#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d28 h GLN 3 N 0.00 -0.33 -4.01 5.31 7.50 -2.10 -3.47 115.11 118.01 2d28 h GLN 3 Ca 0.00 0.02 -0.14 0.00 0.50 0.00 0.00 58.65 59.03 2d28 h GLN 3 Cb 0.00 0.08 -0.18 0.00 0.05 0.00 0.00 27.48 27.43 2d28 h GLN 3 CO 0.00 -0.22 -0.64 1.03 -1.50 0.00 0.00 178.83 177.50 2d28 s ARG 4 N -2.75 0.49 0.68 1.46 0.52 -1.26 -5.16 118.95 112.92 2d28 s ARG 4 Ca -0.05 -0.85 -0.16 0.00 -0.52 0.00 0.00 55.73 54.15 2d28 s ARG 4 Cb 0.01 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.66 2d28 s ARG 4 CO 0.15 -0.10 1.22 -1.54 0.02 0.00 0.00 175.30 175.05 2d28 s SER 5 N -2.13 4.57 0.16 0.23 1.04 -1.26 -4.88 113.70 111.43 2d28 s SER 5 Ca -0.05 2.39 -0.15 0.00 0.48 0.00 0.00 55.95 58.62 2d28 s SER 5 Cb -0.02 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2d28 s SER 5 CO -0.05 -2.01 1.83 0.00 0.98 0.00 0.00 173.24 173.98 2d28 h ALA 6 N 0.17 0.60 -0.58 5.32 0.00 -1.99 -1.99 119.26 120.78 2d28 h ALA 6 Ca -0.49 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2d28 h ALA 6 Cb 1.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2d28 h ALA 6 CO 0.52 0.04 0.29 1.49 0.00 0.00 0.00 179.25 181.58 2d28 h GLU 7 N 0.63 0.52 -0.86 0.00 4.81 -1.92 -0.20 114.58 117.56 2d28 h GLU 7 Ca 0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2d28 h GLU 7 Cb -0.07 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 2d28 h GLU 7 CO -0.04 0.34 0.48 1.15 -0.73 0.00 0.00 179.01 180.21 2d28 h THR 8 N 0.53 1.25 -0.06 0.32 2.02 -1.87 -0.45 112.91 114.65 2d28 h THR 8 Ca 0.27 -0.60 -0.18 0.00 0.77 0.00 0.00 66.41 66.67 2d28 h THR 8 Cb 0.22 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2d28 h THR 8 CO -0.20 0.27 -0.73 0.03 0.37 0.00 0.00 175.52 175.26 2d28 h ARG 9 N 1.20 0.34 -0.07 6.66 3.08 -0.82 -0.86 114.38 123.91 2d28 h ARG 9 Ca 0.30 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2d28 h ARG 9 Cb 0.01 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2d28 h ARG 9 CO -0.05 0.93 -0.04 0.82 -1.07 0.00 0.00 179.97 180.57 2d28 h ILE 10 N 0.23 1.33 -0.59 2.04 2.04 -0.78 -1.28 117.51 120.50 2d28 h ILE 10 Ca -0.03 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.86 2d28 h ILE 10 Cb 1.30 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 2d28 h ILE 10 CO 0.12 0.29 0.24 0.58 0.00 0.00 0.00 178.15 179.38 2d28 h VAL 11 N -0.23 0.81 -0.81 1.67 2.07 -1.00 0.89 116.25 119.65 2d28 h VAL 11 Ca 0.02 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2d28 h VAL 11 Cb 0.48 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 2d28 h VAL 11 CO 0.01 0.08 0.43 -0.08 0.02 0.00 0.00 177.57 178.03 2d28 h GLU 12 N 0.44 1.15 -0.32 1.57 4.81 -1.08 -2.31 114.58 118.84 2d28 h GLU 12 Ca 0.29 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2d28 h GLU 12 Cb 0.32 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2d28 h GLU 12 CO -0.27 0.86 -0.33 0.00 -0.73 0.00 0.00 179.01 178.53 2d28 h ALA 13 N 1.23 0.83 -0.53 2.92 0.00 -0.85 -1.78 119.26 121.08 2d28 h ALA 13 Ca 0.28 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2d28 h ALA 13 Cb 0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2d28 h ALA 13 CO -0.04 0.64 0.14 -0.07 0.00 0.00 0.00 179.25 179.92 2d28 h LEU 14 N 0.58 0.08 -0.08 0.00 3.38 -0.50 -0.85 115.31 117.93 2d28 h LEU 14 Ca 0.06 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2d28 h LEU 14 Cb 0.84 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2d28 h LEU 14 CO 0.07 0.07 0.03 -0.07 0.09 0.00 0.00 178.44 178.63 2d28 h LEU 15 N 0.30 0.11 -0.90 1.67 3.38 -1.28 0.16 115.31 118.75 2d28 h LEU 15 Ca 0.26 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2d28 h LEU 15 Cb 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2d28 h LEU 15 CO -0.31 0.26 -0.10 -0.08 0.09 0.00 0.00 178.44 178.30 2d28 h GLU 16 N -0.04 0.70 0.00 1.13 4.57 -1.21 -0.41 114.58 119.32 2d28 h GLU 16 Ca 0.03 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2d28 h GLU 16 Cb 0.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2d28 h GLU 16 CO -0.00 0.78 0.00 0.54 -1.18 0.00 0.00 179.01 179.15 2d28 n ARG 17 N -4.18 0.70 -3.00 1.92 5.12 -0.34 -4.91 116.66 111.98 2d28 n ARG 17 Ca 0.01 0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.72 2d28 n ARG 17 Cb 0.34 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.17 2d28 n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2d28 n ARG 18 N -1.13 -4.57 -0.00 5.56 1.74 -0.16 -4.88 116.66 113.21 2d28 n ARG 18 Ca 0.18 0.89 0.13 0.00 -0.77 0.00 0.00 57.85 58.29 2d28 n ARG 18 Cb 0.16 -5.73 0.41 0.00 -1.02 0.00 0.00 32.46 26.28 2d28 n ARG 18 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d28 n ARG 19 N -3.94 1.84 -3.70 5.56 1.74 0.51 -4.85 116.66 113.82 2d28 n ARG 19 Ca -0.12 -1.23 -0.11 0.00 -0.77 0.00 0.00 57.85 55.62 2d28 n ARG 19 Cb 0.62 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 2d28 n ARG 19 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2d28 s LEU 20 N -1.98 0.03 0.13 0.55 2.96 -1.11 -4.69 118.68 114.56 2d28 s LEU 20 Ca 0.35 0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 55.02 2d28 s LEU 20 Cb 0.21 1.44 -0.07 0.00 0.50 0.00 0.00 46.19 48.27 2d28 s LEU 20 CO 0.32 -0.18 0.55 -0.54 -1.32 0.00 0.00 176.35 175.19 2d28 s LYS 21 N 1.00 4.03 0.38 1.98 1.02 -1.26 -4.35 119.74 122.54 2d28 s LYS 21 Ca -0.06 0.55 0.16 0.00 0.02 0.00 0.00 55.97 56.64 2d28 s LYS 21 Cb -0.06 -3.00 0.77 0.00 -0.52 0.00 0.00 37.83 35.01 2d28 s LYS 21 CO -0.08 0.52 1.82 0.38 -0.92 0.00 0.00 175.35 177.06 2d28 h ASP 22 N 3.80 0.00 -0.36 2.83 2.03 -1.99 -1.18 116.42 121.55 2d28 h ASP 22 Ca -0.49 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.75 2d28 h ASP 22 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 2d28 h ASP 22 CO 0.65 0.36 -0.01 0.71 -1.03 0.00 0.00 179.24 179.92 2d28 h THR 23 N 0.00 1.26 -0.76 1.15 1.35 -2.00 -1.56 112.91 112.35 2d28 h THR 23 Ca -0.00 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2d28 h THR 23 Cb 0.71 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 68.29 2d28 h THR 23 CO 0.05 0.34 0.42 0.44 -0.25 0.00 0.00 175.52 176.52 2d28 h ASP 24 N 0.46 0.94 -0.36 5.36 3.32 -1.77 -2.47 116.42 121.91 2d28 h ASP 24 Ca 0.10 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2d28 h ASP 24 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2d28 h ASP 24 CO 0.02 0.75 -0.19 0.25 -1.72 0.00 0.00 179.24 178.35 2d28 h LEU 25 N 1.06 0.79 -1.00 1.55 5.85 -1.02 -1.40 115.31 121.15 2d28 h LEU 25 Ca 0.27 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2d28 h LEU 25 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2d28 h LEU 25 CO -0.05 1.03 0.25 1.62 -0.34 0.00 0.00 178.44 180.95 2d28 h VAL 26 N 0.55 1.23 -0.24 1.05 3.04 -1.12 -2.81 116.25 117.96 2d28 h VAL 26 Ca 0.08 -0.74 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 2d28 h VAL 26 Cb 0.74 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 2d28 h VAL 26 CO 0.06 0.29 0.06 0.03 -1.01 0.00 0.00 177.57 177.01 2d28 h ARG 27 N 0.95 0.38 -6.59 4.17 3.08 -1.26 -3.41 114.38 111.69 2d28 h ARG 27 Ca 0.22 -0.09 -0.52 0.00 0.07 0.00 0.00 59.98 59.66 2d28 h ARG 27 Cb 0.20 -0.05 0.05 0.00 0.08 0.00 0.00 29.97 30.25 2d28 h ARG 27 CO -0.02 0.47 1.07 0.00 -1.07 0.00 0.00 179.97 180.43 2d28 s ALA 28 N -5.33 3.86 0.00 0.04 0.00 -0.54 -4.91 121.76 114.87 2d28 s ALA 28 Ca -0.14 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2d28 s ALA 28 Cb 0.08 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2d28 s ALA 28 CO 0.73 -1.08 0.00 0.54 0.00 0.00 0.00 175.76 175.94 2d28 n ARG 29 N 4.86 0.00 0.00 0.00 3.00 -1.26 -4.88 116.66 118.37 2d28 n ARG 29 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.01 2d28 n ARG 29 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 2d28 n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d28 n GLN 30 N 0.00 0.00 0.00 5.56 10.64 -1.26 -5.13 117.38 127.19 2d28 n GLN 30 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2d28 n GLN 30 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2d28 n GLN 30 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2d28 n GLU 34 N 0.00 0.00 -0.09 2.61 1.02 -1.26 -5.18 120.64 117.74 2d28 n GLU 34 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2d28 n GLU 34 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2d28 n GLU 34 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2d28 n SER 35 N 0.00 1.85 0.00 1.62 3.41 -1.26 -5.21 113.62 114.03 2d28 n SER 35 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2d28 n SER 35 Cb 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 2d28 n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d28 n GLY 36 N 1.51 1.21 3.93 5.00 0.00 -1.26 -5.28 105.19 110.30 2d28 n GLY 36 Ca -0.20 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2d28 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d28 s GLY 38 N -0.45 1.65 0.06 -0.02 0.00 -1.26 -4.93 107.32 102.37 2d28 s GLY 38 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 2d28 s GLY 38 CO 0.00 -0.59 1.55 -2.00 0.00 0.00 0.00 173.10 172.06 2d28 h LEU 39 N -0.18 0.14 -0.52 0.66 5.85 -2.00 -0.51 115.31 118.75 2d28 h LEU 39 Ca -0.45 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 57.92 2d28 h LEU 39 Cb 1.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2d28 h LEU 39 CO 0.59 0.33 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.77 2d28 h LEU 40 N -0.06 1.03 -0.69 2.25 3.38 -1.99 -0.81 115.31 118.42 2d28 h LEU 40 Ca 0.03 -0.38 0.15 0.00 0.09 0.00 0.00 57.88 57.77 2d28 h LEU 40 Cb 0.24 -0.28 -0.12 0.00 0.09 0.00 0.00 40.66 40.59 2d28 h LEU 40 CO 0.00 1.18 0.04 0.00 0.09 0.00 0.00 178.44 179.75 2d28 h ALA 41 N 0.90 0.74 -0.26 1.53 0.00 -1.98 -1.18 119.26 119.00 2d28 h ALA 41 Ca 0.12 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2d28 h ALA 41 Cb 0.76 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2d28 h ALA 41 CO 0.06 -0.39 -0.20 1.25 0.00 0.00 0.00 179.25 179.96 2d28 h LEU 42 N 0.14 0.64 -0.85 0.00 5.85 -0.16 -0.88 115.31 120.06 2d28 h LEU 42 Ca 0.37 -0.45 0.09 0.00 0.84 0.00 0.00 57.88 58.73 2d28 h LEU 42 Cb 0.64 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2d28 h LEU 42 CO -0.58 0.95 0.50 -0.07 -0.34 0.00 0.00 178.44 178.91 2d28 h LEU 43 N 0.33 0.74 -0.69 2.25 3.38 -1.06 0.29 115.31 120.56 2d28 h LEU 43 Ca 0.05 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2d28 h LEU 43 Cb 0.75 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2d28 h LEU 43 CO 0.05 0.44 0.15 1.23 0.09 0.00 0.00 178.44 180.40 2d28 h GLY 44 N 0.86 1.20 1.88 0.83 0.00 -0.91 -0.05 103.07 106.88 2d28 h GLY 44 Ca 0.40 -0.77 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 2d28 h GLY 44 CO -0.22 0.71 -0.80 -0.09 0.00 0.00 0.00 176.54 176.14 2d28 h ARG 45 N 1.04 0.11 0.00 4.80 2.43 0.02 -2.49 114.38 120.30 2d28 h ARG 45 Ca 0.21 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2d28 h ARG 45 Cb 0.40 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2d28 h ARG 45 CO 0.01 0.85 0.00 1.28 -1.51 0.00 0.00 179.97 180.60 2d28 n LEU 46 N -3.66 0.00 -0.70 3.80 4.77 0.90 -4.91 117.00 117.20 2d28 n LEU 46 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2d28 n LEU 46 Cb 0.76 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 2d28 n LEU 46 CO 0.46 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 177.04 2d28 n GLY 47 N 0.70 0.87 0.02 -0.72 0.00 -0.94 -4.94 105.19 100.18 2d28 n GLY 47 Ca 0.18 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2d28 n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d28 n LEU 48 N -1.00 0.53 -3.87 0.99 4.77 -0.04 -4.79 117.00 113.58 2d28 n LEU 48 Ca -0.09 -0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.53 2d28 n LEU 48 Cb 0.32 -0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 41.21 2d28 n LEU 48 CO 0.13 0.08 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.16 2d28 s VAL 49 N -3.25 0.64 0.66 4.08 1.01 -1.16 -4.70 120.40 117.69 2d28 s VAL 49 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 2d28 s VAL 49 Cb 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2d28 s VAL 49 CO 0.85 0.28 1.16 -0.94 0.00 0.00 0.00 175.10 176.45 2d28 s SER 50 N 1.34 4.90 0.27 3.32 1.04 -1.26 -4.49 113.70 118.81 2d28 s SER 50 Ca -0.04 2.19 -0.02 0.00 0.48 0.00 0.00 55.95 58.56 2d28 s SER 50 Cb -0.14 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.86 2d28 s SER 50 CO -0.03 -1.78 1.85 -0.33 0.98 0.00 0.00 173.24 173.94 2d28 h GLU 51 N 0.19 1.02 -0.40 4.02 5.08 -1.99 0.68 114.58 123.18 2d28 h GLU 51 Ca -0.48 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2d28 h GLU 51 Cb 1.27 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2d28 h GLU 51 CO 0.53 0.68 0.26 -0.09 -1.00 0.00 0.00 179.01 179.39 2d28 h ARG 52 N 1.05 0.52 -0.05 2.33 2.43 -1.99 -1.08 114.38 117.59 2d28 h ARG 52 Ca 0.45 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.43 2d28 h ARG 52 Cb 0.30 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2d28 h ARG 52 CO -0.21 0.34 -0.65 -0.44 -1.51 0.00 0.00 179.97 177.50 2d28 h ASP 53 N 0.53 0.23 0.64 -3.80 3.32 -1.82 0.11 116.42 115.64 2d28 h ASP 53 Ca 0.15 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2d28 h ASP 53 Cb -0.06 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2d28 h ASP 53 CO -0.03 0.82 -0.43 -0.74 -1.72 0.00 0.00 179.24 177.13 2d28 h HIS 54 N 0.14 -1.16 -0.16 4.55 2.76 -0.71 -1.99 115.15 118.58 2d28 h HIS 54 Ca -0.01 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 2d28 h HIS 54 Cb 1.17 0.42 -0.05 0.00 1.55 0.00 0.00 27.41 30.50 2d28 h HIS 54 CO 0.02 -0.64 -0.16 0.00 -1.30 0.00 0.00 177.93 175.85 2d28 h ALA 55 N -0.81 -0.06 -0.54 5.26 0.00 -1.05 -1.12 119.26 120.93 2d28 h ALA 55 Ca -0.08 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2d28 h ALA 55 Cb 0.84 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2d28 h ALA 55 CO 0.06 -0.61 -0.02 1.49 0.00 0.00 0.00 179.25 180.17 2d28 h GLU 56 N -0.19 0.10 -0.19 0.00 4.57 -0.78 -0.94 114.58 117.14 2d28 h GLU 56 Ca 0.11 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 2d28 h GLU 56 Cb 0.35 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2d28 h GLU 56 CO -0.28 0.06 -0.32 1.15 -1.18 0.00 0.00 179.01 178.44 2d28 h THR 57 N 0.10 1.34 -0.68 0.32 2.02 -1.11 -0.88 112.91 114.02 2d28 h THR 57 Ca 0.28 -1.55 0.13 0.00 0.77 0.00 0.00 66.41 66.04 2d28 h THR 57 Cb 0.43 1.86 -0.09 0.00 -1.74 0.00 0.00 68.15 68.61 2d28 h THR 57 CO -0.47 0.47 0.20 0.00 0.37 0.00 0.00 175.52 176.10 2d28 h ALA 59 N 1.52 0.70 -0.31 0.00 0.00 -0.90 -1.51 119.26 118.77 2d28 h ALA 59 Ca 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2d28 h ALA 59 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2d28 h ALA 59 CO -0.42 0.53 0.16 0.93 0.00 0.00 0.00 179.25 180.45 2d28 h GLU 60 N 0.79 0.44 -0.08 0.00 5.08 -0.84 0.12 114.58 120.10 2d28 h GLU 60 Ca 0.14 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 2d28 h GLU 60 Cb 0.55 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2d28 h GLU 60 CO 0.03 0.39 -0.68 0.28 -1.00 0.00 0.00 179.01 178.02 2d28 h VAL 61 N 0.38 1.39 -0.01 3.13 2.07 -0.88 -3.21 116.25 119.11 2d28 h VAL 61 Ca 0.11 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.53 2d28 h VAL 61 Cb 0.08 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2d28 h VAL 61 CO -0.02 0.63 -0.45 0.18 0.02 0.00 0.00 177.57 177.93 2d28 n LEU 62 N -3.84 1.83 -1.22 2.57 4.77 -0.59 -4.97 117.00 115.55 2d28 n LEU 62 Ca -0.03 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.16 2d28 n LEU 62 Cb 0.68 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 2d28 n LEU 62 CO 0.47 0.34 -0.14 0.61 -1.33 0.00 0.00 177.39 177.34 2d28 n GLY 63 N 1.41 0.27 3.89 -0.72 0.00 0.37 -5.00 105.19 105.40 2d28 n GLY 63 Ca 0.10 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2d28 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d28 s LEU 64 N -3.20 4.18 0.62 0.99 1.43 -0.84 -5.03 118.68 116.83 2d28 s LEU 64 Ca 0.00 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 2d28 s LEU 64 Cb 0.00 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 2d28 s LEU 64 CO 0.00 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2d28 s PRO 65 N -2.92 3.06 -0.12 1.29 0.04 -1.26 -4.68 135.00 130.41 2d28 s PRO 65 Ca 0.33 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 2d28 s PRO 65 Cb -0.12 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2d28 s PRO 65 CO 0.27 -1.04 -0.01 -0.51 0.04 0.00 0.00 177.00 175.74 2d28 s LEU 66 N -4.61 3.44 -0.01 -3.56 1.43 -1.26 -0.67 118.68 113.44 2d28 s LEU 66 Ca 0.66 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2d28 s LEU 66 Cb -0.19 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 2d28 s LEU 66 CO 0.38 0.28 -0.13 -0.69 0.23 0.00 0.00 176.35 176.42 2d28 s VAL 67 N -0.29 1.06 0.37 -1.59 1.01 0.02 -4.90 120.40 116.08 2d28 s VAL 67 Ca 0.06 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2d28 s VAL 67 Cb -0.12 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 2d28 s VAL 67 CO 0.02 0.27 0.03 1.51 0.00 0.00 0.00 175.10 176.93 2d28 s ASP 68 N -0.40 3.21 0.57 3.32 1.47 -1.26 -4.38 116.67 119.20 2d28 s ASP 68 Ca 0.05 -1.38 0.31 0.00 1.18 0.00 0.00 52.55 52.70 2d28 s ASP 68 Cb -0.05 -0.23 1.71 0.00 -0.34 0.00 0.00 42.92 44.01 2d28 s ASP 68 CO -0.00 -0.53 2.18 0.00 0.68 0.00 0.00 175.17 177.49 2d28 h ALA 69 N 1.91 1.33 0.00 2.11 0.00 -1.95 0.13 119.26 122.79 2d28 h ALA 69 Ca -0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2d28 h ALA 69 Cb 1.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2d28 h ALA 69 CO 0.76 0.07 -0.10 0.00 0.00 0.00 0.00 179.25 179.98 2d28 h ARG 70 N 0.00 0.00 -0.00 0.00 3.08 -2.02 -2.93 114.38 112.50 2d28 h ARG 70 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2d28 h ARG 70 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2d28 h ARG 70 CO 0.01 0.10 -0.06 1.04 -1.07 0.00 0.00 179.97 179.98 2d28 n GLN 71 N -4.35 0.47 -4.46 0.04 6.02 0.03 -4.81 117.38 110.33 2d28 n GLN 71 Ca -0.03 -0.09 -0.34 0.00 -0.01 0.00 0.00 57.00 56.54 2d28 n GLN 71 Cb 0.18 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 2d28 n GLN 71 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2d28 s LEU 72 N -2.59 3.01 0.00 1.08 1.43 -1.11 -5.06 118.68 115.44 2d28 s LEU 72 Ca 0.27 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 2d28 s LEU 72 Cb 0.20 -1.72 0.23 0.00 0.03 0.00 0.00 46.19 44.93 2d28 s LEU 72 CO 0.48 0.14 0.89 0.61 0.23 0.00 0.00 176.35 178.70 2d28 n GLY 73 N 3.72 -2.51 0.17 -3.19 0.00 -1.26 -5.00 105.19 97.13 2d28 n GLY 73 Ca -0.18 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.38 2d28 n GLY 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d28 h ASP 74 N -2.22 0.00 -4.44 1.61 3.32 -2.00 -3.45 116.42 109.24 2d28 h ASP 74 Ca -0.33 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.47 2d28 h ASP 74 Cb 0.99 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 2d28 h ASP 74 CO 0.22 0.35 -0.70 0.42 -1.72 0.00 0.00 179.24 177.81 2d28 s THR 75 N -3.20 0.82 0.38 0.35 -4.23 -1.26 -4.62 115.64 103.88 2d28 s THR 75 Ca 0.03 -1.94 -0.28 0.00 -1.18 0.00 0.00 61.69 58.33 2d28 s THR 75 Cb 0.08 -1.69 -0.11 0.00 1.34 0.00 0.00 72.50 72.12 2d28 s THR 75 CO 0.70 -0.82 1.43 -2.65 -0.54 0.00 0.00 174.62 172.74 2d28 n PRO 76 N -0.03 2.48 0.05 3.99 -0.02 -1.26 -4.94 135.00 135.27 2d28 n PRO 76 Ca -0.12 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 2d28 n PRO 76 Cb 0.61 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 2d28 n PRO 76 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2d28 h PRO 77 N 2.75 -0.12 0.00 0.52 0.13 -1.97 -3.53 132.00 129.79 2d28 h PRO 77 Ca -0.50 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2d28 h PRO 77 Cb 1.26 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2d28 h PRO 77 CO 0.63 -0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 2d28 n GLU 78 N -5.18 0.00 0.00 0.86 1.02 -1.26 -5.17 120.64 110.90 2d28 n GLU 78 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2d28 n GLU 78 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 2d28 n GLU 78 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2d28 n GLU 82 N -0.51 0.98 -3.20 3.49 0.28 -1.26 -5.13 120.64 115.29 2d28 n GLU 82 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2d28 n GLU 82 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2d28 n GLU 82 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2d28 s VAL 83 N 0.00 -0.11 0.15 3.84 1.01 -1.26 -5.14 120.40 118.89 2d28 s VAL 83 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2d28 s VAL 83 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2d28 s VAL 83 CO 0.00 0.00 0.24 -1.10 0.00 0.00 0.00 175.10 174.24 2d28 s GLN 84 N 2.26 3.29 0.00 2.72 -1.52 -1.26 -4.69 119.66 120.47 2d28 s GLN 84 Ca -0.01 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.73 2d28 s GLN 84 Cb -0.03 -2.88 0.00 0.00 -0.22 0.00 0.00 33.01 29.88 2d28 s GLN 84 CO -0.15 0.52 0.00 0.41 -0.25 0.00 0.00 175.29 175.82 2d28 n GLY 85 N -0.45 0.87 3.21 3.09 0.00 -1.26 -3.71 105.19 106.94 2d28 n GLY 85 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2d28 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d28 s LEU 86 N 0.00 3.67 0.60 0.99 1.43 -1.26 -4.87 118.68 119.24 2d28 s LEU 86 Ca 0.00 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 51.94 2d28 s LEU 86 Cb 0.00 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2d28 s LEU 86 CO 0.00 -0.21 1.00 -0.94 0.23 0.00 0.00 176.35 176.43 2d28 s SER 87 N 1.32 6.24 0.25 2.29 1.04 -1.26 -4.93 113.70 118.65 2d28 s SER 87 Ca -0.02 1.37 -0.03 0.00 0.48 0.00 0.00 55.95 57.74 2d28 s SER 87 Cb -0.18 -2.45 0.40 0.00 0.10 0.00 0.00 66.02 63.89 2d28 s SER 87 CO -0.02 -0.84 1.85 0.25 0.98 0.00 0.00 173.24 175.46 2d28 h LEU 88 N -0.25 0.86 -0.26 2.42 5.85 -2.00 -2.11 115.31 119.81 2d28 h LEU 88 Ca -0.44 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2d28 h LEU 88 Cb 1.19 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2d28 h LEU 88 CO 0.62 0.52 0.11 -0.09 -0.34 0.00 0.00 178.44 179.26 2d28 h ARG 89 N 0.98 0.23 -0.21 1.25 2.43 -1.99 -2.12 114.38 114.94 2d28 h ARG 89 Ca 0.41 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.62 2d28 h ARG 89 Cb 0.27 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 2d28 h ARG 89 CO -0.21 0.15 -0.14 0.35 -1.51 0.00 0.00 179.97 178.62 2d28 h PHE 90 N 0.24 -0.34 -0.63 2.20 3.57 -1.82 0.38 116.94 120.54 2d28 h PHE 90 Ca 0.11 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.77 2d28 h PHE 90 Cb 0.06 0.18 -0.11 0.00 2.79 0.00 0.00 35.95 38.88 2d28 h PHE 90 CO -0.11 -0.20 0.02 -0.07 -2.23 0.00 0.00 178.31 175.71 2d28 h LEU 91 N -0.13 -0.25 -0.33 0.59 3.38 -1.00 -0.64 115.31 116.94 2d28 h LEU 91 Ca 0.12 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2d28 h LEU 91 Cb 0.31 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2d28 h LEU 91 CO -0.29 -0.11 -0.07 0.11 0.09 0.00 0.00 178.44 178.17 2d28 h LYS 92 N 0.13 0.63 -0.68 1.13 1.57 -0.92 0.25 116.57 118.68 2d28 h LYS 92 Ca 0.33 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2d28 h LYS 92 Cb 0.54 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2d28 h LYS 92 CO -0.53 0.80 0.28 0.37 -0.57 0.00 0.00 179.45 179.80 2d28 h GLN 93 N 0.41 1.01 -0.00 3.15 4.15 -0.61 -3.14 115.11 120.08 2d28 h GLN 93 Ca 0.08 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2d28 h GLN 93 Cb 0.56 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2d28 h GLN 93 CO 0.03 0.83 -0.64 1.19 -1.93 0.00 0.00 178.83 178.31 2d28 n PHE 94 N -4.40 0.00 -3.35 3.99 3.72 -0.27 -4.99 117.46 112.15 2d28 n PHE 94 Ca 0.05 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.26 2d28 n PHE 94 Cb 0.17 -0.18 0.06 0.00 -0.94 0.00 0.00 39.48 38.59 2d28 n PHE 94 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2d28 n HIS 95 N -1.49 -2.34 -3.84 1.38 8.25 0.82 -4.67 115.22 113.33 2d28 n HIS 95 Ca 0.05 0.76 -0.09 0.00 -0.26 0.00 0.00 57.72 58.18 2d28 n HIS 95 Cb 0.33 -3.95 -0.06 0.00 1.12 0.00 0.00 29.99 27.43 2d28 n HIS 95 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2d28 s LEU 96 N -5.62 1.03 -0.27 2.41 0.05 -0.94 -2.19 118.68 113.15 2d28 s LEU 96 Ca 0.45 -0.65 -0.10 0.00 0.05 0.00 0.00 54.13 53.88 2d28 s LEU 96 Cb -0.09 1.29 0.11 0.00 -2.05 0.00 0.00 46.19 45.45 2d28 s LEU 96 CO 0.77 -0.82 0.59 0.00 -0.55 0.00 0.00 176.35 176.34 2d28 s PRO 98 N 2.63 4.25 0.00 0.00 0.02 -1.26 -1.50 135.00 139.13 2d28 s PRO 98 Ca -0.06 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2d28 s PRO 98 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2d28 s PRO 98 CO -0.17 -0.49 0.26 1.33 -0.33 0.00 0.00 177.00 177.60 2d28 n VAL 99 N 3.03 0.00 0.00 3.83 0.24 0.28 -4.94 118.33 120.78 2d28 n VAL 99 Ca 0.10 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2d28 n VAL 99 Cb 0.40 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 2d28 n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d28 n GLY 100 N 0.35 1.22 2.74 7.63 0.00 -1.23 -4.68 105.19 111.22 2d28 n GLY 100 Ca 0.00 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 2d28 n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d28 s GLU 101 N -2.00 0.42 -0.07 1.61 2.12 -1.26 0.13 118.70 119.65 2d28 s GLU 101 Ca 0.00 0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.46 2d28 s GLU 101 Cb 0.00 -0.85 0.02 0.00 0.26 0.00 0.00 34.13 33.56 2d28 s GLU 101 CO 0.00 -0.31 0.17 1.03 -0.54 0.00 0.00 175.26 175.61 2d28 s ARG 102 N 2.03 0.18 -1.66 4.30 0.52 -0.07 -4.90 118.95 119.35 2d28 s ARG 102 Ca 0.05 0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.40 2d28 s ARG 102 Cb -0.12 0.03 0.12 0.00 0.52 0.00 0.00 34.95 35.50 2d28 s ARG 102 CO -0.05 -0.06 0.62 -0.25 0.02 0.00 0.00 175.30 175.58 2d28 n ASP 103 N 3.31 -2.12 -0.02 0.23 8.00 -1.26 -1.21 116.55 123.49 2d28 n ASP 103 Ca -0.16 -1.07 -0.00 0.00 0.71 0.00 0.00 54.79 54.27 2d28 n ASP 103 Cb 0.57 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.12 39.12 2d28 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d28 n GLY 104 N -1.58 0.41 3.37 0.44 0.00 -1.26 -5.02 105.19 101.54 2d28 n GLY 104 Ca -0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2d28 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d28 s ARG 105 N -0.52 1.85 -0.27 1.61 0.52 -0.35 -4.38 118.95 117.41 2d28 s ARG 105 Ca 0.00 -1.09 -0.24 0.00 -0.52 0.00 0.00 55.73 53.88 2d28 s ARG 105 Cb 0.00 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 2d28 s ARG 105 CO 0.00 0.52 0.82 -1.17 0.02 0.00 0.00 175.30 175.48 2d28 s LEU 106 N -1.29 4.07 -0.17 2.53 2.96 0.40 -0.89 118.68 126.30 2d28 s LEU 106 Ca 0.12 0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 54.64 2d28 s LEU 106 Cb -0.10 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.43 2d28 s LEU 106 CO 0.03 -0.56 1.26 -1.81 -1.32 0.00 0.00 176.35 173.95 2d28 s ASP 107 N 1.45 6.94 -0.17 3.68 1.01 0.12 -0.36 116.67 129.34 2d28 s ASP 107 Ca 0.34 1.66 0.01 0.00 0.71 0.00 0.00 52.55 55.27 2d28 s ASP 107 Cb -0.15 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.27 2d28 s ASP 107 CO 0.09 -0.77 -0.17 -0.22 0.21 0.00 0.00 175.17 174.31 2d28 s LEU 108 N 3.53 2.01 -0.11 1.23 2.96 -0.12 -0.55 118.68 127.63 2d28 s LEU 108 Ca 0.54 -0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 53.55 2d28 s LEU 108 Cb -0.21 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2d28 s LEU 108 CO 0.15 -0.04 0.91 0.86 -1.32 0.00 0.00 176.35 176.91 2d28 s TRP 109 N 1.37 3.51 -0.01 5.38 -0.00 -0.56 -0.84 118.94 127.78 2d28 s TRP 109 Ca 0.04 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 2d28 s TRP 109 Cb -0.13 -3.08 0.01 0.00 -0.00 0.00 0.00 33.47 30.27 2d28 s TRP 109 CO -0.11 -0.16 0.01 -1.50 -0.00 0.00 0.00 176.95 175.18 2d28 s ILE 110 N 1.77 0.04 0.08 5.86 2.07 0.70 -0.95 121.20 130.78 2d28 s ILE 110 Ca 0.44 0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.67 2d28 s ILE 110 Cb -0.18 -0.10 -0.26 0.00 0.13 0.00 0.00 42.46 42.05 2d28 s ILE 110 CO 0.18 0.06 1.18 0.00 -1.91 0.00 0.00 174.94 174.45 2d28 h ALA 111 N 6.73 0.13 -2.32 1.50 0.00 -1.61 -2.30 119.26 121.39 2d28 h ALA 111 Ca -0.35 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.18 2d28 h ALA 111 Cb 1.16 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.59 2d28 h ALA 111 CO 0.49 0.80 -0.67 -0.25 0.00 0.00 0.00 179.25 179.62 2d28 n ASP 112 N -3.71 3.02 0.00 0.00 8.00 -1.26 -4.79 116.55 117.80 2d28 n ASP 112 Ca -0.10 -3.27 0.08 0.00 0.71 0.00 0.00 54.79 52.21 2d28 n ASP 112 Cb 0.95 -0.68 0.41 0.00 -0.02 0.00 0.00 41.12 41.78 2d28 n ASP 112 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2d28 n PRO 113 N 1.18 0.18 0.00 -0.24 -0.04 -1.26 -1.65 135.00 133.16 2d28 n PRO 113 Ca 0.27 0.15 0.15 0.00 -0.04 0.00 0.00 63.50 64.03 2d28 n PRO 113 Cb 0.42 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.11 2d28 n PRO 113 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2d28 n TYR 114 N -1.34 0.00 -3.07 0.54 0.18 -1.26 -4.74 117.16 107.47 2d28 n TYR 114 Ca 0.07 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.40 2d28 n TYR 114 Cb 0.15 -0.29 -0.02 0.00 -0.38 0.00 0.00 39.34 38.80 2d28 n TYR 114 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2d28 s ASP 115 N -2.60 6.78 0.51 9.48 -1.08 -0.66 -4.79 116.67 124.31 2d28 s ASP 115 Ca 0.27 -2.47 0.24 0.00 -0.52 0.00 0.00 52.55 50.08 2d28 s ASP 115 Cb 0.20 -2.33 1.38 0.00 -1.46 0.00 0.00 42.92 40.71 2d28 s ASP 115 CO 0.47 -0.82 2.07 -2.24 0.52 0.00 0.00 175.17 175.17 2d28 h ASP 116 N 8.15 0.00 -0.16 -0.34 2.03 -1.88 -2.18 116.42 122.05 2d28 h ASP 116 Ca 0.17 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.46 2d28 h ASP 116 Cb 1.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.49 2d28 h ASP 116 CO 1.02 0.12 0.07 0.22 -1.03 0.00 0.00 179.24 179.64 2d28 h TYR 117 N 0.00 0.25 -0.32 4.15 3.20 -1.99 -0.12 116.97 122.14 2d28 h TYR 117 Ca -0.00 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2d28 h TYR 117 Cb 0.29 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2d28 h TYR 117 CO 0.00 0.30 0.06 0.00 -1.64 0.00 0.00 178.16 176.88 2d28 h ALA 118 N 0.92 0.42 -0.25 1.82 0.00 -1.87 -0.54 119.26 119.76 2d28 h ALA 118 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2d28 h ALA 118 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2d28 h ALA 118 CO -0.01 0.11 0.09 0.82 0.00 0.00 0.00 179.25 180.27 2d28 h ILE 119 N 0.35 1.17 -0.39 0.00 2.04 -1.36 -1.43 117.51 117.90 2d28 h ILE 119 Ca 0.10 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2d28 h ILE 119 Cb 0.34 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2d28 h ILE 119 CO 0.01 0.18 0.15 0.44 0.00 0.00 0.00 178.15 178.92 2d28 h ASP 120 N 0.24 0.49 -0.72 1.72 3.32 -0.91 -0.55 116.42 120.02 2d28 h ASP 120 Ca 0.08 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2d28 h ASP 120 Cb 0.19 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 2d28 h ASP 120 CO -0.01 0.46 0.44 0.00 -1.72 0.00 0.00 179.24 178.41 2d28 h ALA 121 N 1.62 0.95 -0.30 3.45 0.00 -0.78 -0.97 119.26 123.23 2d28 h ALA 121 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2d28 h ALA 121 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2d28 h ALA 121 CO -0.01 0.20 -0.42 0.28 0.00 0.00 0.00 179.25 179.29 2d28 h VAL 122 N 0.85 1.29 -0.45 0.00 2.07 -0.69 0.25 116.25 119.57 2d28 h VAL 122 Ca 0.30 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.21 2d28 h VAL 122 Cb 0.07 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2d28 h VAL 122 CO -0.13 0.52 0.27 0.03 0.02 0.00 0.00 177.57 178.28 2d28 h ARG 123 N 0.57 0.61 -0.24 1.57 3.08 -0.88 -0.36 114.38 118.74 2d28 h ARG 123 Ca 0.03 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2d28 h ARG 123 Cb 1.02 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2d28 h ARG 123 CO 0.10 0.45 -0.40 1.25 -1.07 0.00 0.00 179.97 180.30 2d28 h LEU 124 N 0.60 0.77 -0.51 3.04 5.85 -1.02 -0.91 115.31 123.12 2d28 h LEU 124 Ca 0.16 -0.53 -0.16 0.00 0.84 0.00 0.00 57.88 58.19 2d28 h LEU 124 Cb -0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2d28 h LEU 124 CO -0.03 1.15 -0.53 0.00 -0.34 0.00 0.00 178.44 178.68 2d28 h ALA 125 N 0.64 0.69 0.00 1.25 0.00 -0.73 -3.23 119.26 117.88 2d28 h ALA 125 Ca 0.02 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 2d28 h ALA 125 Cb 1.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2d28 h ALA 125 CO 0.09 0.68 -1.46 1.79 0.00 0.00 0.00 179.25 180.36 2d28 h THR 126 N 0.45 0.67 -0.72 0.00 1.35 -1.10 -3.37 112.91 110.19 2d28 h THR 126 Ca 0.01 -2.29 -0.31 0.00 -0.55 0.00 0.00 66.41 63.28 2d28 h THR 126 Cb 1.08 2.20 -0.12 0.00 -1.73 0.00 0.00 68.15 69.58 2d28 h THR 126 CO 0.10 0.38 -0.28 0.61 -0.25 0.00 0.00 175.52 176.08 2d28 n GLY 127 N 1.44 1.52 3.58 5.82 0.00 -0.35 -4.72 105.19 112.48 2d28 n GLY 127 Ca -0.11 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2d28 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d28 s LEU 128 N -3.45 3.10 0.26 0.99 1.43 -1.25 -5.06 118.68 114.69 2d28 s LEU 128 Ca 0.00 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2d28 s LEU 128 Cb 0.00 -1.81 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 2d28 s LEU 128 CO 0.00 0.25 1.22 -2.16 0.23 0.00 0.00 176.35 175.90 2d28 s PRO 129 N -1.61 4.48 0.07 1.29 0.04 -1.26 -4.77 135.00 133.24 2d28 s PRO 129 Ca 0.18 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2d28 s PRO 129 Cb -0.11 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2d28 s PRO 129 CO 0.09 -0.06 0.18 -0.51 0.04 0.00 0.00 177.00 176.74 2d28 s LEU 130 N -0.98 4.21 -0.20 -3.56 1.43 -1.26 -0.45 118.68 117.87 2d28 s LEU 130 Ca 0.50 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2d28 s LEU 130 Cb -0.35 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2d28 s LEU 130 CO 0.43 0.16 -0.16 -0.22 0.23 0.00 0.00 176.35 176.79 2d28 s LEU 131 N -2.54 2.43 0.01 1.79 2.96 0.52 -4.83 118.68 119.01 2d28 s LEU 131 Ca 0.33 -0.86 -0.22 0.00 -0.22 0.00 0.00 54.13 53.17 2d28 s LEU 131 Cb -0.13 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 2d28 s LEU 131 CO 0.26 -0.08 0.65 -0.76 -1.32 0.00 0.00 176.35 175.11 2d28 s LEU 132 N 1.28 4.42 -0.08 -0.68 1.43 -1.26 -0.95 118.68 122.85 2d28 s LEU 132 Ca 0.01 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2d28 s LEU 132 Cb -0.15 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.07 2d28 s LEU 132 CO -0.10 0.07 -0.09 -1.00 0.23 0.00 0.00 176.35 175.46 2d28 s HIS 133 N -0.10 1.31 0.12 0.29 3.76 -0.02 -4.44 115.29 116.21 2d28 s HIS 133 Ca 0.33 -0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 54.43 2d28 s HIS 133 Cb -0.19 -1.04 -0.07 0.00 1.11 0.00 0.00 32.58 32.39 2d28 s HIS 133 CO 0.19 -0.35 0.88 0.08 -0.85 0.00 0.00 174.74 174.69 2d28 s VAL 134 N 1.12 4.46 0.06 -0.90 1.01 0.15 -0.21 120.40 126.10 2d28 s VAL 134 Ca -0.06 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.83 2d28 s VAL 134 Cb -0.14 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2d28 s VAL 134 CO -0.01 0.39 -0.06 -0.83 0.00 0.00 0.00 175.10 174.59 2d28 s GLY 135 N -0.41 0.55 0.22 4.51 0.00 -0.86 -0.80 107.32 110.53 2d28 s GLY 135 Ca 0.42 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 2d28 s GLY 135 CO 0.28 -1.05 1.40 1.08 0.00 0.00 0.00 173.10 174.80 2d28 s LEU 136 N -2.17 4.40 0.21 0.66 1.02 -1.26 -4.23 118.68 117.30 2d28 s LEU 136 Ca -0.02 2.55 -0.14 0.00 0.02 0.00 0.00 54.13 56.53 2d28 s LEU 136 Cb -0.03 -3.61 0.23 0.00 0.02 0.00 0.00 46.19 42.79 2d28 s LEU 136 CO -0.03 -0.64 1.62 -0.09 0.02 0.00 0.00 176.35 177.23 2d28 h ARG 137 N 5.36 -0.03 0.00 1.70 2.43 -1.90 -1.13 114.38 120.81 2d28 h ARG 137 Ca -0.45 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2d28 h ARG 137 Cb 1.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2d28 h ARG 137 CO 0.79 -0.02 -0.59 0.77 -1.51 0.00 0.00 179.97 179.41 2d28 h SER 138 N -0.03 0.00 -0.49 -3.80 0.02 -1.98 -1.05 113.55 106.22 2d28 h SER 138 Ca 0.30 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2d28 h SER 138 Cb 0.49 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2d28 h SER 138 CO -0.67 0.59 0.01 -0.33 -1.14 0.00 0.00 176.83 175.29 2d28 h GLU 139 N 0.00 0.86 -0.16 3.45 5.08 -1.68 -0.87 114.58 121.27 2d28 h GLU 139 Ca -0.01 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2d28 h GLU 139 Cb 1.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2d28 h GLU 139 CO 0.08 0.90 0.10 0.82 -1.00 0.00 0.00 179.01 179.90 2d28 h ILE 140 N 0.73 1.07 -0.87 3.13 2.04 -1.03 -2.03 117.51 120.55 2d28 h ILE 140 Ca 0.14 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2d28 h ILE 140 Cb 0.50 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 2d28 h ILE 140 CO 0.02 0.07 0.54 0.44 0.00 0.00 0.00 178.15 179.22 2d28 h ASP 141 N 0.18 0.85 -0.36 1.72 3.32 -1.09 -0.11 116.42 120.94 2d28 h ASP 141 Ca 0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2d28 h ASP 141 Cb 0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2d28 h ASP 141 CO -0.01 0.55 0.13 0.44 -1.72 0.00 0.00 179.24 178.62 2d28 h ASP 142 N 0.99 0.51 -0.51 6.45 3.32 -1.09 -2.23 116.42 123.86 2d28 h ASP 142 Ca 0.38 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2d28 h ASP 142 Cb 0.17 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2d28 h ASP 142 CO -0.17 0.56 0.13 0.25 -1.72 0.00 0.00 179.24 178.30 2d28 h LEU 143 N 0.43 0.76 -0.40 1.55 5.85 -0.95 -0.61 115.31 121.95 2d28 h LEU 143 Ca 0.12 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2d28 h LEU 143 Cb 0.22 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2d28 h LEU 143 CO -0.01 0.79 0.08 0.40 -0.34 0.00 0.00 178.44 179.36 2d28 h ILE 144 N 0.70 0.79 -0.36 4.05 2.04 -0.70 0.21 117.51 124.25 2d28 h ILE 144 Ca 0.16 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 2d28 h ILE 144 Cb 0.31 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2d28 h ILE 144 CO -0.00 0.04 -0.18 -0.08 0.00 0.00 0.00 178.15 177.92 2d28 h GLU 145 N 0.20 0.75 -0.45 2.37 4.57 -1.10 0.13 114.58 121.07 2d28 h GLU 145 Ca 0.19 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2d28 h GLU 145 Cb 0.23 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2d28 h GLU 145 CO -0.25 0.95 0.23 -0.09 -1.18 0.00 0.00 179.01 178.67 2d28 h ARG 146 N 0.54 0.63 0.00 1.92 2.43 -0.86 -2.92 114.38 116.13 2d28 h ARG 146 Ca 0.08 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2d28 h ARG 146 Cb 0.73 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2d28 h ARG 146 CO 0.05 0.52 -0.65 -1.49 -1.51 0.00 0.00 179.97 176.89 2d28 h TRP 147 N 0.58 0.00 -4.29 2.20 4.06 -0.52 -3.47 115.95 114.51 2d28 h TRP 147 Ca 0.16 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.77 2d28 h TRP 147 Cb 0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.10 2d28 h TRP 147 CO -0.02 0.65 -0.59 0.71 -3.56 0.00 0.00 178.44 175.64 2d28 s TYR 148 N -3.11 1.43 0.00 0.49 2.02 0.45 -4.81 117.35 113.82 2d28 s TYR 148 Ca 0.01 -1.37 0.00 0.00 -0.37 0.00 0.00 57.07 55.34 2d28 s TYR 148 Cb 0.10 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.93 2d28 s TYR 148 CO 0.76 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 174.57