#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1di0 s SER 12 N 0.00 1.91 0.05 1.09 0.15 -1.24 -4.18 113.70 111.47 1di0 s SER 12 Ca 0.00 -0.23 -0.28 0.00 0.70 0.00 0.00 55.95 56.14 1di0 s SER 12 Cb 0.00 -0.58 0.09 0.00 -1.71 0.00 0.00 66.02 63.82 1di0 s SER 12 CO 0.00 -0.18 1.09 0.72 1.20 0.00 0.00 173.24 176.06 1di0 s PHE 13 N 1.88 -0.12 0.18 3.44 -0.12 -1.18 -5.03 117.98 117.02 1di0 s PHE 13 Ca 0.04 -0.07 0.07 0.00 -0.05 0.00 0.00 56.93 56.92 1di0 s PHE 13 Cb -0.13 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1di0 s PHE 13 CO -0.06 -0.55 0.06 0.15 -0.05 0.00 0.00 175.22 174.76 1di0 s LYS 14 N -2.90 2.61 -0.09 1.99 3.01 -1.26 -3.05 119.74 120.05 1di0 s LYS 14 Ca 0.12 -1.03 0.02 0.00 -1.01 0.00 0.00 55.97 54.06 1di0 s LYS 14 Cb 0.01 -2.47 0.02 0.00 -1.01 0.00 0.00 37.83 34.38 1di0 s LYS 14 CO -0.02 0.46 -0.12 0.42 0.51 0.00 0.00 175.35 176.60 1di0 s ILE 15 N -1.78 1.24 -0.10 2.17 1.01 -0.98 -0.61 121.20 122.15 1di0 s ILE 15 Ca 0.29 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1di0 s ILE 15 Cb -0.09 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1di0 s ILE 15 CO 0.21 0.39 0.43 0.00 0.00 0.00 0.00 174.94 175.97 1di0 s ALA 16 N 0.97 3.54 -0.32 9.38 0.00 -0.69 -1.40 121.76 133.24 1di0 s ALA 16 Ca -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1di0 s ALA 16 Cb -0.15 -2.55 0.09 0.00 0.00 0.00 0.00 23.12 20.51 1di0 s ALA 16 CO -0.00 0.12 0.02 0.12 0.00 0.00 0.00 175.76 176.02 1di0 s PHE 17 N 0.23 3.65 -0.35 0.00 5.36 -0.39 -0.35 117.98 126.12 1di0 s PHE 17 Ca 0.24 -2.83 -0.22 0.00 -0.96 0.00 0.00 56.93 53.16 1di0 s PHE 17 Cb -0.15 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1di0 s PHE 17 CO 0.10 -0.93 0.71 0.42 -1.46 0.00 0.00 175.22 174.05 1di0 s ILE 18 N 0.96 4.82 -0.07 3.12 1.01 0.20 -0.61 121.20 130.63 1di0 s ILE 18 Ca 0.06 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.54 1di0 s ILE 18 Cb -0.19 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1di0 s ILE 18 CO -0.07 -0.34 -0.24 0.00 0.00 0.00 0.00 174.94 174.29 1di0 s GLN 19 N 2.88 2.73 0.36 2.79 -2.07 -0.24 -0.44 119.66 125.67 1di0 s GLN 19 Ca 0.28 -0.89 -0.25 0.00 -1.82 0.00 0.00 55.36 52.68 1di0 s GLN 19 Cb -0.14 -2.23 -0.09 0.00 -1.09 0.00 0.00 33.01 29.46 1di0 s GLN 19 CO 0.15 0.32 1.02 0.00 -1.32 0.00 0.00 175.29 175.46 1di0 s ALA 20 N -0.00 3.17 -0.46 2.60 0.00 -0.53 -2.61 121.76 123.93 1di0 s ALA 20 Ca -0.08 0.67 0.23 0.00 0.00 0.00 0.00 51.96 52.78 1di0 s ALA 20 Cb -0.15 -3.25 0.13 0.00 0.00 0.00 0.00 23.12 19.85 1di0 s ALA 20 CO 0.05 -0.07 1.14 0.54 0.00 0.00 0.00 175.76 177.42 1di0 n ARG 21 N 0.31 0.43 -1.93 0.00 5.12 -0.52 -4.56 116.66 115.52 1di0 n ARG 21 Ca 0.03 0.08 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 1di0 n ARG 21 Cb 0.49 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 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 -3.26 2.77 -1.37 -1.55 -0.00 -1.17 -0.61 118.94 113.75 1di0 s TRP 22 Ca 0.03 0.49 0.00 0.00 -0.00 0.00 0.00 56.10 56.61 1di0 s TRP 22 Cb 0.12 -3.94 0.00 0.00 -0.00 0.00 0.00 33.47 29.65 1di0 s TRP 22 CO 0.77 -3.62 0.00 0.72 -0.00 0.00 0.00 176.95 174.81 1di0 n HIS 23 N 4.72 -0.74 -0.49 5.86 8.25 -1.26 -4.63 115.22 126.93 1di0 n HIS 23 Ca 0.15 0.00 0.42 0.00 -0.26 0.00 0.00 57.72 58.02 1di0 n HIS 23 Cb 0.39 -3.26 0.75 0.00 1.12 0.00 0.00 29.99 28.99 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 0.74 3.28 -0.68 -1.41 0.00 -1.10 0.31 119.26 120.40 1di0 h ALA 24 Ca -0.38 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1di0 h ALA 24 Cb 1.27 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1di0 h ALA 24 CO 0.45 -1.76 0.45 0.38 0.00 0.00 0.00 179.25 178.76 1di0 h ASP 25 N 0.04 0.65 0.00 0.00 3.04 -1.89 0.37 116.42 118.63 1di0 h ASP 25 Ca 0.75 -0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 54.46 1di0 h ASP 25 Cb 2.84 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 40.98 1di0 h ASP 25 CO -0.10 0.44 -0.42 0.40 -2.04 0.00 0.00 179.24 177.51 1di0 h ILE 26 N 0.75 1.51 -0.84 4.15 2.04 -0.76 -3.35 117.51 121.01 1di0 h ILE 26 Ca 0.28 -2.30 0.12 0.00 1.00 0.00 0.00 64.86 63.96 1di0 h ILE 26 Cb 0.17 3.01 -0.06 0.00 -0.74 0.00 0.00 36.82 39.20 1di0 h ILE 26 CO -0.09 0.51 0.54 0.58 0.00 0.00 0.00 178.15 179.70 1di0 h VAL 27 N -0.99 0.90 -0.98 1.67 2.07 -1.29 -0.62 116.25 117.01 1di0 h VAL 27 Ca -0.12 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.29 1di0 h VAL 27 Cb 1.11 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1di0 h VAL 27 CO -0.07 0.13 0.62 0.44 0.02 0.00 0.00 177.57 178.71 1di0 h ASP 28 N 0.71 0.86 -0.90 0.57 3.45 -0.41 -1.33 116.42 119.37 1di0 h ASP 28 Ca 0.40 0.05 0.15 0.00 0.43 0.00 0.00 57.03 58.07 1di0 h ASP 28 Cb 0.57 -0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 39.15 1di0 h ASP 28 CO -0.17 0.44 0.58 -0.08 -1.57 0.00 0.00 179.24 178.45 1di0 h GLU 29 N 0.92 0.64 -0.14 3.56 4.57 -1.23 -0.64 114.58 122.25 1di0 h GLU 29 Ca 0.49 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.47 1di0 h GLU 29 Cb 0.56 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1di0 h GLU 29 CO -0.26 0.42 -0.62 0.00 -1.18 0.00 0.00 179.01 177.37 1di0 h ALA 30 N 1.60 0.67 -0.20 2.92 0.00 -1.33 -2.77 119.26 120.16 1di0 h ALA 30 Ca 0.46 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1di0 h ALA 30 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1di0 h ALA 30 CO -0.21 0.71 -0.37 -0.09 0.00 0.00 0.00 179.25 179.29 1di0 h ARG 31 N 0.36 0.60 -0.24 0.00 2.43 -1.16 -1.55 114.38 114.82 1di0 h ARG 31 Ca -0.01 -0.38 0.04 0.00 -0.81 0.00 0.00 59.98 58.82 1di0 h ARG 31 Cb 1.17 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1di0 h ARG 31 CO 0.11 1.00 0.02 0.87 -1.51 0.00 0.00 179.97 180.45 1di0 h LYS 32 N 0.28 0.09 -0.52 0.20 1.57 -1.17 -0.17 116.57 116.85 1di0 h LYS 32 Ca 0.01 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1di0 h LYS 32 Cb 0.97 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1di0 h LYS 32 CO 0.08 0.06 0.06 1.03 -0.57 0.00 0.00 179.45 180.11 1di0 h SER 33 N 0.10 0.78 -0.19 0.86 0.87 -1.53 -1.56 113.55 112.88 1di0 h SER 33 Ca 0.11 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1di0 h SER 33 Cb 0.14 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1di0 h SER 33 CO -0.18 0.82 -0.09 0.15 -0.53 0.00 0.00 176.83 177.00 1di0 h PHE 34 N 0.78 0.45 -0.51 2.24 3.57 -0.75 -1.98 116.94 120.75 1di0 h PHE 34 Ca 0.16 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1di0 h PHE 34 Cb 0.39 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1di0 h PHE 34 CO 0.02 0.69 0.06 0.28 -2.23 0.00 0.00 178.31 177.14 1di0 h VAL 35 N 0.08 1.23 0.73 1.41 2.07 -0.76 -1.86 116.25 119.15 1di0 h VAL 35 Ca 0.04 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1di0 h VAL 35 Cb 0.57 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1di0 h VAL 35 CO 0.03 0.33 -0.35 0.00 0.02 0.00 0.00 177.57 177.60 1di0 h ALA 36 N 1.30 -1.09 -1.00 1.67 0.00 -1.25 -1.43 119.26 117.47 1di0 h ALA 36 Ca 0.16 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1di0 h ALA 36 Cb 0.37 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1di0 h ALA 36 CO 0.01 -1.01 0.63 0.93 0.00 0.00 0.00 179.25 179.81 1di0 h GLU 37 N -1.14 0.99 -0.57 0.00 4.39 -1.32 0.11 114.58 117.04 1di0 h GLU 37 Ca -0.10 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1di0 h GLU 37 Cb 0.75 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1di0 h GLU 37 CO 0.16 0.66 0.37 -0.07 -1.16 0.00 0.00 179.01 178.97 1di0 h LEU 38 N 1.02 0.67 -0.17 1.33 -0.00 -1.24 -0.60 115.31 116.32 1di0 h LEU 38 Ca 0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.33 1di0 h LEU 38 Cb 0.43 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1di0 h LEU 38 CO -0.24 0.49 0.11 0.00 -0.00 0.00 0.00 178.44 178.80 1di0 h ALA 39 N 1.20 0.21 0.23 1.53 0.00 0.10 -1.29 119.26 121.25 1di0 h ALA 39 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1di0 h ALA 39 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1di0 h ALA 39 CO -0.04 -0.29 -0.27 0.00 0.00 0.00 0.00 179.25 178.65 1di0 h ALA 40 N 1.04 -0.54 0.00 0.00 0.00 -0.88 0.74 119.26 119.62 1di0 h ALA 40 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1di0 h ALA 40 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1di0 h ALA 40 CO -0.01 -0.84 0.00 -0.22 0.00 0.00 0.00 179.25 178.18 1di0 h LYS 41 N -0.55 0.00 0.00 0.00 1.63 -1.06 -3.30 116.57 113.28 1di0 h LYS 41 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1di0 h LYS 41 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1di0 h LYS 41 CO -0.08 0.00 0.00 0.25 -3.45 0.00 0.00 179.45 176.17 1di0 n THR 42 N -2.78 0.00 0.00 1.00 -2.24 -0.49 -5.00 114.28 104.77 1di0 n THR 42 Ca 0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1di0 n THR 42 Cb 0.27 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.13 2.11 0.00 3.38 0.00 0.25 -3.05 105.19 108.02 1di0 n GLY 43 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.76 105.19 99.15 1di0 n GLY 44 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.99 1.61 3.41 -1.17 -4.18 113.62 109.31 1di0 n SER 45 Ca 0.00 0.05 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 1di0 n SER 45 Cb 0.00 -0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.55 1.76 -0.10 -3.33 1.01 -1.26 -3.12 120.40 112.82 1di0 s VAL 46 Ca 0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.67 1di0 s VAL 46 Cb 0.10 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1di0 s VAL 46 CO 0.23 -0.09 0.14 -1.83 0.00 0.00 0.00 175.10 173.55 1di0 s GLU 47 N 1.28 3.42 -0.23 2.72 -1.05 -1.17 -4.84 118.70 118.83 1di0 s GLU 47 Ca -0.06 -0.18 -0.07 0.00 -0.15 0.00 0.00 54.97 54.51 1di0 s GLU 47 Cb -0.19 -3.16 -0.03 0.00 -0.44 0.00 0.00 34.13 30.31 1di0 s GLU 47 CO -0.06 0.76 0.05 0.08 0.95 0.00 0.00 175.26 177.03 1di0 s VAL 48 N -1.08 4.19 -0.15 1.83 1.01 -1.26 -2.31 120.40 122.63 1di0 s VAL 48 Ca 0.17 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1di0 s VAL 48 Cb -0.12 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1di0 s VAL 48 CO 0.07 0.37 0.25 -1.61 0.00 0.00 0.00 175.10 174.17 1di0 s GLU 49 N 1.41 4.08 -0.15 2.72 2.02 -0.49 -4.98 118.70 123.32 1di0 s GLU 49 Ca 0.05 0.03 -0.11 0.00 0.02 0.00 0.00 54.97 54.96 1di0 s GLU 49 Cb -0.15 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 1di0 s GLU 49 CO 0.03 0.38 0.20 0.42 0.02 0.00 0.00 175.26 176.31 1di0 s ILE 50 N 0.06 5.38 -0.09 -1.63 1.09 -1.26 -1.27 121.20 123.47 1di0 s ILE 50 Ca 0.15 0.35 0.03 0.00 -1.10 0.00 0.00 60.65 60.08 1di0 s ILE 50 Cb -0.13 -3.51 0.01 0.00 -1.06 0.00 0.00 42.46 37.77 1di0 s ILE 50 CO 0.04 0.49 -0.19 -0.36 -0.10 0.00 0.00 174.94 174.83 1di0 s PHE 51 N -0.17 2.12 0.35 3.97 0.40 0.22 -4.93 117.98 119.94 1di0 s PHE 51 Ca 0.14 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.54 1di0 s PHE 51 Cb -0.12 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1di0 s PHE 51 CO 0.03 -0.40 0.61 -0.51 0.70 0.00 0.00 175.22 175.64 1di0 s ASP 52 N 0.60 6.37 -0.22 1.36 1.01 -1.26 -1.08 116.67 123.45 1di0 s ASP 52 Ca -0.14 0.70 -0.25 0.00 0.71 0.00 0.00 52.55 53.57 1di0 s ASP 52 Cb -0.17 -2.14 0.07 0.00 1.01 0.00 0.00 42.92 41.69 1di0 s ASP 52 CO 0.05 -0.31 0.67 0.54 0.21 0.00 0.00 175.17 176.33 1di0 s VAL 53 N -2.30 0.00 0.12 -1.27 0.11 -1.07 -4.90 120.40 111.09 1di0 s VAL 53 Ca 0.44 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.19 1di0 s VAL 53 Cb -0.10 -0.95 -0.07 0.00 -1.53 0.00 0.00 36.38 33.72 1di0 s VAL 53 CO 0.35 -0.00 1.60 -0.65 -3.33 0.00 0.00 175.10 173.06 1di0 h PRO 54 N 4.74 -0.53 0.00 1.54 0.11 -1.95 -1.38 132.00 134.53 1di0 h PRO 54 Ca -0.28 0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.61 1di0 h PRO 54 Cb 1.16 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1di0 h PRO 54 CO 0.13 -0.35 -0.22 0.41 -0.21 0.00 0.00 178.00 177.75 1di0 n GLY 55 N -1.44 2.97 0.17 -0.55 0.00 -1.26 -2.94 105.19 102.14 1di0 n GLY 55 Ca -0.06 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 1.74 0.50 -0.21 4.61 0.00 -1.92 -1.44 119.26 122.54 1di0 h ALA 56 Ca -0.16 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1di0 h ALA 56 Cb 0.77 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1di0 h ALA 56 CO 0.23 -0.19 0.32 -0.92 0.00 0.00 0.00 179.25 178.69 1di0 h TYR 57 N 0.37 0.00 0.00 0.00 3.20 -1.96 -0.31 116.97 118.28 1di0 h TYR 57 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1di0 h TYR 57 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1di0 h TYR 57 CO -0.12 0.00 -0.14 0.39 -1.64 0.00 0.00 178.16 176.66 1di0 n GLU 58 N -3.49 0.20 -0.11 1.82 4.71 -0.54 -4.20 120.64 119.04 1di0 n GLU 58 Ca 0.03 0.14 -0.10 0.00 -0.01 0.00 0.00 57.16 57.22 1di0 n GLU 58 Cb 0.44 -1.71 -0.02 0.00 -1.01 0.00 0.00 31.44 29.14 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 0.00 1.19 -0.40 -3.67 2.04 -1.10 -3.12 117.51 112.45 1di0 h ILE 59 Ca 0.00 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1di0 h ILE 59 Cb 0.68 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1di0 h ILE 59 CO 0.00 0.20 0.19 -0.65 0.00 0.00 0.00 178.15 177.90 1di0 h PRO 60 N 0.38 0.39 -0.16 2.37 0.11 -1.76 -1.04 132.00 132.28 1di0 h PRO 60 Ca 0.11 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 1di0 h PRO 60 Cb 0.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1di0 h PRO 60 CO -0.01 0.26 -0.23 1.25 -0.21 0.00 0.00 178.00 179.05 1di0 h LEU 61 N 0.40 0.27 -0.16 2.35 5.85 -1.84 -1.24 115.31 120.94 1di0 h LEU 61 Ca 0.17 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1di0 h LEU 61 Cb 0.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1di0 h LEU 61 CO -0.12 0.52 0.03 -0.74 -0.34 0.00 0.00 178.44 177.79 1di0 h HIS 62 N 0.26 0.28 -0.34 1.25 2.76 -1.37 -0.52 115.15 117.47 1di0 h HIS 62 Ca 0.04 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1di0 h HIS 62 Cb 0.56 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 1di0 h HIS 62 CO 0.01 0.42 0.14 0.00 -1.30 0.00 0.00 177.93 177.21 1di0 h ALA 63 N 0.83 0.40 -0.80 5.26 0.00 -0.95 -0.70 119.26 123.30 1di0 h ALA 63 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1di0 h ALA 63 Cb 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1di0 h ALA 63 CO 0.00 -0.24 0.53 -0.22 0.00 0.00 0.00 179.25 179.32 1di0 h LYS 64 N 0.31 1.03 -0.24 0.00 3.64 -1.07 0.55 116.57 120.78 1di0 h LYS 64 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1di0 h LYS 64 Cb 0.09 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1di0 h LYS 64 CO -0.13 0.68 0.01 1.15 -2.27 0.00 0.00 179.45 178.89 1di0 h THR 65 N 1.06 1.25 -0.22 1.00 2.02 -0.63 -1.40 112.91 115.99 1di0 h THR 65 Ca 0.30 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1di0 h THR 65 Cb -0.09 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1di0 h THR 65 CO -0.08 0.28 0.04 -0.07 0.37 0.00 0.00 175.52 176.06 1di0 h LEU 66 N 0.21 0.34 -0.85 2.58 3.38 -0.89 -2.61 115.31 117.46 1di0 h LEU 66 Ca 0.07 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1di0 h LEU 66 Cb 0.40 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1di0 h LEU 66 CO 0.01 0.50 0.50 0.00 0.09 0.00 0.00 178.44 179.54 1di0 h ALA 67 N 0.85 1.21 0.00 1.53 0.00 0.16 -0.81 119.26 122.20 1di0 h ALA 67 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1di0 h ALA 67 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1di0 h ALA 67 CO 0.00 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1di0 n ARG 68 N -4.70 0.45 0.00 0.00 1.74 -0.54 -2.24 116.66 111.38 1di0 n ARG 68 Ca 0.14 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.39 1di0 n ARG 68 Cb 0.26 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 30.80 1di0 n ARG 68 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1di0 n THR 69 N -1.07 0.00 0.00 0.55 -2.24 -0.31 -4.92 114.28 106.29 1di0 n THR 69 Ca 0.11 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1di0 n THR 69 Cb 0.08 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 1.36 2.35 0.06 3.38 0.00 -0.95 -4.85 105.19 106.55 1di0 n GLY 70 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1di0 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1di0 n ARG 71 N -1.91 0.12 -4.48 1.61 1.74 -1.26 -4.85 116.66 107.62 1di0 n ARG 71 Ca 0.00 0.24 -0.27 0.00 -0.77 0.00 0.00 57.85 57.05 1di0 n ARG 71 Cb 0.00 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 29.63 1di0 n ARG 71 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1di0 s TYR 72 N -3.11 2.07 -0.46 -1.55 1.51 -1.26 -4.41 117.35 110.14 1di0 s TYR 72 Ca 0.09 -0.40 0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1di0 s TYR 72 Cb 0.12 -1.16 0.28 0.00 -0.11 0.00 0.00 41.96 41.09 1di0 s TYR 72 CO 0.43 0.22 1.36 0.00 -1.11 0.00 0.00 175.55 176.46 1di0 h ALA 73 N 4.25 0.72 -2.03 3.71 0.00 -1.19 -3.48 119.26 121.23 1di0 h ALA 73 Ca -0.47 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1di0 h ALA 73 Cb 1.17 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 1di0 h ALA 73 CO 0.41 0.00 0.41 0.00 0.00 0.00 0.00 179.25 180.06 1di0 s ALA 74 N -3.24 -1.83 0.01 0.00 0.00 -1.23 -4.39 121.76 111.08 1di0 s ALA 74 Ca 0.05 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1di0 s ALA 74 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1di0 s ALA 74 CO 0.72 -0.48 -0.16 0.42 0.00 0.00 0.00 175.76 176.26 1di0 s ILE 75 N -1.99 1.23 -0.08 0.00 1.01 -0.88 -1.71 121.20 118.79 1di0 s ILE 75 Ca -0.02 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1di0 s ILE 75 Cb -0.01 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 1di0 s ILE 75 CO -0.01 0.25 -0.22 -0.69 0.00 0.00 0.00 174.94 174.28 1di0 s VAL 76 N -0.51 1.85 -0.17 2.92 1.01 0.53 -0.63 120.40 125.40 1di0 s VAL 76 Ca 0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1di0 s VAL 76 Cb -0.07 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1di0 s VAL 76 CO 0.00 0.52 -0.12 -0.83 0.00 0.00 0.00 175.10 174.67 1di0 s GLY 77 N 0.20 1.53 -0.06 4.51 0.00 -0.48 0.61 107.32 113.62 1di0 s GLY 77 Ca -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1di0 s GLY 77 CO 0.06 0.09 -0.12 0.00 0.00 0.00 0.00 173.10 173.13 1di0 s ALA 78 N 0.89 1.24 0.17 3.20 0.00 0.42 -0.43 121.76 127.25 1di0 s ALA 78 Ca -0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 1di0 s ALA 78 Cb -0.15 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1di0 s ALA 78 CO -0.00 0.11 0.44 0.00 0.00 0.00 0.00 175.76 176.31 1di0 s ALA 79 N 0.66 -0.73 -0.16 0.00 0.00 -0.73 -1.45 121.76 119.36 1di0 s ALA 79 Ca -0.14 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1di0 s ALA 79 Cb -0.16 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1di0 s ALA 79 CO 0.04 -0.73 -0.21 0.12 0.00 0.00 0.00 175.76 174.98 1di0 s PHE 80 N -3.88 2.71 -0.29 0.00 2.19 -1.26 -2.07 117.98 115.39 1di0 s PHE 80 Ca 0.09 -1.44 0.03 0.00 0.33 0.00 0.00 56.93 55.94 1di0 s PHE 80 Cb 0.01 -1.86 0.08 0.00 -1.31 0.00 0.00 43.02 39.94 1di0 s PHE 80 CO -0.05 -0.68 -0.03 0.08 1.83 0.00 0.00 175.22 176.37 1di0 s VAL 81 N 0.99 2.13 -0.57 3.12 1.01 -0.65 -4.94 120.40 121.48 1di0 s VAL 81 Ca -0.03 -1.91 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 1di0 s VAL 81 Cb -0.15 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1di0 s VAL 81 CO -0.06 -0.30 1.13 -0.51 0.00 0.00 0.00 175.10 175.35 1di0 s ILE 82 N 1.05 4.11 0.03 2.22 -1.16 -1.26 -4.13 121.20 122.07 1di0 s ILE 82 Ca 0.01 0.73 -0.20 0.00 -0.51 0.00 0.00 60.65 60.68 1di0 s ILE 82 Cb -0.19 -4.68 -0.06 0.00 0.61 0.00 0.00 42.46 38.14 1di0 s ILE 82 CO -0.07 -1.29 0.59 -0.62 -2.81 0.00 0.00 174.94 170.73 1di0 s ASP 83 N 2.94 7.02 0.00 4.50 3.68 -1.26 -4.84 116.67 128.71 1di0 s ASP 83 Ca 0.39 1.21 0.00 0.00 2.13 0.00 0.00 52.55 56.29 1di0 s ASP 83 Cb -0.09 -2.36 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 1di0 s ASP 83 CO 0.24 0.18 0.00 0.61 0.13 0.00 0.00 175.17 176.33 1di0 n GLY 84 N 2.12 2.68 0.00 2.66 0.00 -1.26 -4.33 105.19 107.05 1di0 n GLY 84 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 1.30 0.55 0.28 -0.02 0.00 -1.26 -4.86 105.19 101.18 1di0 n GLY 85 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 1.18 -3.34 -0.61 1.08 -2.02 -3.42 117.51 110.38 1di0 h ILE 86 Ca 0.00 -0.66 -0.58 0.00 -0.39 0.00 0.00 64.86 63.23 1di0 h ILE 86 Cb 0.00 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 34.48 1di0 h ILE 86 CO 0.00 0.24 -0.11 -0.31 -0.69 0.00 0.00 178.15 177.28 1di0 s TYR 87 N -5.12 3.51 0.04 1.37 1.51 -1.26 -5.07 117.35 112.33 1di0 s TYR 87 Ca -0.08 0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 56.60 1di0 s TYR 87 Cb 0.16 -2.59 -0.07 0.00 -0.11 0.00 0.00 41.96 39.35 1di0 s TYR 87 CO 0.76 0.14 1.61 0.34 -1.11 0.00 0.00 175.55 177.29 1di0 s ASP 88 N 0.68 6.66 0.00 2.29 -1.08 -1.26 -4.12 116.67 119.83 1di0 s ASP 88 Ca 0.27 2.38 0.00 0.00 -0.52 0.00 0.00 52.55 54.68 1di0 s ASP 88 Cb -0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1di0 s ASP 88 CO 0.11 -0.86 0.52 1.41 0.52 0.00 0.00 175.17 176.87 1di0 n HIS 89 N 5.81 0.00 0.13 -5.34 8.25 -1.26 -4.71 115.22 118.09 1di0 n HIS 89 Ca 0.16 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1di0 n HIS 89 Cb 0.41 -0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.83 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 0.16 -0.46 0.41 -0.00 -1.94 -3.04 116.42 111.56 1di0 h ASP 90 Ca 0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 57.03 57.06 1di0 h ASP 90 Cb 0.03 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 39.24 1di0 h ASP 90 CO 0.00 0.49 0.03 -0.26 -0.00 0.00 0.00 179.24 179.50 1di0 h PHE 91 N 0.14 0.02 -0.29 4.15 0.05 -1.99 0.12 116.94 119.15 1di0 h PHE 91 Ca 0.02 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 1di0 h PHE 91 Cb 0.66 0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.66 1di0 h PHE 91 CO 0.01 -0.07 0.07 0.28 -0.18 0.00 0.00 178.31 178.41 1di0 h VAL 92 N 0.14 1.22 -0.67 -0.55 2.07 -1.89 -1.55 116.25 115.02 1di0 h VAL 92 Ca 0.23 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 67.11 1di0 h VAL 92 Cb 0.33 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1di0 h VAL 92 CO -0.36 0.24 0.32 0.00 0.02 0.00 0.00 177.57 177.79 1di0 h ALA 93 N 0.90 0.91 -0.63 1.67 0.00 -1.25 -0.65 119.26 120.20 1di0 h ALA 93 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1di0 h ALA 93 Cb 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1di0 h ALA 93 CO 0.00 -0.07 0.33 1.15 0.00 0.00 0.00 179.25 180.67 1di0 h THR 94 N 0.57 1.21 -0.04 0.00 2.02 -0.66 -0.28 112.91 115.72 1di0 h THR 94 Ca 0.33 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1di0 h THR 94 Cb 0.34 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1di0 h THR 94 CO -0.26 0.23 -0.32 0.00 0.37 0.00 0.00 175.52 175.54 1di0 h ALA 95 N 1.16 1.41 0.22 6.16 0.00 -0.33 -2.25 119.26 125.62 1di0 h ALA 95 Ca 0.22 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1di0 h ALA 95 Cb 0.07 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1di0 h ALA 95 CO -0.03 0.43 -1.42 0.28 0.00 0.00 0.00 179.25 178.51 1di0 h VAL 96 N 0.06 1.24 -0.01 0.00 2.07 -0.86 -0.47 116.25 118.28 1di0 h VAL 96 Ca 0.01 -2.62 -0.14 0.00 0.82 0.00 0.00 66.70 64.77 1di0 h VAL 96 Cb 0.59 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1di0 h VAL 96 CO 0.04 0.80 -0.67 0.40 0.02 0.00 0.00 177.57 178.16 1di0 h ILE 97 N 0.02 1.47 -0.05 4.57 2.04 -0.97 -1.46 117.51 123.12 1di0 h ILE 97 Ca -0.26 -2.26 -0.23 0.00 1.00 0.00 0.00 64.86 63.11 1di0 h ILE 97 Cb 2.05 2.22 0.01 0.00 -0.74 0.00 0.00 36.82 40.35 1di0 h ILE 97 CO 0.23 0.65 -0.90 0.78 0.00 0.00 0.00 178.15 178.91 1di0 h ASN 98 N 0.02 0.77 -0.83 1.72 -0.26 -1.50 -3.07 115.58 112.43 1di0 h ASN 98 Ca -0.01 -0.57 -0.03 0.00 -0.56 0.00 0.00 56.30 55.14 1di0 h ASN 98 Cb 1.18 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 38.17 1di0 h ASN 98 CO 0.09 1.36 0.41 1.23 -1.06 0.00 0.00 177.43 179.46 1di0 h GLY 99 N 0.78 1.28 1.00 2.83 0.00 -0.68 -0.85 103.07 107.43 1di0 h GLY 99 Ca -0.08 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1di0 h GLY 99 CO 0.17 0.60 -0.01 -0.33 0.00 0.00 0.00 176.54 176.97 1di0 h MET 100 N 1.18 0.85 -0.44 4.80 2.86 -1.36 -1.19 114.93 121.64 1di0 h MET 100 Ca 0.29 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1di0 h MET 100 Cb 0.10 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1di0 h MET 100 CO -0.04 0.90 0.19 1.98 1.06 0.00 0.00 176.91 181.00 1di0 h MET 101 N 0.71 0.37 -0.74 1.72 -1.53 -1.32 -1.63 114.93 112.51 1di0 h MET 101 Ca 0.14 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.37 1di0 h MET 101 Cb 0.52 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.45 1di0 h MET 101 CO 0.03 0.25 0.44 0.37 0.14 0.00 0.00 176.91 178.13 1di0 h GLN 102 N 0.39 1.00 -0.37 0.39 4.15 -0.88 -1.89 115.11 117.89 1di0 h GLN 102 Ca 0.20 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.39 1di0 h GLN 102 Cb 0.14 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1di0 h GLN 102 CO -0.17 0.70 -0.32 0.28 -1.93 0.00 0.00 178.83 177.40 1di0 h VAL 103 N 1.02 1.28 0.00 2.39 2.07 -0.67 -2.65 116.25 119.69 1di0 h VAL 103 Ca 0.27 -1.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1di0 h VAL 103 Cb -0.04 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1di0 h VAL 103 CO -0.05 0.49 -0.54 0.06 0.02 0.00 0.00 177.57 177.55 1di0 h GLN 104 N 0.66 0.00 -0.02 1.57 3.07 -1.01 0.89 115.11 120.27 1di0 h GLN 104 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.68 1di0 h GLN 104 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.44 1di0 h GLN 104 CO 0.08 0.54 -0.57 -0.07 0.09 0.00 0.00 178.83 178.90 1di0 h LEU 105 N 0.00 0.08 0.10 0.06 3.38 -1.25 0.40 115.31 118.07 1di0 h LEU 105 Ca -0.01 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 1di0 h LEU 105 Cb 1.01 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1di0 h LEU 105 CO 0.07 0.63 -1.64 -0.08 0.09 0.00 0.00 178.44 177.51 1di0 h GLU 106 N 0.05 0.21 0.00 1.13 4.81 -1.10 -3.34 114.58 116.34 1di0 h GLU 106 Ca -0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1di0 h GLU 106 Cb 1.03 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1di0 h GLU 106 CO 0.08 1.03 -1.37 0.25 -0.73 0.00 0.00 179.01 178.27 1di0 n THR 107 N -3.39 0.00 -2.15 0.32 -2.24 0.27 -4.98 114.28 102.11 1di0 n THR 107 Ca -0.19 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.18 1di0 n THR 107 Cb 1.04 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.78 -1.61 -4.26 -0.78 1.02 0.14 -4.99 120.64 108.37 1di0 n GLU 108 Ca 0.01 1.09 -0.34 0.00 -0.02 0.00 0.00 57.16 57.89 1di0 n GLU 108 Cb 0.41 -5.67 -0.13 0.00 -0.02 0.00 0.00 31.44 26.04 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 -2.96 3.77 0.24 2.62 1.01 -1.25 -5.07 120.40 118.76 1di0 s VAL 109 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 1di0 s VAL 109 Cb 0.00 -2.67 -0.13 0.00 0.00 0.00 0.00 36.38 33.58 1di0 s VAL 109 CO 0.00 0.46 1.48 -2.65 0.00 0.00 0.00 175.10 174.39 1di0 n PRO 110 N 3.94 2.19 -4.09 2.72 -0.02 -1.26 -4.48 135.00 134.00 1di0 n PRO 110 Ca -0.17 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 1di0 n PRO 110 Cb 0.52 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.14 2.15 0.02 -1.45 1.01 -1.26 -2.07 120.40 118.94 1di0 s VAL 111 Ca 0.69 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1di0 s VAL 111 Cb -0.62 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1di0 s VAL 111 CO 0.47 0.28 0.33 -0.76 0.00 0.00 0.00 175.10 175.42 1di0 s LEU 112 N 1.21 4.39 -0.18 3.92 1.02 0.20 -4.93 118.68 124.31 1di0 s LEU 112 Ca -0.01 0.73 -0.07 0.00 0.02 0.00 0.00 54.13 54.79 1di0 s LEU 112 Cb -0.16 -2.70 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 1di0 s LEU 112 CO -0.09 0.26 0.05 -0.55 0.02 0.00 0.00 176.35 176.04 1di0 s SER 113 N -1.51 5.58 -0.31 2.29 0.15 -1.26 -1.38 113.70 117.25 1di0 s SER 113 Ca 0.27 0.08 0.16 0.00 0.70 0.00 0.00 55.95 57.17 1di0 s SER 113 Cb -0.14 -1.94 0.47 0.00 -1.71 0.00 0.00 66.02 62.70 1di0 s SER 113 CO 0.15 0.19 1.06 0.52 1.20 0.00 0.00 173.24 176.35 1di0 n VAL 114 N 3.45 1.48 -3.65 4.45 0.31 0.43 -4.96 118.33 119.84 1di0 n VAL 114 Ca -0.17 -3.42 -0.39 0.00 -0.01 0.00 0.00 64.34 60.35 1di0 n VAL 114 Cb 0.52 0.39 -0.10 0.00 -0.91 0.00 0.00 33.84 33.74 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 -3.89 3.98 -0.10 2.52 1.01 -1.24 -1.77 120.40 120.91 1di0 s VAL 115 Ca 0.33 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 1di0 s VAL 115 Cb 0.40 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1di0 s VAL 115 CO -0.02 -0.56 0.05 -0.76 0.00 0.00 0.00 175.10 173.81 1di0 s LEU 116 N 1.35 3.86 -0.30 3.92 2.01 -0.88 -4.91 118.68 123.73 1di0 s LEU 116 Ca 0.04 0.25 -0.00 0.00 0.01 0.00 0.00 54.13 54.43 1di0 s LEU 116 Cb -0.23 -1.91 0.10 0.00 0.01 0.00 0.00 46.19 44.16 1di0 s LEU 116 CO 0.00 0.38 0.08 -0.89 1.01 0.00 0.00 176.35 176.94 1di0 s THR 117 N -0.90 1.04 0.65 5.49 2.01 -1.26 -1.63 115.64 121.03 1di0 s THR 117 Ca 0.14 -1.46 -0.14 0.00 0.31 0.00 0.00 61.69 60.54 1di0 s THR 117 Cb -0.12 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1di0 s THR 117 CO 0.03 -0.62 1.08 -2.16 -0.69 0.00 0.00 174.62 172.26 1di0 s PRO 118 N 1.54 2.97 0.52 4.92 0.04 -1.26 -4.96 135.00 138.77 1di0 s PRO 118 Ca 0.09 1.24 0.17 0.00 0.04 0.00 0.00 61.00 62.53 1di0 s PRO 118 Cb -0.17 -1.98 1.29 0.00 0.04 0.00 0.00 34.50 33.67 1di0 s PRO 118 CO -0.22 -1.10 2.14 0.45 0.04 0.00 0.00 177.00 178.32 1di0 h HIS 119 N -0.02 0.00 0.00 0.56 3.86 -1.96 -3.37 115.15 114.22 1di0 h HIS 119 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 1di0 h HIS 119 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1di0 h HIS 119 CO 0.57 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.94 1di0 n HIS 120 N -4.52 0.00 -1.20 2.45 -0.00 -1.26 -4.90 115.22 105.78 1di0 n HIS 120 Ca -0.02 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.87 1di0 n HIS 120 Cb 0.13 0.00 0.18 0.00 -0.12 0.00 0.00 29.99 30.18 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 2.05 -0.49 1.57 -0.71 -1.26 -5.06 117.98 114.07 1di0 s PHE 121 Ca 0.00 0.92 0.06 0.00 -1.04 0.00 0.00 56.93 56.88 1di0 s PHE 121 Cb 0.00 -3.30 0.19 0.00 -1.21 0.00 0.00 43.02 38.70 1di0 s PHE 121 CO 0.00 -2.94 0.64 1.58 -1.34 0.00 0.00 175.22 173.16 1di0 n HIS 121 N -4.19 -2.97 0.00 3.49 -0.00 -1.26 -5.07 115.22 105.21 1di0 n HIS 121 Ca 0.06 -1.95 0.00 0.00 0.46 0.00 0.00 57.72 56.29 1di0 n HIS 121 Cb 0.58 1.13 0.00 0.00 -0.12 0.00 0.00 29.99 31.58 1di0 n HIS 121 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1di0 n GLU 121 N 2.75 0.00 0.00 1.57 -0.00 -1.26 -4.91 120.64 118.79 1di0 n GLU 121 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1di0 n GLU 121 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 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 -0.14 -1.84 2.88 -1.26 -4.66 113.62 108.60 1di0 n SER 121 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1di0 n SER 121 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.59 0.01 0.29 -1.46 0.00 -1.26 0.16 118.16 116.50 1di0 n LYS 122 Ca 0.00 0.63 -0.18 0.00 -0.00 0.00 0.00 58.31 58.75 1di0 n LYS 122 Cb 0.00 -1.55 -0.10 0.00 -0.00 0.00 0.00 35.03 33.38 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 -0.96 0.08 -1.58 4.39 -1.98 -3.02 114.58 111.50 1di0 h GLU 123 Ca 0.31 0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.94 1di0 h GLU 123 Cb 1.81 0.22 0.01 0.00 -0.10 0.00 0.00 28.75 30.69 1di0 h GLU 123 CO -0.00 -0.64 -0.61 0.45 -1.16 0.00 0.00 179.01 177.05 1di0 h HIS 124 N -1.00 0.31 -1.13 4.33 3.86 0.14 -3.31 115.15 118.34 1di0 h HIS 124 Ca -0.06 -0.23 0.32 0.00 -1.16 0.00 0.00 60.37 59.24 1di0 h HIS 124 Cb 0.87 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 1di0 h HIS 124 CO -0.26 1.23 0.76 1.25 0.86 0.00 0.00 177.93 181.78 1di0 h HIS 125 N -0.62 0.39 0.00 2.45 2.76 -1.49 1.56 115.15 120.19 1di0 h HIS 125 Ca -0.12 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 57.99 1di0 h HIS 125 Cb 1.41 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 1di0 h HIS 125 CO 0.21 0.01 -0.61 -0.44 -1.30 0.00 0.00 177.93 175.80 1di0 h ASP 126 N 0.21 0.00 0.54 3.26 3.32 -1.67 -2.49 116.42 119.58 1di0 h ASP 126 Ca 0.61 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.63 1di0 h ASP 126 Cb 1.92 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.48 1di0 h ASP 126 CO -0.20 0.32 -0.26 0.15 -1.72 0.00 0.00 179.24 177.54 1di0 h PHE 127 N 0.00 -0.67 -0.13 4.55 3.57 0.20 -2.09 116.94 122.37 1di0 h PHE 127 Ca -0.03 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1di0 h PHE 127 Cb 1.27 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 1di0 h PHE 127 CO 0.00 -0.37 0.09 0.74 -2.23 0.00 0.00 178.31 176.54 1di0 h PHE 128 N -1.13 0.04 -0.03 0.41 -1.00 -0.98 0.82 116.94 115.07 1di0 h PHE 128 Ca -0.07 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.55 1di0 h PHE 128 Cb 0.59 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1di0 h PHE 128 CO 0.01 0.02 -0.68 0.45 -1.61 0.00 0.00 178.31 176.50 1di0 h HIS 129 N 0.04 0.19 0.25 -0.55 3.86 -1.43 -1.82 115.15 115.69 1di0 h HIS 129 Ca 0.06 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1di0 h HIS 129 Cb 0.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1di0 h HIS 129 CO -0.00 0.77 -0.12 0.00 0.86 0.00 0.00 177.93 179.45 1di0 h ALA 130 N 1.20 -0.33 -0.48 2.45 0.00 -0.37 -2.84 119.26 118.89 1di0 h ALA 130 Ca -0.01 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1di0 h ALA 130 Cb 1.20 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1di0 h ALA 130 CO 0.10 -0.41 -0.09 1.25 0.00 0.00 0.00 179.25 180.10 1di0 h HIS 131 N -0.88 -0.19 -0.29 0.00 6.17 -0.91 -0.36 115.15 118.69 1di0 h HIS 131 Ca -0.03 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1di0 h HIS 131 Cb 0.51 0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.58 1di0 h HIS 131 CO 0.05 -0.18 0.19 0.74 0.71 0.00 0.00 177.93 179.44 1di0 h PHE 132 N 0.03 0.37 -0.62 5.26 -1.00 -1.41 -0.77 116.94 118.80 1di0 h PHE 132 Ca 0.24 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.95 1di0 h PHE 132 Cb 0.36 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 1di0 h PHE 132 CO -0.38 0.24 0.09 -0.22 -1.61 0.00 0.00 178.31 176.42 1di0 h LYS 133 N 0.40 1.02 -0.00 1.51 3.64 -0.82 -1.45 116.57 120.87 1di0 h LYS 133 Ca 0.11 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1di0 h LYS 133 Cb -0.04 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1di0 h LYS 133 CO -0.02 0.94 -0.00 0.28 -2.27 0.00 0.00 179.45 178.38 1di0 h VAL 134 N 0.95 1.25 -0.03 2.00 2.07 -0.76 -2.76 116.25 118.97 1di0 h VAL 134 Ca 0.19 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1di0 h VAL 134 Cb 0.43 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1di0 h VAL 134 CO 0.01 0.19 0.03 0.11 0.02 0.00 0.00 177.57 177.93 1di0 h LYS 135 N -0.31 0.00 -0.36 1.57 1.79 -1.06 -0.39 116.57 117.81 1di0 h LYS 135 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1di0 h LYS 135 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1di0 h LYS 135 CO 0.00 0.00 -0.33 0.78 -1.08 0.00 0.00 179.45 178.82 1di0 h GLY 136 N 0.00 0.88 0.92 3.86 0.00 -0.98 -1.41 103.07 106.34 1di0 h GLY 136 Ca 0.01 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 1di0 h GLY 136 CO -0.00 0.76 -0.21 -2.08 0.00 0.00 0.00 176.54 175.02 1di0 h VAL 137 N 0.68 1.30 -0.83 4.60 2.07 -0.89 -2.60 116.25 120.59 1di0 h VAL 137 Ca 0.07 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1di0 h VAL 137 Cb 0.88 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1di0 h VAL 137 CO 0.08 0.43 0.40 -0.33 0.02 0.00 0.00 177.57 178.17 1di0 h GLU 138 N 0.37 1.18 -0.55 1.57 5.08 -1.30 -1.73 114.58 119.20 1di0 h GLU 138 Ca 0.05 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1di0 h GLU 138 Cb 0.75 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1di0 h GLU 138 CO 0.05 0.90 0.18 0.00 -1.00 0.00 0.00 179.01 179.15 1di0 h ALA 139 N 1.26 1.28 -0.51 3.43 0.00 -1.17 -0.22 119.26 123.32 1di0 h ALA 139 Ca 0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1di0 h ALA 139 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1di0 h ALA 139 CO -0.04 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.62 1di0 h ALA 140 N 1.39 0.71 -0.49 0.00 0.00 -0.93 -0.14 119.26 119.80 1di0 h ALA 140 Ca 0.19 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1di0 h ALA 140 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1di0 h ALA 140 CO -0.01 0.62 0.07 0.45 0.00 0.00 0.00 179.25 180.38 1di0 h HIS 141 N 0.85 0.87 0.10 0.00 -0.00 -0.98 -2.10 115.15 113.89 1di0 h HIS 141 Ca 0.13 -0.13 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1di0 h HIS 141 Cb 0.68 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1di0 h HIS 141 CO 0.05 0.80 -0.11 0.00 -0.00 0.00 0.00 177.93 178.67 1di0 h ALA 142 N 0.96 -0.21 -0.61 2.45 0.00 -0.81 -1.24 119.26 119.79 1di0 h ALA 142 Ca 0.15 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1di0 h ALA 142 Cb 0.41 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1di0 h ALA 142 CO 0.01 -0.64 0.12 0.00 0.00 0.00 0.00 179.25 178.74 1di0 h ALA 143 N 0.64 0.72 -0.13 0.00 0.00 -0.87 0.34 119.26 119.95 1di0 h ALA 143 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1di0 h ALA 143 Cb 0.24 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1di0 h ALA 143 CO -0.04 -0.32 -0.01 -0.07 0.00 0.00 0.00 179.25 178.81 1di0 h LEU 144 N 0.24 0.24 -0.84 0.00 3.38 -1.22 -1.61 115.31 115.50 1di0 h LEU 144 Ca 0.32 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1di0 h LEU 144 Cb 0.50 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1di0 h LEU 144 CO -0.43 0.50 0.10 -0.61 0.09 0.00 0.00 178.44 178.09 1di0 h GLN 145 N -0.04 0.97 -0.03 1.13 4.15 -0.66 -2.01 115.11 118.62 1di0 h GLN 145 Ca 0.04 -0.24 -0.18 0.00 0.77 0.00 0.00 58.65 59.04 1di0 h GLN 145 Cb 0.38 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1di0 h GLN 145 CO 0.01 0.89 -0.78 0.97 -1.93 0.00 0.00 178.83 177.99 1di0 h ILE 146 N 0.92 1.43 -0.45 2.39 6.09 -0.24 -0.71 117.51 126.94 1di0 h ILE 146 Ca 0.19 -2.33 -0.13 0.00 -1.37 0.00 0.00 64.86 61.22 1di0 h ILE 146 Cb 0.39 2.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.93 1di0 h ILE 146 CO 0.01 0.69 -0.22 0.58 -3.07 0.00 0.00 178.15 176.13 1di0 h VAL 147 N 0.18 1.27 -0.20 2.19 2.07 -1.09 -0.50 116.25 120.17 1di0 h VAL 147 Ca -0.03 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1di0 h VAL 147 Cb 1.36 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1di0 h VAL 147 CO 0.12 0.47 -0.07 -1.28 0.02 0.00 0.00 177.57 176.83 1di0 h SER 148 N 0.79 0.41 -0.66 0.57 0.87 -1.29 -2.36 113.55 111.88 1di0 h SER 148 Ca 0.10 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 1di0 h SER 148 Cb 0.77 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1di0 h SER 148 CO 0.06 0.71 0.31 -0.08 -0.53 0.00 0.00 176.83 177.31 1di0 h GLU 149 N 0.11 0.98 -0.16 2.24 4.57 -0.86 -2.57 114.58 118.89 1di0 h GLU 149 Ca 0.05 -0.14 -0.11 0.00 -1.18 0.00 0.00 59.36 57.98 1di0 h GLU 149 Cb 0.54 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1di0 h GLU 149 CO 0.02 0.76 -0.38 0.00 -1.18 0.00 0.00 179.01 178.23 1di0 h ARG 150 N 0.97 0.35 0.00 1.92 3.08 -0.92 -2.66 114.38 117.12 1di0 h ARG 150 Ca 0.23 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1di0 h ARG 150 Cb 0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1di0 h ARG 150 CO -0.03 0.69 -0.03 0.66 -1.07 0.00 0.00 179.97 180.18 1di0 h SER 151 N 0.30 0.00 0.22 7.04 4.64 -1.03 -1.05 113.55 123.66 1di0 h SER 151 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1di0 h SER 151 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1di0 h SER 151 CO 0.06 0.03 -0.11 0.03 -0.87 0.00 0.00 176.83 175.98 1di0 h ARG 152 N 0.00 -0.29 0.00 4.77 3.08 -1.24 -3.27 114.38 117.43 1di0 h ARG 152 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1di0 h ARG 152 Cb 0.69 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1di0 h ARG 152 CO 0.00 -0.19 0.00 -0.89 -1.07 0.00 0.00 179.97 177.82 1di0 n ILE 153 N -3.61 0.00 0.00 2.04 5.41 -1.04 -2.65 119.36 119.51 1di0 n ILE 153 Ca -0.04 0.78 0.00 0.00 1.00 0.00 0.00 62.75 64.49 1di0 n ILE 153 Cb 0.12 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 1di0 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1di0 n ALA 154 N -1.88 0.00 1.04 -1.39 0.00 -0.41 -5.11 120.51 112.76 1di0 n ALA 154 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1di0 n ALA 154 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1di0 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50