#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 4.06 0.18 1.61 0.01 -1.26 -5.16 113.70 113.14 2dly s SER 2 Ca 0.00 -1.25 -0.03 0.00 1.31 0.00 0.00 55.95 55.98 2dly s SER 2 Cb 0.00 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 2dly s SER 2 CO 0.00 -0.45 0.15 -0.44 0.41 0.00 0.00 173.24 172.91 2dly s SER 3 N -3.77 0.17 -0.25 2.44 0.01 -1.26 -5.17 113.70 105.88 2dly s SER 3 Ca 0.37 -1.22 -0.22 0.00 1.31 0.00 0.00 55.95 56.18 2dly s SER 3 Cb 0.07 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.74 2dly s SER 3 CO 0.19 -0.83 0.65 -0.83 0.41 0.00 0.00 173.24 172.83 2dly s GLY 4 N -3.09 -0.49 -0.13 3.44 0.00 -1.26 -5.17 107.32 100.62 2dly s GLY 4 Ca 0.30 1.86 -0.29 0.00 0.00 0.00 0.00 44.72 46.58 2dly s GLY 4 CO 0.07 1.61 0.74 -0.56 0.00 0.00 0.00 173.10 174.96 2dly s SER 5 N 0.39 -0.65 0.10 1.64 0.01 -1.26 -5.18 113.70 108.75 2dly s SER 5 Ca -0.00 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.17 2dly s SER 5 Cb -0.05 0.77 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 2dly s SER 5 CO 0.00 -0.47 -0.08 -0.55 0.41 0.00 0.00 173.24 172.55 2dly s SER 6 N -0.71 1.25 0.00 2.44 0.15 -1.26 -5.12 113.70 110.46 2dly s SER 6 Ca -0.07 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2dly s SER 6 Cb -0.02 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2dly s SER 6 CO 0.06 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2dly n GLY 7 N 0.29 3.52 3.61 9.45 0.00 -1.26 -5.19 105.19 115.61 2dly n GLY 7 Ca -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.07 -0.17 4.61 0.00 -1.26 -5.02 121.76 117.86 2dly s ALA 8 Ca 0.00 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 2dly s ALA 8 Cb 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 2dly s ALA 8 CO 0.00 -0.82 -0.10 -1.91 0.00 0.00 0.00 175.76 172.93 2dly n GLU 9 N -0.29 0.49 -2.55 0.00 4.07 -1.26 -4.95 120.64 116.16 2dly n GLU 9 Ca -0.04 0.50 -0.33 0.00 -0.06 0.00 0.00 57.16 57.23 2dly n GLU 9 Cb 0.61 -1.68 -0.04 0.00 -0.06 0.00 0.00 31.44 30.27 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 -6.10 6.50 0.14 4.31 1.47 -1.26 -4.99 116.67 116.74 2dly s ASP 10 Ca -0.20 1.79 0.00 0.00 1.18 0.00 0.00 52.55 55.31 2dly s ASP 10 Cb 0.04 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 2dly s ASP 10 CO 0.34 -0.67 0.00 0.54 0.68 0.00 0.00 175.17 176.06 2dly n ARG 11 N -1.09 0.00 0.06 2.11 1.74 -1.26 -4.77 116.66 113.45 2dly n ARG 11 Ca 0.08 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.37 2dly n ARG 11 Cb 0.53 -0.28 0.74 0.00 -1.02 0.00 0.00 32.46 32.43 2dly n ARG 11 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2dly h SER 12 N 0.00 0.00 -0.41 0.55 4.64 -2.04 0.30 113.55 116.59 2dly h SER 12 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2dly h SER 12 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2dly h SER 12 CO 0.00 0.00 0.53 0.25 -0.87 0.00 0.00 176.83 176.74 2dly h LEU 13 N 0.00 0.00 -2.13 5.97 6.46 -1.99 0.22 115.31 123.84 2dly h LEU 13 Ca 0.22 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 2dly h LEU 13 Cb 1.13 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.05 2dly h LEU 13 CO -0.00 0.00 0.27 1.56 -0.62 0.00 0.00 178.44 179.64 2dly h GLN 14 N 0.00 0.00 0.00 1.25 1.08 -1.27 0.15 115.11 116.31 2dly h GLN 14 Ca 0.19 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 2dly h GLN 14 Cb 1.24 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2dly h GLN 14 CO -0.00 0.00 -0.34 0.00 -0.95 0.00 0.00 178.83 177.54 2dly h ALA 15 N 1.73 1.30 -2.24 3.87 0.00 -0.79 -3.45 119.26 119.68 2dly h ALA 15 Ca 0.13 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 2dly h ALA 15 Cb 0.66 -0.05 0.08 0.00 0.00 0.00 0.00 17.79 18.47 2dly h ALA 15 CO -0.00 0.43 0.57 0.39 0.00 0.00 0.00 179.25 180.64 2dly n GLU 16 N -3.93 1.91 -0.06 0.00 -0.58 0.51 -4.91 120.64 113.58 2dly n GLU 16 Ca -0.02 0.68 -0.13 0.00 -0.42 0.00 0.00 57.16 57.27 2dly n GLU 16 Cb 0.40 -2.32 -0.07 0.00 -0.57 0.00 0.00 31.44 28.89 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 4.16 0.37 0.00 3.49 0.13 -1.87 -2.99 132.00 135.30 2dly h PRO 17 Ca -0.45 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2dly h PRO 17 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dly h PRO 17 CO 0.75 0.75 0.00 -2.67 -0.23 0.00 0.00 178.00 176.61 2dly n TRP 18 N -4.54 0.85 -2.97 1.56 4.27 -1.26 -4.58 117.44 110.77 2dly n TRP 18 Ca -0.06 0.34 -0.42 0.00 -3.89 0.00 0.00 57.50 53.47 2dly n TRP 18 Cb 0.37 -1.05 -0.05 0.00 -1.36 0.00 0.00 31.31 29.21 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 -3.36 3.14 -0.28 -2.67 5.36 -1.13 -0.97 117.98 118.07 2dly s PHE 19 Ca 0.03 0.60 0.09 0.00 -0.96 0.00 0.00 56.93 56.70 2dly s PHE 19 Cb 0.09 -3.33 0.50 0.00 -0.34 0.00 0.00 43.02 39.93 2dly s PHE 19 CO 0.38 -0.68 1.44 1.19 -1.46 0.00 0.00 175.22 176.09 2dly n PHE 20 N 6.33 0.96 0.00 10.12 3.01 -1.09 -4.80 117.46 132.00 2dly n PHE 20 Ca 0.03 -1.59 0.00 0.00 1.01 0.00 0.00 57.45 56.90 2dly n PHE 20 Cb 0.48 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.12 4.12 3.11 1.37 0.00 -1.26 -4.11 105.19 107.29 2dly n GLY 21 Ca 0.32 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.11 2.96 0.19 4.61 0.00 -1.26 0.00 121.76 127.15 2dly s ALA 22 Ca 0.00 -2.27 0.03 0.00 0.00 0.00 0.00 51.96 49.72 2dly s ALA 22 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 2dly s ALA 22 CO 0.00 -1.59 -0.03 0.96 0.00 0.00 0.00 175.76 175.10 2dly s ILE 23 N 1.11 0.94 0.42 0.00 -4.36 -1.26 -4.90 121.20 113.15 2dly s ILE 23 Ca 0.04 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 2dly s ILE 23 Cb -0.21 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 2dly s ILE 23 CO -0.04 -0.50 0.65 -0.54 0.24 0.00 0.00 174.94 174.74 2dly s LYS 24 N -3.85 3.32 0.43 0.37 1.02 -1.26 -4.67 119.74 115.10 2dly s LYS 24 Ca 0.23 -0.29 0.18 0.00 0.02 0.00 0.00 55.97 56.11 2dly s LYS 24 Cb 0.05 -2.56 1.09 0.00 -0.52 0.00 0.00 37.83 35.89 2dly s LYS 24 CO 0.05 -0.09 1.88 0.07 -0.92 0.00 0.00 175.35 176.33 2dly h ARG 25 N 0.50 0.38 -0.31 1.68 0.11 -1.99 0.23 114.38 114.98 2dly h ARG 25 Ca -0.48 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.56 2dly h ARG 25 Cb 1.23 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2dly h ARG 25 CO 0.60 0.25 0.13 0.00 0.10 0.00 0.00 179.97 181.05 2dly h ALA 26 N 1.62 0.40 -0.36 0.08 0.00 -1.99 0.18 119.26 119.18 2dly h ALA 26 Ca 0.43 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2dly h ALA 26 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2dly h ALA 26 CO -0.15 -0.01 -0.35 -0.44 0.00 0.00 0.00 179.25 178.29 2dly h ASP 27 N 0.35 0.94 -0.24 0.00 3.32 -1.50 -2.69 116.42 116.60 2dly h ASP 27 Ca 0.10 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 2dly h ASP 27 Cb 0.16 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2dly h ASP 27 CO -0.01 1.21 0.04 0.00 -1.72 0.00 0.00 179.24 178.76 2dly h ALA 28 N 0.76 0.31 0.61 3.45 0.00 -0.91 -3.15 119.26 120.33 2dly h ALA 28 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dly h ALA 28 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2dly h ALA 28 CO 0.09 -0.02 -0.50 0.93 0.00 0.00 0.00 179.25 179.75 2dly h GLU 29 N 0.20 -1.04 -0.99 0.00 5.08 -0.66 -2.03 114.58 115.13 2dly h GLU 29 Ca 0.07 0.07 0.40 0.00 -1.00 0.00 0.00 59.36 58.91 2dly h GLU 29 Cb 0.31 0.24 -0.17 0.00 0.50 0.00 0.00 28.75 29.63 2dly h GLU 29 CO 0.00 -0.69 0.55 1.63 -1.00 0.00 0.00 179.01 179.50 2dly n LYS 30 N -5.59 -0.05 -0.02 2.33 5.02 -1.02 0.25 118.16 119.07 2dly n LYS 30 Ca -0.13 1.29 -0.10 0.00 -2.02 0.00 0.00 58.31 57.35 2dly n LYS 30 Cb 0.48 -2.35 0.04 0.00 -0.02 0.00 0.00 35.03 33.18 2dly n LYS 30 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2dly h GLN 31 N 0.00 0.65 0.04 1.97 1.08 -1.35 -2.57 115.11 114.94 2dly h GLN 31 Ca 0.81 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 57.62 2dly h GLN 31 Cb 2.20 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.66 2dly h GLN 31 CO -0.70 1.00 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.09 2dly h LEU 32 N 0.51 -0.05 -2.42 1.46 3.38 0.38 -3.13 115.31 115.44 2dly h LEU 32 Ca 0.02 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2dly h LEU 32 Cb 1.06 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2dly h LEU 32 CO 0.10 0.60 0.05 -0.07 0.09 0.00 0.00 178.44 179.21 2dly h LEU 33 N -0.74 0.00 -7.32 1.67 -0.00 -0.44 -3.44 115.31 105.04 2dly h LEU 33 Ca -0.01 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.40 2dly h LEU 33 Cb 0.63 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 41.46 2dly h LEU 33 CO 0.01 0.00 -1.11 0.00 -0.00 0.00 0.00 178.44 177.34 2dly n TYR 34 N -2.81 -2.91 0.12 1.13 9.36 -0.97 -4.90 117.16 116.17 2dly n TYR 34 Ca -0.02 0.25 -0.09 0.00 3.32 0.00 0.00 57.90 61.36 2dly n TYR 34 Cb 0.10 -1.31 -0.05 0.00 -0.63 0.00 0.00 39.34 37.45 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 -0.24 -0.32 -1.18 2.98 0.87 -1.90 -3.22 113.55 110.54 2dly h SER 35 Ca -0.34 -0.14 0.34 0.00 -1.23 0.00 0.00 61.79 60.42 2dly h SER 35 Cb 1.14 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.12 2dly h SER 35 CO 0.30 0.17 0.83 -0.33 -0.53 0.00 0.00 176.83 177.27 2dly h GLU 36 N -1.02 0.08 -6.62 2.24 4.39 -1.96 -3.39 114.58 108.30 2dly h GLU 36 Ca -0.04 -0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.15 2dly h GLU 36 Cb 0.43 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2dly h GLU 36 CO 0.06 0.05 0.15 -0.80 -1.16 0.00 0.00 179.01 177.32 2dly s ASN 37 N -5.13 7.14 0.39 1.42 0.01 -1.22 -5.08 114.94 112.48 2dly s ASN 37 Ca -0.06 1.51 0.04 0.00 -0.71 0.00 0.00 52.86 53.64 2dly s ASN 37 Cb 0.24 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 2dly s ASN 37 CO 0.81 0.03 0.16 0.00 -1.51 0.00 0.00 177.10 176.59 2dly n GLN 38 N 0.78 0.56 -1.52 -0.60 10.64 -1.26 -4.77 117.38 121.22 2dly n GLN 38 Ca -0.02 -3.40 -0.59 0.00 -1.83 0.00 0.00 57.00 51.16 2dly n GLN 38 Cb 0.51 1.96 -0.09 0.00 -0.86 0.00 0.00 30.24 31.76 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 -0.87 0.12 0.00 -0.39 -1.04 -1.26 -1.70 114.28 109.14 2dly n THR 39 Ca -0.04 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2dly n THR 39 Cb 0.60 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 5.73 1.67 3.69 3.41 0.00 -0.13 -4.88 105.19 114.67 2dly n GLY 40 Ca 0.40 -0.21 -0.54 0.00 0.00 0.00 0.00 46.02 45.66 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 0.10 -2.35 4.61 0.00 -0.69 -3.50 120.51 118.68 2dly n ALA 41 Ca 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.63 2dly n ALA 41 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.06 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 3.30 1.71 -0.29 0.00 -0.71 -1.08 -0.09 117.98 120.82 2dly s PHE 42 Ca 0.95 -0.64 -0.16 0.00 -1.04 0.00 0.00 56.93 56.04 2dly s PHE 42 Cb -0.94 -0.85 0.14 0.00 -1.21 0.00 0.00 43.02 40.16 2dly s PHE 42 CO 0.59 0.29 0.94 -0.48 -1.34 0.00 0.00 175.22 175.22 2dly s LEU 43 N -3.33 -0.56 0.04 -1.99 0.05 -0.16 -0.25 118.68 112.49 2dly s LEU 43 Ca 0.24 0.89 -0.01 0.00 0.05 0.00 0.00 54.13 55.30 2dly s LEU 43 Cb 0.01 1.82 -0.04 0.00 -2.05 0.00 0.00 46.19 45.93 2dly s LEU 43 CO 0.07 -0.14 0.20 -0.63 -0.55 0.00 0.00 176.35 175.31 2dly s ILE 44 N 1.39 5.40 0.08 1.48 1.09 -0.14 -0.44 121.20 130.05 2dly s ILE 44 Ca -0.09 -0.34 -0.04 0.00 -1.10 0.00 0.00 60.65 59.08 2dly s ILE 44 Cb -0.04 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.73 2dly s ILE 44 CO -0.15 0.18 0.07 0.00 -0.10 0.00 0.00 174.94 174.94 2dly s ARG 45 N -2.37 0.76 -0.10 2.79 1.70 -0.35 -2.66 118.95 118.71 2dly s ARG 45 Ca 0.33 -1.16 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 2dly s ARG 45 Cb -0.13 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 2dly s ARG 45 CO 0.26 -0.20 1.03 -1.21 -1.08 0.00 0.00 175.30 174.10 2dly s GLU 46 N -3.92 4.42 -0.55 3.89 2.02 0.10 0.04 118.70 124.69 2dly s GLU 46 Ca 0.09 1.42 -0.28 0.00 0.02 0.00 0.00 54.97 56.22 2dly s GLU 46 Cb 0.07 -3.54 -0.10 0.00 0.10 0.00 0.00 34.13 30.65 2dly s GLU 46 CO -0.08 -0.33 2.43 0.45 0.02 0.00 0.00 175.26 177.75 2dly n SER 47 N 5.02 1.97 0.17 -0.19 2.88 -1.14 -4.26 113.62 118.07 2dly n SER 47 Ca 0.09 -0.19 0.18 0.00 -1.33 0.00 0.00 58.87 57.62 2dly n SER 47 Cb 0.48 -1.41 0.80 0.00 -0.75 0.00 0.00 64.21 63.34 2dly n SER 47 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2dly h GLU 48 N 16.74 0.00 0.15 -1.46 9.09 -1.92 -1.99 114.58 135.19 2dly h GLU 48 Ca -0.22 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.18 2dly h GLU 48 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2dly h GLU 48 CO 1.17 0.00 -0.07 0.77 0.05 0.00 0.00 179.01 180.93 2dly h SER 49 N 0.00 -0.17 -3.24 3.06 0.02 -1.99 -3.44 113.55 107.80 2dly h SER 49 Ca 0.12 -0.36 -0.48 0.00 -0.84 0.00 0.00 61.79 60.23 2dly h SER 49 Cb 0.67 0.04 -0.37 0.00 0.14 0.00 0.00 62.40 62.88 2dly h SER 49 CO -0.00 0.33 -0.78 -1.58 -1.14 0.00 0.00 176.83 173.65 2dly s GLN 50 N -3.93 1.05 0.76 3.45 0.74 -0.75 -5.13 119.66 115.86 2dly s GLN 50 Ca -0.14 -0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.05 2dly s GLN 50 Cb 0.01 -1.25 0.06 0.00 1.10 0.00 0.00 33.01 32.93 2dly s GLN 50 CO 0.55 -0.27 1.23 0.21 -0.55 0.00 0.00 175.29 176.46 2dly s LYS 51 N 1.76 1.88 0.00 1.67 2.47 -1.24 -3.21 119.74 123.07 2dly s LYS 51 Ca 0.04 1.83 0.00 0.00 -1.56 0.00 0.00 55.97 56.27 2dly s LYS 51 Cb -0.13 -1.80 0.00 0.00 -1.46 0.00 0.00 37.83 34.45 2dly s LYS 51 CO -0.06 -2.05 0.00 0.41 0.16 0.00 0.00 175.35 173.81 2dly n GLY 52 N 0.57 2.65 3.80 5.54 0.00 -1.26 -5.01 105.19 111.48 2dly n GLY 52 Ca 0.14 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2dly n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dly s ASP 53 N 0.00 1.91 0.08 1.61 -1.08 -1.20 -4.97 116.67 113.02 2dly s ASP 53 Ca 0.00 0.28 -0.16 0.00 -0.52 0.00 0.00 52.55 52.14 2dly s ASP 53 Cb 0.00 -0.29 0.03 0.00 -1.46 0.00 0.00 42.92 41.20 2dly s ASP 53 CO 0.00 -3.48 0.39 -0.36 0.52 0.00 0.00 175.17 172.24 2dly s PHE 54 N -3.60 -0.21 -0.09 -5.34 0.40 -1.25 -2.91 117.98 104.98 2dly s PHE 54 Ca 0.75 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.13 2dly s PHE 54 Cb -0.04 0.21 0.02 0.00 0.51 0.00 0.00 43.02 43.72 2dly s PHE 54 CO 0.55 -0.61 -0.09 -1.12 0.70 0.00 0.00 175.22 174.65 2dly s SER 55 N -2.34 1.96 -0.24 1.36 0.01 0.11 -2.17 113.70 112.39 2dly s SER 55 Ca -0.02 -0.29 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 2dly s SER 55 Cb 0.00 -0.81 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 2dly s SER 55 CO -0.06 -0.06 0.47 -0.22 0.41 0.00 0.00 173.24 173.77 2dly s LEU 56 N 1.31 4.09 -0.31 2.44 2.96 -0.63 -1.21 118.68 127.32 2dly s LEU 56 Ca -0.03 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2dly s LEU 56 Cb -0.14 -2.60 0.05 0.00 0.50 0.00 0.00 46.19 44.00 2dly s LEU 56 CO -0.04 -0.21 0.02 -0.44 -1.32 0.00 0.00 176.35 174.37 2dly s SER 57 N 1.38 4.96 0.18 3.68 0.01 0.41 -1.13 113.70 123.19 2dly s SER 57 Ca 0.20 -1.29 0.08 0.00 1.31 0.00 0.00 55.95 56.25 2dly s SER 57 Cb -0.15 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2dly s SER 57 CO 0.09 -0.28 -0.06 -0.69 0.41 0.00 0.00 173.24 172.71 2dly s VAL 58 N 1.26 3.36 -0.17 3.43 1.01 -1.16 -0.98 120.40 127.15 2dly s VAL 58 Ca -0.04 -1.59 -0.07 0.00 0.00 0.00 0.00 61.98 60.27 2dly s VAL 58 Cb -0.20 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2dly s VAL 58 CO -0.01 -0.12 0.07 -0.22 0.00 0.00 0.00 175.10 174.83 2dly s LEU 59 N -2.89 3.91 -0.47 3.92 2.96 0.87 -1.25 118.68 125.73 2dly s LEU 59 Ca 0.26 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 2dly s LEU 59 Cb -0.09 -1.98 0.16 0.00 0.50 0.00 0.00 46.19 44.79 2dly s LEU 59 CO 0.16 0.22 0.35 -0.62 -1.32 0.00 0.00 176.35 175.14 2dly s ASP 60 N 0.11 2.48 -0.59 3.68 2.15 0.94 -0.95 116.67 124.49 2dly s ASP 60 Ca 0.06 -3.12 -0.03 0.00 0.43 0.00 0.00 52.55 49.89 2dly s ASP 60 Cb -0.12 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.76 2dly s ASP 60 CO 0.00 -0.17 0.51 -0.62 -0.17 0.00 0.00 175.17 174.72 2dly n GLU 61 N 2.82 -3.41 0.00 4.34 1.02 -1.26 -2.93 120.64 121.22 2dly n GLU 61 Ca 0.24 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2dly n GLU 61 Cb 0.43 -4.00 0.00 0.00 -0.02 0.00 0.00 31.44 27.85 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 -1.15 1.67 3.89 0.62 0.00 -1.26 -5.03 105.19 103.93 2dly n GLY 62 Ca -0.03 0.00 -0.31 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 -2.52 5.09 -0.31 1.61 0.11 -1.15 -4.85 120.40 118.38 2dly s VAL 63 Ca 0.00 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2dly s VAL 63 Cb 0.00 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.25 2dly s VAL 63 CO 0.00 -0.05 0.03 -0.69 -3.33 0.00 0.00 175.10 171.06 2dly s VAL 64 N -1.77 3.23 -0.48 2.04 1.01 -1.26 -0.04 120.40 123.13 2dly s VAL 64 Ca 0.43 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 2dly s VAL 64 Cb -0.12 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.45 2dly s VAL 64 CO 0.25 -0.13 0.72 -0.54 0.00 0.00 0.00 175.10 175.40 2dly s LYS 65 N 1.30 3.26 -0.46 2.72 3.01 -0.38 -4.92 119.74 124.27 2dly s LYS 65 Ca -0.04 -0.46 -0.27 0.00 -1.01 0.00 0.00 55.97 54.20 2dly s LYS 65 Cb -0.20 -4.01 0.03 0.00 -1.01 0.00 0.00 37.83 32.64 2dly s LYS 65 CO 0.00 -1.18 0.99 -1.01 0.51 0.00 0.00 175.35 174.66 2dly s HIS 66 N 3.06 2.90 -0.28 3.18 3.76 -1.26 -3.00 115.29 123.64 2dly s HIS 66 Ca 0.23 0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 55.58 2dly s HIS 66 Cb -0.15 -4.10 -0.00 0.00 1.11 0.00 0.00 32.58 29.44 2dly s HIS 66 CO 0.18 -1.14 0.08 0.71 -0.85 0.00 0.00 174.74 173.71 2dly s TYR 67 N 3.96 3.12 0.12 1.40 2.02 -0.28 -4.98 117.35 122.72 2dly s TYR 67 Ca 0.41 -0.82 -0.31 0.00 -0.37 0.00 0.00 57.07 55.98 2dly s TYR 67 Cb -0.09 -2.25 -0.08 0.00 -0.40 0.00 0.00 41.96 39.14 2dly s TYR 67 CO 0.28 -0.52 1.35 1.03 -1.57 0.00 0.00 175.55 176.12 2dly s ARG 68 N 1.53 4.35 -0.52 -0.62 1.81 -1.26 -1.61 118.95 122.64 2dly s ARG 68 Ca 0.04 2.03 -0.13 0.00 -1.72 0.00 0.00 55.73 55.95 2dly s ARG 68 Cb -0.16 -3.25 0.13 0.00 -0.45 0.00 0.00 34.95 31.21 2dly s ARG 68 CO 0.03 -0.37 0.43 0.42 -0.68 0.00 0.00 175.30 175.13 2dly s ILE 69 N 0.90 4.74 0.41 1.52 1.01 -0.92 -4.74 121.20 124.12 2dly s ILE 69 Ca 0.62 -1.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 2dly s ILE 69 Cb -0.36 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 2dly s ILE 69 CO 0.32 -0.83 0.85 -0.13 0.00 0.00 0.00 174.94 175.15 2dly s ARG 70 N 1.44 3.97 0.14 2.79 0.52 -1.07 -3.95 118.95 122.79 2dly s ARG 70 Ca 0.05 0.77 0.10 0.00 -0.52 0.00 0.00 55.73 56.13 2dly s ARG 70 Cb -0.28 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 2dly s ARG 70 CO 0.01 -0.04 -0.19 1.03 0.02 0.00 0.00 175.30 176.13 2dly s ARG 71 N -3.53 1.73 0.57 3.54 0.52 -1.26 -1.04 118.95 119.47 2dly s ARG 71 Ca 0.56 -1.25 0.09 0.00 -0.52 0.00 0.00 55.73 54.60 2dly s ARG 71 Cb -0.10 -2.06 0.07 0.00 0.52 0.00 0.00 34.95 33.39 2dly s ARG 71 CO 0.24 0.46 0.69 -0.51 0.02 0.00 0.00 175.30 176.20 2dly s LEU 72 N -2.28 2.98 0.00 2.53 2.01 -0.71 -5.00 118.68 118.21 2dly s LEU 72 Ca 0.19 -0.97 0.17 0.00 0.01 0.00 0.00 54.13 53.53 2dly s LEU 72 Cb -0.10 -1.49 0.07 0.00 0.01 0.00 0.00 46.19 44.68 2dly s LEU 72 CO 0.10 -1.29 0.97 0.47 1.01 0.00 0.00 176.35 177.62 2dly n ASP 73 N -2.12 2.08 0.00 2.29 9.92 -1.26 -4.48 116.55 122.98 2dly n ASP 73 Ca 0.11 -1.54 0.00 0.00 -0.53 0.00 0.00 54.79 52.83 2dly n ASP 73 Cb 0.62 0.23 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 2dly n ASP 73 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2dly n GLU 74 N 0.45 2.15 0.00 -1.24 0.28 -1.26 -5.03 120.64 115.99 2dly n GLU 74 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2dly n GLU 74 Cb 0.40 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.39 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 2.13 0.54 0.00 -1.84 0.00 -1.26 -5.15 105.19 99.60 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 4.72 -1.18 3.38 -0.02 0.00 -1.19 -4.88 105.19 106.03 2dly n GLY 76 Ca 0.00 0.61 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 0.43 2.45 -0.19 1.61 0.08 -0.97 -1.74 117.98 119.64 2dly s PHE 77 Ca 0.00 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 2dly s PHE 77 Cb 0.00 -1.50 0.06 0.00 -0.57 0.00 0.00 43.02 41.01 2dly s PHE 77 CO 0.00 0.09 0.47 -0.59 -0.10 0.00 0.00 175.22 175.09 2dly s PHE 78 N -0.73 -0.68 -0.13 0.36 -0.71 -0.21 0.30 117.98 116.18 2dly s PHE 78 Ca 0.11 1.44 0.16 0.00 -1.04 0.00 0.00 56.93 57.61 2dly s PHE 78 Cb -0.10 0.33 -0.08 0.00 -1.21 0.00 0.00 43.02 41.95 2dly s PHE 78 CO 0.01 -0.37 0.99 1.25 -1.34 0.00 0.00 175.22 175.76 2dly h LEU 79 N 6.95 0.00 -7.36 -1.99 5.85 -1.83 -2.82 115.31 114.11 2dly h LEU 79 Ca -0.35 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.16 2dly h LEU 79 Cb 1.19 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.92 2dly h LEU 79 CO 0.26 0.55 -0.52 0.28 -0.34 0.00 0.00 178.44 178.67 2dly s THR 80 N -2.95 -0.06 0.64 1.05 -1.32 -1.25 -4.89 115.64 106.87 2dly s THR 80 Ca -0.01 0.17 0.19 0.00 -1.21 0.00 0.00 61.69 60.82 2dly s THR 80 Cb 0.08 -0.35 0.23 0.00 -1.51 0.00 0.00 72.50 70.95 2dly s THR 80 CO 0.79 0.07 1.48 -0.09 -2.21 0.00 0.00 174.62 174.66 2dly h ARG 81 N 7.28 0.00 -0.63 7.08 9.65 -2.01 0.66 114.38 136.41 2dly h ARG 81 Ca -0.40 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.39 2dly h ARG 81 Cb 1.15 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2dly h ARG 81 CO 0.37 0.00 0.04 0.00 2.80 0.00 0.00 179.97 183.19 2dly h ARG 82 N 0.00 1.08 -4.46 0.20 2.47 -2.00 -3.44 114.38 108.23 2dly h ARG 82 Ca 0.13 -0.32 -0.33 0.00 -1.26 0.00 0.00 59.98 58.21 2dly h ARG 82 Cb 1.65 -0.11 -0.27 0.00 -1.65 0.00 0.00 29.97 29.59 2dly h ARG 82 CO -0.00 1.02 -0.75 0.21 0.56 0.00 0.00 179.97 181.01 2dly s LYS 83 N -5.09 0.51 0.11 0.04 2.36 0.23 -5.16 119.74 112.74 2dly s LYS 83 Ca -0.12 -0.36 0.05 0.00 -2.55 0.00 0.00 55.97 53.00 2dly s LYS 83 Cb 0.14 -0.44 -0.04 0.00 -1.05 0.00 0.00 37.83 36.44 2dly s LYS 83 CO 0.85 0.11 -0.13 0.08 1.55 0.00 0.00 175.35 177.82 2dly s VAL 84 N -0.45 1.20 0.44 4.02 1.01 -1.26 -3.81 120.40 121.55 2dly s VAL 84 Ca -0.01 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.35 2dly s VAL 84 Cb -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2dly s VAL 84 CO -0.00 -0.44 0.11 -0.36 0.00 0.00 0.00 175.10 174.42 2dly s PHE 85 N -2.13 1.78 -0.25 5.22 0.08 0.15 -4.99 117.98 117.84 2dly s PHE 85 Ca 0.07 -1.26 -0.13 0.00 0.12 0.00 0.00 56.93 55.73 2dly s PHE 85 Cb -0.05 -1.23 -0.11 0.00 -0.57 0.00 0.00 43.02 41.06 2dly s PHE 85 CO 0.02 -0.24 -0.32 0.43 -0.10 0.00 0.00 175.22 175.01 2dly n SER 86 N -1.39 1.76 -4.16 1.36 7.64 -1.26 -2.30 113.62 115.26 2dly n SER 86 Ca -0.09 0.31 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 2dly n SER 86 Cb 0.65 -0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.47 0.91 0.61 0.44 -4.23 -1.26 -3.89 115.64 105.75 2dly s THR 87 Ca -0.35 -1.55 0.26 0.00 -1.18 0.00 0.00 61.69 58.87 2dly s THR 87 Cb 0.13 -1.26 0.37 0.00 1.34 0.00 0.00 72.50 73.08 2dly s THR 87 CO 0.44 -0.51 1.41 -0.07 -0.54 0.00 0.00 174.62 175.35 2dly h LEU 88 N 3.72 0.00 0.23 4.79 3.38 -1.96 -0.62 115.31 124.85 2dly h LEU 88 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2dly h LEU 88 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2dly h LEU 88 CO 0.51 0.00 -0.11 -1.13 0.09 0.00 0.00 178.44 177.80 2dly h ASN 89 N 0.00 -0.26 0.05 -0.43 -0.73 -2.00 -2.71 115.58 109.50 2dly h ASN 89 Ca 0.40 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.58 2dly h ASN 89 Cb 2.50 0.07 0.00 0.00 0.27 0.00 0.00 38.32 41.16 2dly h ASN 89 CO -0.00 -0.17 0.00 -0.62 -0.37 0.00 0.00 177.43 176.27 2dly n GLU 90 N -2.91 0.14 -0.04 6.67 1.02 -0.30 -1.20 120.64 124.01 2dly n GLU 90 Ca -0.04 0.62 -0.13 0.00 -0.02 0.00 0.00 57.16 57.59 2dly n GLU 90 Cb 0.12 -1.93 -0.00 0.00 -0.02 0.00 0.00 31.44 29.60 2dly n GLU 90 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2dly h PHE 91 N 0.00 0.94 0.07 -0.32 3.04 -1.15 -3.09 116.94 116.43 2dly h PHE 91 Ca 0.00 -0.34 -0.36 0.00 3.98 0.00 0.00 57.97 61.25 2dly h PHE 91 Cb 0.03 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.33 2dly h PHE 91 CO 0.00 1.13 -2.07 0.28 -2.02 0.00 0.00 178.31 175.64 2dly n VAL 92 N -3.98 1.67 0.03 1.41 0.31 -0.56 -3.83 118.33 113.38 2dly n VAL 92 Ca -0.04 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 2dly n VAL 92 Cb 0.63 -1.47 0.02 0.00 -0.91 0.00 0.00 33.84 32.11 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 -3.32 0.00 -0.01 4.52 5.15 -0.34 -1.60 115.26 119.67 2dly n ASN 93 Ca -0.32 0.49 -0.01 0.00 -0.60 0.00 0.00 54.58 54.14 2dly n ASN 93 Cb 1.04 -0.49 -0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2dly n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dly n TYR 94 N -1.49 0.04 -0.07 1.20 4.19 -1.17 -4.40 117.16 115.46 2dly n TYR 94 Ca 0.00 0.02 0.25 0.00 3.31 0.00 0.00 57.90 61.49 2dly n TYR 94 Cb 0.01 -0.18 0.70 0.00 0.49 0.00 0.00 39.34 40.36 2dly n TYR 94 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2dly h TYR 95 N -0.08 0.00 0.00 2.98 0.05 -1.65 0.18 116.97 118.45 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 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2dly h TYR 95 CO -0.03 0.00 0.35 1.79 -1.05 0.00 0.00 178.16 179.22 2dly h THR 96 N 0.00 0.00 0.10 -2.88 1.35 -1.46 0.64 112.91 110.67 2dly h THR 96 Ca 0.34 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.83 2dly h THR 96 Cb 1.65 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 2dly h THR 96 CO -0.00 0.00 -2.09 0.35 -0.25 0.00 0.00 175.52 173.53 2dly n THR 97 N -2.63 1.72 -3.68 6.82 -2.24 0.64 -4.75 114.28 110.16 2dly n THR 97 Ca -0.02 -0.63 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 2dly n THR 97 Cb 0.39 -1.68 -0.05 0.00 -2.10 0.00 0.00 70.33 66.89 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 -2.55 0.07 -0.49 4.28 -1.32 0.22 -5.05 115.64 110.80 2dly s THR 98 Ca -0.25 -0.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.56 2dly s THR 98 Cb 0.07 -1.28 0.56 0.00 -1.51 0.00 0.00 72.50 70.34 2dly s THR 98 CO 0.73 -0.31 1.85 -1.54 -2.21 0.00 0.00 174.62 173.14 2dly n SER 99 N -0.23 4.97 -3.85 8.08 3.41 -1.26 -4.33 113.62 120.41 2dly n SER 99 Ca -0.15 -3.71 -0.25 0.00 -0.26 0.00 0.00 58.87 54.51 2dly n SER 99 Cb 0.63 -0.83 -0.17 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.04 -0.73 0.00 4.04 9.92 -1.26 0.18 116.55 127.65 2dly n ASP 100 Ca 0.56 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 2dly n ASP 100 Cb 1.20 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 2dly n ASP 100 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dly n GLY 101 N 5.01 2.80 3.76 0.44 0.00 -1.26 -5.03 105.19 110.92 2dly n GLY 101 Ca 0.58 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 3.96 0.30 0.99 1.43 0.46 -4.91 118.68 120.91 2dly s LEU 102 Ca 0.00 2.49 0.02 0.00 -1.03 0.00 0.00 54.13 55.62 2dly s LEU 102 Cb 0.00 -4.24 0.59 0.00 0.03 0.00 0.00 46.19 42.57 2dly s LEU 102 CO 0.00 -1.16 1.88 0.00 0.23 0.00 0.00 176.35 177.30 2dly s VAL 104 N -5.88 0.20 -0.11 0.00 0.11 -1.26 -5.07 120.40 108.38 2dly s VAL 104 Ca -0.11 -1.61 -0.18 0.00 -2.93 0.00 0.00 61.98 57.15 2dly s VAL 104 Cb 0.21 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2dly s VAL 104 CO 0.80 -0.89 0.47 -0.75 -3.33 0.00 0.00 175.10 171.41 2dly s LYS 105 N -3.61 4.32 -0.10 1.54 2.20 -1.26 -4.66 119.74 118.17 2dly s LYS 105 Ca 0.04 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 2dly s LYS 105 Cb 0.05 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.87 2dly s LYS 105 CO -0.09 0.19 2.08 1.28 -0.36 0.00 0.00 175.35 178.44 2dly n LEU 106 N 3.57 3.60 -0.06 5.43 4.77 -1.25 -4.77 117.00 128.29 2dly n LEU 106 Ca -0.07 0.60 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2dly n LEU 106 Cb 0.52 -1.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 2dly n LEU 106 CO 0.43 -0.24 -0.34 -0.62 -1.33 0.00 0.00 177.39 175.29 2dly n GLU 107 N 7.96 0.35 -3.92 3.23 1.02 -1.23 -4.16 120.64 123.89 2dly n GLU 107 Ca 0.26 0.35 -0.10 0.00 -0.02 0.00 0.00 57.16 57.65 2dly n GLU 107 Cb 0.40 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 2dly n GLU 107 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dly s LYS 108 N -2.07 0.51 0.38 3.49 -0.14 -1.26 -5.06 119.74 115.60 2dly s LYS 108 Ca -0.14 -0.61 -0.26 0.00 -1.36 0.00 0.00 55.97 53.59 2dly s LYS 108 Cb 0.02 0.20 -0.09 0.00 -1.68 0.00 0.00 37.83 36.29 2dly s LYS 108 CO 0.21 -0.12 1.20 -1.25 -0.76 0.00 0.00 175.35 174.63 2dly s PRO 109 N -2.03 4.14 1.09 -1.68 0.04 -1.26 -2.62 135.00 132.68 2dly s PRO 109 Ca -0.10 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 2dly s PRO 109 Cb -0.05 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.74 2dly s PRO 109 CO -0.02 -0.27 -0.34 0.00 0.04 0.00 0.00 177.00 176.41 2dly s LEU 111 N 0.97 2.69 -0.10 0.00 0.05 -1.26 -4.68 118.68 116.35 2dly s LEU 111 Ca 0.50 -0.71 -0.19 0.00 0.05 0.00 0.00 54.13 53.78 2dly s LEU 111 Cb -0.06 -1.42 -0.04 0.00 -2.05 0.00 0.00 46.19 42.62 2dly s LEU 111 CO 0.63 0.12 0.52 -0.54 -0.55 0.00 0.00 176.35 176.54 2dly s LYS 112 N -2.66 4.35 0.85 1.48 3.01 -1.26 -4.90 119.74 120.61 2dly s LYS 112 Ca 0.22 0.54 -0.12 0.00 -1.01 0.00 0.00 55.97 55.60 2dly s LYS 112 Cb -0.09 -3.43 0.10 0.00 -1.01 0.00 0.00 37.83 33.40 2dly s LYS 112 CO 0.12 0.16 1.14 -0.89 0.51 0.00 0.00 175.35 176.39 2dly n ILE 113 N 3.63 1.26 -4.01 2.17 2.08 -1.26 -5.00 119.36 118.23 2dly n ILE 113 Ca -0.06 -0.14 -0.32 0.00 0.56 0.00 0.00 62.75 62.79 2dly n ILE 113 Cb 0.52 -1.10 -0.15 0.00 -0.75 0.00 0.00 39.64 38.16 2dly n ILE 113 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dly s GLN 114 N -4.25 1.93 0.01 0.38 -0.21 -1.26 -5.00 119.66 111.26 2dly s GLN 114 Ca 0.70 -1.60 -0.25 0.00 0.02 0.00 0.00 55.36 54.24 2dly s GLN 114 Cb -0.27 -3.11 -0.15 0.00 1.00 0.00 0.00 33.01 30.48 2dly s GLN 114 CO 0.54 -0.77 1.13 0.28 -2.12 0.00 0.00 175.29 174.35 2dly h VAL 115 N 6.64 0.37 -3.05 1.09 2.07 -1.98 -3.45 116.25 117.93 2dly h VAL 115 Ca -0.13 -0.49 -0.53 0.00 0.82 0.00 0.00 66.70 66.37 2dly h VAL 115 Cb 1.03 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2dly h VAL 115 CO 0.51 0.06 -0.24 -0.94 0.02 0.00 0.00 177.57 176.98 2dly s SER 116 N -4.83 6.43 0.58 0.57 1.04 -1.26 -4.94 113.70 111.29 2dly s SER 116 Ca -0.14 0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2dly s SER 116 Cb 0.02 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2dly s SER 116 CO 0.47 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2dly n GLY 117 N -0.67 -4.62 0.07 7.32 0.00 -1.26 -4.82 105.19 101.20 2dly n GLY 117 Ca -0.03 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2dly n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dly h PRO 118 N 1.46 -0.05 -2.23 1.61 0.13 -1.92 -3.47 132.00 127.53 2dly h PRO 118 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.40 2dly h PRO 118 Cb 0.21 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.29 2dly h PRO 118 CO 0.00 0.42 0.75 0.45 -0.23 0.00 0.00 178.00 179.39 2dly s SER 119 N -5.62 -0.01 -0.06 1.44 0.15 -1.26 -5.00 113.70 103.33 2dly s SER 119 Ca -0.16 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 55.92 2dly s SER 119 Cb 0.02 0.30 -0.14 0.00 -1.71 0.00 0.00 66.02 64.49 2dly s SER 119 CO 0.65 -0.60 0.71 0.77 1.20 0.00 0.00 173.24 175.97 2dly h SER 120 N 2.00 -0.18 0.00 5.45 4.64 -1.99 -3.55 113.55 119.92 2dly h SER 120 Ca -0.25 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2dly h SER 120 Cb 1.20 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2dly h SER 120 CO 0.33 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.29