#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 7.14 0.03 1.61 0.15 -1.26 -4.72 113.70 116.65 2dly s SER 2 Ca 0.00 1.40 -0.27 0.00 0.70 0.00 0.00 55.95 57.78 2dly s SER 2 Cb 0.00 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 2dly s SER 2 CO 0.00 -0.46 1.23 -0.55 1.20 0.00 0.00 173.24 174.65 2dly s SER 3 N 1.13 -0.00 0.71 5.45 0.15 -1.26 -5.15 113.70 114.72 2dly s SER 3 Ca 0.45 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2dly s SER 3 Cb -0.17 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2dly s SER 3 CO 0.14 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2dly n GLY 4 N -0.80 -1.35 2.70 9.45 0.00 -1.26 -4.83 105.19 109.10 2dly n GLY 4 Ca 0.00 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2dly n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dly s SER 5 N -5.20 1.90 -1.78 1.61 1.04 -1.26 -4.85 113.70 105.16 2dly s SER 5 Ca 0.00 -0.31 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 2dly s SER 5 Cb 0.00 -0.34 0.18 0.00 0.10 0.00 0.00 66.02 65.96 2dly s SER 5 CO 0.00 -0.27 0.63 -1.54 0.98 0.00 0.00 173.24 173.04 2dly n SER 6 N 5.20 -2.19 -4.50 7.02 3.41 -1.26 -4.82 113.62 116.49 2dly n SER 6 Ca -0.06 -1.15 -0.44 0.00 -0.26 0.00 0.00 58.87 56.96 2dly n SER 6 Cb 0.49 -2.12 -0.00 0.00 -0.26 0.00 0.00 64.21 62.32 2dly n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dly s GLY 7 N -3.38 2.10 -0.28 5.00 0.00 -1.26 -4.88 107.32 104.61 2dly s GLY 7 Ca 0.71 -3.13 -0.26 0.00 0.00 0.00 0.00 44.72 42.05 2dly s GLY 7 CO 0.98 2.26 1.29 0.00 0.00 0.00 0.00 173.10 177.63 2dly s ALA 8 N 2.57 -2.12 -0.05 3.20 0.00 -1.26 -4.71 121.76 119.38 2dly s ALA 8 Ca 0.45 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 54.10 2dly s ALA 8 Cb -0.01 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2dly s ALA 8 CO 0.01 -0.17 0.30 1.49 0.00 0.00 0.00 175.76 177.39 2dly h GLU 9 N 3.30 -0.21 0.00 0.00 4.57 -1.99 -3.46 114.58 116.79 2dly h GLU 9 Ca -0.25 0.01 -0.38 0.00 -1.18 0.00 0.00 59.36 57.56 2dly h GLU 9 Cb 1.19 0.05 0.18 0.00 -0.16 0.00 0.00 28.75 30.01 2dly h GLU 9 CO 0.17 -0.14 0.16 -0.25 -1.18 0.00 0.00 179.01 177.78 2dly n ASP 10 N -4.26 -1.65 0.04 1.04 8.00 -1.26 -5.05 116.55 113.41 2dly n ASP 10 Ca -0.03 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.28 2dly n ASP 10 Cb 0.08 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2dly n ASP 10 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dly n ARG 11 N -4.49 0.00 0.26 -1.24 5.12 -1.26 -4.72 116.66 110.33 2dly n ARG 11 Ca 0.15 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.24 2dly n ARG 11 Cb 0.56 -0.50 0.81 0.00 -1.16 0.00 0.00 32.46 32.17 2dly n ARG 11 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2dly h SER 12 N 0.00 0.00 -0.63 0.55 0.02 -2.03 -2.65 113.55 108.80 2dly h SER 12 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2dly h SER 12 Cb 0.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2dly h SER 12 CO 0.00 0.00 0.43 0.25 -1.14 0.00 0.00 176.83 176.37 2dly h LEU 13 N 0.00 0.27 -1.89 5.07 6.46 -1.99 -0.14 115.31 123.10 2dly h LEU 13 Ca 0.00 0.01 0.23 0.00 -0.12 0.00 0.00 57.88 58.00 2dly h LEU 13 Cb 0.25 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 2dly h LEU 13 CO 0.00 0.15 0.58 1.56 -0.62 0.00 0.00 178.44 180.11 2dly h GLN 14 N 0.29 0.09 0.00 1.25 1.08 -1.79 0.35 115.11 116.38 2dly h GLN 14 Ca 0.30 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.48 2dly h GLN 14 Cb 0.78 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2dly h GLN 14 CO -0.07 0.06 -0.08 0.00 -0.95 0.00 0.00 178.83 177.79 2dly h ALA 15 N 1.60 1.82 -2.15 3.87 0.00 -1.25 -3.43 119.26 119.72 2dly h ALA 15 Ca 0.40 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 54.64 2dly h ALA 15 Cb 1.44 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.27 2dly h ALA 15 CO -0.04 0.09 0.83 0.39 0.00 0.00 0.00 179.25 180.52 2dly n GLU 16 N -4.36 2.04 -0.04 0.00 -0.58 0.12 -4.90 120.64 112.92 2dly n GLU 16 Ca -0.03 0.74 -0.13 0.00 -0.42 0.00 0.00 57.16 57.32 2dly n GLU 16 Cb 0.16 -2.51 -0.08 0.00 -0.57 0.00 0.00 31.44 28.44 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 6.55 0.27 0.00 3.49 0.13 -1.87 -3.01 132.00 137.56 2dly h PRO 17 Ca -0.46 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2dly h PRO 17 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dly h PRO 17 CO 0.89 0.67 0.00 0.11 -0.23 0.00 0.00 178.00 179.44 2dly h TRP 18 N -0.13 0.00 -3.67 1.56 5.08 -1.86 -3.40 115.95 113.52 2dly h TRP 18 Ca 0.02 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.40 2dly h TRP 18 Cb 0.62 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.68 2dly h TRP 18 CO 0.09 0.00 0.67 0.12 -1.28 0.00 0.00 178.44 178.04 2dly s PHE 19 N -3.84 2.90 -0.30 0.12 5.36 -1.14 -0.87 117.98 120.21 2dly s PHE 19 Ca -0.02 0.49 0.10 0.00 -0.96 0.00 0.00 56.93 56.54 2dly s PHE 19 Cb 0.10 -4.08 0.62 0.00 -0.34 0.00 0.00 43.02 39.33 2dly s PHE 19 CO 0.42 -1.14 1.65 1.19 -1.46 0.00 0.00 175.22 175.88 2dly n PHE 20 N 7.33 1.84 0.00 10.12 3.01 -0.95 -4.86 117.46 133.95 2dly n PHE 20 Ca 0.08 -1.33 0.00 0.00 1.01 0.00 0.00 57.45 57.20 2dly n PHE 20 Cb 0.49 -0.59 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 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 -0.64 3.63 3.25 1.37 0.00 -1.26 -4.16 105.19 107.37 2dly n GLY 21 Ca 0.37 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.52 3.12 0.40 4.61 0.00 -1.26 0.07 121.76 127.18 2dly s ALA 22 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.05 2dly s ALA 22 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 2dly s ALA 22 CO 0.00 -1.47 0.15 0.96 0.00 0.00 0.00 175.76 175.40 2dly s ILE 23 N 1.37 0.51 0.18 0.00 -4.36 -1.26 -4.73 121.20 112.91 2dly s ILE 23 Ca 0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 2dly s ILE 23 Cb -0.21 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2dly s ILE 23 CO 0.02 0.00 0.18 -0.54 0.24 0.00 0.00 174.94 174.83 2dly s LYS 24 N -3.67 3.00 0.41 0.37 1.02 -1.26 -4.60 119.74 115.00 2dly s LYS 24 Ca 0.25 -0.87 0.21 0.00 0.02 0.00 0.00 55.97 55.58 2dly s LYS 24 Cb 0.02 -2.68 1.16 0.00 -0.52 0.00 0.00 37.83 35.81 2dly s LYS 24 CO 0.16 0.47 1.75 0.07 -0.92 0.00 0.00 175.35 176.88 2dly h ARG 25 N 2.14 0.32 -0.06 1.68 0.11 -1.99 0.97 114.38 117.55 2dly h ARG 25 Ca -0.48 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 2dly h ARG 25 Cb 1.21 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 2dly h ARG 25 CO 0.63 0.21 0.00 0.00 0.10 0.00 0.00 179.97 180.92 2dly h ALA 26 N 1.62 0.08 -0.98 0.08 0.00 -1.98 0.41 119.26 118.48 2dly h ALA 26 Ca 0.63 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.41 2dly h ALA 26 Cb 1.69 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 2dly h ALA 26 CO -0.31 -0.26 0.64 0.22 0.00 0.00 0.00 179.25 179.54 2dly h ASP 27 N -0.18 1.08 -0.01 0.00 1.82 -1.25 0.16 116.42 118.04 2dly h ASP 27 Ca 0.02 -0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 2dly h ASP 27 Cb 0.31 -0.25 0.02 0.00 0.68 0.00 0.00 39.33 40.10 2dly h ASP 27 CO 0.00 0.74 -0.94 0.00 -1.61 0.00 0.00 179.24 177.43 2dly h ALA 28 N 1.42 0.12 -0.48 -0.78 0.00 -1.12 -3.02 119.26 115.40 2dly h ALA 28 Ca 0.39 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2dly h ALA 28 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2dly h ALA 28 CO -0.12 0.61 0.18 0.93 0.00 0.00 0.00 179.25 180.86 2dly h GLU 29 N 0.30 0.72 -0.28 0.00 5.08 0.21 -1.81 114.58 118.81 2dly h GLU 29 Ca -0.12 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2dly h GLU 29 Cb 1.61 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2dly h GLU 29 CO 0.19 0.66 0.11 1.57 -1.00 0.00 0.00 179.01 180.53 2dly h LYS 30 N 0.63 0.39 -0.07 2.33 2.10 -0.78 0.19 116.57 121.37 2dly h LYS 30 Ca 0.16 -0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.59 2dly h LYS 30 Cb 0.21 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2dly h LYS 30 CO -0.01 0.33 -0.72 1.96 -2.00 0.00 0.00 179.45 179.01 2dly h GLN 31 N 0.39 0.35 0.01 0.07 1.08 -1.32 -2.75 115.11 112.95 2dly h GLN 31 Ca 0.10 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2dly h GLN 31 Cb 0.09 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2dly h GLN 31 CO -0.01 0.93 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.72 2dly h LEU 32 N 0.24 -0.01 -0.96 1.46 3.38 -0.59 -3.21 115.31 115.62 2dly h LEU 32 Ca -0.03 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2dly h LEU 32 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2dly h LEU 32 CO 0.12 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.65 2dly n LEU 33 N -4.69 0.41 -4.11 1.67 4.77 0.59 -4.71 117.00 110.93 2dly n LEU 33 Ca -0.09 0.68 -0.36 0.00 -0.03 0.00 0.00 56.01 56.20 2dly n LEU 33 Cb 0.39 -0.72 0.09 0.00 -2.33 0.00 0.00 43.42 40.85 2dly n LEU 33 CO 0.32 -0.78 -1.53 0.00 -1.33 0.00 0.00 177.39 174.07 2dly n TYR 34 N -2.04 -1.39 -0.04 -1.77 9.36 -1.03 -4.97 117.16 115.28 2dly n TYR 34 Ca -0.01 0.46 -0.02 0.00 3.32 0.00 0.00 57.90 61.65 2dly n TYR 34 Cb 0.05 -1.45 -0.01 0.00 -0.63 0.00 0.00 39.34 37.30 2dly n TYR 34 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2dly h SER 35 N -1.41 0.00 -0.80 2.98 4.64 -1.89 -3.35 113.55 113.71 2dly h SER 35 Ca -0.45 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.10 2dly h SER 35 Cb 1.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 2dly h SER 35 CO 0.28 0.47 1.10 -0.33 -0.87 0.00 0.00 176.83 177.48 2dly h GLU 36 N -0.71 0.00 -6.60 4.77 5.08 -1.96 -3.38 114.58 111.79 2dly h GLU 36 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2dly h GLU 36 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2dly h GLU 36 CO 0.00 0.00 -0.12 -0.80 -1.00 0.00 0.00 179.01 177.09 2dly s ASN 37 N -3.56 6.31 0.25 1.42 0.01 -1.26 -5.09 114.94 113.02 2dly s ASN 37 Ca -0.02 0.58 -0.12 0.00 -0.71 0.00 0.00 52.86 52.59 2dly s ASN 37 Cb 0.12 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.68 2dly s ASN 37 CO 0.40 -0.34 0.47 -1.10 -1.51 0.00 0.00 177.10 175.02 2dly s GLN 38 N -4.29 1.55 -0.35 -0.60 -1.52 -1.26 -4.86 119.66 108.33 2dly s GLN 38 Ca 0.42 -1.28 -0.33 0.00 -1.95 0.00 0.00 55.36 52.22 2dly s GLN 38 Cb -0.10 0.46 -0.14 0.00 -0.22 0.00 0.00 33.01 33.02 2dly s GLN 38 CO 0.37 -0.64 1.25 2.41 -0.25 0.00 0.00 175.29 178.43 2dly n THR 39 N -0.38 0.00 0.00 -0.19 -1.04 -1.26 -1.56 114.28 109.84 2dly n THR 39 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dly n THR 39 Cb 0.62 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 3.60 2.83 3.63 3.41 0.00 -0.67 -4.91 105.19 113.08 2dly n GLY 40 Ca 0.27 -0.75 -0.57 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.03 -2.44 4.61 0.00 -0.60 -3.78 120.51 118.27 2dly n ALA 41 Ca 0.00 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 2dly n ALA 41 Cb 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.10 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 4.36 2.13 -0.28 0.00 -0.71 -1.05 -1.07 117.98 121.36 2dly s PHE 42 Ca 1.03 -0.40 -0.18 0.00 -1.04 0.00 0.00 56.93 56.34 2dly s PHE 42 Cb -1.11 -0.98 0.10 0.00 -1.21 0.00 0.00 43.02 39.83 2dly s PHE 42 CO 0.64 0.55 0.81 -0.48 -1.34 0.00 0.00 175.22 175.41 2dly s LEU 43 N -3.16 -0.75 -0.06 -1.99 0.05 -0.04 -0.58 118.68 112.14 2dly s LEU 43 Ca 0.25 1.23 -0.07 0.00 0.05 0.00 0.00 54.13 55.59 2dly s LEU 43 Cb -0.05 2.15 -0.04 0.00 -2.05 0.00 0.00 46.19 46.19 2dly s LEU 43 CO 0.11 -0.20 0.20 -0.63 -0.55 0.00 0.00 176.35 175.28 2dly s ILE 44 N 1.30 5.42 0.06 1.48 1.09 -0.05 -0.88 121.20 129.62 2dly s ILE 44 Ca -0.08 0.18 0.02 0.00 -1.10 0.00 0.00 60.65 59.67 2dly s ILE 44 Cb -0.05 -3.49 -0.03 0.00 -1.06 0.00 0.00 42.46 37.84 2dly s ILE 44 CO -0.15 0.51 -0.07 0.00 -0.10 0.00 0.00 174.94 175.13 2dly s ARG 45 N -1.35 0.61 -0.26 2.79 1.70 0.09 -2.25 118.95 120.28 2dly s ARG 45 Ca 0.21 -0.95 -0.29 0.00 -0.47 0.00 0.00 55.73 54.23 2dly s ARG 45 Cb -0.13 -0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.03 2dly s ARG 45 CO 0.10 0.01 1.36 -1.21 -1.08 0.00 0.00 175.30 174.48 2dly s GLU 46 N -2.37 3.94 -0.88 3.89 2.02 0.11 0.06 118.70 125.46 2dly s GLU 46 Ca -0.03 1.39 -0.25 0.00 0.02 0.00 0.00 54.97 56.10 2dly s GLU 46 Cb -0.04 -3.89 -0.21 0.00 0.10 0.00 0.00 34.13 30.08 2dly s GLU 46 CO -0.02 -1.09 2.51 0.45 0.02 0.00 0.00 175.26 177.14 2dly n SER 47 N 7.63 0.46 -0.19 -0.19 2.88 -0.98 -4.43 113.62 118.79 2dly n SER 47 Ca 0.15 -0.23 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 2dly n SER 47 Cb 0.46 -1.03 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 2dly n SER 47 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2dly h GLU 48 N 13.40 -0.24 0.00 -1.46 4.81 -1.90 -2.68 114.58 126.51 2dly h GLU 48 Ca -0.07 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2dly h GLU 48 Cb 1.24 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2dly h GLU 48 CO 1.36 -0.16 0.00 0.45 -0.73 0.00 0.00 179.01 179.93 2dly n SER 49 N -5.40 0.00 -4.25 1.04 2.88 -1.26 -4.17 113.62 102.45 2dly n SER 49 Ca 0.01 0.85 -0.35 0.00 -1.33 0.00 0.00 58.87 58.06 2dly n SER 49 Cb 0.35 -0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 63.26 2dly n SER 49 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dly s GLN 50 N -2.79 3.16 0.89 -1.46 2.00 -1.01 -5.10 119.66 115.34 2dly s GLN 50 Ca 0.00 -0.76 -0.11 0.00 -2.00 0.00 0.00 55.36 52.49 2dly s GLN 50 Cb 0.00 -2.94 0.12 0.00 0.80 0.00 0.00 33.01 30.99 2dly s GLN 50 CO 0.00 -0.26 1.13 1.17 -0.50 0.00 0.00 175.29 176.83 2dly n LYS 51 N 4.74 -0.26 0.00 1.67 4.81 -1.23 -3.36 118.16 124.52 2dly n LYS 51 Ca -0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 2dly n LYS 51 Cb 0.50 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2dly n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dly n GLY 52 N 0.42 2.45 3.59 3.14 0.00 -1.26 -5.01 105.19 108.53 2dly n GLY 52 Ca 0.12 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 1.47 0.05 1.61 1.11 -1.21 -4.92 116.67 114.77 2dly s ASP 53 Ca 0.00 0.99 -0.03 0.00 0.18 0.00 0.00 52.55 53.69 2dly s ASP 53 Cb 0.00 -1.51 -0.02 0.00 1.07 0.00 0.00 42.92 42.46 2dly s ASP 53 CO 0.00 -3.82 0.04 -0.36 1.18 0.00 0.00 175.17 172.20 2dly s PHE 54 N -2.86 0.35 -0.03 4.23 0.08 -1.25 -2.33 117.98 116.17 2dly s PHE 54 Ca 0.68 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.98 2dly s PHE 54 Cb -0.16 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.05 2dly s PHE 54 CO 0.58 -0.37 -0.08 0.45 -0.10 0.00 0.00 175.22 175.69 2dly s SER 55 N -2.49 1.14 -0.23 1.36 0.15 0.11 -1.40 113.70 112.33 2dly s SER 55 Ca 0.00 -0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.39 2dly s SER 55 Cb 0.03 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 2dly s SER 55 CO -0.07 0.06 0.12 -0.22 1.20 0.00 0.00 173.24 174.32 2dly s LEU 56 N 0.22 3.90 -0.26 3.45 2.96 -0.36 -0.73 118.68 127.86 2dly s LEU 56 Ca -0.03 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2dly s LEU 56 Cb -0.08 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.61 2dly s LEU 56 CO 0.00 0.07 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.60 2dly s SER 57 N 1.02 4.44 -0.05 3.68 0.01 -0.06 -0.79 113.70 121.95 2dly s SER 57 Ca 0.06 -1.09 0.06 0.00 1.31 0.00 0.00 55.95 56.29 2dly s SER 57 Cb -0.14 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 2dly s SER 57 CO 0.04 -0.17 -0.22 -0.69 0.41 0.00 0.00 173.24 172.60 2dly s VAL 58 N 1.26 2.34 0.01 3.43 1.01 -1.14 -0.86 120.40 126.44 2dly s VAL 58 Ca -0.03 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 2dly s VAL 58 Cb -0.18 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2dly s VAL 58 CO -0.04 0.57 0.77 -0.22 0.00 0.00 0.00 175.10 176.19 2dly s LEU 59 N -0.39 4.41 -0.45 3.92 2.96 -0.24 -1.38 118.68 127.51 2dly s LEU 59 Ca 0.03 1.40 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 2dly s LEU 59 Cb -0.12 -3.23 0.16 0.00 0.50 0.00 0.00 46.19 43.50 2dly s LEU 59 CO 0.02 -0.05 0.32 -0.62 -1.32 0.00 0.00 176.35 174.70 2dly s ASP 60 N 0.28 2.66 -0.66 3.68 2.15 0.97 -1.67 116.67 124.08 2dly s ASP 60 Ca 0.40 -2.93 -0.03 0.00 0.43 0.00 0.00 52.55 50.42 2dly s ASP 60 Cb -0.20 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.70 2dly s ASP 60 CO 0.22 -0.20 0.57 -0.62 -0.17 0.00 0.00 175.17 174.97 2dly n GLU 61 N 3.09 -3.83 0.00 4.34 1.02 -1.26 -2.82 120.64 121.17 2dly n GLU 61 Ca 0.21 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2dly n GLU 61 Cb 0.41 -4.20 0.00 0.00 -0.02 0.00 0.00 31.44 27.63 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 -1.21 2.07 3.90 0.62 0.00 -1.26 -5.03 105.19 104.28 2dly n GLY 62 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.38 5.01 -0.31 1.61 0.11 -1.13 -4.78 120.40 118.54 2dly s VAL 63 Ca 0.00 0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2dly s VAL 63 Cb 0.00 -3.71 0.06 0.00 -1.53 0.00 0.00 36.38 31.20 2dly s VAL 63 CO 0.00 -0.27 0.00 -0.69 -3.33 0.00 0.00 175.10 170.82 2dly s VAL 64 N -2.02 2.81 -0.50 2.04 1.01 -1.26 -0.02 120.40 122.45 2dly s VAL 64 Ca 0.45 -1.56 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 2dly s VAL 64 Cb -0.11 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2dly s VAL 64 CO 0.28 -0.18 0.77 -0.54 0.00 0.00 0.00 175.10 175.43 2dly s LYS 65 N 1.19 3.27 -0.46 2.72 3.01 -0.48 -4.93 119.74 124.07 2dly s LYS 65 Ca -0.04 -0.44 -0.25 0.00 -1.01 0.00 0.00 55.97 54.24 2dly s LYS 65 Cb -0.20 -4.03 0.03 0.00 -1.01 0.00 0.00 37.83 32.62 2dly s LYS 65 CO -0.03 -1.26 0.89 -1.01 0.51 0.00 0.00 175.35 174.46 2dly s HIS 66 N 3.24 2.94 -0.29 3.18 3.76 -1.26 -2.89 115.29 123.97 2dly s HIS 66 Ca 0.24 0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 55.43 2dly s HIS 66 Cb -0.15 -3.90 -0.00 0.00 1.11 0.00 0.00 32.58 29.65 2dly s HIS 66 CO 0.18 -1.07 0.09 0.71 -0.85 0.00 0.00 174.74 173.79 2dly s TYR 67 N 3.65 3.13 0.01 1.40 2.02 0.03 -4.97 117.35 122.61 2dly s TYR 67 Ca 0.35 -0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 55.96 2dly s TYR 67 Cb -0.11 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.13 2dly s TYR 67 CO 0.25 -0.51 1.52 0.50 -1.57 0.00 0.00 175.55 175.74 2dly s ARG 68 N 1.54 4.24 -0.57 -0.62 6.06 -1.26 -1.22 118.95 127.12 2dly s ARG 68 Ca 0.04 2.11 -0.19 0.00 -2.50 0.00 0.00 55.73 55.18 2dly s ARG 68 Cb -0.17 -3.65 0.09 0.00 0.06 0.00 0.00 34.95 31.28 2dly s ARG 68 CO 0.03 -0.67 0.68 0.42 -2.50 0.00 0.00 175.30 173.26 2dly s ILE 69 N 2.76 4.83 0.17 4.11 1.01 -0.49 -4.77 121.20 128.82 2dly s ILE 69 Ca 0.68 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 2dly s ILE 69 Cb -0.34 -4.44 -0.08 0.00 0.01 0.00 0.00 42.46 37.61 2dly s ILE 69 CO 0.28 -1.04 0.75 -0.13 0.00 0.00 0.00 174.94 174.80 2dly s ARG 70 N 2.69 4.47 0.11 2.79 0.52 -0.95 -3.90 118.95 124.69 2dly s ARG 70 Ca 0.13 1.07 0.04 0.00 -0.52 0.00 0.00 55.73 56.45 2dly s ARG 70 Cb -0.23 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 2dly s ARG 70 CO 0.08 0.54 0.05 1.03 0.02 0.00 0.00 175.30 177.03 2dly s ARG 71 N -1.30 2.72 0.56 3.54 0.52 -1.26 -1.59 118.95 122.14 2dly s ARG 71 Ca 0.36 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 2dly s ARG 71 Cb -0.22 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 2dly s ARG 71 CO 0.24 0.53 0.98 -0.51 0.02 0.00 0.00 175.30 176.56 2dly s LEU 72 N -2.53 3.41 0.39 2.53 2.01 0.61 -4.85 118.68 120.25 2dly s LEU 72 Ca 0.28 1.39 0.28 0.00 0.01 0.00 0.00 54.13 56.09 2dly s LEU 72 Cb -0.11 -4.39 1.34 0.00 0.01 0.00 0.00 46.19 43.04 2dly s LEU 72 CO 0.21 -0.73 1.44 0.47 1.01 0.00 0.00 176.35 178.74 2dly n ASP 73 N -2.29 0.22 0.02 2.29 8.00 -1.26 0.96 116.55 124.48 2dly n ASP 73 Ca 0.05 1.32 -0.19 0.00 0.71 0.00 0.00 54.79 56.69 2dly n ASP 73 Cb 0.54 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 2dly n ASP 73 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2dly h GLU 74 N 0.00 0.22 0.00 -1.24 4.11 -2.05 -3.48 114.58 112.14 2dly h GLU 74 Ca 0.80 -0.38 0.00 0.00 0.07 0.00 0.00 59.36 59.86 2dly h GLU 74 Cb 2.50 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.89 2dly h GLU 74 CO -0.48 1.18 0.00 0.41 0.07 0.00 0.00 179.01 180.19 2dly n GLY 75 N 1.66 1.11 2.35 1.06 0.00 0.27 -5.12 105.19 106.51 2dly n GLY 75 Ca -0.14 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -0.02 3.81 -0.02 0.00 -1.26 -3.88 105.19 103.83 2dly n GLY 76 Ca 0.00 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 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 1.05 3.78 -0.14 1.61 0.40 -1.18 -0.29 117.98 123.22 2dly s PHE 77 Ca 0.64 1.19 -0.14 0.00 -0.60 0.00 0.00 56.93 58.02 2dly s PHE 77 Cb -0.90 -2.45 0.04 0.00 0.51 0.00 0.00 43.02 40.22 2dly s PHE 77 CO 0.46 0.59 0.39 -0.59 0.70 0.00 0.00 175.22 176.76 2dly s PHE 78 N -1.04 -0.42 -0.67 0.36 -0.71 -0.62 -0.88 117.98 114.00 2dly s PHE 78 Ca 0.28 1.02 0.23 0.00 -1.04 0.00 0.00 56.93 57.42 2dly s PHE 78 Cb -0.19 0.15 0.08 0.00 -1.21 0.00 0.00 43.02 41.85 2dly s PHE 78 CO 0.17 -0.21 1.06 -0.11 -1.34 0.00 0.00 175.22 174.79 2dly n LEU 79 N 2.83 0.63 -3.70 -1.99 7.94 -1.26 -2.23 117.00 119.21 2dly n LEU 79 Ca -0.13 -0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.58 2dly n LEU 79 Cb 0.57 -0.11 -0.08 0.00 0.53 0.00 0.00 43.42 44.34 2dly n LEU 79 CO 0.14 0.06 0.12 0.28 -1.11 0.00 0.00 177.39 176.88 2dly s THR 80 N -3.16 0.05 0.00 1.96 -1.32 -1.26 -4.92 115.64 106.98 2dly s THR 80 Ca 0.05 -0.40 -0.03 0.00 -1.21 0.00 0.00 61.69 60.10 2dly s THR 80 Cb 0.15 -0.75 -0.14 0.00 -1.51 0.00 0.00 72.50 70.25 2dly s THR 80 CO 0.79 -0.22 2.41 0.54 -2.21 0.00 0.00 174.62 175.94 2dly n ARG 81 N 1.06 1.26 0.00 7.08 5.12 -1.26 -2.88 116.66 127.04 2dly n ARG 81 Ca -0.21 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.20 2dly n ARG 81 Cb 0.57 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2dly n ARG 81 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dly n ARG 82 N 2.33 0.92 -3.81 5.56 1.74 -1.26 -5.09 116.66 117.04 2dly n ARG 82 Ca 0.22 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.18 2dly n ARG 82 Cb 0.59 -0.63 -0.13 0.00 -1.02 0.00 0.00 32.46 31.27 2dly n ARG 82 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2dly s LYS 83 N -1.25 0.15 -0.01 5.56 2.47 -1.14 -5.16 119.74 120.37 2dly s LYS 83 Ca 0.00 0.22 0.06 0.00 -1.56 0.00 0.00 55.97 54.69 2dly s LYS 83 Cb 0.00 0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.40 2dly s LYS 83 CO 0.00 -0.04 -0.19 0.08 0.16 0.00 0.00 175.35 175.36 2dly s VAL 84 N 0.23 1.51 0.34 4.02 1.01 -1.26 -4.42 120.40 121.83 2dly s VAL 84 Ca -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2dly s VAL 84 Cb -0.02 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2dly s VAL 84 CO -0.01 0.39 0.23 0.49 0.00 0.00 0.00 175.10 176.20 2dly n PHE 85 N 2.50 -0.78 -0.10 5.22 3.72 -0.06 -4.99 117.46 122.97 2dly n PHE 85 Ca -0.15 -1.46 -0.17 0.00 -0.05 0.00 0.00 57.45 55.61 2dly n PHE 85 Cb 0.53 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 38.72 2dly n PHE 85 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dly n SER 86 N -1.84 2.01 -3.95 4.37 7.64 -1.26 -3.07 113.62 117.52 2dly n SER 86 Ca -0.02 0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 2dly n SER 86 Cb 0.39 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.38 0.11 0.60 0.44 -4.23 -1.26 -4.48 115.64 104.44 2dly s THR 87 Ca -0.27 -0.94 0.27 0.00 -1.18 0.00 0.00 61.69 59.56 2dly s THR 87 Cb 0.09 -0.49 0.39 0.00 1.34 0.00 0.00 72.50 73.83 2dly s THR 87 CO 0.40 -0.52 1.28 0.18 -0.54 0.00 0.00 174.62 175.43 2dly n LEU 88 N 1.33 0.00 0.02 4.79 4.77 -1.26 -1.00 117.00 125.65 2dly n LEU 88 Ca -0.22 0.76 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 2dly n LEU 88 Cb 0.56 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2dly n LEU 88 CO 0.21 -0.76 0.47 -1.13 -1.33 0.00 0.00 177.39 174.86 2dly h ASN 89 N 0.00 -0.05 -0.11 -1.43 -0.73 -2.00 -2.82 115.58 108.43 2dly h ASN 89 Ca 0.50 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.70 2dly h ASN 89 Cb 2.93 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 41.52 2dly h ASN 89 CO -0.01 -0.03 0.19 -0.33 -0.37 0.00 0.00 177.43 176.89 2dly h GLU 90 N -0.06 0.00 -0.85 6.67 5.08 -1.48 -0.41 114.58 123.53 2dly h GLU 90 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2dly h GLU 90 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2dly h GLU 90 CO 0.01 0.00 0.47 0.35 -1.00 0.00 0.00 179.01 178.84 2dly h PHE 91 N 0.00 1.17 0.06 4.33 3.04 -1.24 -2.26 116.94 122.04 2dly h PHE 91 Ca 0.05 -0.03 -0.32 0.00 3.98 0.00 0.00 57.97 61.65 2dly h PHE 91 Cb 0.44 -0.37 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 2dly h PHE 91 CO 0.00 0.81 -1.79 0.28 -2.02 0.00 0.00 178.31 175.59 2dly n VAL 92 N -4.34 1.65 0.09 1.41 0.31 -0.31 -3.23 118.33 113.91 2dly n VAL 92 Ca 0.09 -0.38 0.20 0.00 -0.01 0.00 0.00 64.34 64.24 2dly n VAL 92 Cb 0.10 -1.85 0.71 0.00 -0.91 0.00 0.00 33.84 31.89 2dly n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2dly h ASN 93 N -0.44 0.00 0.00 4.52 2.35 -1.17 0.18 115.58 121.02 2dly h ASN 93 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2dly h ASN 93 Cb 1.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.08 2dly h ASN 93 CO -0.08 0.00 -0.26 0.22 -1.65 0.00 0.00 177.43 175.65 2dly h TYR 94 N 0.00 0.00 -1.00 1.19 3.20 -1.55 -3.37 116.97 115.43 2dly h TYR 94 Ca 0.20 0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.34 2dly h TYR 94 Cb 1.26 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.40 2dly h TYR 94 CO 0.00 0.00 0.59 1.88 -1.64 0.00 0.00 178.16 178.99 2dly h TYR 95 N -0.53 0.99 -0.79 -3.82 0.05 -1.47 0.56 116.97 111.96 2dly h TYR 95 Ca 0.00 0.04 0.20 0.00 0.05 0.00 0.00 58.73 59.02 2dly h TYR 95 Cb 0.26 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 2dly h TYR 95 CO -0.11 -0.01 0.55 1.79 -1.05 0.00 0.00 178.16 179.32 2dly h THR 96 N 0.50 0.67 0.00 -2.88 1.35 -0.82 0.27 112.91 112.00 2dly h THR 96 Ca 0.67 -0.06 -0.12 0.00 -0.55 0.00 0.00 66.41 66.35 2dly h THR 96 Cb 1.37 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 2dly h THR 96 CO -0.52 0.03 -0.81 0.71 -0.25 0.00 0.00 175.52 174.69 2dly h THR 97 N 0.18 0.70 -2.13 6.82 1.35 -0.04 -3.41 112.91 116.38 2dly h THR 97 Ca 0.39 -2.08 -0.05 0.00 -0.55 0.00 0.00 66.41 64.12 2dly h THR 97 Cb 1.25 2.26 -0.22 0.00 -1.73 0.00 0.00 68.15 69.71 2dly h THR 97 CO -0.07 0.40 0.05 0.28 -0.25 0.00 0.00 175.52 175.92 2dly s THR 98 N -2.97 -0.00 0.11 6.82 -1.32 0.96 -5.05 115.64 114.19 2dly s THR 98 Ca 0.02 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.35 2dly s THR 98 Cb 0.08 -0.92 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 2dly s THR 98 CO 0.77 0.00 1.50 0.77 -2.21 0.00 0.00 174.62 175.45 2dly h SER 99 N 5.39 0.68 -5.76 8.08 4.64 -1.87 -3.35 113.55 121.36 2dly h SER 99 Ca -0.29 -0.37 -0.38 0.00 -0.47 0.00 0.00 61.79 60.28 2dly h SER 99 Cb 1.17 -0.19 0.15 0.00 -0.31 0.00 0.00 62.40 63.22 2dly h SER 99 CO 0.10 0.90 -0.70 -0.67 -0.87 0.00 0.00 176.83 175.60 2dly n ASP 100 N -4.40 -5.25 0.00 4.97 2.03 -1.26 -2.65 116.55 110.00 2dly n ASP 100 Ca -0.02 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2dly n ASP 100 Cb 0.35 -5.03 0.00 0.00 -0.72 0.00 0.00 41.12 35.72 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dly n GLY 101 N -1.78 3.11 3.49 0.27 0.00 -1.26 -5.05 105.19 103.97 2dly n GLY 101 Ca -0.07 -0.95 -0.56 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.07 -0.26 0.99 4.77 -1.08 -4.70 117.00 116.64 2dly n LEU 102 Ca 0.00 1.15 0.25 0.00 -0.03 0.00 0.00 56.01 57.39 2dly n LEU 102 Cb 0.00 -0.95 0.46 0.00 -2.33 0.00 0.00 43.42 40.60 2dly n LEU 102 CO 0.00 -2.02 0.83 0.00 -1.33 0.00 0.00 177.39 174.87 2dly s VAL 104 N -5.13 0.10 0.38 0.00 0.11 -1.26 -5.14 120.40 109.46 2dly s VAL 104 Ca -0.07 -0.79 -0.20 0.00 -2.93 0.00 0.00 61.98 57.99 2dly s VAL 104 Cb 0.26 -1.01 -0.10 0.00 -1.53 0.00 0.00 36.38 34.00 2dly s VAL 104 CO 0.60 -0.43 0.89 -0.75 -3.33 0.00 0.00 175.10 172.08 2dly s LYS 105 N -2.84 4.24 -0.52 1.54 2.20 -1.26 -4.81 119.74 118.28 2dly s LYS 105 Ca -0.03 1.05 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 2dly s LYS 105 Cb 0.00 -2.37 0.03 0.00 -1.51 0.00 0.00 37.83 33.98 2dly s LYS 105 CO -0.05 0.08 1.22 -0.51 -0.36 0.00 0.00 175.35 175.72 2dly s LEU 106 N -2.90 3.53 -0.11 5.43 1.43 -1.26 -4.69 118.68 120.12 2dly s LEU 106 Ca 0.58 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2dly s LEU 106 Cb -0.11 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 2dly s LEU 106 CO 0.16 -1.41 -0.08 -0.33 0.23 0.00 0.00 176.35 174.91 2dly h GLU 107 N 9.70 0.00 -3.51 1.70 4.39 -1.86 -3.38 114.58 121.62 2dly h GLU 107 Ca -0.25 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.33 2dly h GLU 107 Cb 1.07 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.53 2dly h GLU 107 CO 1.15 0.00 -0.43 0.15 -1.16 0.00 0.00 179.01 178.72 2dly s LYS 108 N -1.81 0.61 0.44 2.33 1.02 -1.26 -5.07 119.74 116.00 2dly s LYS 108 Ca -0.07 -0.52 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 2dly s LYS 108 Cb 0.01 0.25 -0.08 0.00 -0.52 0.00 0.00 37.83 37.49 2dly s LYS 108 CO 0.10 -0.16 1.17 -1.25 -0.92 0.00 0.00 175.35 174.29 2dly s PRO 109 N -2.03 3.85 1.12 -1.68 0.04 -1.26 -2.53 135.00 132.52 2dly s PRO 109 Ca -0.09 1.81 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 2dly s PRO 109 Cb -0.04 -2.50 0.15 0.00 0.04 0.00 0.00 34.50 32.15 2dly s PRO 109 CO -0.01 -0.48 0.31 0.00 0.04 0.00 0.00 177.00 176.86 2dly s LEU 111 N -2.90 3.56 -0.72 0.00 1.43 -1.26 -4.78 118.68 114.01 2dly s LEU 111 Ca 0.60 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 2dly s LEU 111 Cb -0.16 -3.39 0.19 0.00 0.03 0.00 0.00 46.19 42.86 2dly s LEU 111 CO 0.66 -0.75 0.58 0.29 0.23 0.00 0.00 176.35 177.36 2dly n LYS 112 N -2.22 2.07 -1.40 1.70 5.02 -1.26 -4.99 118.16 117.08 2dly n LYS 112 Ca 0.02 -4.53 -0.46 0.00 -2.02 0.00 0.00 58.31 51.32 2dly n LYS 112 Cb 0.57 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.26 2dly n LYS 112 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2dly n ILE 113 N 1.78 1.65 -1.90 -0.18 2.08 -1.26 -4.76 119.36 116.77 2dly n ILE 113 Ca 0.22 -0.50 -0.43 0.00 0.56 0.00 0.00 62.75 62.60 2dly n ILE 113 Cb 0.36 -0.13 -0.03 0.00 -0.75 0.00 0.00 39.64 39.09 2dly n ILE 113 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2dly s GLN 114 N -1.10 3.54 -0.00 0.38 0.74 -1.26 -4.78 119.66 117.18 2dly s GLN 114 Ca 0.62 1.81 0.01 0.00 0.05 0.00 0.00 55.36 57.85 2dly s GLN 114 Cb -0.81 -4.18 -0.01 0.00 1.10 0.00 0.00 33.01 29.11 2dly s GLN 114 CO 0.58 -1.62 0.02 1.33 -0.55 0.00 0.00 175.29 175.05 2dly n VAL 115 N 6.93 0.00 -4.27 1.34 0.24 -1.26 -5.02 118.33 116.29 2dly n VAL 115 Ca 0.23 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.34 62.30 2dly n VAL 115 Cb 0.45 0.51 -0.16 0.00 -1.47 0.00 0.00 33.84 33.17 2dly n VAL 115 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2dly s SER 116 N -2.04 0.99 0.04 -1.34 0.01 -1.26 -5.12 113.70 104.97 2dly s SER 116 Ca -0.00 -0.15 -0.08 0.00 1.31 0.00 0.00 55.95 57.03 2dly s SER 116 Cb 0.01 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 2dly s SER 116 CO 0.03 0.02 0.33 -0.83 0.41 0.00 0.00 173.24 173.21 2dly s GLY 117 N 0.38 2.30 -0.02 3.44 0.00 -1.26 -5.05 107.32 107.11 2dly s GLY 117 Ca -0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 2dly s GLY 117 CO 0.00 -0.27 1.46 2.56 0.00 0.00 0.00 173.10 176.85 2dly s PRO 118 N -1.83 4.25 -0.05 2.90 0.04 -1.26 -5.01 135.00 134.04 2dly s PRO 118 Ca 0.30 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2dly s PRO 118 Cb -0.14 -3.67 0.03 0.00 0.04 0.00 0.00 34.50 30.76 2dly s PRO 118 CO 0.17 -0.66 0.04 -1.54 0.04 0.00 0.00 177.00 175.06 2dly s SER 119 N 2.22 1.27 0.25 6.66 1.04 -1.26 -5.03 113.70 118.85 2dly s SER 119 Ca 0.66 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 2dly s SER 119 Cb -0.32 -0.22 0.49 0.00 0.10 0.00 0.00 66.02 66.07 2dly s SER 119 CO 0.26 -0.23 1.66 0.77 0.98 0.00 0.00 173.24 176.68 2dly h SER 120 N 8.41 -0.09 -0.00 7.02 4.64 -2.08 -3.57 113.55 127.87 2dly h SER 120 Ca -0.14 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2dly h SER 120 Cb 1.12 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2dly h SER 120 CO 0.18 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.65