#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dly s SER 2 N 0.00 -0.09 0.22 1.61 0.01 -1.26 -5.04 113.70 109.15 2dly s SER 2 Ca 0.00 0.54 -0.07 0.00 1.31 0.00 0.00 55.95 57.73 2dly s SER 2 Cb 0.00 0.48 0.34 0.00 0.21 0.00 0.00 66.02 67.05 2dly s SER 2 CO 0.00 -0.19 1.77 0.77 0.41 0.00 0.00 173.24 176.00 2dly h SER 3 N 7.49 0.42 -5.00 2.44 4.64 -2.11 -3.48 113.55 117.95 2dly h SER 3 Ca -0.34 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2dly h SER 3 Cb 1.14 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2dly h SER 3 CO 0.31 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2dly n GLY 4 N -1.30 3.17 1.25 -0.77 0.00 -1.26 -5.08 105.19 101.20 2dly n GLY 4 Ca 0.11 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2dly n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dly n SER 5 N 0.00 0.69 -2.94 1.61 2.88 -1.26 -5.05 113.62 109.55 2dly n SER 5 Ca 0.00 0.19 -0.18 0.00 -1.33 0.00 0.00 58.87 57.55 2dly n SER 5 Cb 0.00 -0.14 0.07 0.00 -0.75 0.00 0.00 64.21 63.38 2dly n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dly n SER 6 N -3.34 -4.60 -2.45 -3.46 2.88 -1.26 -4.44 113.62 96.96 2dly n SER 6 Ca 0.00 -0.44 -0.02 0.00 -1.33 0.00 0.00 58.87 57.08 2dly n SER 6 Cb 0.00 -4.11 -0.02 0.00 -0.75 0.00 0.00 64.21 59.34 2dly n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dly n GLY 7 N -1.55 -5.18 3.51 0.46 0.00 -1.26 -5.04 105.19 96.14 2dly n GLY 7 Ca -0.05 0.68 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 2dly n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 8 N -0.57 2.77 -0.16 4.61 0.00 -1.26 -5.07 121.76 122.08 2dly s ALA 8 Ca -0.10 -1.52 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 2dly s ALA 8 Cb 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2dly s ALA 8 CO 0.27 0.47 -0.21 -1.91 0.00 0.00 0.00 175.76 174.38 2dly n GLU 9 N 0.20 0.48 -2.33 0.00 4.07 -1.26 -4.90 120.64 116.90 2dly n GLU 9 Ca -0.12 0.45 -0.42 0.00 -0.06 0.00 0.00 57.16 57.01 2dly n GLU 9 Cb 0.55 -1.63 -0.03 0.00 -0.06 0.00 0.00 31.44 30.28 2dly n GLU 9 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2dly s ASP 10 N -5.85 6.96 0.00 4.31 1.47 -1.26 -4.88 116.67 117.42 2dly s ASP 10 Ca -0.19 2.05 0.00 0.00 1.18 0.00 0.00 52.55 55.59 2dly s ASP 10 Cb 0.03 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 2dly s ASP 10 CO 0.29 -0.60 0.00 0.54 0.68 0.00 0.00 175.17 176.08 2dly n ARG 11 N 4.68 0.00 0.23 2.11 5.12 -1.26 -4.75 116.66 122.79 2dly n ARG 11 Ca 0.11 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.13 2dly n ARG 11 Cb 0.45 -0.43 0.56 0.00 -1.16 0.00 0.00 32.46 31.89 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2dly h SER 12 N 0.00 0.00 -0.52 0.55 4.64 -2.03 -2.84 113.55 113.35 2dly h SER 12 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 2dly h SER 12 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 2dly h SER 12 CO 0.00 0.21 0.68 0.25 -0.87 0.00 0.00 176.83 177.10 2dly h LEU 13 N 0.00 0.00 -1.48 5.97 6.46 -1.97 0.37 115.31 124.65 2dly h LEU 13 Ca -0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2dly h LEU 13 Cb 0.54 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2dly h LEU 13 CO 0.03 0.00 0.39 1.56 -0.62 0.00 0.00 178.44 179.80 2dly h GLN 14 N 0.00 0.66 0.00 1.25 1.08 -1.84 -0.78 115.11 115.47 2dly h GLN 14 Ca 0.24 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2dly h GLN 14 Cb 1.59 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2dly h GLN 14 CO -0.00 0.43 -0.03 0.00 -0.95 0.00 0.00 178.83 178.28 2dly h ALA 15 N 1.66 1.84 -2.11 3.87 0.00 -0.50 -3.43 119.26 120.58 2dly h ALA 15 Ca 0.24 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 54.51 2dly h ALA 15 Cb 0.10 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.95 2dly h ALA 15 CO -0.06 0.04 0.67 0.39 0.00 0.00 0.00 179.25 180.28 2dly n GLU 16 N -4.34 1.85 -0.04 0.00 -0.58 -0.30 -4.91 120.64 112.32 2dly n GLU 16 Ca -0.03 0.66 -0.13 0.00 -0.42 0.00 0.00 57.16 57.24 2dly n GLU 16 Cb 0.11 -2.38 -0.08 0.00 -0.57 0.00 0.00 31.44 28.53 2dly n GLU 16 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dly h PRO 17 N 5.26 0.25 0.00 3.49 0.13 -1.87 -2.93 132.00 136.31 2dly h PRO 17 Ca -0.46 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2dly h PRO 17 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dly h PRO 17 CO 0.84 0.67 0.00 -2.67 -0.23 0.00 0.00 178.00 176.60 2dly n TRP 18 N -4.65 0.08 -3.26 1.56 4.27 -1.26 -4.57 117.44 109.62 2dly n TRP 18 Ca -0.07 0.04 -0.39 0.00 -3.89 0.00 0.00 57.50 53.19 2dly n TRP 18 Cb 0.33 -0.56 -0.07 0.00 -1.36 0.00 0.00 31.31 29.65 2dly n TRP 18 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2dly s PHE 19 N -3.04 3.36 -0.15 -2.67 5.36 -1.11 -0.01 117.98 119.71 2dly s PHE 19 Ca 0.04 0.75 0.15 0.00 -0.96 0.00 0.00 56.93 56.90 2dly s PHE 19 Cb 0.06 -2.66 0.34 0.00 -0.34 0.00 0.00 43.02 40.41 2dly s PHE 19 CO 0.16 -0.11 1.17 1.19 -1.46 0.00 0.00 175.22 176.18 2dly n PHE 20 N 4.82 0.00 0.00 10.12 3.01 -1.05 -4.86 117.46 129.50 2dly n PHE 20 Ca -0.05 -1.15 0.00 0.00 1.01 0.00 0.00 57.45 57.26 2dly n PHE 20 Cb 0.50 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2dly n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dly n GLY 21 N -1.14 4.20 3.07 1.37 0.00 -1.26 -4.22 105.19 107.20 2dly n GLY 21 Ca 0.16 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2dly n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly s ALA 22 N -1.12 2.81 0.32 4.61 0.00 -1.26 0.69 121.76 127.80 2dly s ALA 22 Ca 0.00 -2.17 0.03 0.00 0.00 0.00 0.00 51.96 49.82 2dly s ALA 22 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2dly s ALA 22 CO 0.00 -1.48 0.11 0.96 0.00 0.00 0.00 175.76 175.35 2dly s ILE 23 N 1.05 0.66 0.16 0.00 -4.36 -1.26 -4.90 121.20 112.55 2dly s ILE 23 Ca 0.02 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 2dly s ILE 23 Cb -0.20 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 2dly s ILE 23 CO -0.06 0.00 0.25 -0.54 0.24 0.00 0.00 174.94 174.84 2dly s LYS 24 N -3.87 3.30 0.48 0.37 1.02 -1.26 -4.64 119.74 115.14 2dly s LYS 24 Ca 0.34 -0.68 0.29 0.00 0.02 0.00 0.00 55.97 55.94 2dly s LYS 24 Cb 0.06 -2.88 1.38 0.00 -0.52 0.00 0.00 37.83 35.87 2dly s LYS 24 CO 0.15 0.50 1.79 0.07 -0.92 0.00 0.00 175.35 176.95 2dly h ARG 25 N 2.13 0.15 -0.47 1.68 0.11 -1.99 0.35 114.38 116.35 2dly h ARG 25 Ca -0.48 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.52 2dly h ARG 25 Cb 1.20 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 2dly h ARG 25 CO 0.67 0.10 0.02 0.00 0.10 0.00 0.00 179.97 180.86 2dly h ALA 26 N 1.50 0.63 -0.28 0.08 0.00 -1.99 0.38 119.26 119.57 2dly h ALA 26 Ca 0.58 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2dly h ALA 26 Cb 1.97 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2dly h ALA 26 CO -0.13 0.40 -0.55 0.22 0.00 0.00 0.00 179.25 179.20 2dly h ASP 27 N 0.66 0.97 -0.55 0.00 1.82 -0.76 -2.85 116.42 115.71 2dly h ASP 27 Ca 0.13 -0.54 -0.11 0.00 -0.39 0.00 0.00 57.03 56.13 2dly h ASP 27 Cb 0.47 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2dly h ASP 27 CO 0.02 1.32 -0.09 0.00 -1.61 0.00 0.00 179.24 178.88 2dly h ALA 28 N 0.67 0.79 0.41 -0.78 0.00 -1.04 -3.10 119.26 116.21 2dly h ALA 28 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2dly h ALA 28 Cb 1.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dly h ALA 28 CO 0.12 0.67 -0.20 0.93 0.00 0.00 0.00 179.25 180.77 2dly h GLU 29 N 0.92 -0.54 -1.35 0.00 5.08 -0.91 -0.90 114.58 116.88 2dly h GLU 29 Ca 0.15 0.04 0.39 0.00 -1.00 0.00 0.00 59.36 58.93 2dly h GLU 29 Cb 0.65 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2dly h GLU 29 CO 0.05 -0.36 1.19 0.87 -1.00 0.00 0.00 179.01 179.76 2dly h LYS 30 N -0.56 0.00 0.14 2.33 1.57 -1.58 1.87 116.57 120.33 2dly h LYS 30 Ca -0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 2dly h LYS 30 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2dly h LYS 30 CO 0.09 0.00 -1.39 1.96 -0.57 0.00 0.00 179.45 179.54 2dly h GLN 31 N 0.00 0.30 0.02 3.15 1.08 -1.37 -3.17 115.11 115.12 2dly h GLN 31 Ca 0.64 -0.50 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 2dly h GLN 31 Cb 3.02 0.19 0.01 0.00 -0.05 0.00 0.00 27.48 30.64 2dly h GLN 31 CO -0.01 1.20 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.68 2dly h LEU 32 N 0.08 0.25 -2.83 1.46 3.38 0.41 -3.21 115.31 114.85 2dly h LEU 32 Ca -0.19 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.93 2dly h LEU 32 Cb 2.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2dly h LEU 32 CO 0.20 1.06 0.01 -0.07 0.09 0.00 0.00 178.44 179.73 2dly h LEU 33 N -0.54 0.00 -6.96 1.67 3.38 -0.64 -3.44 115.31 108.77 2dly h LEU 33 Ca -0.05 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.43 2dly h LEU 33 Cb 1.14 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.00 2dly h LEU 33 CO 0.06 0.00 -0.68 0.00 0.09 0.00 0.00 178.44 177.92 2dly n TYR 34 N -3.00 -1.41 0.09 1.13 9.36 -1.20 -4.87 117.16 117.26 2dly n TYR 34 Ca -0.03 0.53 -0.03 0.00 3.32 0.00 0.00 57.90 61.69 2dly n TYR 34 Cb 0.08 -1.40 -0.02 0.00 -0.63 0.00 0.00 39.34 37.37 2dly n TYR 34 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2dly h SER 35 N 0.34 -0.19 -0.81 2.98 0.87 -1.91 -2.94 113.55 111.89 2dly h SER 35 Ca -0.27 0.01 0.29 0.00 -1.23 0.00 0.00 61.79 60.59 2dly h SER 35 Cb 1.12 0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 62.98 2dly h SER 35 CO 0.38 -0.13 0.27 -0.62 -0.53 0.00 0.00 176.83 176.19 2dly n GLU 36 N -2.61 -0.05 -1.96 2.24 1.02 -1.26 -4.34 120.64 113.67 2dly n GLU 36 Ca -0.03 1.16 -0.34 0.00 -0.02 0.00 0.00 57.16 57.93 2dly n GLU 36 Cb 0.09 -1.98 0.03 0.00 -0.02 0.00 0.00 31.44 29.56 2dly n GLU 36 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2dly s ASN 37 N -4.77 5.28 0.31 1.62 0.01 -1.11 -5.05 114.94 111.23 2dly s ASN 37 Ca -0.09 2.15 0.04 0.00 -0.71 0.00 0.00 52.86 54.26 2dly s ASN 37 Cb 0.26 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2dly s ASN 37 CO 0.63 -1.52 0.29 -1.10 -1.51 0.00 0.00 177.10 173.90 2dly s GLN 38 N -3.66 1.68 -0.46 -0.60 -1.52 -1.26 -4.84 119.66 109.00 2dly s GLN 38 Ca 0.71 -1.89 -0.38 0.00 -1.95 0.00 0.00 55.36 51.84 2dly s GLN 38 Cb -0.24 0.34 -0.15 0.00 -0.22 0.00 0.00 33.01 32.74 2dly s GLN 38 CO 0.35 -0.63 2.21 2.41 -0.25 0.00 0.00 175.29 179.38 2dly n THR 39 N -0.55 0.09 0.00 -0.19 -1.04 -1.26 -1.48 114.28 109.85 2dly n THR 39 Ca 0.05 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2dly n THR 39 Cb 0.63 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2dly n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dly n GLY 40 N 6.94 1.25 3.62 3.41 0.00 0.15 -4.87 105.19 115.68 2dly n GLY 40 Ca 0.49 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.95 2dly n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dly n ALA 41 N 0.00 0.16 -2.44 4.61 0.00 -0.55 -3.62 120.51 118.68 2dly n ALA 41 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.46 2dly n ALA 41 Cb 0.00 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.04 2dly n ALA 41 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dly s PHE 42 N 4.62 2.19 -0.29 0.00 -0.71 -0.94 -0.08 117.98 122.76 2dly s PHE 42 Ca 1.03 -0.38 -0.15 0.00 -1.04 0.00 0.00 56.93 56.39 2dly s PHE 42 Cb -1.05 -1.05 0.12 0.00 -1.21 0.00 0.00 43.02 39.83 2dly s PHE 42 CO 0.62 0.51 0.81 -0.48 -1.34 0.00 0.00 175.22 175.34 2dly s LEU 43 N -2.86 -0.80 -0.05 -1.99 0.05 0.22 0.27 118.68 113.52 2dly s LEU 43 Ca 0.22 1.22 -0.05 0.00 0.05 0.00 0.00 54.13 55.57 2dly s LEU 43 Cb -0.07 2.09 -0.04 0.00 -2.05 0.00 0.00 46.19 46.12 2dly s LEU 43 CO 0.10 -0.19 0.18 -0.63 -0.55 0.00 0.00 176.35 175.27 2dly s ILE 44 N 1.84 5.44 0.17 1.48 1.09 0.98 -1.01 121.20 131.19 2dly s ILE 44 Ca -0.08 0.03 -0.00 0.00 -1.10 0.00 0.00 60.65 59.49 2dly s ILE 44 Cb -0.06 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.80 2dly s ILE 44 CO -0.18 0.44 0.07 0.00 -0.10 0.00 0.00 174.94 175.17 2dly s ARG 45 N -1.58 1.09 0.08 2.79 1.70 -0.53 -2.52 118.95 119.99 2dly s ARG 45 Ca 0.23 -1.54 -0.25 0.00 -0.47 0.00 0.00 55.73 53.70 2dly s ARG 45 Cb -0.13 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.27 2dly s ARG 45 CO 0.13 -0.27 0.75 -1.21 -1.08 0.00 0.00 175.30 173.63 2dly s GLU 46 N -4.04 4.50 -0.97 3.89 2.02 0.22 -0.88 118.70 123.43 2dly s GLU 46 Ca 0.29 1.07 -0.25 0.00 0.02 0.00 0.00 54.97 56.10 2dly s GLU 46 Cb 0.07 -3.32 -0.09 0.00 0.10 0.00 0.00 34.13 30.89 2dly s GLU 46 CO 0.06 0.40 2.05 -1.12 0.02 0.00 0.00 175.26 176.67 2dly s SER 47 N -0.47 4.70 0.20 -0.19 0.01 -0.79 -4.19 113.70 112.96 2dly s SER 47 Ca 0.37 -0.80 -0.23 0.00 1.31 0.00 0.00 55.95 56.60 2dly s SER 47 Cb -0.21 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.56 2dly s SER 47 CO 0.24 -3.25 1.55 -0.08 0.41 0.00 0.00 173.24 172.11 2dly h GLU 48 N 11.22 -0.06 -0.77 12.44 4.57 -1.91 0.36 114.58 140.43 2dly h GLU 48 Ca 0.10 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.46 2dly h GLU 48 Cb 0.99 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.47 2dly h GLU 48 CO 1.15 -0.04 0.16 0.66 -1.18 0.00 0.00 179.01 179.76 2dly h SER 49 N -0.06 -0.06 -3.35 1.04 4.64 -1.97 -3.35 113.55 110.44 2dly h SER 49 Ca 0.26 0.17 -0.55 0.00 -0.47 0.00 0.00 61.79 61.20 2dly h SER 49 Cb 0.54 0.24 -0.39 0.00 -0.31 0.00 0.00 62.40 62.48 2dly h SER 49 CO -0.89 -0.09 -0.77 -1.58 -0.87 0.00 0.00 176.83 172.63 2dly s GLN 50 N -6.03 0.89 0.70 4.77 0.74 0.13 -5.13 119.66 115.72 2dly s GLN 50 Ca -0.13 -0.62 -0.16 0.00 0.05 0.00 0.00 55.36 54.50 2dly s GLN 50 Cb 0.22 -2.22 0.02 0.00 1.10 0.00 0.00 33.01 32.13 2dly s GLN 50 CO 0.76 -0.66 1.25 0.21 -0.55 0.00 0.00 175.29 176.30 2dly s LYS 51 N 1.73 2.29 0.00 1.67 2.47 -1.10 -3.31 119.74 123.49 2dly s LYS 51 Ca -0.01 1.92 0.00 0.00 -1.56 0.00 0.00 55.97 56.32 2dly s LYS 51 Cb -0.18 -1.83 0.00 0.00 -1.46 0.00 0.00 37.83 34.36 2dly s LYS 51 CO -0.09 -1.76 0.00 0.41 0.16 0.00 0.00 175.35 174.07 2dly n GLY 52 N 0.68 3.03 3.86 5.54 0.00 -1.26 -4.99 105.19 112.06 2dly n GLY 52 Ca 0.15 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 2dly n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dly s ASP 53 N 0.00 3.44 0.14 1.61 1.01 -1.21 -4.94 116.67 116.72 2dly s ASP 53 Ca 0.00 0.59 -0.06 0.00 0.71 0.00 0.00 52.55 53.79 2dly s ASP 53 Cb 0.00 -0.90 -0.02 0.00 1.01 0.00 0.00 42.92 43.02 2dly s ASP 53 CO 0.00 -2.56 0.19 -0.36 0.21 0.00 0.00 175.17 172.65 2dly s PHE 54 N -3.60 0.50 -0.03 4.23 0.40 -1.24 -1.89 117.98 116.35 2dly s PHE 54 Ca 0.68 -0.89 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2dly s PHE 54 Cb -0.09 -0.20 0.03 0.00 0.51 0.00 0.00 43.02 43.27 2dly s PHE 54 CO 0.52 -0.62 -0.00 0.45 0.70 0.00 0.00 175.22 176.27 2dly s SER 55 N -2.97 0.44 -0.30 1.36 0.15 -0.06 -2.26 113.70 110.06 2dly s SER 55 Ca 0.17 -0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 2dly s SER 55 Cb 0.05 -0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2dly s SER 55 CO -0.02 -0.09 0.27 -0.22 1.20 0.00 0.00 173.24 174.38 2dly s LEU 56 N 0.97 4.23 -0.26 3.45 2.96 -0.32 -1.45 118.68 128.25 2dly s LEU 56 Ca -0.10 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2dly s LEU 56 Cb -0.13 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.34 2dly s LEU 56 CO -0.01 -0.17 0.02 -0.44 -1.32 0.00 0.00 176.35 174.42 2dly s SER 57 N 1.73 4.75 0.15 3.68 0.01 -0.18 -0.40 113.70 123.44 2dly s SER 57 Ca 0.09 -0.60 0.11 0.00 1.31 0.00 0.00 55.95 56.86 2dly s SER 57 Cb -0.16 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 2dly s SER 57 CO 0.11 -0.11 -0.23 -0.69 0.41 0.00 0.00 173.24 172.72 2dly s VAL 58 N 1.47 2.47 -0.16 3.43 1.01 -1.04 -0.61 120.40 126.98 2dly s VAL 58 Ca 0.03 -1.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.09 2dly s VAL 58 Cb -0.16 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 2dly s VAL 58 CO -0.00 0.01 0.28 -0.22 0.00 0.00 0.00 175.10 175.16 2dly s LEU 59 N -2.34 4.26 -0.50 3.92 2.96 0.88 -0.70 118.68 127.16 2dly s LEU 59 Ca 0.18 0.50 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2dly s LEU 59 Cb -0.09 -2.35 0.16 0.00 0.50 0.00 0.00 46.19 44.41 2dly s LEU 59 CO 0.09 0.13 0.36 -0.62 -1.32 0.00 0.00 176.35 174.98 2dly s ASP 60 N 0.33 2.85 -0.61 3.68 2.15 -0.53 -0.68 116.67 123.87 2dly s ASP 60 Ca 0.16 -3.17 -0.01 0.00 0.43 0.00 0.00 52.55 49.97 2dly s ASP 60 Cb -0.13 -0.87 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 2dly s ASP 60 CO 0.04 -0.17 0.51 -0.62 -0.17 0.00 0.00 175.17 174.76 2dly n GLU 61 N 2.78 -3.40 0.00 4.34 1.02 -1.26 -2.93 120.64 121.20 2dly n GLU 61 Ca 0.22 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2dly n GLU 61 Cb 0.41 -4.17 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 2dly n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dly n GLY 62 N -1.10 2.46 3.95 0.62 0.00 -1.26 -5.01 105.19 104.85 2dly n GLY 62 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2dly n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dly s VAL 63 N -2.75 3.42 -0.29 1.61 0.11 -1.15 -4.82 120.40 116.53 2dly s VAL 63 Ca 0.00 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 2dly s VAL 63 Cb 0.00 -3.31 0.08 0.00 -1.53 0.00 0.00 36.38 31.62 2dly s VAL 63 CO 0.00 -0.26 0.02 -0.69 -3.33 0.00 0.00 175.10 170.84 2dly s VAL 64 N -2.79 1.67 -0.55 2.04 1.01 -1.26 -1.45 120.40 119.07 2dly s VAL 64 Ca 0.53 -1.70 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 2dly s VAL 64 Cb -0.10 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.20 2dly s VAL 64 CO 0.41 -0.43 0.90 -0.54 0.00 0.00 0.00 175.10 175.44 2dly s LYS 65 N 1.25 3.29 -0.39 2.72 3.01 0.12 -4.91 119.74 124.84 2dly s LYS 65 Ca 0.04 -0.37 -0.25 0.00 -1.01 0.00 0.00 55.97 54.37 2dly s LYS 65 Cb -0.19 -4.07 0.02 0.00 -1.01 0.00 0.00 37.83 32.59 2dly s LYS 65 CO -0.12 -1.46 0.91 -1.01 0.51 0.00 0.00 175.35 174.19 2dly s HIS 66 N 3.76 3.05 -0.23 3.18 3.76 -1.26 -2.49 115.29 125.07 2dly s HIS 66 Ca 0.28 0.68 -0.07 0.00 -0.15 0.00 0.00 55.06 55.80 2dly s HIS 66 Cb -0.14 -3.69 -0.03 0.00 1.11 0.00 0.00 32.58 29.84 2dly s HIS 66 CO 0.18 -0.87 0.05 0.71 -0.85 0.00 0.00 174.74 173.96 2dly s TYR 67 N 3.49 3.09 0.06 1.40 2.02 0.47 -4.98 117.35 122.90 2dly s TYR 67 Ca 0.37 -0.37 -0.31 0.00 -0.37 0.00 0.00 57.07 56.40 2dly s TYR 67 Cb -0.12 -2.17 -0.06 0.00 -0.40 0.00 0.00 41.96 39.21 2dly s TYR 67 CO 0.20 -0.25 1.26 1.03 -1.57 0.00 0.00 175.55 176.21 2dly s ARG 68 N 1.26 4.39 -0.39 -0.62 1.81 -1.26 -1.17 118.95 122.97 2dly s ARG 68 Ca 0.04 1.85 -0.07 0.00 -1.72 0.00 0.00 55.73 55.83 2dly s ARG 68 Cb -0.15 -3.36 0.07 0.00 -0.45 0.00 0.00 34.95 31.06 2dly s ARG 68 CO 0.03 -0.34 0.19 0.42 -0.68 0.00 0.00 175.30 174.92 2dly s ILE 69 N 1.27 3.91 0.29 1.52 1.01 -0.96 -4.68 121.20 123.56 2dly s ILE 69 Ca 0.60 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 2dly s ILE 69 Cb -0.31 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2dly s ILE 69 CO 0.29 -0.41 0.53 -0.13 0.00 0.00 0.00 174.94 175.22 2dly s ARG 70 N 1.37 3.58 0.13 2.79 3.00 -0.87 -3.64 118.95 125.31 2dly s ARG 70 Ca 0.02 -0.12 0.09 0.00 0.00 0.00 0.00 55.73 55.73 2dly s ARG 70 Cb -0.22 -2.67 -0.04 0.00 0.00 0.00 0.00 34.95 32.02 2dly s ARG 70 CO 0.01 0.22 -0.19 1.03 0.00 0.00 0.00 175.30 176.37 2dly s ARG 71 N -3.70 1.72 0.33 3.54 0.52 -1.26 -0.73 118.95 119.38 2dly s ARG 71 Ca 0.42 -1.23 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 2dly s ARG 71 Cb -0.10 -2.07 0.06 0.00 0.52 0.00 0.00 34.95 33.36 2dly s ARG 71 CO 0.31 0.47 0.45 1.28 0.02 0.00 0.00 175.30 177.83 2dly n LEU 72 N 0.74 0.00 -0.12 2.53 7.99 -0.74 -4.99 117.00 122.41 2dly n LEU 72 Ca -0.16 -1.20 0.07 0.00 -0.01 0.00 0.00 56.01 54.72 2dly n LEU 72 Cb 0.53 -0.26 -0.06 0.00 -0.11 0.00 0.00 43.42 43.52 2dly n LEU 72 CO 0.28 -0.66 0.06 0.47 -1.51 0.00 0.00 177.39 176.03 2dly n ASP 73 N -2.77 1.02 0.00 -1.43 8.00 -1.26 -4.64 116.55 115.46 2dly n ASP 73 Ca 0.08 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2dly n ASP 73 Cb 0.30 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dly n GLU 74 N -0.95 0.00 0.00 -1.24 0.28 -1.26 -5.04 120.64 112.43 2dly n GLU 74 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2dly n GLU 74 Cb 0.27 -0.90 0.00 0.00 1.43 0.00 0.00 31.44 32.24 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dly n GLY 75 N 3.32 1.00 0.00 -1.84 0.00 -1.26 -5.13 105.19 101.28 2dly n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dly n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dly n GLY 76 N 5.00 -0.01 3.46 -0.02 0.00 -1.18 -4.86 105.19 107.58 2dly n GLY 76 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2dly n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dly s PHE 77 N 0.58 2.52 -0.22 1.61 0.08 -1.11 -1.78 117.98 119.66 2dly s PHE 77 Ca 0.00 -0.28 -0.15 0.00 0.12 0.00 0.00 56.93 56.62 2dly s PHE 77 Cb 0.00 -1.40 0.06 0.00 -0.57 0.00 0.00 43.02 41.11 2dly s PHE 77 CO 0.00 0.30 0.55 -0.59 -0.10 0.00 0.00 175.22 175.38 2dly s PHE 78 N -1.01 -0.73 -0.15 0.36 -0.71 0.10 -0.55 117.98 115.28 2dly s PHE 78 Ca 0.16 1.60 0.22 0.00 -1.04 0.00 0.00 56.93 57.87 2dly s PHE 78 Cb -0.10 0.34 -0.18 0.00 -1.21 0.00 0.00 43.02 41.87 2dly s PHE 78 CO 0.07 -0.37 0.75 -0.11 -1.34 0.00 0.00 175.22 174.21 2dly n LEU 79 N 3.65 0.40 -3.79 -1.99 7.94 -1.26 -2.04 117.00 119.91 2dly n LEU 79 Ca -0.18 0.13 -0.13 0.00 -1.11 0.00 0.00 56.01 54.72 2dly n LEU 79 Cb 0.57 -0.03 -0.13 0.00 0.53 0.00 0.00 43.42 44.35 2dly n LEU 79 CO 0.05 -0.07 -0.22 0.28 -1.11 0.00 0.00 177.39 176.32 2dly s THR 80 N -3.43 -0.02 0.62 1.96 -1.32 -1.26 -4.91 115.64 107.27 2dly s THR 80 Ca -0.04 0.08 0.29 0.00 -1.21 0.00 0.00 61.69 60.81 2dly s THR 80 Cb 0.12 -0.22 0.35 0.00 -1.51 0.00 0.00 72.50 71.25 2dly s THR 80 CO 0.85 0.03 1.95 -0.09 -2.21 0.00 0.00 174.62 175.16 2dly h ARG 81 N 6.53 0.00 -0.50 7.08 9.65 -2.02 0.64 114.38 135.76 2dly h ARG 81 Ca -0.33 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2dly h ARG 81 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2dly h ARG 81 CO 0.42 0.00 0.00 2.89 2.80 0.00 0.00 179.97 186.08 2dly n ARG 82 N -3.44 1.87 -3.47 0.20 1.85 -1.26 -4.85 116.66 107.55 2dly n ARG 82 Ca 0.03 -0.95 -0.13 0.00 -1.00 0.00 0.00 57.85 55.80 2dly n ARG 82 Cb 0.49 -1.42 -0.03 0.00 -1.05 0.00 0.00 32.46 30.45 2dly n ARG 82 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2dly s LYS 83 N -1.64 1.09 -0.17 2.89 2.47 0.22 -5.17 119.74 119.44 2dly s LYS 83 Ca 0.17 -0.20 -0.28 0.00 -1.56 0.00 0.00 55.97 54.10 2dly s LYS 83 Cb 0.11 0.51 0.08 0.00 -1.46 0.00 0.00 37.83 37.06 2dly s LYS 83 CO 0.09 -0.44 0.73 0.08 0.16 0.00 0.00 175.35 175.97 2dly s VAL 84 N -2.78 0.00 0.42 4.02 1.01 -1.26 -4.26 120.40 117.55 2dly s VAL 84 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2dly s VAL 84 Cb -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2dly s VAL 84 CO -0.05 0.00 0.09 -0.36 0.00 0.00 0.00 175.10 174.78 2dly s PHE 85 N -0.39 1.84 -0.26 5.22 0.08 0.29 -5.01 117.98 119.75 2dly s PHE 85 Ca -0.05 -1.16 -0.10 0.00 0.12 0.00 0.00 56.93 55.74 2dly s PHE 85 Cb -0.03 -1.28 -0.15 0.00 -0.57 0.00 0.00 43.02 40.99 2dly s PHE 85 CO 0.05 -0.13 -0.23 0.43 -0.10 0.00 0.00 175.22 175.24 2dly n SER 86 N -1.21 1.96 -4.03 1.36 7.64 -1.26 -2.75 113.62 115.34 2dly n SER 86 Ca -0.08 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 59.92 2dly n SER 86 Cb 0.66 -0.72 -0.11 0.00 -1.01 0.00 0.00 64.21 63.03 2dly n SER 86 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2dly s THR 87 N -2.50 0.18 0.61 0.44 -4.23 -1.26 -4.25 115.64 104.63 2dly s THR 87 Ca -0.36 -1.25 0.27 0.00 -1.18 0.00 0.00 61.69 59.17 2dly s THR 87 Cb 0.12 -0.74 0.39 0.00 1.34 0.00 0.00 72.50 73.61 2dly s THR 87 CO 0.55 -0.67 1.32 -0.07 -0.54 0.00 0.00 174.62 175.20 2dly h LEU 88 N 4.10 0.00 0.03 4.79 3.38 -1.96 -0.52 115.31 125.13 2dly h LEU 88 Ca -0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2dly h LEU 88 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2dly h LEU 88 CO 0.50 0.00 -0.02 -1.13 0.09 0.00 0.00 178.44 177.89 2dly h ASN 89 N 0.00 -0.04 -0.06 -0.43 -0.73 -2.00 -2.62 115.58 109.71 2dly h ASN 89 Ca 0.48 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.67 2dly h ASN 89 Cb 2.88 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 41.48 2dly h ASN 89 CO -0.01 -0.02 0.13 -0.33 -0.37 0.00 0.00 177.43 176.83 2dly h GLU 90 N -0.04 0.00 -0.74 6.67 5.08 -1.52 0.68 114.58 124.71 2dly h GLU 90 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2dly h GLU 90 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2dly h GLU 90 CO 0.01 0.00 0.27 0.35 -1.00 0.00 0.00 179.01 178.63 2dly h PHE 91 N 0.00 1.15 0.04 4.33 3.04 -1.22 -2.19 116.94 122.10 2dly h PHE 91 Ca 0.03 -0.10 -0.34 0.00 3.98 0.00 0.00 57.97 61.54 2dly h PHE 91 Cb 0.29 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 38.41 2dly h PHE 91 CO 0.00 0.90 -1.97 0.28 -2.02 0.00 0.00 178.31 175.50 2dly n VAL 92 N -4.30 1.63 0.25 1.41 0.31 -0.42 -3.77 118.33 113.44 2dly n VAL 92 Ca 0.06 -0.73 0.12 0.00 -0.01 0.00 0.00 64.34 63.77 2dly n VAL 92 Cb 0.20 -1.25 0.56 0.00 -0.91 0.00 0.00 33.84 32.44 2dly n VAL 92 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2dly n ASN 93 N -3.18 0.62 -0.00 4.52 5.15 0.10 -1.75 115.26 120.71 2dly n ASN 93 Ca -0.27 0.73 -0.00 0.00 -0.60 0.00 0.00 54.58 54.44 2dly n ASN 93 Cb 1.06 -0.83 -0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2dly n ASN 93 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2dly h TYR 94 N 0.00 0.00 -0.98 1.20 5.03 -1.52 -3.40 116.97 117.30 2dly h TYR 94 Ca 0.00 0.00 0.26 0.00 2.58 0.00 0.00 58.73 61.57 2dly h TYR 94 Cb 0.14 0.00 -0.13 0.00 1.55 0.00 0.00 36.73 38.29 2dly h TYR 94 CO 0.00 0.00 0.53 1.88 -1.32 0.00 0.00 178.16 179.25 2dly h TYR 95 N -0.02 0.88 -1.40 -3.82 0.05 -1.65 0.17 116.97 111.18 2dly h TYR 95 Ca 0.00 0.04 0.41 0.00 0.05 0.00 0.00 58.73 59.22 2dly h TYR 95 Cb 0.01 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.46 2dly h TYR 95 CO -0.00 -0.05 1.31 1.79 -1.05 0.00 0.00 178.16 180.16 2dly h THR 96 N 0.44 0.00 0.21 -2.88 1.35 -1.51 1.56 112.91 112.08 2dly h THR 96 Ca 0.65 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 66.17 2dly h THR 96 Cb 1.33 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2dly h THR 96 CO -0.54 0.00 -1.61 0.71 -0.25 0.00 0.00 175.52 173.83 2dly h THR 97 N 0.00 1.08 -3.31 6.82 1.35 -0.88 -3.44 112.91 114.53 2dly h THR 97 Ca 0.67 -2.57 -0.05 0.00 -0.55 0.00 0.00 66.41 63.90 2dly h THR 97 Cb 3.28 2.88 -0.13 0.00 -1.73 0.00 0.00 68.15 72.44 2dly h THR 97 CO -0.01 0.83 -0.05 0.28 -0.25 0.00 0.00 175.52 176.33 2dly s THR 98 N -2.57 0.06 -0.54 6.82 -1.32 0.53 -5.05 115.64 113.58 2dly s THR 98 Ca -0.14 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.85 2dly s THR 98 Cb 0.05 -1.13 0.55 0.00 -1.51 0.00 0.00 72.50 70.46 2dly s THR 98 CO 0.88 -0.28 1.92 -1.54 -2.21 0.00 0.00 174.62 173.40 2dly n SER 99 N -0.16 5.54 -3.37 8.08 3.41 -1.26 -4.27 113.62 121.59 2dly n SER 99 Ca -0.16 -3.71 -0.22 0.00 -0.26 0.00 0.00 58.87 54.52 2dly n SER 99 Cb 0.63 -0.88 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 2dly n SER 99 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dly n ASP 100 N -1.03 -0.64 0.00 4.04 8.00 -1.26 0.15 116.55 125.81 2dly n ASP 100 Ca 0.59 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2dly n ASP 100 Cb 1.15 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dly n GLY 101 N 4.39 2.68 3.75 0.44 0.00 -1.26 -5.02 105.19 110.16 2dly n GLY 101 Ca 0.50 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2dly n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dly n LEU 102 N 0.00 5.30 -0.26 0.99 4.77 0.40 -4.89 117.00 123.32 2dly n LEU 102 Ca 0.00 1.03 0.07 0.00 -0.03 0.00 0.00 56.01 57.09 2dly n LEU 102 Cb 0.00 -1.58 0.32 0.00 -2.33 0.00 0.00 43.42 39.82 2dly n LEU 102 CO 0.00 -0.44 1.23 0.00 -1.33 0.00 0.00 177.39 176.85 2dly s VAL 104 N -5.76 0.17 0.09 0.00 0.11 -1.26 -5.08 120.40 108.67 2dly s VAL 104 Ca -0.10 -1.42 -0.16 0.00 -2.93 0.00 0.00 61.98 57.37 2dly s VAL 104 Cb 0.20 -1.25 -0.07 0.00 -1.53 0.00 0.00 36.38 33.74 2dly s VAL 104 CO 0.79 -0.78 0.53 -0.75 -3.33 0.00 0.00 175.10 171.55 2dly s LYS 105 N -3.44 4.04 -0.36 1.54 2.20 -1.26 -4.71 119.74 117.75 2dly s LYS 105 Ca 0.02 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 55.90 2dly s LYS 105 Cb 0.04 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2dly s LYS 105 CO -0.08 0.57 1.65 -0.51 -0.36 0.00 0.00 175.35 176.62 2dly s LEU 106 N -1.51 3.54 -0.07 5.43 1.43 -1.26 -4.72 118.68 121.51 2dly s LEU 106 Ca 0.32 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2dly s LEU 106 Cb -0.17 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2dly s LEU 106 CO 0.18 -1.60 -0.08 -0.33 0.23 0.00 0.00 176.35 174.75 2dly h GLU 107 N 12.02 0.00 -4.41 1.70 4.39 -1.88 -3.37 114.58 123.02 2dly h GLU 107 Ca -0.31 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.16 2dly h GLU 107 Cb 1.14 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.60 2dly h GLU 107 CO 1.05 0.00 -0.72 0.15 -1.16 0.00 0.00 179.01 178.33 2dly s LYS 108 N -1.61 0.53 0.61 2.33 1.02 -1.26 -5.05 119.74 116.30 2dly s LYS 108 Ca -0.07 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 54.90 2dly s LYS 108 Cb 0.01 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 2dly s LYS 108 CO 0.10 0.00 1.12 -1.25 -0.92 0.00 0.00 175.35 174.40 2dly s PRO 109 N -2.11 3.05 0.14 -1.68 0.04 -1.26 -2.21 135.00 130.97 2dly s PRO 109 Ca -0.07 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 2dly s PRO 109 Cb -0.06 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2dly s PRO 109 CO -0.02 -1.07 1.70 0.00 0.04 0.00 0.00 177.00 177.65 2dly s LEU 111 N 1.95 1.50 -0.00 0.00 0.05 -1.26 -4.64 118.68 116.28 2dly s LEU 111 Ca 0.75 1.69 0.07 0.00 0.05 0.00 0.00 54.13 56.70 2dly s LEU 111 Cb -0.45 -3.77 -0.02 0.00 -2.05 0.00 0.00 46.19 39.90 2dly s LEU 111 CO 0.33 -3.77 -0.23 -0.54 -0.55 0.00 0.00 176.35 171.59 2dly s LYS 112 N -4.56 1.79 0.16 1.48 1.02 -1.26 -4.96 119.74 113.41 2dly s LYS 112 Ca 0.67 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.54 2dly s LYS 112 Cb -0.24 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 2dly s LYS 112 CO 0.62 0.48 0.80 0.42 -0.92 0.00 0.00 175.35 176.75 2dly s ILE 113 N -0.59 4.38 -0.53 2.17 -1.09 -1.26 -5.02 121.20 119.26 2dly s ILE 113 Ca 0.09 1.74 -0.24 0.00 -2.23 0.00 0.00 60.65 60.02 2dly s ILE 113 Cb -0.09 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.67 2dly s ILE 113 CO -0.00 0.50 0.90 -1.10 -1.23 0.00 0.00 174.94 174.00 2dly s GLN 114 N -0.99 3.34 -0.03 2.79 -0.21 -1.26 -4.80 119.66 118.50 2dly s GLN 114 Ca 0.37 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.48 2dly s GLN 114 Cb -0.23 -4.03 -0.01 0.00 1.00 0.00 0.00 33.01 29.73 2dly s GLN 114 CO 0.27 -1.40 -0.03 0.28 -2.12 0.00 0.00 175.29 172.29 2dly n VAL 115 N 6.16 0.14 -0.08 1.09 0.31 -1.26 -4.87 118.33 119.82 2dly n VAL 115 Ca 0.02 -0.04 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 2dly n VAL 115 Cb 0.47 -1.30 -0.12 0.00 -0.91 0.00 0.00 33.84 31.98 2dly n VAL 115 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2dly n SER 116 N -2.98 1.96 0.00 4.52 2.88 -1.26 -5.11 113.62 113.63 2dly n SER 116 Ca -0.05 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2dly n SER 116 Cb 0.54 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2dly n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dly n GLY 117 N 1.62 -0.68 3.71 0.46 0.00 -1.26 -5.13 105.19 103.92 2dly n GLY 117 Ca -0.37 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2dly n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dly s PRO 118 N -0.94 4.31 -0.11 1.61 0.04 -1.26 -4.85 135.00 133.81 2dly s PRO 118 Ca 0.00 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 2dly s PRO 118 Cb 0.00 -3.37 -0.27 0.00 0.04 0.00 0.00 34.50 30.89 2dly s PRO 118 CO 0.00 -0.48 0.69 0.77 0.04 0.00 0.00 177.00 178.01 2dly h SER 119 N 7.20 0.27 0.00 6.66 0.02 -2.00 -3.40 113.55 122.30 2dly h SER 119 Ca -0.41 -0.88 -0.14 0.00 -0.84 0.00 0.00 61.79 59.52 2dly h SER 119 Cb 1.20 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2dly h SER 119 CO 0.88 1.37 -0.96 0.77 -1.14 0.00 0.00 176.83 177.74 2dly h SER 120 N -0.59 0.00 0.00 3.07 4.64 -1.96 -3.51 113.55 115.21 2dly h SER 120 Ca -0.18 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2dly h SER 120 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2dly h SER 120 CO 0.04 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.82