#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 2.63 0.27 8.00 0.15 -1.26 -4.35 113.70 119.14 1di0 s SER 12 Ca 0.00 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 1di0 s SER 12 Cb 0.00 -0.71 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 1di0 s SER 12 CO 0.00 -0.23 0.56 0.72 1.20 0.00 0.00 173.24 175.49 1di0 s PHE 13 N 1.77 0.25 0.10 3.44 -0.12 -1.23 -5.03 117.98 117.16 1di0 s PHE 13 Ca 0.01 -0.64 0.05 0.00 -0.05 0.00 0.00 56.93 56.30 1di0 s PHE 13 Cb -0.15 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1di0 s PHE 13 CO -0.07 -1.10 -0.01 0.15 -0.05 0.00 0.00 175.22 174.14 1di0 s LYS 14 N -3.84 2.48 -0.10 1.99 1.02 -1.26 -2.97 119.74 117.06 1di0 s LYS 14 Ca 0.20 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.33 1di0 s LYS 14 Cb -0.02 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1di0 s LYS 14 CO 0.09 0.53 -0.21 0.42 -0.92 0.00 0.00 175.35 175.26 1di0 s ILE 15 N -1.34 1.82 -0.19 2.17 1.01 -0.78 -0.70 121.20 123.19 1di0 s ILE 15 Ca 0.25 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 1di0 s ILE 15 Cb -0.11 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1di0 s ILE 15 CO 0.18 0.51 0.52 0.00 0.00 0.00 0.00 174.94 176.14 1di0 s ALA 16 N 0.52 3.53 -0.28 9.38 0.00 -0.82 -1.19 121.76 132.90 1di0 s ALA 16 Ca -0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 1di0 s ALA 16 Cb -0.17 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1di0 s ALA 16 CO 0.06 -0.38 0.01 0.12 0.00 0.00 0.00 175.76 175.57 1di0 s PHE 17 N 1.49 3.13 -0.43 0.00 5.36 0.43 -0.62 117.98 127.35 1di0 s PHE 17 Ca 0.25 -1.35 -0.14 0.00 -0.96 0.00 0.00 56.93 54.72 1di0 s PHE 17 Cb -0.15 -2.15 0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1di0 s PHE 17 CO 0.10 -0.68 0.32 0.42 -1.46 0.00 0.00 175.22 173.92 1di0 s ILE 18 N 1.39 5.03 -0.08 3.12 1.01 0.11 -0.11 121.20 131.68 1di0 s ILE 18 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1di0 s ILE 18 Cb -0.17 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1di0 s ILE 18 CO -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 174.94 174.39 1di0 s GLN 19 N 1.62 2.84 0.30 2.79 -2.07 -0.68 -0.64 119.66 123.81 1di0 s GLN 19 Ca 0.04 -0.66 -0.25 0.00 -1.82 0.00 0.00 55.36 52.67 1di0 s GLN 19 Cb -0.21 -2.51 -0.09 0.00 -1.09 0.00 0.00 33.01 29.10 1di0 s GLN 19 CO 0.07 0.50 0.90 0.00 -1.32 0.00 0.00 175.29 175.44 1di0 s ALA 20 N -0.40 3.26 -0.97 2.60 0.00 -0.58 -2.14 121.76 123.53 1di0 s ALA 20 Ca 0.05 0.46 0.24 0.00 0.00 0.00 0.00 51.96 52.71 1di0 s ALA 20 Cb -0.12 -3.11 0.41 0.00 0.00 0.00 0.00 23.12 20.29 1di0 s ALA 20 CO 0.02 0.21 1.34 0.54 0.00 0.00 0.00 175.76 177.87 1di0 n ARG 21 N 0.66 0.03 -2.11 0.00 5.12 -0.32 -4.57 116.66 115.46 1di0 n ARG 21 Ca 0.01 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.51 1di0 n ARG 21 Cb 0.50 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 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 -3.02 3.20 -1.35 -1.55 -0.00 -1.16 -1.15 118.94 113.92 1di0 s TRP 22 Ca 0.10 0.87 -0.02 0.00 -0.00 0.00 0.00 56.10 57.05 1di0 s TRP 22 Cb 0.17 -3.74 0.00 0.00 -0.00 0.00 0.00 33.47 29.90 1di0 s TRP 22 CO 0.72 -2.63 0.32 0.72 -0.00 0.00 0.00 176.95 176.08 1di0 n HIS 23 N 3.98 -1.33 -0.29 5.86 8.25 -1.26 -4.63 115.22 125.79 1di0 n HIS 23 Ca 0.12 0.28 0.33 0.00 -0.26 0.00 0.00 57.72 58.18 1di0 n HIS 23 Cb 0.41 -3.72 0.72 0.00 1.12 0.00 0.00 29.99 28.52 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 2.98 -0.83 -1.41 0.00 -1.38 -0.71 119.26 118.74 1di0 h ALA 24 Ca -0.43 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1di0 h ALA 24 Cb 1.30 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1di0 h ALA 24 CO 0.47 -1.31 0.54 0.38 0.00 0.00 0.00 179.25 179.33 1di0 h ASP 25 N 0.04 0.66 0.00 0.00 3.04 -1.89 0.98 116.42 119.24 1di0 h ASP 25 Ca 0.54 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 54.35 1di0 h ASP 25 Cb 2.08 -0.11 -0.00 0.00 -1.04 0.00 0.00 39.33 40.25 1di0 h ASP 25 CO -0.04 0.37 -0.04 0.40 -2.04 0.00 0.00 179.24 177.90 1di0 h ILE 26 N 0.72 0.10 -0.93 4.15 2.04 -1.51 -3.36 117.51 118.72 1di0 h ILE 26 Ca 0.39 -1.08 0.26 0.00 1.00 0.00 0.00 64.86 65.43 1di0 h ILE 26 Cb 0.53 0.19 -0.14 0.00 -0.74 0.00 0.00 36.82 36.66 1di0 h ILE 26 CO -0.16 0.03 0.42 0.58 0.00 0.00 0.00 178.15 179.02 1di0 h VAL 27 N -1.00 0.38 -0.87 1.67 2.07 -1.43 0.26 116.25 117.33 1di0 h VAL 27 Ca -0.00 -0.12 0.20 0.00 0.82 0.00 0.00 66.70 67.60 1di0 h VAL 27 Cb 0.09 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.81 1di0 h VAL 27 CO -0.00 0.06 0.58 0.44 0.02 0.00 0.00 177.57 178.67 1di0 h ASP 28 N 0.34 0.35 -0.97 0.57 3.45 -0.95 0.79 116.42 120.00 1di0 h ASP 28 Ca 0.62 0.03 0.05 0.00 0.43 0.00 0.00 57.03 58.16 1di0 h ASP 28 Cb 1.27 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.95 1di0 h ASP 28 CO -0.58 0.15 0.63 -0.08 -1.57 0.00 0.00 179.24 177.78 1di0 h GLU 29 N 0.35 1.16 -0.44 3.56 4.57 -0.62 -0.80 114.58 122.37 1di0 h GLU 29 Ca 0.45 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.41 1di0 h GLU 29 Cb 1.18 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 1di0 h GLU 29 CO -0.15 0.77 -0.28 0.00 -1.18 0.00 0.00 179.01 178.17 1di0 h ALA 30 N 1.42 0.66 -0.55 2.92 0.00 -0.91 -2.23 119.26 120.57 1di0 h ALA 30 Ca 0.40 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1di0 h ALA 30 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1di0 h ALA 30 CO -0.14 0.68 -0.00 -0.09 0.00 0.00 0.00 179.25 179.69 1di0 h ARG 31 N 0.81 0.97 -0.37 0.00 2.43 -1.13 -0.03 114.38 117.06 1di0 h ARG 31 Ca 0.09 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1di0 h ARG 31 Cb 0.87 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 1di0 h ARG 31 CO 0.08 0.98 0.16 0.87 -1.51 0.00 0.00 179.97 180.54 1di0 h LYS 32 N 0.85 0.32 -0.59 0.20 1.57 -1.09 0.10 116.57 117.94 1di0 h LYS 32 Ca 0.15 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1di0 h LYS 32 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1di0 h LYS 32 CO 0.03 0.21 0.07 1.03 -0.57 0.00 0.00 179.45 180.22 1di0 h SER 33 N 0.33 0.96 -0.23 0.86 0.87 -1.34 -2.46 113.55 112.54 1di0 h SER 33 Ca 0.16 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1di0 h SER 33 Cb 0.11 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1di0 h SER 33 CO -0.14 0.99 0.06 0.15 -0.53 0.00 0.00 176.83 177.36 1di0 h PHE 34 N 0.89 0.38 -0.38 2.24 3.57 -0.48 -1.27 116.94 121.90 1di0 h PHE 34 Ca 0.18 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1di0 h PHE 34 Cb 0.46 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1di0 h PHE 34 CO 0.03 0.45 0.01 0.28 -2.23 0.00 0.00 178.31 176.85 1di0 h VAL 35 N 0.20 1.21 0.57 1.41 2.07 -0.65 -2.16 116.25 118.90 1di0 h VAL 35 Ca 0.07 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1di0 h VAL 35 Cb 0.26 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1di0 h VAL 35 CO -0.00 0.29 -0.27 0.00 0.02 0.00 0.00 177.57 177.61 1di0 h ALA 36 N 1.43 -0.88 -1.00 1.67 0.00 -1.30 -1.84 119.26 117.34 1di0 h ALA 36 Ca 0.12 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1di0 h ALA 36 Cb 0.36 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1di0 h ALA 36 CO 0.01 -0.82 0.62 0.93 0.00 0.00 0.00 179.25 179.99 1di0 h GLU 37 N -1.04 0.86 -0.86 0.00 4.39 -1.22 0.16 114.58 116.87 1di0 h GLU 37 Ca -0.08 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1di0 h GLU 37 Cb 0.59 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1di0 h GLU 37 CO 0.13 0.57 0.45 -0.07 -1.16 0.00 0.00 179.01 178.93 1di0 h LEU 38 N 0.89 1.08 -0.22 1.33 3.38 -1.34 -1.23 115.31 119.21 1di0 h LEU 38 Ca 0.53 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 1di0 h LEU 38 Cb 0.66 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1di0 h LEU 38 CO -0.32 0.88 -0.03 0.00 0.09 0.00 0.00 178.44 179.06 1di0 h ALA 39 N 1.29 0.30 0.53 1.53 0.00 -0.20 -1.59 119.26 121.13 1di0 h ALA 39 Ca 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1di0 h ALA 39 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1di0 h ALA 39 CO -0.05 0.05 -0.48 0.00 0.00 0.00 0.00 179.25 178.77 1di0 h ALA 40 N 0.77 -1.11 0.00 0.00 0.00 -0.85 0.61 119.26 118.68 1di0 h ALA 40 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1di0 h ALA 40 Cb 0.46 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1di0 h ALA 40 CO 0.02 -1.16 -0.06 0.87 0.00 0.00 0.00 179.25 178.91 1di0 h LYS 41 N -1.01 0.00 0.00 0.00 6.56 -1.28 -3.31 116.57 117.53 1di0 h LYS 41 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1di0 h LYS 41 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1di0 h LYS 41 CO -0.04 0.06 0.00 0.25 -2.06 0.00 0.00 179.45 177.67 1di0 n THR 42 N -3.34 0.00 0.00 -0.16 -2.24 -0.60 -5.01 114.28 102.93 1di0 n THR 42 Ca -0.01 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1di0 n THR 42 Cb 0.23 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.05 1.88 0.00 3.38 0.00 0.21 -3.00 105.19 107.72 1di0 n GLY 43 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.01 -0.02 0.00 -1.26 -4.79 105.19 99.13 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 0.05 -4.07 1.61 3.41 -1.16 -4.23 113.62 109.23 1di0 n SER 45 Ca 0.00 0.51 -0.32 0.00 -0.26 0.00 0.00 58.87 58.80 1di0 n SER 45 Cb 0.00 -0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 63.28 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 -3.02 2.15 -0.13 -3.33 1.01 -1.26 -3.50 120.40 112.32 1di0 s VAL 46 Ca 0.07 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.36 1di0 s VAL 46 Cb 0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1di0 s VAL 46 CO 0.28 -0.02 0.14 -1.83 0.00 0.00 0.00 175.10 173.66 1di0 s GLU 47 N 1.11 3.54 -0.25 2.72 -1.05 -1.16 -4.85 118.70 118.76 1di0 s GLU 47 Ca -0.09 -0.15 -0.10 0.00 -0.15 0.00 0.00 54.97 54.49 1di0 s GLU 47 Cb -0.20 -3.21 -0.05 0.00 -0.44 0.00 0.00 34.13 30.23 1di0 s GLU 47 CO -0.05 0.71 0.15 0.08 0.95 0.00 0.00 175.26 177.09 1di0 s VAL 48 N -0.83 5.13 -0.18 1.83 1.01 -1.26 -1.87 120.40 124.23 1di0 s VAL 48 Ca 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1di0 s VAL 48 Cb -0.12 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1di0 s VAL 48 CO 0.03 0.33 0.07 -1.61 0.00 0.00 0.00 175.10 173.91 1di0 s GLU 49 N 1.29 3.97 -0.08 2.72 2.02 -0.34 -4.96 118.70 123.32 1di0 s GLU 49 Ca 0.07 -0.33 -0.12 0.00 0.02 0.00 0.00 54.97 54.60 1di0 s GLU 49 Cb -0.14 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 1di0 s GLU 49 CO 0.06 0.30 0.30 0.42 0.02 0.00 0.00 175.26 176.35 1di0 s ILE 50 N 0.31 5.25 -0.07 -1.63 1.09 -1.26 -0.43 121.20 124.47 1di0 s ILE 50 Ca 0.04 0.57 0.03 0.00 -1.10 0.00 0.00 60.65 60.18 1di0 s ILE 50 Cb -0.12 -3.60 0.01 0.00 -1.06 0.00 0.00 42.46 37.69 1di0 s ILE 50 CO 0.00 0.54 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.87 1di0 s PHE 51 N -0.63 1.67 0.19 3.97 0.40 0.85 -4.93 117.98 119.49 1di0 s PHE 51 Ca 0.19 -0.60 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1di0 s PHE 51 Cb -0.14 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.16 1di0 s PHE 51 CO 0.08 -0.28 0.43 -0.51 0.70 0.00 0.00 175.22 175.65 1di0 s ASP 52 N 0.50 6.48 -0.08 1.36 1.01 -1.26 -1.68 116.67 122.99 1di0 s ASP 52 Ca -0.13 0.62 -0.14 0.00 0.71 0.00 0.00 52.55 53.60 1di0 s ASP 52 Cb -0.15 -2.10 0.03 0.00 1.01 0.00 0.00 42.92 41.71 1di0 s ASP 52 CO 0.04 -0.03 0.36 -0.69 0.21 0.00 0.00 175.17 175.06 1di0 s VAL 53 N -1.80 0.02 0.06 -1.27 1.01 -0.91 -4.94 120.40 112.58 1di0 s VAL 53 Ca 0.42 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1di0 s VAL 53 Cb -0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 1di0 s VAL 53 CO 0.26 -0.11 1.32 -0.65 0.00 0.00 0.00 175.10 175.92 1di0 h PRO 54 N 4.73 -0.44 0.00 2.72 0.11 -1.95 -0.83 132.00 136.33 1di0 h PRO 54 Ca -0.28 0.03 -0.40 0.00 0.11 0.00 0.00 66.00 65.46 1di0 h PRO 54 Cb 1.18 0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 1di0 h PRO 54 CO 0.33 -0.29 -0.36 0.41 -0.21 0.00 0.00 178.00 177.88 1di0 n GLY 55 N -1.29 3.32 0.33 -0.55 0.00 -1.26 -2.50 105.19 103.25 1di0 n GLY 55 Ca -0.05 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 43.96 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 1.65 1.17 -0.00 4.61 0.00 -1.92 -2.20 119.26 122.55 1di0 h ALA 56 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1di0 h ALA 56 Cb 0.93 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1di0 h ALA 56 CO 0.34 0.61 0.03 -0.92 0.00 0.00 0.00 179.25 179.30 1di0 h TYR 57 N 1.04 0.00 -0.00 0.00 3.20 -1.96 -0.91 116.97 118.34 1di0 h TYR 57 Ca 0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1di0 h TYR 57 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1di0 h TYR 57 CO 0.02 0.00 -0.16 0.39 -1.64 0.00 0.00 178.16 176.76 1di0 n GLU 58 N -3.20 0.71 -0.03 1.82 4.71 -0.83 -4.44 120.64 119.38 1di0 n GLU 58 Ca -0.03 -0.31 -0.13 0.00 -0.01 0.00 0.00 57.16 56.67 1di0 n GLU 58 Cb 0.10 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 28.94 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 0.77 1.40 -0.70 -3.67 2.04 -1.25 -3.21 117.51 112.89 1di0 h ILE 59 Ca 0.00 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.53 1di0 h ILE 59 Cb 0.41 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.61 1di0 h ILE 59 CO 0.00 0.38 0.43 -0.65 0.00 0.00 0.00 178.15 178.31 1di0 h PRO 60 N -0.29 0.80 -0.38 2.37 0.11 -1.78 -0.79 132.00 132.05 1di0 h PRO 60 Ca 0.01 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1di0 h PRO 60 Cb 0.66 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1di0 h PRO 60 CO 0.02 0.53 -0.07 1.25 -0.21 0.00 0.00 178.00 179.53 1di0 h LEU 61 N 0.83 0.61 -0.07 2.35 5.85 -1.87 0.59 115.31 123.60 1di0 h LEU 61 Ca 0.29 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1di0 h LEU 61 Cb 0.05 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1di0 h LEU 61 CO -0.12 0.72 0.01 -0.74 -0.34 0.00 0.00 178.44 177.98 1di0 h HIS 62 N 0.59 0.12 0.08 1.25 2.76 -1.48 0.70 115.15 119.18 1di0 h HIS 62 Ca 0.11 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1di0 h HIS 62 Cb 0.47 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1di0 h HIS 62 CO 0.02 0.32 -0.22 0.00 -1.30 0.00 0.00 177.93 176.75 1di0 h ALA 63 N 0.79 -0.35 -0.82 5.26 0.00 -0.74 -1.36 119.26 122.05 1di0 h ALA 63 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1di0 h ALA 63 Cb 0.26 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1di0 h ALA 63 CO 0.00 -0.74 0.42 -0.22 0.00 0.00 0.00 179.25 178.71 1di0 h LYS 64 N -0.39 0.61 -0.24 0.00 3.64 -0.53 0.44 116.57 120.10 1di0 h LYS 64 Ca 0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1di0 h LYS 64 Cb 0.43 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1di0 h LYS 64 CO -0.14 0.40 -0.05 1.15 -2.27 0.00 0.00 179.45 178.54 1di0 h THR 65 N 0.63 1.28 0.32 1.00 2.02 -0.20 -1.24 112.91 116.71 1di0 h THR 65 Ca 0.43 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 1di0 h THR 65 Cb 0.57 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1di0 h THR 65 CO -0.34 0.33 -0.15 -0.07 0.37 0.00 0.00 175.52 175.65 1di0 h LEU 66 N 0.21 -0.36 -0.86 2.58 3.38 -0.94 -2.59 115.31 116.73 1di0 h LEU 66 Ca 0.06 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.15 1di0 h LEU 66 Cb 0.51 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 1di0 h LEU 66 CO 0.02 -0.14 0.37 0.00 0.09 0.00 0.00 178.44 178.78 1di0 h ALA 67 N 0.06 1.33 0.00 1.53 0.00 -0.06 -0.94 119.26 121.17 1di0 h ALA 67 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1di0 h ALA 67 Cb 0.42 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1di0 h ALA 67 CO 0.07 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.58 1di0 n ARG 68 N -5.02 0.06 0.14 0.00 1.74 -0.48 -2.58 116.66 110.53 1di0 n ARG 68 Ca 0.20 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.80 1di0 n ARG 68 Cb 0.58 -1.64 0.47 0.00 -1.02 0.00 0.00 32.46 30.84 1di0 n ARG 68 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1di0 h THR 69 N 0.00 0.00 0.00 0.55 1.35 -1.07 -3.47 112.91 110.27 1di0 h THR 69 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1di0 h THR 69 Cb 0.19 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1di0 h THR 69 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1di0 n GLY 70 N 0.50 3.03 0.18 5.82 0.00 -1.07 -4.87 105.19 108.78 1di0 n GLY 70 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 1.50 0.00 -6.62 1.61 3.08 -1.84 -3.45 114.38 108.66 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 -0.28 0.00 0.08 0.00 0.00 29.97 29.77 1di0 h ARG 71 CO 0.00 0.00 -0.88 0.71 -1.07 0.00 0.00 179.97 178.73 1di0 s TYR 72 N -3.43 2.26 -0.56 3.04 1.51 -1.26 -4.38 117.35 114.52 1di0 s TYR 72 Ca 0.03 -0.41 0.24 0.00 -1.01 0.00 0.00 57.07 55.92 1di0 s TYR 72 Cb 0.09 -1.39 0.54 0.00 -0.11 0.00 0.00 41.96 41.09 1di0 s TYR 72 CO 0.44 0.07 1.67 0.00 -1.11 0.00 0.00 175.55 176.62 1di0 h ALA 73 N 5.03 0.99 -1.88 3.71 0.00 -1.24 -3.47 119.26 122.40 1di0 h ALA 73 Ca -0.45 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.62 1di0 h ALA 73 Cb 1.14 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 1di0 h ALA 73 CO 0.45 0.00 0.62 0.00 0.00 0.00 0.00 179.25 180.32 1di0 s ALA 74 N -3.16 -1.93 0.00 0.00 0.00 -1.25 -4.36 121.76 111.06 1di0 s ALA 74 Ca 0.08 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1di0 s ALA 74 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1di0 s ALA 74 CO 0.64 -0.59 -0.13 0.42 0.00 0.00 0.00 175.76 176.10 1di0 s ILE 75 N -2.55 0.99 -0.07 0.00 1.01 -0.89 -1.94 121.20 117.76 1di0 s ILE 75 Ca 0.06 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1di0 s ILE 75 Cb -0.01 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1di0 s ILE 75 CO -0.06 0.19 -0.18 -0.69 0.00 0.00 0.00 174.94 174.20 1di0 s VAL 76 N -0.45 1.52 -0.17 2.92 1.01 0.21 -0.33 120.40 125.11 1di0 s VAL 76 Ca 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1di0 s VAL 76 Cb -0.06 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1di0 s VAL 76 CO -0.00 0.44 -0.10 -0.83 0.00 0.00 0.00 175.10 174.61 1di0 s GLY 77 N 0.34 1.55 -0.08 4.51 0.00 -0.38 0.09 107.32 113.35 1di0 s GLY 77 Ca -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1di0 s GLY 77 CO 0.05 0.11 -0.07 0.00 0.00 0.00 0.00 173.10 173.19 1di0 s ALA 78 N 0.91 1.12 0.14 3.20 0.00 0.18 -0.51 121.76 126.80 1di0 s ALA 78 Ca -0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 1di0 s ALA 78 Cb -0.15 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1di0 s ALA 78 CO -0.00 -0.22 0.33 0.00 0.00 0.00 0.00 175.76 175.87 1di0 s ALA 79 N 1.34 -0.47 -0.17 0.00 0.00 -0.46 -1.53 121.76 120.47 1di0 s ALA 79 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1di0 s ALA 79 Cb -0.14 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1di0 s ALA 79 CO -0.03 -0.63 -0.17 0.12 0.00 0.00 0.00 175.76 175.04 1di0 s PHE 80 N -3.88 2.79 -0.26 0.00 2.19 -1.26 -2.49 117.98 115.07 1di0 s PHE 80 Ca 0.09 -1.35 0.01 0.00 0.33 0.00 0.00 56.93 56.01 1di0 s PHE 80 Cb 0.03 -1.93 0.05 0.00 -1.31 0.00 0.00 43.02 39.86 1di0 s PHE 80 CO -0.07 -0.66 -0.09 0.08 1.83 0.00 0.00 175.22 176.32 1di0 s VAL 81 N 1.13 2.41 -0.49 3.12 1.01 -0.77 -4.95 120.40 121.86 1di0 s VAL 81 Ca 0.01 -1.50 -0.23 0.00 0.00 0.00 0.00 61.98 60.26 1di0 s VAL 81 Cb -0.14 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1di0 s VAL 81 CO -0.07 -0.00 0.82 -0.51 0.00 0.00 0.00 175.10 175.34 1di0 s ILE 82 N 1.16 4.59 -0.07 2.22 -1.16 -1.26 -3.86 121.20 122.83 1di0 s ILE 82 Ca -0.07 0.28 -0.17 0.00 -0.51 0.00 0.00 60.65 60.18 1di0 s ILE 82 Cb -0.19 -4.39 -0.05 0.00 0.61 0.00 0.00 42.46 38.44 1di0 s ILE 82 CO -0.04 -0.86 0.45 -0.62 -2.81 0.00 0.00 174.94 171.06 1di0 s ASP 83 N 2.42 6.73 0.00 4.50 3.68 -1.26 -4.84 116.67 127.91 1di0 s ASP 83 Ca 0.28 0.87 0.00 0.00 2.13 0.00 0.00 52.55 55.84 1di0 s ASP 83 Cb -0.13 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 1di0 s ASP 83 CO 0.20 0.14 0.00 0.61 0.13 0.00 0.00 175.17 176.25 1di0 n GLY 84 N 2.68 2.96 0.00 2.66 0.00 -1.26 -4.24 105.19 107.99 1di0 n GLY 84 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 1.06 0.28 0.26 -0.02 0.00 -1.26 -4.85 105.19 100.66 1di0 n GLY 85 Ca 0.00 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.49 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 0.97 -3.21 -0.61 1.08 -2.03 -3.41 117.51 110.30 1di0 h ILE 86 Ca 0.00 -0.16 -0.60 0.00 -0.39 0.00 0.00 64.86 63.71 1di0 h ILE 86 Cb 0.00 1.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.73 1di0 h ILE 86 CO 0.00 0.04 -0.39 -0.31 -0.69 0.00 0.00 178.15 176.80 1di0 s TYR 87 N -4.90 3.47 0.16 1.37 1.51 -1.26 -5.07 117.35 112.62 1di0 s TYR 87 Ca -0.05 0.51 -0.31 0.00 -1.01 0.00 0.00 57.07 56.21 1di0 s TYR 87 Cb 0.16 -2.23 -0.10 0.00 -0.11 0.00 0.00 41.96 39.69 1di0 s TYR 87 CO 0.66 0.33 1.52 0.34 -1.11 0.00 0.00 175.55 177.28 1di0 s ASP 88 N 0.20 6.65 0.00 2.29 -1.08 -1.26 -4.12 116.67 119.35 1di0 s ASP 88 Ca 0.14 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 54.72 1di0 s ASP 88 Cb -0.12 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1di0 s ASP 88 CO 0.02 -0.77 0.21 1.41 0.52 0.00 0.00 175.17 176.56 1di0 n HIS 89 N 3.84 0.00 0.24 -5.34 8.25 -1.26 -4.72 115.22 116.23 1di0 n HIS 89 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.66 1di0 n HIS 89 Cb 0.39 0.00 0.56 0.00 1.12 0.00 0.00 29.99 32.07 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 0.00 -0.22 0.41 -0.00 -1.93 -2.90 116.42 111.77 1di0 h ASP 90 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.08 1di0 h ASP 90 Cb 0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.38 1di0 h ASP 90 CO 0.00 0.15 -0.09 -0.26 -0.00 0.00 0.00 179.24 179.03 1di0 h PHE 91 N 0.00 -0.22 -0.12 4.15 -1.00 -2.00 0.26 116.94 118.01 1di0 h PHE 91 Ca -0.00 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1di0 h PHE 91 Cb 0.28 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1di0 h PHE 91 CO 0.00 -0.15 0.06 0.28 -1.61 0.00 0.00 178.31 176.89 1di0 h VAL 92 N -0.06 1.00 -0.49 -0.55 2.07 -1.87 -2.02 116.25 114.34 1di0 h VAL 92 Ca 0.12 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1di0 h VAL 92 Cb 0.24 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1di0 h VAL 92 CO -0.26 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.35 1di0 h ALA 93 N 1.06 0.46 -0.96 1.67 0.00 -1.34 -0.59 119.26 119.56 1di0 h ALA 93 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1di0 h ALA 93 Cb 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1di0 h ALA 93 CO -0.03 -0.38 0.60 1.15 0.00 0.00 0.00 179.25 180.58 1di0 h THR 94 N 0.12 1.26 -0.22 0.00 2.02 -0.33 -0.61 112.91 115.14 1di0 h THR 94 Ca 0.25 -0.54 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 1di0 h THR 94 Cb 0.37 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1di0 h THR 94 CO -0.41 0.27 -0.34 0.00 0.37 0.00 0.00 175.52 175.42 1di0 h ALA 95 N 1.33 1.01 -0.03 6.16 0.00 -0.70 -2.65 119.26 124.39 1di0 h ALA 95 Ca 0.35 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1di0 h ALA 95 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1di0 h ALA 95 CO -0.07 0.60 -0.24 0.28 0.00 0.00 0.00 179.25 179.82 1di0 h VAL 96 N 0.40 1.49 -0.05 0.00 2.07 -0.99 0.23 116.25 119.40 1di0 h VAL 96 Ca 0.05 -1.80 -0.14 0.00 0.82 0.00 0.00 66.70 65.62 1di0 h VAL 96 Cb 0.78 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1di0 h VAL 96 CO 0.06 0.50 -0.60 0.40 0.02 0.00 0.00 177.57 177.95 1di0 h ILE 97 N -0.39 1.40 -0.31 4.57 2.04 -1.15 -0.49 117.51 123.18 1di0 h ILE 97 Ca -0.02 -2.00 -0.14 0.00 1.00 0.00 0.00 64.86 63.70 1di0 h ILE 97 Cb 0.94 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1di0 h ILE 97 CO 0.05 0.59 -0.37 0.78 0.00 0.00 0.00 178.15 179.20 1di0 h ASN 98 N 0.14 0.86 -0.75 1.72 -0.26 -1.57 -2.85 115.58 112.87 1di0 h ASN 98 Ca -0.01 -0.49 -0.02 0.00 -0.56 0.00 0.00 56.30 55.23 1di0 h ASN 98 Cb 1.10 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 38.08 1di0 h ASN 98 CO 0.09 1.17 0.39 1.23 -1.06 0.00 0.00 177.43 179.25 1di0 h GLY 99 N 0.56 1.14 1.02 2.83 0.00 -0.52 -0.06 103.07 108.04 1di0 h GLY 99 Ca 0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1di0 h GLY 99 CO 0.09 0.52 0.27 -0.33 0.00 0.00 0.00 176.54 177.09 1di0 h MET 100 N 1.05 1.02 -0.61 4.80 2.86 -1.08 -1.81 114.93 121.17 1di0 h MET 100 Ca 0.26 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1di0 h MET 100 Cb 0.08 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1di0 h MET 100 CO -0.04 0.85 0.35 1.98 1.06 0.00 0.00 176.91 181.11 1di0 h MET 101 N 0.97 0.83 -0.91 1.72 -1.53 -1.14 -2.16 114.93 112.71 1di0 h MET 101 Ca 0.23 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1di0 h MET 101 Cb 0.22 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.05 1di0 h MET 101 CO -0.02 0.61 0.57 0.37 0.14 0.00 0.00 176.91 178.59 1di0 h GLN 102 N 0.82 1.22 -0.51 0.39 4.15 -0.75 -2.16 115.11 118.27 1di0 h GLN 102 Ca 0.22 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1di0 h GLN 102 Cb 0.01 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1di0 h GLN 102 CO -0.04 0.83 0.18 0.28 -1.93 0.00 0.00 178.83 178.15 1di0 h VAL 103 N 1.24 1.23 0.00 2.39 2.07 -0.88 -1.64 116.25 120.66 1di0 h VAL 103 Ca 0.33 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1di0 h VAL 103 Cb -0.09 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1di0 h VAL 103 CO -0.07 0.28 -0.31 0.06 0.02 0.00 0.00 177.57 177.55 1di0 h GLN 104 N 0.70 0.00 0.00 1.57 3.07 -1.20 0.17 115.11 119.42 1di0 h GLN 104 Ca 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.72 1di0 h GLN 104 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1di0 h GLN 104 CO -0.01 0.31 -0.87 -0.07 0.09 0.00 0.00 178.83 178.28 1di0 h LEU 105 N 0.00 0.19 0.10 0.06 3.38 -1.10 0.24 115.31 118.18 1di0 h LEU 105 Ca -0.00 -0.16 -0.30 0.00 0.09 0.00 0.00 57.88 57.51 1di0 h LEU 105 Cb 0.87 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1di0 h LEU 105 CO 0.04 0.97 -1.55 -0.08 0.09 0.00 0.00 178.44 177.90 1di0 h GLU 106 N 0.08 0.20 0.00 1.13 4.81 -0.93 -3.35 114.58 116.52 1di0 h GLU 106 Ca -0.04 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1di0 h GLU 106 Cb 1.50 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.01 1di0 h GLU 106 CO 0.13 1.04 -1.37 0.25 -0.73 0.00 0.00 179.01 178.33 1di0 n THR 107 N -3.40 0.01 -2.90 0.32 -2.24 0.55 -4.98 114.28 101.64 1di0 n THR 107 Ca -0.17 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 1di0 n THR 107 Cb 1.04 0.56 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.82 -4.29 -4.96 -0.78 1.02 0.83 -5.00 120.64 105.64 1di0 n GLU 108 Ca 0.01 0.88 -0.32 0.00 -0.02 0.00 0.00 57.16 57.70 1di0 n GLU 108 Cb 0.43 -5.62 -0.16 0.00 -0.02 0.00 0.00 31.44 26.06 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 -3.13 2.33 0.31 2.62 1.01 -1.25 -5.08 120.40 117.21 1di0 s VAL 109 Ca 0.25 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1di0 s VAL 109 Cb -0.11 -1.93 -0.12 0.00 0.00 0.00 0.00 36.38 34.23 1di0 s VAL 109 CO 0.31 0.55 1.53 -2.65 0.00 0.00 0.00 175.10 174.84 1di0 n PRO 110 N 3.67 2.59 -4.07 2.72 -0.02 -1.26 -4.45 135.00 134.17 1di0 n PRO 110 Ca -0.19 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 1di0 n PRO 110 Cb 0.53 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.18 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 -0.32 1.96 -0.03 -1.45 1.01 -1.26 -2.10 120.40 118.21 1di0 s VAL 111 Ca 0.62 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1di0 s VAL 111 Cb -0.51 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1di0 s VAL 111 CO 0.53 0.31 0.27 -0.76 0.00 0.00 0.00 175.10 175.46 1di0 s LEU 112 N 1.28 4.40 -0.24 3.92 1.02 0.55 -4.94 118.68 124.68 1di0 s LEU 112 Ca 0.00 0.65 -0.09 0.00 0.02 0.00 0.00 54.13 54.72 1di0 s LEU 112 Cb -0.15 -2.49 -0.04 0.00 0.02 0.00 0.00 46.19 43.53 1di0 s LEU 112 CO -0.10 0.31 0.11 -0.55 0.02 0.00 0.00 176.35 176.14 1di0 s SER 113 N -1.35 5.59 -0.38 2.29 0.15 -1.26 -1.25 113.70 117.49 1di0 s SER 113 Ca 0.23 -0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.94 1di0 s SER 113 Cb -0.14 -2.00 0.44 0.00 -1.71 0.00 0.00 66.02 62.61 1di0 s SER 113 CO 0.12 0.03 1.07 0.52 1.20 0.00 0.00 173.24 176.18 1di0 n VAL 114 N 4.49 1.90 -3.66 4.45 0.31 0.34 -4.95 118.33 121.21 1di0 n VAL 114 Ca -0.16 -4.21 -0.39 0.00 -0.01 0.00 0.00 64.34 59.58 1di0 n VAL 114 Cb 0.52 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.81 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 -4.64 3.85 -0.12 2.52 1.01 -1.24 -1.36 120.40 120.42 1di0 s VAL 115 Ca 0.41 -2.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 1di0 s VAL 115 Cb 0.42 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1di0 s VAL 115 CO -0.09 -0.78 0.24 -0.76 0.00 0.00 0.00 175.10 173.70 1di0 s LEU 116 N 0.90 4.33 -0.27 3.92 2.01 -1.04 -4.94 118.68 123.60 1di0 s LEU 116 Ca 0.10 0.54 0.01 0.00 0.01 0.00 0.00 54.13 54.79 1di0 s LEU 116 Cb -0.23 -2.27 0.08 0.00 0.01 0.00 0.00 46.19 43.77 1di0 s LEU 116 CO -0.03 0.26 0.00 -0.89 1.01 0.00 0.00 176.35 176.70 1di0 s THR 117 N -0.33 1.50 0.64 5.49 2.01 -1.26 -1.85 115.64 121.84 1di0 s THR 117 Ca 0.16 -1.45 -0.14 0.00 0.31 0.00 0.00 61.69 60.58 1di0 s THR 117 Cb -0.13 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1di0 s THR 117 CO 0.05 -0.32 1.06 -2.16 -0.69 0.00 0.00 174.62 172.56 1di0 s PRO 118 N 1.36 3.15 0.53 4.92 0.04 -1.25 -4.94 135.00 138.81 1di0 s PRO 118 Ca 0.01 1.09 0.23 0.00 0.04 0.00 0.00 61.00 62.37 1di0 s PRO 118 Cb -0.18 -2.01 1.46 0.00 0.04 0.00 0.00 34.50 33.81 1di0 s PRO 118 CO -0.10 -0.94 2.15 0.45 0.04 0.00 0.00 177.00 178.59 1di0 h HIS 119 N -0.07 0.00 0.00 0.56 3.86 -1.95 -3.37 115.15 114.17 1di0 h HIS 119 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1di0 h HIS 119 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1di0 h HIS 119 CO 0.60 0.06 0.00 1.58 0.86 0.00 0.00 177.93 181.03 1di0 n HIS 120 N -4.08 0.00 -1.50 2.45 -0.00 -1.26 -4.90 115.22 105.93 1di0 n HIS 120 Ca -0.03 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.86 1di0 n HIS 120 Cb 0.14 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.14 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 2.54 -0.47 1.57 -0.71 -1.26 -5.06 117.98 114.59 1di0 s PHE 121 Ca 0.00 0.94 0.06 0.00 -1.04 0.00 0.00 56.93 56.89 1di0 s PHE 121 Cb 0.00 -3.31 0.19 0.00 -1.21 0.00 0.00 43.02 38.69 1di0 s PHE 121 CO 0.00 -2.29 0.61 1.58 -1.34 0.00 0.00 175.22 173.78 1di0 n HIS 121 N -3.73 -2.66 0.00 3.49 -0.00 -1.26 -5.06 115.22 106.00 1di0 n HIS 121 Ca 0.06 -2.16 0.00 0.00 0.46 0.00 0.00 57.72 56.09 1di0 n HIS 121 Cb 0.58 0.99 0.00 0.00 -0.12 0.00 0.00 29.99 31.45 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 2.68 0.00 0.00 1.57 -0.00 -1.26 -4.90 120.64 118.73 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 -0.06 -1.84 2.88 -1.26 -4.60 113.62 108.74 1di0 n SER 121 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1di0 n SER 121 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 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 1.39 0.01 0.35 -1.46 0.00 -1.26 0.18 118.16 117.37 1di0 n LYS 122 Ca 0.00 0.58 -0.18 0.00 -0.00 0.00 0.00 58.31 58.71 1di0 n LYS 122 Cb 0.00 -1.47 -0.09 0.00 -0.00 0.00 0.00 35.03 33.46 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 -1.03 0.09 -1.58 4.39 -1.98 -3.03 114.58 111.45 1di0 h GLU 123 Ca 0.22 0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 1di0 h GLU 123 Cb 1.59 0.23 0.01 0.00 -0.10 0.00 0.00 28.75 30.48 1di0 h GLU 123 CO -0.00 -0.68 -0.60 0.45 -1.16 0.00 0.00 179.01 177.02 1di0 h HIS 124 N -1.06 0.34 -1.17 4.33 3.86 0.17 -3.29 115.15 118.32 1di0 h HIS 124 Ca -0.08 -0.25 0.34 0.00 -1.16 0.00 0.00 60.37 59.22 1di0 h HIS 124 Cb 0.89 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 29.24 1di0 h HIS 124 CO -0.18 1.23 0.76 1.25 0.86 0.00 0.00 177.93 181.86 1di0 h HIS 125 N -0.60 0.54 0.00 2.45 2.76 -1.31 1.07 115.15 120.07 1di0 h HIS 125 Ca -0.11 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 57.96 1di0 h HIS 125 Cb 1.43 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.22 1di0 h HIS 125 CO 0.22 -0.05 -0.77 -0.44 -1.30 0.00 0.00 177.93 175.60 1di0 h ASP 126 N 0.24 0.00 0.76 3.26 3.32 -1.66 -2.36 116.42 119.98 1di0 h ASP 126 Ca 0.68 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.69 1di0 h ASP 126 Cb 2.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.56 1di0 h ASP 126 CO -0.31 0.53 -0.37 0.15 -1.72 0.00 0.00 179.24 177.52 1di0 h PHE 127 N 0.00 -0.95 -0.94 4.55 3.57 0.10 -1.92 116.94 121.35 1di0 h PHE 127 Ca -0.05 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.55 1di0 h PHE 127 Cb 1.44 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 40.42 1di0 h PHE 127 CO 0.00 -0.59 0.60 0.74 -2.23 0.00 0.00 178.31 176.83 1di0 h PHE 128 N -1.26 1.00 -0.42 0.41 0.05 -1.06 0.10 116.94 115.77 1di0 h PHE 128 Ca -0.10 0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.62 1di0 h PHE 128 Cb 0.78 -0.32 -0.02 0.00 2.00 0.00 0.00 35.95 38.40 1di0 h PHE 128 CO 0.00 0.41 -0.12 0.45 -0.18 0.00 0.00 178.31 178.87 1di0 h HIS 129 N 0.88 0.82 0.29 -0.55 3.86 -1.42 -0.65 115.15 118.38 1di0 h HIS 129 Ca 0.46 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1di0 h HIS 129 Cb 0.53 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1di0 h HIS 129 CO -0.00 0.83 -0.14 0.00 0.86 0.00 0.00 177.93 179.47 1di0 h ALA 130 N 1.19 -0.39 -0.32 2.45 0.00 -0.31 -2.49 119.26 119.39 1di0 h ALA 130 Ca 0.11 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1di0 h ALA 130 Cb 0.59 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1di0 h ALA 130 CO 0.04 -0.55 -0.11 1.25 0.00 0.00 0.00 179.25 179.87 1di0 h HIS 131 N -0.72 -0.25 -0.66 0.00 6.17 -0.70 0.25 115.15 119.24 1di0 h HIS 131 Ca -0.04 0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.15 1di0 h HIS 131 Cb 0.49 0.16 -0.04 0.00 2.52 0.00 0.00 27.41 30.54 1di0 h HIS 131 CO 0.02 -0.18 0.43 0.74 0.71 0.00 0.00 177.93 179.66 1di0 h PHE 132 N -0.04 0.62 -0.53 5.26 -1.00 -1.15 0.44 116.94 120.53 1di0 h PHE 132 Ca 0.16 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.92 1di0 h PHE 132 Cb 0.29 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 1di0 h PHE 132 CO -0.33 0.31 0.19 -0.22 -1.61 0.00 0.00 178.31 176.65 1di0 h LYS 133 N 0.60 0.77 0.01 1.51 3.64 -0.48 -1.19 116.57 121.44 1di0 h LYS 133 Ca 0.29 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1di0 h LYS 133 Cb 0.37 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1di0 h LYS 133 CO -0.09 0.66 -0.01 0.28 -2.27 0.00 0.00 179.45 178.02 1di0 h VAL 134 N 0.76 1.41 -0.16 2.00 2.07 -0.40 -2.96 116.25 118.97 1di0 h VAL 134 Ca 0.18 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1di0 h VAL 134 Cb 0.19 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1di0 h VAL 134 CO -0.01 0.34 0.15 0.11 0.02 0.00 0.00 177.57 178.18 1di0 h LYS 135 N -0.60 0.00 -0.57 1.57 1.79 -0.82 -0.01 116.57 117.93 1di0 h LYS 135 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1di0 h LYS 135 Cb 0.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1di0 h LYS 135 CO 0.00 0.00 -0.05 0.78 -1.08 0.00 0.00 179.45 179.11 1di0 h GLY 136 N 0.00 1.12 0.81 3.86 0.00 -1.06 -0.40 103.07 107.40 1di0 h GLY 136 Ca 0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 1di0 h GLY 136 CO -0.00 0.78 -0.01 -2.08 0.00 0.00 0.00 176.54 175.23 1di0 h VAL 137 N 0.94 1.26 -0.81 4.60 2.07 -0.89 -2.03 116.25 121.39 1di0 h VAL 137 Ca 0.16 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1di0 h VAL 137 Cb 0.60 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1di0 h VAL 137 CO 0.04 0.28 0.51 -0.33 0.02 0.00 0.00 177.57 178.09 1di0 h GLU 138 N 0.11 0.95 -1.01 1.57 5.08 -1.30 -1.02 114.58 118.96 1di0 h GLU 138 Ca 0.05 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1di0 h GLU 138 Cb 0.42 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1di0 h GLU 138 CO 0.01 0.63 0.67 0.00 -1.00 0.00 0.00 179.01 179.32 1di0 h ALA 139 N 1.35 1.28 -0.33 3.43 0.00 -0.91 -0.18 119.26 123.90 1di0 h ALA 139 Ca 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1di0 h ALA 139 Cb 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1di0 h ALA 139 CO -0.13 0.67 0.13 0.00 0.00 0.00 0.00 179.25 179.92 1di0 h ALA 140 N 1.37 0.43 -0.75 0.00 0.00 -0.47 0.14 119.26 119.98 1di0 h ALA 140 Ca 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1di0 h ALA 140 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1di0 h ALA 140 CO -0.08 0.02 0.50 0.45 0.00 0.00 0.00 179.25 180.14 1di0 h HIS 141 N 0.39 0.94 -0.06 0.00 -0.00 -0.93 -1.74 115.15 113.75 1di0 h HIS 141 Ca 0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1di0 h HIS 141 Cb 0.18 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1di0 h HIS 141 CO -0.01 0.59 0.03 0.00 -0.00 0.00 0.00 177.93 178.54 1di0 h ALA 142 N 1.28 0.08 -0.32 2.45 0.00 -0.61 -0.49 119.26 121.65 1di0 h ALA 142 Ca 0.28 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1di0 h ALA 142 Cb -0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 1di0 h ALA 142 CO -0.06 -0.33 -0.28 0.00 0.00 0.00 0.00 179.25 178.58 1di0 h ALA 143 N 0.86 -0.14 -0.09 0.00 0.00 -0.47 -0.60 119.26 118.83 1di0 h ALA 143 Ca 0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1di0 h ALA 143 Cb 0.17 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1di0 h ALA 143 CO -0.00 -0.69 -0.01 -0.07 0.00 0.00 0.00 179.25 178.48 1di0 h LEU 144 N -0.25 -0.06 -0.60 0.00 3.38 -1.16 -1.53 115.31 115.08 1di0 h LEU 144 Ca 0.16 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1di0 h LEU 144 Cb 0.50 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1di0 h LEU 144 CO -0.46 -0.02 0.40 -0.61 0.09 0.00 0.00 178.44 177.84 1di0 h GLN 145 N 0.01 0.79 0.00 1.13 4.15 -0.80 -1.95 115.11 118.44 1di0 h GLN 145 Ca 0.04 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1di0 h GLN 145 Cb 0.06 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1di0 h GLN 145 CO -0.08 0.52 -0.53 0.97 -1.93 0.00 0.00 178.83 177.78 1di0 h ILE 146 N 0.81 1.09 -0.22 2.39 6.09 -0.92 -0.76 117.51 125.99 1di0 h ILE 146 Ca 0.22 -2.02 -0.20 0.00 -1.37 0.00 0.00 64.86 61.48 1di0 h ILE 146 Cb -0.09 2.19 0.00 0.00 0.47 0.00 0.00 36.82 39.40 1di0 h ILE 146 CO -0.05 0.52 -0.66 0.58 -3.07 0.00 0.00 178.15 175.47 1di0 h VAL 147 N 0.00 1.28 0.24 2.19 2.07 -0.95 -2.25 116.25 118.84 1di0 h VAL 147 Ca -0.01 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 1di0 h VAL 147 Cb 1.15 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1di0 h VAL 147 CO 0.07 0.59 -0.12 -1.28 0.02 0.00 0.00 177.57 176.86 1di0 h SER 148 N 0.61 -0.28 -0.60 0.57 0.87 -1.26 -2.59 113.55 110.87 1di0 h SER 148 Ca -0.02 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1di0 h SER 148 Cb 1.28 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 1di0 h SER 148 CO 0.14 0.01 0.40 -0.08 -0.53 0.00 0.00 176.83 176.77 1di0 h GLU 149 N -0.57 0.61 -0.11 2.24 4.57 -1.18 -2.35 114.58 117.80 1di0 h GLU 149 Ca -0.03 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.95 1di0 h GLU 149 Cb 0.42 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1di0 h GLU 149 CO 0.05 0.40 -0.63 0.00 -1.18 0.00 0.00 179.01 177.66 1di0 h ARG 150 N 0.63 0.40 0.00 1.92 3.08 -1.26 -2.65 114.38 116.51 1di0 h ARG 150 Ca 0.25 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1di0 h ARG 150 Cb 0.21 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1di0 h ARG 150 CO -0.07 0.90 0.00 0.66 -1.07 0.00 0.00 179.97 180.38 1di0 h SER 151 N 0.29 0.00 0.12 7.04 4.64 -1.03 -3.14 113.55 121.47 1di0 h SER 151 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1di0 h SER 151 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1di0 h SER 151 CO 0.11 0.00 -0.06 0.03 -0.87 0.00 0.00 176.83 176.04 1di0 h ARG 152 N 0.00 -0.15 0.00 4.77 3.08 -1.24 -3.51 114.38 117.32 1di0 h ARG 152 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1di0 h ARG 152 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1di0 h ARG 152 CO 0.00 -0.10 0.00 0.44 -1.07 0.00 0.00 179.97 179.24