#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1di0 s PHE 13 N 0.00 -0.17 0.09 0.66 -0.12 -1.01 -5.00 117.98 112.43 1di0 s PHE 13 Ca 0.00 0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.92 1di0 s PHE 13 Cb 0.00 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1di0 s PHE 13 CO 0.00 -0.47 0.20 0.15 -0.05 0.00 0.00 175.22 175.05 1di0 s LYS 14 N -2.83 3.31 -0.08 1.99 1.02 -1.26 -2.69 119.74 119.19 1di0 s LYS 14 Ca 0.10 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.56 1di0 s LYS 14 Cb 0.00 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1di0 s LYS 14 CO -0.04 0.57 -0.14 0.42 -0.92 0.00 0.00 175.35 175.24 1di0 s ILE 15 N -1.56 1.35 -0.17 2.17 1.01 -0.84 -1.07 121.20 122.09 1di0 s ILE 15 Ca 0.34 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1di0 s ILE 15 Cb -0.12 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1di0 s ILE 15 CO 0.27 0.41 0.37 0.00 0.00 0.00 0.00 174.94 175.98 1di0 s ALA 16 N 0.76 3.55 -0.31 9.38 0.00 -0.92 -1.46 121.76 132.76 1di0 s ALA 16 Ca -0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1di0 s ALA 16 Cb -0.16 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.48 1di0 s ALA 16 CO 0.03 -0.10 0.01 0.12 0.00 0.00 0.00 175.76 175.81 1di0 s PHE 17 N 0.88 3.31 -0.37 0.00 5.36 -0.33 -0.48 117.98 126.34 1di0 s PHE 17 Ca 0.19 -1.98 -0.17 0.00 -0.96 0.00 0.00 56.93 54.01 1di0 s PHE 17 Cb -0.14 -2.21 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 1di0 s PHE 17 CO 0.07 -0.83 0.45 0.42 -1.46 0.00 0.00 175.22 173.87 1di0 s ILE 18 N 1.22 5.08 -0.08 3.12 1.01 0.10 0.32 121.20 131.97 1di0 s ILE 18 Ca -0.04 0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1di0 s ILE 18 Cb -0.20 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1di0 s ILE 18 CO -0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 174.94 174.47 1di0 s GLN 19 N 2.22 2.57 0.45 2.79 -2.07 -0.01 -0.75 119.66 124.86 1di0 s GLN 19 Ca 0.15 -0.76 -0.22 0.00 -1.82 0.00 0.00 55.36 52.71 1di0 s GLN 19 Cb -0.16 -2.02 -0.09 0.00 -1.09 0.00 0.00 33.01 29.65 1di0 s GLN 19 CO 0.13 0.19 1.04 0.00 -1.32 0.00 0.00 175.29 175.33 1di0 s ALA 20 N 0.29 2.95 -0.54 2.60 0.00 -0.72 -2.33 121.76 124.01 1di0 s ALA 20 Ca -0.14 0.63 0.23 0.00 0.00 0.00 0.00 51.96 52.68 1di0 s ALA 20 Cb -0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1di0 s ALA 20 CO 0.06 -0.26 0.94 0.54 0.00 0.00 0.00 175.76 177.05 1di0 n ARG 21 N -0.65 0.33 -1.92 0.00 5.12 0.03 -4.60 116.66 114.97 1di0 n ARG 21 Ca 0.08 -0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.56 1di0 n ARG 21 Cb 0.52 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 1di0 n ARG 21 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1di0 s TRP 22 N -3.23 2.85 -1.29 -1.55 -0.00 -1.16 -1.23 118.94 113.32 1di0 s TRP 22 Ca 0.02 0.51 -0.03 0.00 -0.00 0.00 0.00 56.10 56.60 1di0 s TRP 22 Cb 0.14 -3.95 0.00 0.00 -0.00 0.00 0.00 33.47 29.67 1di0 s TRP 22 CO 0.82 -3.61 0.45 0.72 -0.00 0.00 0.00 176.95 175.33 1di0 n HIS 23 N 4.49 -1.54 -0.32 5.86 8.25 -1.26 -4.61 115.22 126.09 1di0 n HIS 23 Ca 0.15 0.39 0.25 0.00 -0.26 0.00 0.00 57.72 58.25 1di0 n HIS 23 Cb 0.39 -3.83 0.56 0.00 1.12 0.00 0.00 29.99 28.23 1di0 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1di0 h ALA 24 N 0.82 2.42 -0.77 -1.41 0.00 -1.42 0.15 119.26 119.05 1di0 h ALA 24 Ca -0.43 0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.64 1di0 h ALA 24 Cb 1.30 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1di0 h ALA 24 CO 0.47 -0.82 0.51 0.38 0.00 0.00 0.00 179.25 179.79 1di0 h ASP 25 N 0.30 0.54 0.00 0.00 3.04 -1.90 0.33 116.42 118.74 1di0 h ASP 25 Ca 0.59 0.02 -0.05 0.00 -3.24 0.00 0.00 57.03 54.35 1di0 h ASP 25 Cb 1.67 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.86 1di0 h ASP 25 CO -0.24 0.30 -0.35 0.40 -2.04 0.00 0.00 179.24 177.32 1di0 h ILE 26 N 0.58 0.98 -0.99 4.15 2.04 -1.34 -3.36 117.51 119.58 1di0 h ILE 26 Ca 0.37 -1.85 0.16 0.00 1.00 0.00 0.00 64.86 64.54 1di0 h ILE 26 Cb 0.63 1.97 -0.09 0.00 -0.74 0.00 0.00 36.82 38.59 1di0 h ILE 26 CO -0.14 0.33 0.62 0.58 0.00 0.00 0.00 178.15 179.54 1di0 h VAL 27 N -1.00 0.79 -0.95 1.67 2.07 -1.28 -0.80 116.25 116.75 1di0 h VAL 27 Ca -0.08 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.37 1di0 h VAL 27 Cb 0.79 -0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 1di0 h VAL 27 CO -0.05 0.15 0.61 0.44 0.02 0.00 0.00 177.57 178.74 1di0 h ASP 28 N 0.81 0.52 -0.94 0.57 3.45 -0.48 0.20 116.42 120.54 1di0 h ASP 28 Ca 0.53 0.06 0.11 0.00 0.43 0.00 0.00 57.03 58.16 1di0 h ASP 28 Cb 0.77 -0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 39.44 1di0 h ASP 28 CO -0.31 0.19 0.60 -0.08 -1.57 0.00 0.00 179.24 178.07 1di0 h GLU 29 N 0.51 0.90 -0.36 3.56 4.57 -1.28 -1.71 114.58 120.77 1di0 h GLU 29 Ca 0.51 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.47 1di0 h GLU 29 Cb 1.13 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1di0 h GLU 29 CO -0.24 0.60 -0.42 0.00 -1.18 0.00 0.00 179.01 177.76 1di0 h ALA 30 N 1.55 0.55 -0.27 2.92 0.00 -0.68 -2.37 119.26 120.96 1di0 h ALA 30 Ca 0.45 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1di0 h ALA 30 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1di0 h ALA 30 CO -0.21 0.68 0.03 -0.09 0.00 0.00 0.00 179.25 179.66 1di0 h ARG 31 N 0.75 0.45 -0.48 0.00 2.43 -1.18 -0.21 114.38 116.14 1di0 h ARG 31 Ca 0.05 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1di0 h ARG 31 Cb 1.02 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.46 1di0 h ARG 31 CO 0.10 0.58 0.12 0.87 -1.51 0.00 0.00 179.97 180.13 1di0 h LYS 32 N 0.25 0.26 -0.61 0.20 1.57 -1.32 0.11 116.57 117.03 1di0 h LYS 32 Ca 0.08 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1di0 h LYS 32 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1di0 h LYS 32 CO 0.01 0.17 0.10 1.03 -0.57 0.00 0.00 179.45 180.19 1di0 h SER 33 N 0.26 0.97 -0.06 0.86 0.87 -1.35 -2.09 113.55 113.02 1di0 h SER 33 Ca 0.24 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1di0 h SER 33 Cb 0.29 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1di0 h SER 33 CO -0.29 0.99 0.01 0.15 -0.53 0.00 0.00 176.83 177.16 1di0 h PHE 34 N 0.92 0.11 -0.71 2.24 3.57 -0.21 -1.79 116.94 121.07 1di0 h PHE 34 Ca 0.19 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1di0 h PHE 34 Cb 0.43 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1di0 h PHE 34 CO 0.03 0.32 0.29 0.28 -2.23 0.00 0.00 178.31 177.00 1di0 h VAL 35 N -0.13 1.24 0.19 1.41 2.07 -0.68 -1.13 116.25 119.22 1di0 h VAL 35 Ca 0.02 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1di0 h VAL 35 Cb 0.27 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1di0 h VAL 35 CO 0.00 0.31 -0.09 0.00 0.02 0.00 0.00 177.57 177.81 1di0 h ALA 36 N 1.28 -0.26 -0.86 1.67 0.00 -1.34 -1.37 119.26 118.38 1di0 h ALA 36 Ca 0.24 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1di0 h ALA 36 Cb 0.20 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1di0 h ALA 36 CO -0.02 -0.46 0.55 0.93 0.00 0.00 0.00 179.25 180.25 1di0 h GLU 37 N -0.62 1.04 -1.00 0.00 4.39 -1.24 0.14 114.58 117.28 1di0 h GLU 37 Ca -0.03 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.67 1di0 h GLU 37 Cb 0.46 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 1di0 h GLU 37 CO 0.04 0.69 0.65 -0.07 -1.16 0.00 0.00 179.01 179.16 1di0 h LEU 38 N 1.07 1.06 -0.06 1.33 -0.00 -1.07 -0.09 115.31 117.55 1di0 h LEU 38 Ca 0.34 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.21 1di0 h LEU 38 Cb 0.01 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.44 1di0 h LEU 38 CO -0.12 0.70 -0.03 0.00 -0.00 0.00 0.00 178.44 178.99 1di0 h ALA 39 N 1.44 0.09 0.29 1.53 0.00 -0.16 -2.32 119.26 120.13 1di0 h ALA 39 Ca 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1di0 h ALA 39 Cb 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1di0 h ALA 39 CO -0.15 -0.17 -0.52 0.00 0.00 0.00 0.00 179.25 178.40 1di0 h ALA 40 N 0.63 -1.07 0.00 0.00 0.00 -0.03 0.36 119.26 119.15 1di0 h ALA 40 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1di0 h ALA 40 Cb 0.46 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1di0 h ALA 40 CO 0.01 -1.16 0.00 1.63 0.00 0.00 0.00 179.25 179.73 1di0 n LYS 41 N -5.49 0.17 0.00 0.00 4.01 -0.11 -3.59 118.16 113.15 1di0 n LYS 41 Ca -0.10 0.54 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 1di0 n LYS 41 Cb 0.44 -1.93 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 1di0 n LYS 41 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1di0 n THR 42 N -2.27 0.00 0.00 -0.18 -2.24 -0.87 -5.01 114.28 103.70 1di0 n THR 42 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1di0 n THR 42 Cb 0.13 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1di0 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1di0 n GLY 43 N 0.75 1.96 0.00 3.38 0.00 0.12 -3.66 105.19 107.75 1di0 n GLY 43 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1di0 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1di0 n GLY 44 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.73 105.19 99.17 1di0 n GLY 44 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1di0 n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1di0 n SER 45 N 0.00 0.00 -3.97 1.61 3.41 -1.24 -4.26 113.62 109.18 1di0 n SER 45 Ca 0.00 -0.35 -0.31 0.00 -0.26 0.00 0.00 58.87 57.95 1di0 n SER 45 Cb 0.00 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 1di0 n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1di0 s VAL 46 N -2.33 1.67 -0.08 -3.33 1.01 -1.26 -2.40 120.40 113.68 1di0 s VAL 46 Ca 0.28 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1di0 s VAL 46 Cb 0.16 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1di0 s VAL 46 CO 0.33 -0.09 0.12 -1.83 0.00 0.00 0.00 175.10 173.62 1di0 s GLU 47 N 1.33 3.31 -0.20 2.72 -1.05 -1.10 -4.84 118.70 118.88 1di0 s GLU 47 Ca -0.06 -0.26 -0.07 0.00 -0.15 0.00 0.00 54.97 54.42 1di0 s GLU 47 Cb -0.19 -3.06 -0.04 0.00 -0.44 0.00 0.00 34.13 30.40 1di0 s GLU 47 CO -0.06 0.73 0.07 0.08 0.95 0.00 0.00 175.26 177.03 1di0 s VAL 48 N -1.08 4.71 -0.12 1.83 1.01 -1.26 -1.99 120.40 123.50 1di0 s VAL 48 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 1di0 s VAL 48 Cb -0.12 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1di0 s VAL 48 CO 0.08 0.43 0.08 -1.61 0.00 0.00 0.00 175.10 174.08 1di0 s GLU 49 N 0.64 3.42 -0.13 2.72 2.02 -0.54 -4.96 118.70 121.87 1di0 s GLU 49 Ca 0.03 -0.26 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1di0 s GLU 49 Cb -0.13 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 1di0 s GLU 49 CO 0.02 0.64 0.09 0.42 0.02 0.00 0.00 175.26 176.45 1di0 s ILE 50 N -0.67 5.04 -0.07 -1.63 1.09 -1.26 -1.18 121.20 122.51 1di0 s ILE 50 Ca 0.12 0.04 0.04 0.00 -1.10 0.00 0.00 60.65 59.74 1di0 s ILE 50 Cb -0.12 -3.21 0.00 0.00 -1.06 0.00 0.00 42.46 38.08 1di0 s ILE 50 CO 0.02 0.56 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.89 1di0 s PHE 51 N -0.54 1.90 0.15 3.97 0.40 0.15 -4.94 117.98 119.07 1di0 s PHE 51 Ca 0.11 -0.68 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1di0 s PHE 51 Cb -0.12 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 1di0 s PHE 51 CO 0.02 -0.29 0.37 -0.51 0.70 0.00 0.00 175.22 175.51 1di0 s ASP 52 N 0.36 6.44 -0.08 1.36 1.01 -1.26 -0.83 116.67 123.67 1di0 s ASP 52 Ca -0.12 0.50 -0.09 0.00 0.71 0.00 0.00 52.55 53.55 1di0 s ASP 52 Cb -0.15 -2.05 0.02 0.00 1.01 0.00 0.00 42.92 41.75 1di0 s ASP 52 CO 0.05 0.03 0.24 0.54 0.21 0.00 0.00 175.17 176.24 1di0 s VAL 53 N -1.71 0.01 0.11 -1.27 0.11 -0.98 -4.91 120.40 111.76 1di0 s VAL 53 Ca 0.40 -0.09 -0.32 0.00 -2.93 0.00 0.00 61.98 59.04 1di0 s VAL 53 Cb -0.12 -0.37 -0.10 0.00 -1.53 0.00 0.00 36.38 34.26 1di0 s VAL 53 CO 0.26 -0.05 1.58 -0.65 -3.33 0.00 0.00 175.10 172.91 1di0 h PRO 54 N 5.50 -0.63 0.00 1.54 0.11 -1.95 0.12 132.00 136.69 1di0 h PRO 54 Ca -0.26 0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.51 1di0 h PRO 54 Cb 1.19 0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.34 1di0 h PRO 54 CO 0.36 -0.42 -0.37 0.41 -0.21 0.00 0.00 178.00 177.78 1di0 n GLY 55 N -1.47 3.17 0.35 -0.55 0.00 -1.26 -2.63 105.19 102.81 1di0 n GLY 55 Ca -0.07 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.08 1di0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di0 h ALA 56 N 1.81 1.42 0.00 4.61 0.00 -1.93 -1.63 119.26 123.55 1di0 h ALA 56 Ca -0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1di0 h ALA 56 Cb 0.95 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1di0 h ALA 56 CO 0.28 0.53 -0.01 -0.92 0.00 0.00 0.00 179.25 179.14 1di0 h TYR 57 N 1.07 0.00 -0.00 0.00 3.20 -1.95 -0.25 116.97 119.04 1di0 h TYR 57 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1di0 h TYR 57 Cb -0.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1di0 h TYR 57 CO 0.00 0.01 -0.31 0.39 -1.64 0.00 0.00 178.16 176.61 1di0 n GLU 58 N -3.20 0.09 0.02 1.82 4.71 -0.61 -4.36 120.64 119.11 1di0 n GLU 58 Ca -0.03 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.16 56.96 1di0 n GLU 58 Cb 0.10 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.96 1di0 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1di0 h ILE 59 N 0.10 1.12 -0.68 -3.67 2.04 -1.10 -3.15 117.51 112.16 1di0 h ILE 59 Ca 0.00 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.63 1di0 h ILE 59 Cb 0.49 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1di0 h ILE 59 CO 0.00 0.09 0.29 -0.65 0.00 0.00 0.00 178.15 177.88 1di0 h PRO 60 N -0.11 0.47 -0.23 2.37 0.11 -1.77 -0.39 132.00 132.45 1di0 h PRO 60 Ca 0.01 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1di0 h PRO 60 Cb 0.14 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1di0 h PRO 60 CO -0.00 0.31 -0.37 1.25 -0.21 0.00 0.00 178.00 178.98 1di0 h LEU 61 N 0.49 0.55 0.09 2.35 5.85 -1.86 -0.61 115.31 122.16 1di0 h LEU 61 Ca 0.35 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1di0 h LEU 61 Cb 0.43 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1di0 h LEU 61 CO -0.32 0.87 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.87 1di0 h HIS 62 N 0.44 -0.12 -0.50 1.25 2.76 -1.34 -0.01 115.15 117.62 1di0 h HIS 62 Ca 0.04 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.31 1di0 h HIS 62 Cb 0.85 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 29.77 1di0 h HIS 62 CO 0.03 0.04 0.02 0.00 -1.30 0.00 0.00 177.93 176.72 1di0 h ALA 63 N 0.65 0.49 -0.53 5.26 0.00 -0.93 -1.59 119.26 122.60 1di0 h ALA 63 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1di0 h ALA 63 Cb 0.21 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1di0 h ALA 63 CO 0.02 -0.37 0.35 -0.22 0.00 0.00 0.00 179.25 179.03 1di0 h LYS 64 N 0.14 0.70 -0.38 0.00 3.64 -0.82 0.42 116.57 120.27 1di0 h LYS 64 Ca 0.25 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1di0 h LYS 64 Cb 0.38 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1di0 h LYS 64 CO -0.40 0.47 0.18 1.15 -2.27 0.00 0.00 179.45 178.58 1di0 h THR 65 N 0.72 1.17 0.32 1.00 2.02 -0.39 0.15 112.91 117.89 1di0 h THR 65 Ca 0.19 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1di0 h THR 65 Cb -0.08 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1di0 h THR 65 CO -0.04 0.18 -0.15 -0.07 0.37 0.00 0.00 175.52 175.81 1di0 h LEU 66 N 0.47 -0.36 -0.99 2.58 3.38 -1.22 -2.76 115.31 116.41 1di0 h LEU 66 Ca 0.13 -0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.20 1di0 h LEU 66 Cb 0.12 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 1di0 h LEU 66 CO -0.02 -0.04 0.57 0.00 0.09 0.00 0.00 178.44 179.04 1di0 h ALA 67 N -0.15 1.75 0.00 1.53 0.00 -0.03 -0.23 119.26 122.14 1di0 h ALA 67 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1di0 h ALA 67 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1di0 h ALA 67 CO 0.07 -0.29 0.00 -0.09 0.00 0.00 0.00 179.25 178.94 1di0 h ARG 68 N 0.55 0.00 0.00 0.00 9.65 -0.67 -2.91 114.38 120.99 1di0 h ARG 68 Ca 0.64 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.52 1di0 h ARG 68 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1di0 h ARG 68 CO -0.49 0.00 0.00 0.25 2.80 0.00 0.00 179.97 182.53 1di0 n THR 69 N -2.33 0.67 -0.19 0.20 -2.24 -0.10 -4.89 114.28 105.40 1di0 n THR 69 Ca 0.01 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1di0 n THR 69 Cb 0.19 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1di0 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1di0 n GLY 70 N 0.31 1.21 0.20 3.38 0.00 -1.10 -4.84 105.19 104.35 1di0 n GLY 70 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1di0 n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1di0 h ARG 71 N 1.10 0.00 -6.50 1.61 3.08 -1.85 -3.47 114.38 108.36 1di0 h ARG 71 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1di0 h ARG 71 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.84 1di0 h ARG 71 CO 0.00 0.26 -0.78 0.71 -1.07 0.00 0.00 179.97 179.09 1di0 s TYR 72 N -3.31 2.64 -0.64 3.04 1.51 -1.26 -4.44 117.35 114.89 1di0 s TYR 72 Ca 0.03 -0.20 0.25 0.00 -1.01 0.00 0.00 57.07 56.14 1di0 s TYR 72 Cb 0.08 -1.50 0.45 0.00 -0.11 0.00 0.00 41.96 40.88 1di0 s TYR 72 CO 0.68 0.28 1.44 0.00 -1.11 0.00 0.00 175.55 176.84 1di0 h ALA 73 N 4.53 0.70 -1.41 3.71 0.00 -1.45 -3.47 119.26 121.88 1di0 h ALA 73 Ca -0.48 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.56 1di0 h ALA 73 Cb 1.16 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 1di0 h ALA 73 CO 0.49 0.00 0.66 0.00 0.00 0.00 0.00 179.25 180.40 1di0 s ALA 74 N -3.16 -2.00 -0.02 0.00 0.00 -1.24 -4.30 121.76 111.04 1di0 s ALA 74 Ca 0.07 1.70 0.07 0.00 0.00 0.00 0.00 51.96 53.81 1di0 s ALA 74 Cb 0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1di0 s ALA 74 CO 0.69 -0.27 -0.24 0.42 0.00 0.00 0.00 175.76 176.36 1di0 s ILE 75 N -0.89 1.90 -0.10 0.00 1.01 -0.60 -2.16 121.20 120.36 1di0 s ILE 75 Ca 0.02 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1di0 s ILE 75 Cb -0.01 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1di0 s ILE 75 CO -0.03 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.55 1di0 s VAL 76 N -0.55 2.37 -0.17 2.92 1.01 0.36 -0.82 120.40 125.52 1di0 s VAL 76 Ca 0.09 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1di0 s VAL 76 Cb -0.09 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1di0 s VAL 76 CO -0.01 0.55 -0.15 -0.83 0.00 0.00 0.00 175.10 174.66 1di0 s GLY 77 N 0.25 1.47 -0.04 4.51 0.00 -0.69 0.03 107.32 112.84 1di0 s GLY 77 Ca -0.14 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.51 1di0 s GLY 77 CO 0.07 0.15 -0.16 0.00 0.00 0.00 0.00 173.10 173.16 1di0 s ALA 78 N 1.04 1.45 0.17 3.20 0.00 0.07 0.15 121.76 127.84 1di0 s ALA 78 Ca -0.01 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 1di0 s ALA 78 Cb -0.15 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.54 1di0 s ALA 78 CO -0.04 0.25 0.71 0.00 0.00 0.00 0.00 175.76 176.68 1di0 s ALA 79 N 0.11 -1.52 -0.18 0.00 0.00 0.08 -1.75 121.76 118.49 1di0 s ALA 79 Ca -0.05 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1di0 s ALA 79 Cb -0.12 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1di0 s ALA 79 CO 0.02 -0.87 -0.18 0.12 0.00 0.00 0.00 175.76 174.85 1di0 s PHE 80 N -3.67 2.79 -0.31 0.00 2.19 -1.26 -1.96 117.98 115.76 1di0 s PHE 80 Ca 0.06 -1.50 0.02 0.00 0.33 0.00 0.00 56.93 55.83 1di0 s PHE 80 Cb -0.03 -1.93 0.07 0.00 -1.31 0.00 0.00 43.02 39.83 1di0 s PHE 80 CO -0.05 -0.74 -0.01 0.08 1.83 0.00 0.00 175.22 176.33 1di0 s VAL 81 N 1.24 2.48 -0.49 3.12 1.01 -0.80 -4.93 120.40 122.04 1di0 s VAL 81 Ca 0.03 -1.84 -0.25 0.00 0.00 0.00 0.00 61.98 59.92 1di0 s VAL 81 Cb -0.14 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1di0 s VAL 81 CO -0.10 -0.28 0.95 -0.51 0.00 0.00 0.00 175.10 175.16 1di0 s ILE 82 N 1.08 4.42 -0.09 2.22 -1.16 -1.26 -3.98 121.20 122.43 1di0 s ILE 82 Ca -0.01 0.65 -0.15 0.00 -0.51 0.00 0.00 60.65 60.63 1di0 s ILE 82 Cb -0.20 -4.48 -0.05 0.00 0.61 0.00 0.00 42.46 38.34 1di0 s ILE 82 CO -0.05 -0.94 0.39 -0.62 -2.81 0.00 0.00 174.94 170.91 1di0 s ASP 83 N 2.45 6.65 0.00 4.50 3.68 -1.26 -4.84 116.67 127.85 1di0 s ASP 83 Ca 0.36 0.77 0.00 0.00 2.13 0.00 0.00 52.55 55.81 1di0 s ASP 83 Cb -0.10 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 1di0 s ASP 83 CO 0.25 0.16 0.00 0.61 0.13 0.00 0.00 175.17 176.31 1di0 n GLY 84 N 2.75 2.92 0.00 2.66 0.00 -1.26 -4.27 105.19 107.99 1di0 n GLY 84 Ca -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1di0 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1di0 n GLY 85 N 1.05 0.63 0.23 -0.02 0.00 -1.26 -4.85 105.19 100.98 1di0 n GLY 85 Ca 0.00 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.35 1di0 n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1di0 h ILE 86 N 0.00 1.02 -3.17 -0.61 1.08 -2.03 -3.42 117.51 110.39 1di0 h ILE 86 Ca 0.00 -0.56 -0.61 0.00 -0.39 0.00 0.00 64.86 63.31 1di0 h ILE 86 Cb 0.00 1.31 -0.10 0.00 -3.07 0.00 0.00 36.82 34.96 1di0 h ILE 86 CO 0.00 0.15 -0.38 -0.31 -0.69 0.00 0.00 178.15 176.92 1di0 s TYR 87 N -4.60 3.49 0.08 1.37 1.51 -1.26 -5.06 117.35 112.88 1di0 s TYR 87 Ca -0.04 0.54 -0.31 0.00 -1.01 0.00 0.00 57.07 56.26 1di0 s TYR 87 Cb 0.15 -2.23 -0.08 0.00 -0.11 0.00 0.00 41.96 39.69 1di0 s TYR 87 CO 0.67 0.36 1.57 0.34 -1.11 0.00 0.00 175.55 177.38 1di0 s ASP 88 N 0.10 6.66 0.00 2.29 -1.08 -1.26 -4.17 116.67 119.21 1di0 s ASP 88 Ca 0.14 2.44 0.00 0.00 -0.52 0.00 0.00 52.55 54.61 1di0 s ASP 88 Cb -0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1di0 s ASP 88 CO 0.03 -0.82 0.29 1.41 0.52 0.00 0.00 175.17 176.60 1di0 n HIS 89 N 5.06 0.00 0.22 -5.34 8.25 -1.26 -4.71 115.22 117.43 1di0 n HIS 89 Ca 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.66 1di0 n HIS 89 Cb 0.41 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.01 1di0 n HIS 89 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1di0 h ASP 90 N 0.00 0.02 -0.62 0.41 -0.00 -1.93 -2.86 116.42 111.44 1di0 h ASP 90 Ca 0.00 -0.00 0.06 0.00 -0.00 0.00 0.00 57.03 57.09 1di0 h ASP 90 Cb 0.04 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.31 1di0 h ASP 90 CO 0.00 0.19 0.32 -0.26 -0.00 0.00 0.00 179.24 179.50 1di0 h PHE 91 N 0.02 0.59 0.19 4.15 -1.00 -2.00 0.50 116.94 119.39 1di0 h PHE 91 Ca 0.00 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1di0 h PHE 91 Cb 0.32 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1di0 h PHE 91 CO 0.00 0.27 -0.09 0.28 -1.61 0.00 0.00 178.31 177.16 1di0 h VAL 92 N 0.60 0.91 -0.83 -0.55 2.07 -1.86 -2.28 116.25 114.30 1di0 h VAL 92 Ca 0.28 -0.53 0.19 0.00 0.82 0.00 0.00 66.70 67.47 1di0 h VAL 92 Cb 0.21 1.22 -0.15 0.00 -1.52 0.00 0.00 31.29 31.05 1di0 h VAL 92 CO -0.20 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 177.46 1di0 h ALA 93 N 0.23 0.79 -0.24 1.67 0.00 -1.33 -1.00 119.26 119.38 1di0 h ALA 93 Ca -0.03 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1di0 h ALA 93 Cb 0.39 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1di0 h ALA 93 CO 0.04 -0.44 0.15 1.15 0.00 0.00 0.00 179.25 180.15 1di0 h THR 94 N 0.05 1.04 -0.69 0.00 2.02 -0.78 -0.72 112.91 113.83 1di0 h THR 94 Ca 0.45 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 1di0 h THR 94 Cb 0.79 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1di0 h THR 94 CO -0.78 0.06 0.30 0.00 0.37 0.00 0.00 175.52 175.47 1di0 h ALA 95 N 1.10 1.23 -0.13 6.16 0.00 -0.78 -1.79 119.26 125.05 1di0 h ALA 95 Ca 0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1di0 h ALA 95 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1di0 h ALA 95 CO -0.03 0.58 -0.28 0.28 0.00 0.00 0.00 179.25 179.80 1di0 h VAL 96 N 0.99 1.38 -0.05 0.00 2.07 -1.02 0.43 116.25 120.05 1di0 h VAL 96 Ca 0.24 -1.56 -0.16 0.00 0.82 0.00 0.00 66.70 66.04 1di0 h VAL 96 Cb 0.15 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1di0 h VAL 96 CO -0.03 0.46 -0.67 0.40 0.02 0.00 0.00 177.57 177.76 1di0 h ILE 97 N -0.00 1.42 -0.20 4.57 2.04 -1.06 -0.44 117.51 123.83 1di0 h ILE 97 Ca 0.00 -2.14 -0.17 0.00 1.00 0.00 0.00 64.86 63.55 1di0 h ILE 97 Cb 0.87 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1di0 h ILE 97 CO 0.06 0.63 -0.53 0.78 0.00 0.00 0.00 178.15 179.09 1di0 h ASN 98 N 0.15 0.81 -0.45 1.72 -0.26 -1.37 -2.88 115.58 113.30 1di0 h ASN 98 Ca -0.01 -0.58 -0.01 0.00 -0.56 0.00 0.00 56.30 55.13 1di0 h ASN 98 Cb 1.20 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 38.20 1di0 h ASN 98 CO 0.10 1.24 0.24 1.23 -1.06 0.00 0.00 177.43 179.18 1di0 h GLY 99 N 0.41 0.72 1.55 2.83 0.00 0.32 -1.27 103.07 107.62 1di0 h GLY 99 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1di0 h GLY 99 CO 0.11 0.31 -0.49 -0.33 0.00 0.00 0.00 176.54 176.14 1di0 h MET 100 N 0.67 0.49 -0.56 4.80 2.86 -1.07 -1.96 114.93 120.16 1di0 h MET 100 Ca 0.17 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1di0 h MET 100 Cb 0.06 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1di0 h MET 100 CO -0.02 0.87 0.05 1.98 1.06 0.00 0.00 176.91 180.84 1di0 h MET 101 N 0.39 0.96 -0.73 1.72 -1.53 -1.18 -2.03 114.93 112.53 1di0 h MET 101 Ca 0.02 -0.28 -0.01 0.00 -3.44 0.00 0.00 59.70 55.99 1di0 h MET 101 Cb 0.99 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.91 1di0 h MET 101 CO 0.09 0.94 0.42 0.37 0.14 0.00 0.00 176.91 178.86 1di0 h GLN 102 N 0.85 0.99 -0.41 0.39 4.15 -1.00 -1.92 115.11 118.16 1di0 h GLN 102 Ca 0.17 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.34 1di0 h GLN 102 Cb 0.47 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1di0 h GLN 102 CO 0.02 0.71 -0.33 0.28 -1.93 0.00 0.00 178.83 177.59 1di0 h VAL 103 N 1.01 1.27 0.00 2.39 2.07 -0.99 -2.34 116.25 119.67 1di0 h VAL 103 Ca 0.26 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 1di0 h VAL 103 Cb -0.01 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1di0 h VAL 103 CO -0.05 0.50 -0.52 0.06 0.02 0.00 0.00 177.57 177.59 1di0 h GLN 104 N 0.77 0.00 0.00 1.57 3.07 -1.14 0.69 115.11 120.07 1di0 h GLN 104 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.69 1di0 h GLN 104 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.45 1di0 h GLN 104 CO 0.08 0.52 -0.58 -0.07 0.09 0.00 0.00 178.83 178.87 1di0 h LEU 105 N 0.00 0.00 0.21 0.06 3.38 -1.19 0.44 115.31 118.21 1di0 h LEU 105 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1di0 h LEU 105 Cb 1.24 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.01 1di0 h LEU 105 CO 0.07 0.58 -1.68 -0.08 0.09 0.00 0.00 178.44 177.42 1di0 h GLU 106 N 0.00 0.44 0.00 1.13 4.81 -1.12 -3.37 114.58 116.47 1di0 h GLU 106 Ca -0.01 -0.75 -0.16 0.00 -0.13 0.00 0.00 59.36 58.31 1di0 h GLU 106 Cb 1.10 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1di0 h GLU 106 CO 0.08 1.36 -1.86 0.25 -0.73 0.00 0.00 179.01 178.11 1di0 n THR 107 N -3.63 0.82 -1.60 0.32 -2.24 0.21 -4.97 114.28 103.19 1di0 n THR 107 Ca -0.23 -0.67 -0.06 0.00 -2.27 0.00 0.00 64.05 60.82 1di0 n THR 107 Cb 1.09 -0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1di0 n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1di0 n GLU 108 N -2.63 -0.47 -4.29 -0.78 1.02 0.14 -5.02 120.64 108.61 1di0 n GLU 108 Ca -0.14 0.54 -0.34 0.00 -0.02 0.00 0.00 57.16 57.20 1di0 n GLU 108 Cb 0.82 -4.35 -0.12 0.00 -0.02 0.00 0.00 31.44 27.77 1di0 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1di0 s VAL 109 N -2.27 3.88 0.19 2.62 1.01 -1.25 -5.07 120.40 119.51 1di0 s VAL 109 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 61.98 61.30 1di0 s VAL 109 Cb 0.00 -2.72 -0.13 0.00 0.00 0.00 0.00 36.38 33.53 1di0 s VAL 109 CO 0.00 0.47 1.55 -2.65 0.00 0.00 0.00 175.10 174.47 1di0 n PRO 110 N 3.78 2.20 -4.01 2.72 -0.02 -1.26 -4.54 135.00 133.87 1di0 n PRO 110 Ca -0.17 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1di0 n PRO 110 Cb 0.52 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1di0 n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1di0 s VAL 111 N 0.63 2.68 -0.13 -1.45 1.01 -1.26 -1.56 120.40 120.32 1di0 s VAL 111 Ca 0.75 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1di0 s VAL 111 Cb -0.65 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1di0 s VAL 111 CO 0.41 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 175.32 1di0 s LEU 112 N 1.36 4.34 -0.22 3.92 1.02 0.00 -4.97 118.68 124.14 1di0 s LEU 112 Ca 0.04 0.43 -0.13 0.00 0.02 0.00 0.00 54.13 54.50 1di0 s LEU 112 Cb -0.14 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 1di0 s LEU 112 CO -0.08 0.38 0.25 -0.55 0.02 0.00 0.00 176.35 176.37 1di0 s SER 113 N -0.86 6.26 -0.35 2.29 0.15 -1.26 -1.70 113.70 118.23 1di0 s SER 113 Ca 0.14 0.29 0.13 0.00 0.70 0.00 0.00 55.95 57.21 1di0 s SER 113 Cb -0.12 -2.15 0.45 0.00 -1.71 0.00 0.00 66.02 62.49 1di0 s SER 113 CO 0.03 0.03 1.06 0.52 1.20 0.00 0.00 173.24 176.09 1di0 n VAL 114 N 4.17 1.71 -3.56 4.45 0.31 0.12 -4.95 118.33 120.58 1di0 n VAL 114 Ca -0.13 -3.83 -0.41 0.00 -0.01 0.00 0.00 64.34 59.97 1di0 n VAL 114 Cb 0.52 -0.14 -0.09 0.00 -0.91 0.00 0.00 33.84 33.23 1di0 n VAL 114 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1di0 s VAL 115 N -4.25 4.20 -0.14 2.52 1.01 -1.24 -0.74 120.40 121.77 1di0 s VAL 115 Ca 0.37 -1.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 1di0 s VAL 115 Cb 0.41 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1di0 s VAL 115 CO -0.05 -0.76 0.11 -0.76 0.00 0.00 0.00 175.10 173.64 1di0 s LEU 116 N 1.36 4.19 -0.30 3.92 2.01 -0.83 -4.92 118.68 124.10 1di0 s LEU 116 Ca 0.06 0.34 0.01 0.00 0.01 0.00 0.00 54.13 54.55 1di0 s LEU 116 Cb -0.26 -2.03 0.09 0.00 0.01 0.00 0.00 46.19 44.00 1di0 s LEU 116 CO -0.01 0.34 0.05 -0.89 1.01 0.00 0.00 176.35 176.86 1di0 s THR 117 N -0.62 1.48 0.61 5.49 2.01 -1.26 -1.90 115.64 121.43 1di0 s THR 117 Ca 0.12 -1.67 -0.16 0.00 0.31 0.00 0.00 61.69 60.30 1di0 s THR 117 Cb -0.12 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1di0 s THR 117 CO 0.02 -0.52 1.07 -2.16 -0.69 0.00 0.00 174.62 172.34 1di0 s PRO 118 N 1.33 3.21 0.51 4.92 0.04 -1.26 -4.94 135.00 138.82 1di0 s PRO 118 Ca 0.07 1.24 0.21 0.00 0.04 0.00 0.00 61.00 62.56 1di0 s PRO 118 Cb -0.18 -2.02 1.31 0.00 0.04 0.00 0.00 34.50 33.65 1di0 s PRO 118 CO -0.15 -0.90 2.03 0.45 0.04 0.00 0.00 177.00 178.47 1di0 h HIS 119 N 0.35 0.07 0.00 0.56 3.86 -1.95 -3.37 115.15 114.67 1di0 h HIS 119 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1di0 h HIS 119 Cb 1.23 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1di0 h HIS 119 CO 0.58 0.03 0.00 1.58 0.86 0.00 0.00 177.93 180.98 1di0 n HIS 120 N -4.43 0.00 -1.58 2.45 -0.00 -1.26 -4.90 115.22 105.50 1di0 n HIS 120 Ca 0.07 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.95 1di0 n HIS 120 Cb 0.44 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 30.43 1di0 n HIS 120 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1di0 s PHE 121 N 0.00 2.66 -0.48 1.57 -0.71 -1.26 -5.07 117.98 114.69 1di0 s PHE 121 Ca 0.00 0.93 0.06 0.00 -1.04 0.00 0.00 56.93 56.88 1di0 s PHE 121 Cb 0.00 -3.32 0.18 0.00 -1.21 0.00 0.00 43.02 38.67 1di0 s PHE 121 CO 0.00 -2.12 0.61 -1.58 -1.34 0.00 0.00 175.22 170.79 1di0 s HIS 121 N -3.28 -0.84 0.00 3.49 2.46 -1.26 -5.07 115.29 110.79 1di0 s HIS 121 Ca 0.63 -1.04 0.00 0.00 0.47 0.00 0.00 55.06 55.11 1di0 s HIS 121 Cb -0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.27 1di0 s HIS 121 CO 0.53 -1.15 0.00 -0.85 -2.47 0.00 0.00 174.74 170.81 1di0 n GLU 121 N 2.98 0.00 0.00 2.88 -0.00 -1.26 -4.90 120.64 120.34 1di0 n GLU 121 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.37 1di0 n GLU 121 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.98 1di0 n GLU 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1di0 n SER 121 N 0.00 0.00 -0.22 -1.84 2.88 -1.26 -4.62 113.62 108.56 1di0 n SER 121 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1di0 n SER 121 Cb 0.00 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 63.78 1di0 n SER 121 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1di0 n LYS 122 N 0.94 0.01 0.18 -1.46 0.00 -1.26 0.20 118.16 116.76 1di0 n LYS 122 Ca 0.00 0.58 -0.17 0.00 -0.00 0.00 0.00 58.31 58.72 1di0 n LYS 122 Cb 0.00 -1.41 -0.10 0.00 -0.00 0.00 0.00 35.03 33.52 1di0 n LYS 122 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1di0 h GLU 123 N 0.00 -0.82 0.15 -1.58 4.39 -1.98 -2.97 114.58 111.78 1di0 h GLU 123 Ca 0.36 0.06 -0.27 0.00 0.34 0.00 0.00 59.36 59.85 1di0 h GLU 123 Cb 1.81 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 30.65 1di0 h GLU 123 CO -0.00 -0.55 -1.30 0.45 -1.16 0.00 0.00 179.01 176.45 1di0 h HIS 124 N -0.85 0.59 -1.01 4.33 3.86 0.19 -3.32 115.15 118.94 1di0 h HIS 124 Ca -0.03 -0.43 0.26 0.00 -1.16 0.00 0.00 60.37 59.01 1di0 h HIS 124 Cb 0.81 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.17 1di0 h HIS 124 CO -0.39 1.51 0.67 1.25 0.86 0.00 0.00 177.93 181.83 1di0 h HIS 125 N -0.20 0.50 0.00 2.45 2.76 -1.41 0.79 115.15 120.04 1di0 h HIS 125 Ca -0.26 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.85 1di0 h HIS 125 Cb 1.84 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.64 1di0 h HIS 125 CO 0.14 0.07 -0.57 -0.44 -1.30 0.00 0.00 177.93 175.84 1di0 h ASP 126 N 0.32 0.00 0.57 3.26 3.32 -1.67 -2.25 116.42 119.98 1di0 h ASP 126 Ca 0.55 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 1di0 h ASP 126 Cb 1.52 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.07 1di0 h ASP 126 CO -0.21 0.34 -0.27 0.15 -1.72 0.00 0.00 179.24 177.53 1di0 h PHE 127 N 0.00 -0.71 -0.95 4.55 3.57 0.38 -2.29 116.94 121.49 1di0 h PHE 127 Ca -0.03 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.57 1di0 h PHE 127 Cb 1.28 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 40.18 1di0 h PHE 127 CO 0.00 -0.44 0.61 0.74 -2.23 0.00 0.00 178.31 176.98 1di0 h PHE 128 N -1.16 1.04 -0.63 0.41 0.05 -0.93 0.42 116.94 116.14 1di0 h PHE 128 Ca -0.08 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.70 1di0 h PHE 128 Cb 0.59 -0.33 -0.03 0.00 2.00 0.00 0.00 35.95 38.18 1di0 h PHE 128 CO 0.01 0.44 0.22 0.45 -0.18 0.00 0.00 178.31 179.25 1di0 h HIS 129 N 0.93 0.99 0.47 -0.55 3.86 -1.46 -0.66 115.15 118.74 1di0 h HIS 129 Ca 0.45 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1di0 h HIS 129 Cb 0.46 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1di0 h HIS 129 CO -0.00 0.80 -0.23 0.00 0.86 0.00 0.00 177.93 179.36 1di0 h ALA 130 N 1.08 -0.63 -0.52 2.45 0.00 -0.70 -2.48 119.26 118.46 1di0 h ALA 130 Ca 0.21 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1di0 h ALA 130 Cb 0.26 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1di0 h ALA 130 CO -0.01 -0.80 0.07 1.25 0.00 0.00 0.00 179.25 179.76 1di0 h HIS 131 N -0.73 0.10 -0.60 0.00 6.17 -0.84 -0.46 115.15 118.79 1di0 h HIS 131 Ca -0.06 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.04 1di0 h HIS 131 Cb 0.53 0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.47 1di0 h HIS 131 CO -0.02 -0.05 0.35 0.74 0.71 0.00 0.00 177.93 179.66 1di0 h PHE 132 N 0.20 0.79 -0.81 5.26 -1.00 -1.10 -1.06 116.94 119.22 1di0 h PHE 132 Ca 0.27 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 1di0 h PHE 132 Cb 0.38 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1di0 h PHE 132 CO -0.26 0.54 0.46 -0.22 -1.61 0.00 0.00 178.31 177.22 1di0 h LYS 133 N 0.83 1.11 0.12 1.51 3.64 -0.62 -1.30 116.57 121.86 1di0 h LYS 133 Ca 0.22 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1di0 h LYS 133 Cb -0.01 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1di0 h LYS 133 CO -0.04 0.80 -0.06 0.28 -2.27 0.00 0.00 179.45 178.16 1di0 h VAL 134 N 1.12 1.06 -0.65 2.00 2.07 -0.78 -3.07 116.25 118.00 1di0 h VAL 134 Ca 0.29 -0.87 0.13 0.00 0.82 0.00 0.00 66.70 67.07 1di0 h VAL 134 Cb -0.01 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1di0 h VAL 134 CO -0.05 0.20 0.44 0.11 0.02 0.00 0.00 177.57 178.29 1di0 h LYS 135 N -0.58 0.30 -0.36 1.57 1.79 -1.00 0.16 116.57 118.45 1di0 h LYS 135 Ca -0.02 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1di0 h LYS 135 Cb 0.46 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1di0 h LYS 135 CO 0.03 0.20 -0.17 0.78 -1.08 0.00 0.00 179.45 179.20 1di0 h GLY 136 N 0.31 0.71 0.82 3.86 0.00 -1.19 -0.19 103.07 107.40 1di0 h GLY 136 Ca 0.31 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1di0 h GLY 136 CO -0.08 0.51 -0.36 -2.08 0.00 0.00 0.00 176.54 174.54 1di0 h VAL 137 N 0.59 1.37 -0.44 4.60 2.07 -0.63 -2.64 116.25 121.16 1di0 h VAL 137 Ca 0.09 -1.65 0.05 0.00 0.82 0.00 0.00 66.70 66.02 1di0 h VAL 137 Cb 0.63 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 1di0 h VAL 137 CO 0.04 0.49 0.18 -0.33 0.02 0.00 0.00 177.57 177.98 1di0 h GLU 138 N 0.08 0.36 -0.91 1.57 5.08 -1.19 -1.59 114.58 117.97 1di0 h GLU 138 Ca -0.01 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1di0 h GLU 138 Cb 0.97 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.06 1di0 h GLU 138 CO 0.08 0.24 0.55 0.00 -1.00 0.00 0.00 179.01 178.88 1di0 h ALA 139 N 1.27 1.33 -0.14 3.43 0.00 -0.95 -0.03 119.26 124.17 1di0 h ALA 139 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1di0 h ALA 139 Cb 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1di0 h ALA 139 CO -0.18 0.18 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 1di0 h ALA 140 N 1.49 0.19 -0.79 0.00 0.00 -0.98 0.20 119.26 119.37 1di0 h ALA 140 Ca 0.44 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1di0 h ALA 140 Cb 0.40 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1di0 h ALA 140 CO -0.25 -0.04 0.45 0.45 0.00 0.00 0.00 179.25 179.86 1di0 h HIS 141 N -0.05 0.82 0.35 0.00 -0.00 -0.79 -2.03 115.15 113.45 1di0 h HIS 141 Ca 0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1di0 h HIS 141 Cb 0.49 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1di0 h HIS 141 CO 0.06 0.36 -0.17 0.00 -0.00 0.00 0.00 177.93 178.18 1di0 h ALA 142 N 1.42 -0.47 -0.63 2.45 0.00 -0.78 -1.02 119.26 120.24 1di0 h ALA 142 Ca 0.37 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1di0 h ALA 142 Cb 0.30 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1di0 h ALA 142 CO -0.22 -0.75 0.10 0.00 0.00 0.00 0.00 179.25 178.38 1di0 h ALA 143 N 0.15 0.72 -0.18 0.00 0.00 -0.71 -0.24 119.26 119.00 1di0 h ALA 143 Ca -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1di0 h ALA 143 Cb 0.38 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1di0 h ALA 143 CO 0.08 -0.34 0.06 -0.07 0.00 0.00 0.00 179.25 178.98 1di0 h LEU 144 N 0.22 0.25 -0.47 0.00 3.38 -1.25 -0.51 115.31 116.92 1di0 h LEU 144 Ca 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1di0 h LEU 144 Cb 0.53 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1di0 h LEU 144 CO -0.46 0.37 0.28 -0.61 0.09 0.00 0.00 178.44 178.11 1di0 h GLN 145 N 0.12 0.65 -0.25 1.13 4.15 -0.35 -2.26 115.11 118.30 1di0 h GLN 145 Ca 0.06 -0.07 -0.19 0.00 0.77 0.00 0.00 58.65 59.22 1di0 h GLN 145 Cb 0.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1di0 h GLN 145 CO -0.00 0.49 -0.58 0.97 -1.93 0.00 0.00 178.83 177.77 1di0 h ILE 146 N 0.63 1.28 -0.49 2.39 6.09 -1.00 0.18 117.51 126.59 1di0 h ILE 146 Ca 0.17 -1.77 -0.04 0.00 -1.37 0.00 0.00 64.86 61.85 1di0 h ILE 146 Cb 0.01 1.74 -0.02 0.00 0.47 0.00 0.00 36.82 39.02 1di0 h ILE 146 CO -0.03 0.57 0.15 0.58 -3.07 0.00 0.00 178.15 176.35 1di0 h VAL 147 N 0.60 1.20 -0.33 2.19 2.07 -0.94 -1.06 116.25 119.99 1di0 h VAL 147 Ca -0.00 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 1di0 h VAL 147 Cb 1.20 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1di0 h VAL 147 CO 0.13 0.26 -0.21 -1.28 0.02 0.00 0.00 177.57 176.49 1di0 h SER 148 N 0.71 0.75 0.24 0.57 0.87 -1.17 -2.61 113.55 112.91 1di0 h SER 148 Ca 0.16 -0.43 -0.10 0.00 -1.23 0.00 0.00 61.79 60.19 1di0 h SER 148 Cb 0.22 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1di0 h SER 148 CO -0.01 1.02 -0.39 -0.08 -0.53 0.00 0.00 176.83 176.84 1di0 h GLU 149 N 0.48 0.21 -0.01 2.24 4.57 -0.49 -2.91 114.58 118.68 1di0 h GLU 149 Ca 0.07 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 57.97 1di0 h GLU 149 Cb 0.76 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1di0 h GLU 149 CO 0.06 0.58 -0.79 0.00 -1.18 0.00 0.00 179.01 177.68 1di0 h ARG 150 N 0.18 0.16 0.00 1.92 3.08 -1.10 -2.90 114.38 115.72 1di0 h ARG 150 Ca 0.02 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1di0 h ARG 150 Cb 0.78 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1di0 h ARG 150 CO 0.06 0.86 0.00 0.66 -1.07 0.00 0.00 179.97 180.48 1di0 h SER 151 N 0.10 0.00 0.00 7.04 4.64 -1.35 -2.55 113.55 121.43 1di0 h SER 151 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1di0 h SER 151 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1di0 h SER 151 CO 0.12 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 1di0 n ARG 152 N -3.03 0.00 0.00 4.77 1.74 -1.11 -3.56 116.66 115.47 1di0 n ARG 152 Ca 0.02 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1di0 n ARG 152 Cb 0.41 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1di0 n ARG 152 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1di0 n ILE 153 N -1.73 0.00 1.20 0.55 -5.35 -1.14 -5.13 119.36 107.76 1di0 n ILE 153 Ca 0.00 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 1di0 n ILE 153 Cb 0.00 -0.78 0.27 0.00 -1.74 0.00 0.00 39.64 37.40 1di0 n ILE 153 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79