#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 5.83 -0.11 1.61 1.04 -1.26 -5.01 113.70 115.80 2dly s SER 2 Ca 0.00 1.63 -0.03 0.00 0.48 0.00 0.00 55.95 58.03 2dly s SER 2 Cb 0.00 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.56 2dly s SER 2 CO 0.00 -1.14 -0.13 -1.20 0.98 0.00 0.00 173.24 171.76 2dly n SER 3 N -2.53 1.74 0.00 7.02 7.64 -1.26 -5.06 113.62 121.17 2dly n SER 3 Ca 0.07 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2dly n SER 3 Cb 0.53 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2dly n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dly n GLY 4 N 2.57 2.00 3.74 0.23 0.00 -1.26 -4.90 105.19 107.57 2dly n GLY 4 Ca -0.21 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.00 4.90 0.26 1.61 1.04 -1.26 -5.01 113.70 111.24 2dly s SER 5 Ca 0.00 2.40 -0.13 0.00 0.48 0.00 0.00 55.95 58.71 2dly s SER 5 Cb 0.00 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 2dly s SER 5 CO 0.00 -1.79 0.64 -0.44 0.98 0.00 0.00 173.24 172.62 2dly s SER 6 N -1.69 6.73 0.00 7.02 0.01 -1.26 -4.96 113.70 119.55 2dly s SER 6 Ca 0.77 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2dly s SER 6 Cb -0.31 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2dly s SER 6 CO 0.37 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2dly n GLY 7 N -0.10 -0.26 3.22 3.44 0.00 -1.26 -5.18 105.19 105.04 2dly n GLY 7 Ca 0.01 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -0.74 0.18 4.61 0.00 -1.26 -5.05 121.76 119.50 2dly s ALA 8 Ca 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 2dly s ALA 8 Cb 0.00 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.32 2dly s ALA 8 CO 0.00 -0.25 1.74 0.93 0.00 0.00 0.00 175.76 178.18 2dly h GLU 9 N 3.99 0.30 -5.41 0.00 3.07 -2.06 -3.31 114.58 111.17 2dly h GLU 9 Ca -0.30 -0.02 -0.67 0.00 -0.50 0.00 0.00 59.36 57.88 2dly h GLU 9 Cb 1.18 -0.07 -0.14 0.00 -0.84 0.00 0.00 28.75 28.88 2dly h GLU 9 CO 0.40 0.20 1.24 0.16 -1.40 0.00 0.00 179.01 179.60 2dly s ASP 10 N -5.37 6.67 -0.00 1.42 1.47 -1.26 -4.71 116.67 114.89 2dly s ASP 10 Ca -0.13 -2.02 -0.01 0.00 1.18 0.00 0.00 52.55 51.57 2dly s ASP 10 Cb 0.14 -2.47 -0.00 0.00 -0.34 0.00 0.00 42.92 40.25 2dly s ASP 10 CO 0.72 -1.17 -0.03 -1.14 0.68 0.00 0.00 175.17 174.24 2dly n ARG 11 N 7.33 0.04 -0.26 2.11 0.63 -1.25 -4.70 116.66 120.56 2dly n ARG 11 Ca 0.31 0.02 0.19 0.00 -0.92 0.00 0.00 57.85 57.44 2dly n ARG 11 Cb 0.49 -0.33 0.49 0.00 0.45 0.00 0.00 32.46 33.55 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dly h SER 12 N -0.08 0.46 -0.84 6.15 4.64 -1.92 0.16 113.55 122.13 2dly h SER 12 Ca 0.00 0.05 0.24 0.00 -0.47 0.00 0.00 61.79 61.61 2dly h SER 12 Cb 0.08 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 2dly h SER 12 CO 0.00 0.18 0.70 -0.07 -0.87 0.00 0.00 176.83 176.77 2dly h LEU 13 N 0.46 0.00 -1.27 5.97 3.38 -1.92 0.20 115.31 122.12 2dly h LEU 13 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2dly h LEU 13 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2dly h LEU 13 CO -0.21 0.00 0.36 0.06 0.09 0.00 0.00 178.44 178.74 2dly h GLN 14 N 0.00 0.00 0.00 1.13 3.07 -0.95 0.77 115.11 119.13 2dly h GLN 14 Ca 0.40 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.92 2dly h GLN 14 Cb 1.79 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.32 2dly h GLN 14 CO -0.00 0.00 -1.32 0.00 0.09 0.00 0.00 178.83 177.59 2dly h ALA 15 N 1.16 0.63 -2.67 0.06 0.00 -0.80 -3.46 119.26 114.18 2dly h ALA 15 Ca 0.00 -1.06 -0.52 0.00 0.00 0.00 0.00 54.91 53.33 2dly h ALA 15 Cb 0.73 0.22 0.06 0.00 0.00 0.00 0.00 17.79 18.79 2dly h ALA 15 CO 0.00 1.23 0.92 -1.21 0.00 0.00 0.00 179.25 180.19 2dly s GLU 16 N -2.75 4.17 0.04 0.00 0.41 0.27 -4.93 118.70 115.91 2dly s GLU 16 Ca -0.02 2.49 -0.20 0.00 -0.41 0.00 0.00 54.97 56.83 2dly s GLU 16 Cb 0.09 -3.10 -0.14 0.00 -1.78 0.00 0.00 34.13 29.20 2dly s GLU 16 CO 0.81 -0.65 1.35 -1.00 -0.49 0.00 0.00 175.26 175.28 2dly h PRO 17 N 6.33 0.36 0.00 0.39 0.13 -1.90 -2.96 132.00 134.36 2dly h PRO 17 Ca -0.44 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2dly h PRO 17 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dly h PRO 17 CO 0.90 0.74 0.00 0.11 -0.23 0.00 0.00 178.00 179.52 2dly h TRP 18 N -0.00 0.00 -3.63 1.56 5.08 -1.85 -3.40 115.95 113.70 2dly h TRP 18 Ca 0.02 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.39 2dly h TRP 18 Cb 0.68 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.73 2dly h TRP 18 CO 0.08 0.00 0.52 0.12 -1.28 0.00 0.00 178.44 177.88 2dly s PHE 19 N -3.68 2.96 -0.49 0.12 5.36 -1.12 -0.49 117.98 120.64 2dly s PHE 19 Ca -0.02 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.35 2dly s PHE 19 Cb 0.09 -3.84 0.45 0.00 -0.34 0.00 0.00 43.02 39.38 2dly s PHE 19 CO 0.32 -1.03 1.61 1.19 -1.46 0.00 0.00 175.22 175.85 2dly n PHE 20 N 6.99 3.01 0.00 10.12 3.01 -0.82 -4.87 117.46 134.90 2dly n PHE 20 Ca 0.05 -2.64 0.00 0.00 1.01 0.00 0.00 57.45 55.87 2dly n PHE 20 Cb 0.48 -0.87 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 -0.79 2.95 3.09 1.37 0.00 -1.26 -3.82 105.19 106.73 2dly n GLY 21 Ca 0.53 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.10 2.96 0.22 4.61 0.00 -1.26 0.06 121.76 127.25 2dly s ALA 22 Ca 0.00 -2.37 0.05 0.00 0.00 0.00 0.00 51.96 49.65 2dly s ALA 22 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2dly s ALA 22 CO 0.00 -1.64 -0.07 0.96 0.00 0.00 0.00 175.76 175.01 2dly s ILE 23 N 1.06 1.38 0.65 0.00 -4.36 -1.25 -4.89 121.20 113.80 2dly s ILE 23 Ca 0.06 -2.10 -0.06 0.00 -0.26 0.00 0.00 60.65 58.29 2dly s ILE 23 Cb -0.21 -2.21 0.04 0.00 1.25 0.00 0.00 42.46 41.33 2dly s ILE 23 CO -0.05 -0.46 0.96 -0.54 0.24 0.00 0.00 174.94 175.08 2dly s LYS 24 N -3.76 2.48 0.37 0.37 1.02 -1.26 -4.69 119.74 114.27 2dly s LYS 24 Ca 0.25 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.09 2dly s LYS 24 Cb 0.03 -2.23 0.75 0.00 -0.52 0.00 0.00 37.83 35.86 2dly s LYS 24 CO 0.08 -1.01 1.99 0.07 -0.92 0.00 0.00 175.35 175.56 2dly h ARG 25 N -0.40 0.71 -0.58 1.68 0.11 -1.99 -0.95 114.38 112.96 2dly h ARG 25 Ca -0.45 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 2dly h ARG 25 Cb 1.29 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 32.19 2dly h ARG 25 CO 0.60 0.47 0.34 0.00 0.10 0.00 0.00 179.97 181.47 2dly h ALA 26 N 1.63 0.75 -0.28 0.08 0.00 -1.98 0.56 119.26 120.02 2dly h ALA 26 Ca 0.26 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2dly h ALA 26 Cb 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2dly h ALA 26 CO -0.07 0.25 -0.38 -0.44 0.00 0.00 0.00 179.25 178.60 2dly h ASP 27 N 0.79 0.82 0.18 0.00 3.32 -1.75 -1.73 116.42 118.06 2dly h ASP 27 Ca 0.21 -0.50 -0.13 0.00 0.02 0.00 0.00 57.03 56.63 2dly h ASP 27 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2dly h ASP 27 CO -0.04 1.16 -0.47 0.00 -1.72 0.00 0.00 179.24 178.17 2dly h ALA 28 N 0.68 0.94 0.44 3.45 0.00 -0.99 -2.83 119.26 120.96 2dly h ALA 28 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2dly h ALA 28 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dly h ALA 28 CO 0.09 0.65 -0.21 0.93 0.00 0.00 0.00 179.25 180.71 2dly h GLU 29 N 0.28 -0.57 -1.00 0.00 5.08 0.18 -2.71 114.58 115.83 2dly h GLU 29 Ca 0.02 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 58.70 2dly h GLU 29 Cb 0.94 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.18 2dly h GLU 29 CO 0.08 -0.38 0.58 1.57 -1.00 0.00 0.00 179.01 179.86 2dly h LYS 30 N -1.06 0.44 -0.04 2.33 2.10 -1.40 1.03 116.57 119.96 2dly h LYS 30 Ca -0.06 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.49 2dly h LYS 30 Cb 0.45 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2dly h LYS 30 CO 0.10 0.29 -0.30 1.96 -2.00 0.00 0.00 179.45 179.50 2dly h GLN 31 N 0.45 0.07 0.00 0.07 1.08 -1.53 -2.12 115.11 113.13 2dly h GLN 31 Ca 0.69 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.86 2dly h GLN 31 Cb 1.46 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.88 2dly h GLN 31 CO -0.54 0.37 -0.06 -0.07 -0.95 0.00 0.00 178.83 177.57 2dly h LEU 32 N 0.07 0.00 -1.97 1.46 3.38 0.13 -3.28 115.31 115.10 2dly h LEU 32 Ca 0.01 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2dly h LEU 32 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dly h LEU 32 CO 0.04 0.99 0.01 -0.07 0.09 0.00 0.00 178.44 179.50 2dly h LEU 33 N -1.00 0.00 -7.59 1.67 3.38 -0.61 -3.44 115.31 107.72 2dly h LEU 33 Ca -0.02 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 2dly h LEU 33 Cb 0.94 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.86 2dly h LEU 33 CO -0.01 0.00 -1.17 0.00 0.09 0.00 0.00 178.44 177.35 2dly n TYR 34 N -2.54 -3.10 0.09 1.13 9.36 -0.80 -4.88 117.16 116.42 2dly n TYR 34 Ca -0.02 0.25 -0.04 0.00 3.32 0.00 0.00 57.90 61.41 2dly n TYR 34 Cb 0.05 -1.35 -0.02 0.00 -0.63 0.00 0.00 39.34 37.39 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 -0.28 -0.21 -1.76 2.98 0.87 -1.91 -3.14 113.55 110.10 2dly h SER 35 Ca -0.35 0.01 0.51 0.00 -1.23 0.00 0.00 61.79 60.72 2dly h SER 35 Cb 1.18 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 63.12 2dly h SER 35 CO 0.30 -0.08 1.36 -0.33 -0.53 0.00 0.00 176.83 177.55 2dly h GLU 36 N -0.39 0.00 -6.70 2.24 4.39 -1.96 -3.38 114.58 108.79 2dly h GLU 36 Ca -0.03 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.18 2dly h GLU 36 Cb 0.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2dly h GLU 36 CO 0.04 0.00 0.11 -0.80 -1.16 0.00 0.00 179.01 177.20 2dly s ASN 37 N -3.87 6.85 0.33 1.42 0.01 -1.19 -5.08 114.94 113.41 2dly s ASN 37 Ca -0.05 1.32 0.07 0.00 -0.71 0.00 0.00 52.86 53.50 2dly s ASN 37 Cb 0.24 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 2dly s ASN 37 CO 0.81 -0.15 0.24 0.00 -1.51 0.00 0.00 177.10 176.49 2dly n GLN 38 N -0.10 0.43 -1.48 -0.60 10.64 -1.26 -4.79 117.38 120.22 2dly n GLN 38 Ca 0.02 -3.21 -0.56 0.00 -1.83 0.00 0.00 57.00 51.42 2dly n GLN 38 Cb 0.53 2.45 -0.09 0.00 -0.86 0.00 0.00 30.24 32.27 2dly n GLN 38 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dly n THR 39 N -0.66 0.16 0.00 -0.39 -1.04 -1.26 -1.68 114.28 109.41 2dly n THR 39 Ca 0.05 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2dly n THR 39 Cb 0.58 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 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 6.06 2.76 3.58 3.41 0.00 -0.41 -4.89 105.19 115.69 2dly n GLY 40 Ca 0.41 -0.52 -0.57 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.46 4.61 0.00 -0.68 -3.74 120.51 118.40 2dly n ALA 41 Ca 0.00 0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 2dly n ALA 41 Cb 0.00 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 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 4.90 2.31 -0.28 0.00 -0.71 -0.54 -1.21 117.98 122.45 2dly s PHE 42 Ca 1.05 -0.33 -0.18 0.00 -1.04 0.00 0.00 56.93 56.42 2dly s PHE 42 Cb -1.09 -1.04 0.10 0.00 -1.21 0.00 0.00 43.02 39.78 2dly s PHE 42 CO 0.62 0.66 0.83 -0.48 -1.34 0.00 0.00 175.22 175.50 2dly s LEU 43 N -3.28 -0.72 0.04 -1.99 0.05 0.37 0.15 118.68 113.31 2dly s LEU 43 Ca 0.28 1.21 0.01 0.00 0.05 0.00 0.00 54.13 55.67 2dly s LEU 43 Cb -0.06 2.13 -0.04 0.00 -2.05 0.00 0.00 46.19 46.17 2dly s LEU 43 CO 0.14 -0.19 0.10 -0.63 -0.55 0.00 0.00 176.35 175.22 2dly s ILE 44 N 1.23 4.77 0.14 1.48 1.09 0.36 -0.34 121.20 129.93 2dly s ILE 44 Ca -0.07 -0.56 -0.08 0.00 -1.10 0.00 0.00 60.65 58.84 2dly s ILE 44 Cb -0.05 -3.26 -0.01 0.00 -1.06 0.00 0.00 42.46 38.09 2dly s ILE 44 CO -0.14 0.22 0.23 0.00 -0.10 0.00 0.00 174.94 175.14 2dly s ARG 45 N -2.16 1.06 -0.12 2.79 1.70 -0.54 -1.95 118.95 119.73 2dly s ARG 45 Ca 0.28 -1.17 -0.27 0.00 -0.47 0.00 0.00 55.73 54.10 2dly s ARG 45 Cb -0.12 0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2dly s ARG 45 CO 0.20 -0.37 0.91 -1.21 -1.08 0.00 0.00 175.30 173.75 2dly s GLU 46 N -3.96 4.39 -0.20 3.89 2.02 0.11 -0.33 118.70 124.62 2dly s GLU 46 Ca 0.16 1.20 -0.30 0.00 0.02 0.00 0.00 54.97 56.05 2dly s GLU 46 Cb 0.04 -3.54 -0.07 0.00 0.10 0.00 0.00 34.13 30.66 2dly s GLU 46 CO -0.02 -0.27 2.16 0.43 0.02 0.00 0.00 175.26 177.58 2dly n SER 47 N 4.90 3.19 -4.46 -0.19 7.64 -0.62 -4.22 113.62 119.86 2dly n SER 47 Ca 0.06 0.40 -0.31 0.00 1.01 0.00 0.00 58.87 60.03 2dly n SER 47 Cb 0.49 -1.48 0.17 0.00 -1.01 0.00 0.00 64.21 62.38 2dly n SER 47 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dly n GLU 48 N 8.31 -0.99 -2.01 1.43 4.07 -1.26 -2.71 120.64 127.48 2dly n GLU 48 Ca 0.30 -0.25 -0.19 0.00 -0.06 0.00 0.00 57.16 56.96 2dly n GLU 48 Cb 0.39 -2.02 -0.04 0.00 -0.06 0.00 0.00 31.44 29.71 2dly n GLU 48 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2dly n SER 49 N -2.81 -5.20 -3.63 4.31 2.88 -1.26 -4.91 113.62 103.01 2dly n SER 49 Ca 0.06 0.24 -0.07 0.00 -1.33 0.00 0.00 58.87 57.77 2dly n SER 49 Cb 0.55 -4.48 -0.02 0.00 -0.75 0.00 0.00 64.21 59.51 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 -4.37 1.14 -0.17 -1.46 2.00 -1.10 -5.15 119.66 110.56 2dly s GLN 50 Ca 0.00 -0.54 -0.01 0.00 -2.00 0.00 0.00 55.36 52.81 2dly s GLN 50 Cb 0.00 0.45 0.05 0.00 0.80 0.00 0.00 33.01 34.31 2dly s GLN 50 CO 0.00 -0.51 -0.02 0.21 -0.50 0.00 0.00 175.29 174.47 2dly s LYS 51 N -3.37 1.11 0.00 1.67 2.47 -1.26 -4.75 119.74 115.60 2dly s LYS 51 Ca 0.08 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 54.04 2dly s LYS 51 Cb -0.02 -1.96 0.00 0.00 -1.46 0.00 0.00 37.83 34.39 2dly s LYS 51 CO -0.04 -0.50 0.00 0.41 0.16 0.00 0.00 175.35 175.39 2dly n GLY 52 N 4.94 3.30 3.74 5.54 0.00 -1.26 -5.10 105.19 116.36 2dly n GLY 52 Ca -0.10 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 4.44 0.11 1.61 1.11 -1.26 -4.94 116.67 117.74 2dly s ASP 53 Ca 0.00 2.07 -0.01 0.00 0.18 0.00 0.00 52.55 54.79 2dly s ASP 53 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2dly s ASP 53 CO 0.00 -2.09 0.02 -0.36 1.18 0.00 0.00 175.17 173.93 2dly s PHE 54 N -2.43 0.79 -0.03 4.23 0.40 -1.26 -1.59 117.98 118.09 2dly s PHE 54 Ca 0.67 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 2dly s PHE 54 Cb -0.22 -0.47 0.02 0.00 0.51 0.00 0.00 43.02 42.85 2dly s PHE 54 CO 0.48 -0.45 -0.04 -1.12 0.70 0.00 0.00 175.22 174.80 2dly s SER 55 N -3.02 0.71 -0.29 1.36 0.01 0.55 -2.44 113.70 110.58 2dly s SER 55 Ca 0.19 -0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.24 2dly s SER 55 Cb 0.07 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2dly s SER 55 CO -0.02 -0.03 0.22 -0.22 0.41 0.00 0.00 173.24 173.61 2dly s LEU 56 N 0.62 4.15 -0.28 2.44 2.96 -0.74 -1.47 118.68 126.37 2dly s LEU 56 Ca -0.07 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2dly s LEU 56 Cb -0.11 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.44 2dly s LEU 56 CO -0.00 -0.11 0.04 -0.55 -1.32 0.00 0.00 176.35 174.40 2dly s SER 57 N 1.74 4.87 0.16 3.68 0.15 0.54 -1.62 113.70 123.22 2dly s SER 57 Ca 0.08 -0.71 0.10 0.00 0.70 0.00 0.00 55.95 56.11 2dly s SER 57 Cb -0.16 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 2dly s SER 57 CO 0.11 -0.16 -0.23 -0.69 1.20 0.00 0.00 173.24 173.47 2dly s VAL 58 N 1.46 2.14 -0.20 4.45 1.01 -1.19 -0.48 120.40 127.59 2dly s VAL 58 Ca 0.02 -1.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.01 2dly s VAL 58 Cb -0.17 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2dly s VAL 58 CO 0.00 -0.11 0.13 -0.22 0.00 0.00 0.00 175.10 174.90 2dly s LEU 59 N -2.46 4.18 -0.44 3.92 2.96 -0.35 -1.09 118.68 125.39 2dly s LEU 59 Ca 0.17 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 2dly s LEU 59 Cb -0.08 -2.08 0.15 0.00 0.50 0.00 0.00 46.19 44.68 2dly s LEU 59 CO 0.08 0.17 0.30 -0.62 -1.32 0.00 0.00 176.35 174.96 2dly s ASP 60 N 0.43 2.86 -0.54 3.68 2.15 0.73 -1.29 116.67 124.69 2dly s ASP 60 Ca 0.08 -2.84 -0.00 0.00 0.43 0.00 0.00 52.55 50.22 2dly s ASP 60 Cb -0.11 -0.75 -0.00 0.00 -0.30 0.00 0.00 42.92 41.75 2dly s ASP 60 CO -0.01 -0.22 0.45 -0.62 -0.17 0.00 0.00 175.17 174.60 2dly n GLU 61 N 3.21 -2.92 -0.33 4.34 1.02 -1.26 -2.97 120.64 121.73 2dly n GLU 61 Ca 0.18 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2dly n GLU 61 Cb 0.40 -3.99 0.00 0.00 -0.02 0.00 0.00 31.44 27.82 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 -1.07 2.03 3.94 0.62 0.00 -1.26 -4.99 105.19 104.46 2dly n GLY 62 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 5.23 -0.31 1.61 0.11 -1.16 -4.84 120.40 117.97 2dly s VAL 63 Ca 0.00 -0.62 -0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2dly s VAL 63 Cb 0.00 -3.79 0.06 0.00 -1.53 0.00 0.00 36.38 31.12 2dly s VAL 63 CO 0.00 -0.26 0.00 -0.69 -3.33 0.00 0.00 175.10 170.82 2dly s VAL 64 N -1.94 2.79 -0.55 2.04 1.01 -1.26 -0.19 120.40 122.30 2dly s VAL 64 Ca 0.37 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2dly s VAL 64 Cb -0.10 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.64 2dly s VAL 64 CO 0.30 -0.19 0.89 -0.54 0.00 0.00 0.00 175.10 175.57 2dly s LYS 65 N 1.18 3.29 -0.46 2.72 3.01 -0.25 -4.92 119.74 124.31 2dly s LYS 65 Ca -0.03 -0.39 -0.27 0.00 -1.01 0.00 0.00 55.97 54.27 2dly s LYS 65 Cb -0.20 -4.07 0.03 0.00 -1.01 0.00 0.00 37.83 32.58 2dly s LYS 65 CO -0.03 -1.46 0.99 -1.01 0.51 0.00 0.00 175.35 174.35 2dly s HIS 66 N 3.75 2.90 -0.22 3.18 3.76 -1.26 -3.14 115.29 124.25 2dly s HIS 66 Ca 0.28 0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 55.64 2dly s HIS 66 Cb -0.14 -4.08 -0.03 0.00 1.11 0.00 0.00 32.58 29.45 2dly s HIS 66 CO 0.18 -1.13 0.04 0.71 -0.85 0.00 0.00 174.74 173.69 2dly s TYR 67 N 3.93 3.07 0.00 1.40 2.02 -0.64 -5.00 117.35 122.14 2dly s TYR 67 Ca 0.40 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 2dly s TYR 67 Cb -0.09 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.26 2dly s TYR 67 CO 0.27 -0.29 1.28 0.50 -1.57 0.00 0.00 175.55 175.74 2dly s ARG 68 N 1.30 4.35 -0.50 -0.62 6.06 -1.26 -1.78 118.95 126.49 2dly s ARG 68 Ca 0.04 1.82 -0.16 0.00 -2.50 0.00 0.00 55.73 54.93 2dly s ARG 68 Cb -0.15 -3.49 0.09 0.00 0.06 0.00 0.00 34.95 31.46 2dly s ARG 68 CO 0.02 -0.44 0.48 0.42 -2.50 0.00 0.00 175.30 173.27 2dly s ILE 69 N 1.92 5.15 0.21 4.11 1.01 -1.02 -4.78 121.20 127.79 2dly s ILE 69 Ca 0.60 -1.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 2dly s ILE 69 Cb -0.29 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 37.88 2dly s ILE 69 CO 0.26 -0.72 0.59 -0.13 0.00 0.00 0.00 174.94 174.95 2dly s ARG 70 N 1.86 3.95 0.15 2.79 3.00 -1.11 -3.99 118.95 125.59 2dly s ARG 70 Ca 0.06 0.48 0.08 0.00 0.00 0.00 0.00 55.73 56.35 2dly s ARG 70 Cb -0.25 -2.75 -0.04 0.00 0.00 0.00 0.00 34.95 31.91 2dly s ARG 70 CO 0.07 0.37 -0.11 1.03 0.00 0.00 0.00 175.30 176.66 2dly s ARG 71 N -2.41 2.05 0.39 3.54 0.52 -1.26 -1.17 118.95 120.60 2dly s ARG 71 Ca 0.44 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.53 2dly s ARG 71 Cb -0.13 -2.20 0.06 0.00 0.52 0.00 0.00 34.95 33.20 2dly s ARG 71 CO 0.20 0.46 0.51 1.28 0.02 0.00 0.00 175.30 177.77 2dly n LEU 72 N 0.33 0.00 -0.01 2.53 7.99 -0.35 -5.00 117.00 122.50 2dly n LEU 72 Ca -0.12 -1.71 0.08 0.00 -0.01 0.00 0.00 56.01 54.25 2dly n LEU 72 Cb 0.54 -0.26 -0.12 0.00 -0.11 0.00 0.00 43.42 43.47 2dly n LEU 72 CO 0.34 -0.62 -0.61 -0.90 -1.51 0.00 0.00 177.39 174.08 2dly n ASP 73 N -2.47 1.17 -0.06 -1.43 5.68 -1.26 -4.57 116.55 113.60 2dly n ASP 73 Ca 0.10 -0.12 -0.07 0.00 -0.50 0.00 0.00 54.79 54.20 2dly n ASP 73 Cb 0.41 1.65 -0.09 0.00 -1.14 0.00 0.00 41.12 41.95 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2dly n GLU 74 N -1.98 1.67 0.00 0.11 -0.00 -1.26 -5.01 120.64 114.17 2dly n GLU 74 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 2dly n GLU 74 Cb 0.41 -1.32 0.00 0.00 -0.00 0.00 0.00 31.44 30.53 2dly n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dly n GLY 75 N 2.34 0.53 0.00 -1.84 0.00 -1.26 -5.15 105.19 99.81 2dly n GLY 75 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.11 3.60 -0.02 0.00 -1.08 -4.80 105.19 109.00 2dly n GLY 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.99 2.78 -0.28 1.61 0.08 -0.97 -1.21 117.98 120.97 2dly s PHE 77 Ca 0.00 -0.14 -0.16 0.00 0.12 0.00 0.00 56.93 56.74 2dly s PHE 77 Cb 0.00 -1.42 0.09 0.00 -0.57 0.00 0.00 43.02 41.11 2dly s PHE 77 CO 0.00 0.46 0.72 -0.59 -0.10 0.00 0.00 175.22 175.71 2dly s PHE 78 N -1.35 -1.00 -0.64 0.36 -0.71 -0.32 0.17 117.98 114.48 2dly s PHE 78 Ca 0.23 2.02 0.23 0.00 -1.04 0.00 0.00 56.93 58.38 2dly s PHE 78 Cb -0.11 0.60 0.17 0.00 -1.21 0.00 0.00 43.02 42.47 2dly s PHE 78 CO 0.15 -0.50 1.15 -0.11 -1.34 0.00 0.00 175.22 174.57 2dly n LEU 79 N 4.20 0.64 -3.60 -1.99 7.94 -1.26 -2.76 117.00 120.16 2dly n LEU 79 Ca -0.20 0.06 -0.06 0.00 -1.11 0.00 0.00 56.01 54.70 2dly n LEU 79 Cb 0.59 -0.13 -0.08 0.00 0.53 0.00 0.00 43.42 44.33 2dly n LEU 79 CO -0.01 0.02 0.07 0.28 -1.11 0.00 0.00 177.39 176.63 2dly s THR 80 N -3.17 -0.73 0.22 1.96 -1.32 -1.26 -4.94 115.64 106.40 2dly s THR 80 Ca 0.05 0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.68 2dly s THR 80 Cb 0.14 -0.76 0.28 0.00 -1.51 0.00 0.00 72.50 70.65 2dly s THR 80 CO 0.77 0.03 1.08 0.54 -2.21 0.00 0.00 174.62 174.83 2dly n ARG 81 N 5.40 -0.05 -0.30 7.08 5.12 -1.26 0.12 116.66 132.77 2dly n ARG 81 Ca -0.08 1.01 0.04 0.00 -1.93 0.00 0.00 57.85 56.88 2dly n ARG 81 Cb 0.49 -1.65 0.11 0.00 -1.16 0.00 0.00 32.46 30.25 2dly n ARG 81 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2dly h ARG 82 N 0.00 0.00 -6.51 5.56 0.11 -2.01 -3.40 114.38 108.13 2dly h ARG 82 Ca 0.46 -0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.90 2dly h ARG 82 Cb 1.03 -0.00 -0.17 0.00 1.11 0.00 0.00 29.97 31.95 2dly h ARG 82 CO -0.62 0.00 -0.79 0.21 0.10 0.00 0.00 179.97 178.87 2dly s LYS 83 N -6.25 1.65 -0.10 0.08 2.47 0.33 -5.15 119.74 112.77 2dly s LYS 83 Ca -0.15 -1.52 -0.09 0.00 -1.56 0.00 0.00 55.97 52.65 2dly s LYS 83 Cb 0.24 -1.89 0.03 0.00 -1.46 0.00 0.00 37.83 34.75 2dly s LYS 83 CO 0.76 0.39 0.27 0.08 0.16 0.00 0.00 175.35 177.02 2dly s VAL 84 N -1.83 -0.01 0.41 4.02 1.01 -1.26 -4.10 120.40 118.65 2dly s VAL 84 Ca 0.23 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2dly s VAL 84 Cb -0.08 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.93 2dly s VAL 84 CO 0.12 0.01 0.13 0.49 0.00 0.00 0.00 175.10 175.85 2dly n PHE 85 N 3.11 0.24 -0.07 5.22 3.72 0.13 -5.01 117.46 124.81 2dly n PHE 85 Ca -0.14 -1.92 -0.11 0.00 -0.05 0.00 0.00 57.45 55.22 2dly n PHE 85 Cb 0.57 -0.30 -0.05 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.50 2.09 -4.19 4.37 7.64 -1.26 -2.30 113.62 118.47 2dly n SER 86 Ca -0.11 0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.65 2dly n SER 86 Cb 0.50 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.25 1.07 0.60 0.44 -4.23 -1.26 -3.98 115.64 106.03 2dly s THR 87 Ca -0.18 -1.63 0.29 0.00 -1.18 0.00 0.00 61.69 58.99 2dly s THR 87 Cb 0.06 -1.37 0.39 0.00 1.34 0.00 0.00 72.50 72.92 2dly s THR 87 CO 0.27 -0.48 1.66 -0.07 -0.54 0.00 0.00 174.62 175.45 2dly h LEU 88 N 3.62 0.00 0.70 4.79 3.38 -1.97 -0.83 115.31 125.01 2dly h LEU 88 Ca -0.38 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2dly h LEU 88 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.95 2dly h LEU 88 CO 0.51 0.00 -0.33 -1.13 0.09 0.00 0.00 178.44 177.57 2dly h ASN 89 N 0.00 -0.79 0.35 -0.43 -0.00 -2.00 -2.68 115.58 110.03 2dly h ASN 89 Ca 0.34 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.67 2dly h ASN 89 Cb 1.93 0.21 0.00 0.00 -0.00 0.00 0.00 38.32 40.46 2dly h ASN 89 CO -0.00 -0.50 0.00 -0.33 -0.00 0.00 0.00 177.43 176.60 2dly h GLU 90 N -1.07 0.00 -0.28 6.67 5.08 -1.59 -0.11 114.58 123.28 2dly h GLU 90 Ca -0.10 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 2dly h GLU 90 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dly h GLU 90 CO 0.16 0.00 -0.51 0.35 -1.00 0.00 0.00 179.01 178.01 2dly h PHE 91 N 0.00 1.06 0.06 4.33 3.04 -1.08 -3.07 116.94 121.29 2dly h PHE 91 Ca 0.00 -0.38 -0.35 0.00 3.98 0.00 0.00 57.97 61.23 2dly h PHE 91 Cb 0.18 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.45 2dly h PHE 91 CO 0.00 1.20 -1.99 0.28 -2.02 0.00 0.00 178.31 175.78 2dly n VAL 92 N -4.05 1.67 0.13 1.41 0.31 -0.89 -3.71 118.33 113.19 2dly n VAL 92 Ca -0.04 -0.70 0.08 0.00 -0.01 0.00 0.00 64.34 63.66 2dly n VAL 92 Cb 0.61 -1.40 0.42 0.00 -0.91 0.00 0.00 33.84 32.56 2dly n VAL 92 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2dly n ASN 93 N -3.27 0.40 -0.05 4.52 3.02 -0.10 -1.21 115.26 118.57 2dly n ASN 93 Ca -0.29 0.69 -0.04 0.00 -0.03 0.00 0.00 54.58 54.91 2dly n ASN 93 Cb 1.05 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 2dly n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dly n TYR 94 N -2.04 0.44 0.07 3.10 9.36 -1.16 -4.35 117.16 122.57 2dly n TYR 94 Ca -0.01 0.19 0.20 0.00 3.32 0.00 0.00 57.90 61.60 2dly n TYR 94 Cb 0.03 -0.52 0.74 0.00 -0.63 0.00 0.00 39.34 38.96 2dly n TYR 94 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2dly h TYR 95 N -0.68 0.00 0.00 2.98 0.05 -1.61 0.40 116.97 118.11 2dly h TYR 95 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dly h TYR 95 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2dly h TYR 95 CO -0.20 0.00 0.19 0.25 -1.05 0.00 0.00 178.16 177.36 2dly n THR 96 N -4.01 0.84 -0.09 -2.88 -2.24 -0.35 -0.33 114.28 105.21 2dly n THR 96 Ca 0.08 0.71 -0.09 0.00 -2.27 0.00 0.00 64.05 62.48 2dly n THR 96 Cb 0.57 -1.71 -0.14 0.00 -2.10 0.00 0.00 70.33 66.95 2dly n THR 96 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2dly n THR 97 N -2.03 1.23 -3.57 4.28 -2.24 0.13 -4.80 114.28 107.28 2dly n THR 97 Ca -0.01 -0.77 -0.15 0.00 -2.27 0.00 0.00 64.05 60.85 2dly n THR 97 Cb 0.22 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 2dly n THR 97 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dly s THR 98 N -2.46 0.02 -0.45 4.28 -1.32 0.55 -5.04 115.64 111.21 2dly s THR 98 Ca -0.09 -0.18 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 2dly s THR 98 Cb 0.06 -0.93 0.60 0.00 -1.51 0.00 0.00 72.50 70.71 2dly s THR 98 CO 0.75 -0.10 1.84 -1.54 -2.21 0.00 0.00 174.62 173.36 2dly n SER 99 N 0.68 4.14 -3.14 8.08 3.41 -1.26 -4.24 113.62 121.30 2dly n SER 99 Ca -0.19 -3.68 -0.32 0.00 -0.26 0.00 0.00 58.87 54.42 2dly n SER 99 Cb 0.59 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.10 0.28 0.00 4.04 8.00 -1.26 0.17 116.55 126.67 2dly n ASP 100 Ca 0.55 0.21 0.00 0.00 0.71 0.00 0.00 54.79 56.26 2dly n ASP 100 Cb 1.39 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 4.76 2.08 3.73 0.44 0.00 -1.26 -5.00 105.19 109.94 2dly n GLY 101 Ca 0.45 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2dly n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dly s LEU 102 N 0.00 3.59 0.31 0.99 1.43 0.44 -4.91 118.68 120.53 2dly s LEU 102 Ca 0.00 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 2dly s LEU 102 Cb 0.00 -4.60 0.49 0.00 0.03 0.00 0.00 46.19 42.11 2dly s LEU 102 CO 0.00 -2.00 1.90 0.00 0.23 0.00 0.00 176.35 176.48 2dly s VAL 104 N -5.42 0.18 -0.14 0.00 0.11 -1.26 -5.08 120.40 108.78 2dly s VAL 104 Ca -0.10 -1.52 -0.17 0.00 -2.93 0.00 0.00 61.98 57.25 2dly s VAL 104 Cb 0.16 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2dly s VAL 104 CO 0.79 -0.84 0.45 -0.75 -3.33 0.00 0.00 175.10 171.42 2dly s LYS 105 N -3.49 4.30 -0.23 1.54 2.20 -1.26 -4.69 119.74 118.10 2dly s LYS 105 Ca 0.03 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2dly s LYS 105 Cb 0.05 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 2dly s LYS 105 CO -0.09 0.11 2.20 1.28 -0.36 0.00 0.00 175.35 178.50 2dly n LEU 106 N 3.88 3.05 -0.10 5.43 4.77 -1.25 -4.80 117.00 127.97 2dly n LEU 106 Ca -0.07 0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 56.01 2dly n LEU 106 Cb 0.51 -1.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 2dly n LEU 106 CO 0.42 -0.65 -0.75 -0.62 -1.33 0.00 0.00 177.39 174.46 2dly n GLU 107 N 8.55 0.54 -3.92 3.23 -0.58 -1.25 -4.16 120.64 123.06 2dly n GLU 107 Ca 0.32 0.44 -0.09 0.00 -0.42 0.00 0.00 57.16 57.40 2dly n GLU 107 Cb 0.40 -1.63 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 2dly n GLU 107 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2dly s LYS 108 N -2.45 0.60 0.89 3.49 -2.85 -1.26 -5.05 119.74 113.12 2dly s LYS 108 Ca -0.28 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.97 53.84 2dly s LYS 108 Cb 0.07 0.24 0.13 0.00 -2.06 0.00 0.00 37.83 36.20 2dly s LYS 108 CO 0.46 -0.15 1.09 -1.25 0.10 0.00 0.00 175.35 175.60 2dly s PRO 109 N -2.59 1.29 0.46 1.78 0.04 -1.26 -1.47 135.00 133.25 2dly s PRO 109 Ca -0.05 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 61.62 2dly s PRO 109 Cb -0.01 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 2dly s PRO 109 CO -0.04 -2.22 0.99 0.00 0.04 0.00 0.00 177.00 175.76 2dly s LEU 111 N -3.34 2.70 -0.05 0.00 1.43 -1.26 -4.59 118.68 113.57 2dly s LEU 111 Ca 0.64 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 2dly s LEU 111 Cb -0.12 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 2dly s LEU 111 CO 0.17 -2.16 -0.23 -0.54 0.23 0.00 0.00 176.35 173.82 2dly s LYS 112 N -5.59 2.22 0.07 1.70 3.01 -1.26 -4.93 119.74 114.97 2dly s LYS 112 Ca 0.67 -0.82 0.01 0.00 -1.01 0.00 0.00 55.97 54.82 2dly s LYS 112 Cb -0.08 -1.94 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 2dly s LYS 112 CO 0.49 0.37 0.18 0.42 0.51 0.00 0.00 175.35 177.33 2dly s ILE 113 N -0.19 5.17 -0.49 2.17 1.01 -1.26 -5.04 121.20 122.57 2dly s ILE 113 Ca -0.01 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.85 2dly s ILE 113 Cb -0.12 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2dly s ILE 113 CO 0.02 0.11 1.79 -1.10 0.00 0.00 0.00 174.94 175.77 2dly s GLN 114 N -2.55 2.99 -0.22 2.79 1.11 -1.26 -4.78 119.66 117.74 2dly s GLN 114 Ca 0.34 0.95 0.03 0.00 0.01 0.00 0.00 55.36 56.68 2dly s GLN 114 Cb -0.13 -4.28 -0.15 0.00 -1.01 0.00 0.00 33.01 27.45 2dly s GLN 114 CO 0.27 -2.28 -0.18 1.33 0.01 0.00 0.00 175.29 174.44 2dly n VAL 115 N 7.27 1.26 -0.25 1.09 0.24 -1.26 -4.52 118.33 122.16 2dly n VAL 115 Ca 0.21 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.15 2dly n VAL 115 Cb 0.50 -1.23 0.28 0.00 -1.47 0.00 0.00 33.84 31.92 2dly n VAL 115 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dly n SER 116 N -3.11 0.02 0.00 -1.34 3.41 -1.26 -4.75 113.62 106.59 2dly n SER 116 Ca -0.38 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 2dly n SER 116 Cb 0.93 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2dly n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dly n GLY 117 N -1.31 4.19 3.55 5.00 0.00 -1.26 -5.06 105.19 110.29 2dly n GLY 117 Ca 0.20 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.79 2.60 -0.31 1.61 0.04 -1.26 -4.94 135.00 129.95 2dly s PRO 118 Ca 0.00 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.35 2dly s PRO 118 Cb 0.00 -4.62 0.07 0.00 0.04 0.00 0.00 34.50 30.00 2dly s PRO 118 CO 0.00 -2.95 0.01 -1.54 0.04 0.00 0.00 177.00 172.56 2dly s SER 119 N 8.08 4.79 -0.08 6.66 1.04 -1.26 -5.09 113.70 127.85 2dly s SER 119 Ca 0.68 -1.61 -0.25 0.00 0.48 0.00 0.00 55.95 55.25 2dly s SER 119 Cb -0.11 -1.67 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 2dly s SER 119 CO 0.13 -0.31 0.79 -0.44 0.98 0.00 0.00 173.24 174.39 2dly s SER 120 N 1.22 7.06 0.00 7.02 0.01 -1.26 -5.27 113.70 122.48 2dly s SER 120 Ca -0.01 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2dly s SER 120 Cb -0.20 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2dly s SER 120 CO -0.04 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.01