0.06 0.29 0.71 0.71 -1.16 0.00 0.00 179.01 179.62 1i1g s TYR 87 N -6.03 2.51 0.17 4.33 1.51 -1.18 -4.98 117.35 113.68 1i1g s TYR 87 Ca -0.12 1.25 0.05 0.00 -1.01 0.00 0.00 57.07 57.24 1i1g s TYR 87 Cb 0.20 -3.92 0.01 0.00 -0.11 0.00 0.00 41.96 38.14 1i1g s TYR 87 CO 0.76 -2.89 1.40 -0.44 -1.11 0.00 0.00 175.55 173.27 1i1g h ASP 88 N 2.49 0.13 0.38 2.29 3.32 -1.88 -2.98 116.42 120.17 1i1g h ASP 88 Ca -0.51 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1i1g h ASP 88 Cb 1.26 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1i1g h ASP 88 CO 0.62 0.93 -0.17 2.19 -1.72 0.00 0.00 179.24 181.08 1i1g h PHE 89 N 0.05 0.00 -2.35 4.55 -5.15 -1.94 -3.36 116.94 108.75 1i1g h PHE 89 Ca -0.03 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.21 1i1g h PHE 89 Cb 1.50 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.61 1i1g h PHE 89 CO 0.02 0.17 1.18 0.08 -2.00 0.00 0.00 178.31 177.76 1i1g s VAL 90 N -4.21 3.60 0.02 0.88 1.01 -1.13 -2.42 120.40 118.16 1i1g s VAL 90 Ca -0.03 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 1i1g s VAL 90 Cb 0.13 -4.41 -0.34 0.00 0.00 0.00 0.00 36.38 31.76 1i1g s VAL 90 CO 0.63 -1.30 0.97 0.11 0.00 0.00 0.00 175.10 175.50 1i1g h LYS 91 N 12.14 0.48 -3.86 2.72 1.79 -0.88 -3.47 116.57 125.49 1i1g h LYS 91 Ca -0.27 -0.83 -0.17 0.00 -2.18 0.00 0.00 60.65 57.20 1i1g h LYS 91 Cb 1.10 0.31 -0.22 0.00 -1.58 0.00 0.00 32.23 31.84 1i1g h LYS 91 CO 1.23 1.39 -0.67 -1.83 -1.08 0.00 0.00 179.45 178.49 1i1g s GLU 92 N -2.61 0.29 -0.04 3.15 -1.05 -1.21 -4.99 118.70 112.25 1i1g s GLU 92 Ca -0.09 -0.48 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1i1g s GLU 92 Cb 0.05 0.11 0.03 0.00 -0.44 0.00 0.00 34.13 33.87 1i1g s GLU 92 CO 0.93 -0.05 0.02 -1.17 0.95 0.00 0.00 175.26 175.94 1i1g s LEU 93 N -1.22 0.72 0.16 1.83 2.96 -1.26 -2.33 118.68 119.55 1i1g s LEU 93 Ca -0.13 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1i1g s LEU 93 Cb -0.08 -0.22 -0.04 0.00 0.50 0.00 0.00 46.19 46.34 1i1g s LEU 93 CO -0.00 -0.17 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.37 1i1g s TYR 94 N 1.57 1.75 -0.42 5.38 1.51 0.52 -4.95 117.35 122.71 1i1g s TYR 94 Ca -0.02 -0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 1i1g s TYR 94 Cb -0.13 -0.87 0.06 0.00 -0.11 0.00 0.00 41.96 40.91 1i1g s TYR 94 CO -0.03 0.31 0.28 -0.51 -1.11 0.00 0.00 175.55 174.49 1i1g s LEU 95 N -2.71 5.13 0.20 -1.29 1.43 -1.26 0.07 118.68 120.26 1i1g s LEU 95 Ca 0.15 -1.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 1i1g s LEU 95 Cb -0.05 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1i1g s LEU 95 CO 0.06 -0.51 -0.16 -0.94 0.23 0.00 0.00 176.35 175.03 1i1g s SER 96 N 2.03 2.69 0.00 2.29 1.04 0.16 -4.96 113.70 116.94 1i1g s SER 96 Ca 0.03 -0.98 0.30 0.00 0.48 0.00 0.00 55.95 55.78 1i1g s SER 96 Cb -0.22 -0.16 1.47 0.00 0.10 0.00 0.00 66.02 67.22 1i1g s SER 96 CO 0.05 -0.12 2.02 -1.54 0.98 0.00 0.00 173.24 174.64 1i1g n SER 97 N -0.23 0.07 -3.55 7.02 3.41 -1.26 -3.97 113.62 115.10 1i1g n SER 97 Ca -0.09 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1i1g n SER 97 Cb 0.59 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1i1g n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1g n GLY 98 N 1.29 -2.90 0.30 5.00 0.00 -1.26 -4.82 105.19 102.80 1i1g n GLY 98 Ca 0.14 -1.30 0.20 0.00 0.00 0.00 0.00 46.02 45.07 1i1g n GLY 98 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i1g h ASP 99 N -0.33 0.00 -3.61 1.61 3.32 -2.01 -3.39 116.42 112.01 1i1g h ASP 99 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 1i1g h ASP 99 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 1i1g h ASP 99 CO 0.00 0.00 -0.76 -1.00 -1.72 0.00 0.00 179.24 175.76 1i1g s HIS 100 N -3.99 0.60 0.10 4.55 3.76 -1.26 -5.02 115.29 114.02 1i1g s HIS 100 Ca -0.04 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 1i1g s HIS 100 Cb 0.11 -0.52 -0.07 0.00 1.11 0.00 0.00 32.58 33.22 1i1g s HIS 100 CO 0.36 -0.12 1.49 0.52 -0.85 0.00 0.00 174.74 176.15 1i1g h MET 101 N 6.82 0.57 -5.48 1.40 2.86 -1.70 -3.40 114.93 116.00 1i1g h MET 101 Ca -0.36 -0.22 -0.60 0.00 -2.06 0.00 0.00 59.70 56.46 1i1g h MET 101 Cb 1.16 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.68 1i1g h MET 101 CO 0.48 0.77 -0.08 0.42 1.06 0.00 0.00 176.91 179.56 1i1g s ILE 102 N -4.78 5.13 -0.15 -1.22 1.01 -0.88 0.36 121.20 120.66 1i1g s ILE 102 Ca -0.13 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.41 1i1g s ILE 102 Cb 0.08 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1i1g s ILE 102 CO 0.78 0.18 -0.20 -0.32 0.00 0.00 0.00 174.94 175.39 1i1g s MET 103 N 1.64 2.84 0.09 2.79 1.75 0.11 0.15 119.30 128.67 1i1g s MET 103 Ca 0.22 -0.78 0.09 0.00 -1.25 0.00 0.00 55.69 53.98 1i1g s MET 103 Cb -0.15 -2.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.09 1i1g s MET 103 CO 0.09 -0.12 -0.24 0.00 -0.65 0.00 0.00 175.02 174.10 1i1g s ALA 104 N 1.10 2.07 -0.45 4.11 0.00 0.80 0.20 121.76 129.57 1i1g s ALA 104 Ca -0.01 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.52 1i1g s ALA 104 Cb -0.14 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.71 1i1g s ALA 104 CO -0.07 0.45 0.35 0.08 0.00 0.00 0.00 175.76 176.57 1i1g s VAL 105 N -1.01 4.86 -0.06 0.00 1.01 -0.99 0.12 120.40 124.33 1i1g s VAL 105 Ca 0.10 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 1i1g s VAL 105 Cb -0.10 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1i1g s VAL 105 CO 0.04 -0.56 0.07 -0.63 0.00 0.00 0.00 175.10 174.02 1i1g s ILE 106 N 1.56 4.81 -0.45 2.22 1.01 0.30 -0.39 121.20 130.26 1i1g s ILE 106 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1i1g s ILE 106 Cb -0.24 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.23 1i1g s ILE 106 CO 0.05 0.51 0.30 0.26 0.00 0.00 0.00 174.94 176.05 1i1g s TRP 107 N -1.05 3.47 0.24 3.97 0.52 -1.01 -0.79 118.94 124.29 1i1g s TRP 107 Ca 0.18 -2.02 0.07 0.00 0.02 0.00 0.00 56.10 54.35 1i1g s TRP 107 Cb -0.12 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.78 1i1g s TRP 107 CO 0.08 -0.98 0.14 0.00 0.02 0.00 0.00 176.95 176.21 1i1g s ALA 108 N 1.30 3.49 0.04 0.98 0.00 -1.17 -4.86 121.76 121.53 1i1g s ALA 108 Ca 0.06 -1.43 -0.26 0.00 0.00 0.00 0.00 51.96 50.33 1i1g s ALA 108 Cb -0.25 -1.20 -0.17 0.00 0.00 0.00 0.00 23.12 21.50 1i1g s ALA 108 CO -0.02 0.30 1.44 0.87 0.00 0.00 0.00 175.76 178.35 1i1g h LYS 109 N 1.73 -0.28 0.00 0.00 1.57 -1.89 -2.31 116.57 115.39 1i1g h LYS 109 Ca -0.48 0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.07 1i1g h LYS 109 Cb 1.23 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.55 1i1g h LYS 109 CO 0.61 -0.03 -0.12 -0.40 -0.57 0.00 0.00 179.45 178.94 1i1g n ASP 110 N -5.12 -1.30 -0.20 0.86 3.85 -1.26 -2.34 116.55 111.05 1i1g n ASP 110 Ca -0.09 -2.74 0.00 0.00 -0.71 0.00 0.00 54.79 51.25 1i1g n ASP 110 Cb 0.21 2.40 0.09 0.00 -1.35 0.00 0.00 41.12 42.47 1i1g n ASP 110 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1i1g h GLY 111 N 1.83 0.59 0.72 6.12 0.00 -1.99 0.75 103.07 111.09 1i1g h GLY 111 Ca -0.25 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.21 1i1g h GLY 111 CO 0.34 -0.20 0.07 1.05 0.00 0.00 0.00 176.54 177.80 1i1g h GLU 112 N 0.09 0.17 -0.28 4.80 4.11 -1.98 0.61 114.58 122.10 1i1g h GLU 112 Ca 0.31 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 1i1g h GLU 112 Cb 0.49 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1i1g h GLU 112 CO -0.53 0.11 0.15 0.22 0.07 0.00 0.00 179.01 179.03 1i1g h ASP 113 N 0.17 0.35 -0.44 3.06 3.58 -1.83 0.54 116.42 121.86 1i1g h ASP 113 Ca 0.12 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.52 1i1g h ASP 113 Cb 0.12 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1i1g h ASP 113 CO -0.15 0.35 0.18 0.25 -2.88 0.00 0.00 179.24 176.99 1i1g h LEU 114 N 0.33 0.23 -0.66 2.28 6.46 -0.32 0.33 115.31 123.96 1i1g h LEU 114 Ca 0.10 0.04 0.10 0.00 -0.12 0.00 0.00 57.88 58.00 1i1g h LEU 114 Cb 0.08 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.94 1i1g h LEU 114 CO -0.01 0.17 0.26 0.00 -0.62 0.00 0.00 178.44 178.23 1i1g h ALA 115 N 1.27 0.87 0.05 1.25 0.00 0.80 -2.08 119.26 121.43 1i1g h ALA 115 Ca 0.20 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1i1g h ALA 115 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1i1g h ALA 115 CO -0.18 -0.17 -0.03 1.49 0.00 0.00 0.00 179.25 180.36 1i1g h GLU 116 N 0.45 -0.07 0.03 0.00 4.81 0.36 -2.09 114.58 118.07 1i1g h GLU 116 Ca 0.34 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1i1g h GLU 116 Cb 0.43 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1i1g h GLU 116 CO -0.32 0.28 -0.20 0.82 -0.73 0.00 0.00 179.01 178.85 1i1g h ILE 117 N -0.42 0.52 -0.12 2.32 2.04 -0.42 0.47 117.51 121.90 1i1g h ILE 117 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1i1g h ILE 117 Cb 0.38 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1i1g h ILE 117 CO 0.01 0.00 -0.26 0.40 0.00 0.00 0.00 178.15 178.30 1i1g h ILE 118 N -0.34 0.00 0.62 -0.67 2.04 -1.47 0.25 117.51 117.95 1i1g h ILE 118 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1i1g h ILE 118 Cb 0.40 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1i1g h ILE 118 CO -0.17 0.00 -0.30 0.77 0.00 0.00 0.00 178.15 178.45 1i1g h SER 119 N -0.24 -0.71 0.15 1.72 4.64 -1.15 0.66 113.55 118.62 1i1g h SER 119 Ca 0.02 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1i1g h SER 119 Cb 0.30 0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1i1g h SER 119 CO -0.24 -0.36 -0.90 0.78 -0.87 0.00 0.00 176.83 175.24 1i1g h ASN 120 N -1.08 0.53 0.00 4.97 2.35 -0.11 -3.34 115.58 118.91 1i1g h ASN 120 Ca -0.09 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.73 1i1g h ASN 120 Cb 0.69 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1i1g h ASN 120 CO 0.14 1.43 -0.61 0.29 -1.65 0.00 0.00 177.43 177.03 1i1g n LYS 121 N -4.07 0.39 0.28 0.81 5.02 0.58 -4.22 118.16 116.94 1i1g n LYS 121 Ca -0.14 0.31 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 1i1g n LYS 121 Cb 0.86 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 34.43 1i1g n LYS 121 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1i1g h ILE 122 N -0.79 0.00 -1.00 -0.18 2.04 -0.73 -3.24 117.51 113.61 1i1g h ILE 122 Ca 0.00 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.14 1i1g h ILE 122 Cb 0.61 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.50 1i1g h ILE 122 CO 0.00 0.00 0.03 0.61 0.00 0.00 0.00 178.15 178.79 1i1g n GLY 123 N -1.47 -1.35 0.05 5.37 0.00 0.23 0.11 105.19 108.14 1i1g n GLY 123 Ca -0.10 0.98 0.12 0.00 0.00 0.00 0.00 46.02 47.01 1i1g n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i1g n LYS 124 N -5.49 0.10 -1.70 1.61 4.76 -1.22 -4.72 118.16 111.50 1i1g n LYS 124 Ca 0.24 0.20 -0.43 0.00 -2.87 0.00 0.00 58.31 55.45 1i1g n LYS 124 Cb 0.78 -1.65 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 1i1g n LYS 124 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1i1g n ILE 125 N -1.83 1.59 -2.57 -0.18 5.41 0.12 -4.89 119.36 117.01 1i1g n ILE 125 Ca 0.05 -0.40 -0.42 0.00 1.00 0.00 0.00 62.75 62.98 1i1g n ILE 125 Cb 0.29 -1.61 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 1i1g n ILE 125 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1i1g s GLU 126 N -1.32 4.47 0.00 0.38 4.04 -1.26 -3.32 118.70 121.68 1i1g s GLU 126 Ca 0.60 1.58 0.00 0.00 0.04 0.00 0.00 54.97 57.18 1i1g s GLU 126 Cb -0.58 -3.44 0.00 0.00 0.02 0.00 0.00 34.13 30.13 1i1g s GLU 126 CO 0.57 -0.21 0.00 0.41 -1.84 0.00 0.00 175.26 174.19 1i1g n GLY 127 N 3.10 1.89 3.62 -3.83 0.00 -1.26 -4.65 105.19 104.06 1i1g n GLY 127 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1i1g n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1g s VAL 128 N -2.24 3.60 -0.11 1.61 1.01 -1.21 0.25 120.40 123.32 1i1g s VAL 128 Ca 0.00 0.66 0.20 0.00 0.00 0.00 0.00 61.98 62.85 1i1g s VAL 128 Cb 0.00 -3.65 -0.30 0.00 0.00 0.00 0.00 36.38 32.43 1i1g s VAL 128 CO 0.00 -0.30 0.30 0.35 0.00 0.00 0.00 175.10 175.44 1i1g n THR 129 N 6.64 0.62 -3.64 3.92 -2.24 -1.03 -4.89 114.28 113.66 1i1g n THR 129 Ca 0.20 -0.66 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 1i1g n THR 129 Cb 0.45 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 1i1g n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1i1g s LYS 130 N -3.06 0.56 -0.15 -0.78 2.20 -1.05 -4.93 119.74 112.53 1i1g s LYS 130 Ca -0.09 0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 56.20 1i1g s LYS 130 Cb 0.10 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 1i1g s LYS 130 CO 0.87 -0.08 0.07 0.08 -0.36 0.00 0.00 175.35 175.93 1i1g s VAL 131 N 0.61 4.88 -0.39 4.02 1.01 -1.26 0.16 120.40 129.43 1i1g s VAL 131 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1i1g s VAL 131 Cb -0.05 -3.15 0.13 0.00 0.00 0.00 0.00 36.38 33.31 1i1g s VAL 131 CO -0.08 0.53 0.19 0.00 0.00 0.00 0.00 175.10 175.75 1i1g s PRO 133 N 0.80 4.34 -0.27 0.00 0.04 -1.26 -0.74 135.00 137.92 1i1g s PRO 133 Ca 0.15 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 1i1g s PRO 133 Cb -0.22 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 30.92 1i1g s PRO 133 CO -0.06 0.17 -0.03 0.00 0.04 0.00 0.00 177.00 177.11 1i1g s ALA 134 N 0.57 2.76 0.11 8.56 0.00 -0.69 -4.98 121.76 128.09 1i1g s ALA 134 Ca 0.28 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 1i1g s ALA 134 Cb -0.16 -1.80 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 1i1g s ALA 134 CO 0.12 -0.97 1.10 0.42 0.00 0.00 0.00 175.76 176.43 1i1g s ILE 135 N 1.31 4.11 0.03 0.00 1.01 -1.26 -1.36 121.20 125.04 1i1g s ILE 135 Ca -0.01 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1i1g s ILE 135 Cb -0.18 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1i1g s ILE 135 CO -0.03 0.21 0.99 -0.63 0.00 0.00 0.00 174.94 175.49 1i1g s ILE 136 N 0.35 4.73 -0.20 2.92 1.01 -0.52 -4.96 121.20 124.54 1i1g s ILE 136 Ca 0.52 2.02 -0.21 0.00 0.00 0.00 0.00 60.65 62.98 1i1g s ILE 136 Cb -0.28 -4.29 -0.20 0.00 0.01 0.00 0.00 42.46 37.70 1i1g s ILE 136 CO 0.32 0.19 0.25 -0.07 0.00 0.00 0.00 174.94 175.63 1i1g h LEU 137 N 6.53 0.02 -8.13 2.97 3.38 -1.95 -3.42 115.31 114.70 1i1g h LEU 137 Ca -0.41 -0.55 -0.22 0.00 0.09 0.00 0.00 57.88 56.79 1i1g h LEU 137 Cb 1.22 -0.01 -0.20 0.00 0.09 0.00 0.00 40.66 41.76 1i1g h LEU 137 CO 0.75 1.48 -0.71 -1.61 0.09 0.00 0.00 178.44 178.44 1i1g s GLU 138 N -2.36 0.48 -0.23 1.13 2.02 -1.26 -5.11 118.70 113.37 1i1g s GLU 138 Ca -0.28 -0.78 -0.09 0.00 0.02 0.00 0.00 54.97 53.83 1i1g s GLU 138 Cb 0.05 -0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.13 1i1g s GLU 138 CO 0.60 -0.00 0.13 0.21 0.02 0.00 0.00 175.26 176.22 1i1g s LYS 139 N -1.88 4.01 0.00 1.61 2.20 -1.26 -5.01 119.74 119.42 1i1g s LYS 139 Ca -0.09 -0.31 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 1i1g s LYS 139 Cb -0.08 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1i1g s LYS 139 CO -0.01 0.10 0.33 1.28 -0.36 0.00 0.00 175.35 176.69 1i1g n LEU 140 N 4.14 0.51 0.00 5.43 4.77 -1.26 -5.30 117.00 125.29 1i1g n LEU 140 Ca -0.16 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1i1g n LEU 140 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i1g n LEU 140 CO 0.35 0.12 0.00 1.17 -1.33 0.00 0.00 177.39 177.69