#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug s SER 2 N 0.00 4.95 0.07 1.61 0.15 -1.26 -5.03 113.70 114.20 2cug s SER 2 Ca 0.00 -0.08 -0.13 0.00 0.70 0.00 0.00 55.95 56.44 2cug s SER 2 Cb 0.00 -0.63 -0.24 0.00 -1.71 0.00 0.00 66.02 63.45 2cug s SER 2 CO 0.00 -1.40 1.18 0.77 1.20 0.00 0.00 173.24 174.98 2cug h SER 3 N -0.17 0.86 -2.89 5.45 4.64 -2.13 -3.48 113.55 115.84 2cug h SER 3 Ca -0.40 -0.72 0.19 0.00 -0.47 0.00 0.00 61.79 60.38 2cug h SER 3 Cb 1.29 -0.27 -0.29 0.00 -0.31 0.00 0.00 62.40 62.83 2cug h SER 3 CO 0.49 1.53 0.84 -0.83 -0.87 0.00 0.00 176.83 177.98 2cug s GLY 4 N -4.36 0.12 0.72 -0.77 0.00 -1.26 -5.16 107.32 96.62 2cug s GLY 4 Ca -0.09 2.98 -0.16 0.00 0.00 0.00 0.00 44.72 47.45 2cug s GLY 4 CO 0.92 1.47 0.88 -1.14 0.00 0.00 0.00 173.10 175.23 2cug n SER 5 N 1.08 0.15 -3.73 1.64 3.41 -1.26 -5.02 113.62 109.88 2cug n SER 5 Ca -0.06 0.66 -0.17 0.00 -0.26 0.00 0.00 58.87 59.04 2cug n SER 5 Cb 0.58 -1.37 -0.17 0.00 -0.26 0.00 0.00 64.21 62.99 2cug n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cug s SER 6 N -1.60 0.44 -0.94 4.04 0.01 -1.26 -4.92 113.70 109.48 2cug s SER 6 Ca 0.72 0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.99 2cug s SER 6 Cb -0.35 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.74 2cug s SER 6 CO 0.52 -0.17 0.83 0.61 0.41 0.00 0.00 173.24 175.43 2cug n GLY 7 N 4.59 -1.02 3.91 3.44 0.00 -1.26 -5.01 105.19 109.83 2cug n GLY 7 Ca -0.19 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 2cug n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cug s ILE 8 N -3.33 5.23 0.16 -0.61 -4.36 -1.26 -5.11 121.20 111.92 2cug s ILE 8 Ca 0.39 -0.16 0.06 0.00 -0.26 0.00 0.00 60.65 60.67 2cug s ILE 8 Cb -0.05 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 2cug s ILE 8 CO 0.68 0.01 0.04 -0.76 0.24 0.00 0.00 174.94 175.15 2cug s LEU 9 N -2.78 3.47 -0.20 0.37 1.02 -1.26 -5.12 118.68 114.19 2cug s LEU 9 Ca 0.39 -0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.23 2cug s LEU 9 Cb -0.12 -2.12 0.05 0.00 0.02 0.00 0.00 46.19 44.03 2cug s LEU 9 CO 0.26 0.09 -0.02 -1.10 0.02 0.00 0.00 176.35 175.61 2cug s GLN 10 N -2.91 1.19 -0.16 1.70 -1.52 -1.26 -5.11 119.66 111.58 2cug s GLN 10 Ca 0.28 -0.64 0.02 0.00 -1.95 0.00 0.00 55.36 53.07 2cug s GLN 10 Cb -0.10 -2.23 0.01 0.00 -0.22 0.00 0.00 33.01 30.47 2cug s GLN 10 CO 0.20 -0.57 -0.21 -1.12 -0.25 0.00 0.00 175.29 173.34 2cug s SER 11 N 1.64 3.14 0.10 5.90 0.01 -1.26 -5.11 113.70 118.13 2cug s SER 11 Ca -0.02 -0.62 -0.25 0.00 1.31 0.00 0.00 55.95 56.36 2cug s SER 11 Cb -0.17 -1.47 0.07 0.00 0.21 0.00 0.00 66.02 64.66 2cug s SER 11 CO -0.07 0.04 0.63 -1.48 0.41 0.00 0.00 173.24 172.77 2cug s LEU 12 N 1.06 -0.58 0.95 2.44 2.34 -1.26 -5.17 118.68 118.45 2cug s LEU 12 Ca -0.01 0.16 -0.12 0.00 0.06 0.00 0.00 54.13 54.22 2cug s LEU 12 Cb -0.14 2.56 0.16 0.00 -0.56 0.00 0.00 46.19 48.20 2cug s LEU 12 CO -0.07 -0.87 1.12 -0.44 -1.06 0.00 0.00 176.35 175.02 2cug s SER 13 N -2.38 3.14 -0.15 1.48 0.01 -1.26 -5.06 113.70 109.47 2cug s SER 13 Ca -0.02 1.05 0.01 0.00 1.31 0.00 0.00 55.95 58.30 2cug s SER 13 Cb -0.01 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2cug s SER 13 CO -0.08 -2.79 -0.18 0.00 0.41 0.00 0.00 173.24 170.60 2cug s ALA 14 N -3.15 2.40 0.22 1.44 0.00 -1.26 -4.93 121.76 116.48 2cug s ALA 14 Ca 0.64 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 2cug s ALA 14 Cb -0.16 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.86 2cug s ALA 14 CO 0.55 -0.08 0.88 -0.48 0.00 0.00 0.00 175.76 176.63 2cug s LEU 15 N 0.89 -0.15 0.19 0.00 2.34 -1.26 -4.63 118.68 116.06 2cug s LEU 15 Ca -0.04 -0.60 -0.18 0.00 0.06 0.00 0.00 54.13 53.37 2cug s LEU 15 Cb -0.15 2.40 0.16 0.00 -0.56 0.00 0.00 46.19 48.04 2cug s LEU 15 CO -0.02 -1.15 1.36 -0.67 -1.06 0.00 0.00 176.35 174.81 2cug n ASP 16 N -0.69 -0.64 -3.64 1.48 2.03 -1.26 -4.61 116.55 109.22 2cug n ASP 16 Ca -0.05 1.53 -0.15 0.00 0.52 0.00 0.00 54.79 56.64 2cug n ASP 16 Cb 0.60 -0.32 -0.08 0.00 -0.72 0.00 0.00 41.12 40.60 2cug n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2cug s PHE 17 N -5.75 -0.61 0.03 -0.67 -0.12 -1.26 -5.16 117.98 104.44 2cug s PHE 17 Ca -0.12 1.35 -0.10 0.00 -0.05 0.00 0.00 56.93 58.01 2cug s PHE 17 Cb 0.16 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2cug s PHE 17 CO 0.61 -0.41 0.36 -0.51 -0.05 0.00 0.00 175.22 175.22 2cug s ASP 18 N -0.28 6.64 0.01 1.98 1.11 -1.26 -5.02 116.67 119.84 2cug s ASP 18 Ca -0.05 0.78 -0.23 0.00 0.18 0.00 0.00 52.55 53.23 2cug s ASP 18 Cb -0.03 -2.17 -0.18 0.00 1.07 0.00 0.00 42.92 41.61 2cug s ASP 18 CO 0.04 0.24 1.30 1.55 1.18 0.00 0.00 175.17 179.48 2cug h PRO 19 N 4.10 0.16 -0.74 8.23 0.13 -1.96 -2.26 132.00 139.66 2cug h PRO 19 Ca -0.50 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 2cug h PRO 19 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2cug h PRO 19 CO 0.64 0.60 0.37 1.88 -0.23 0.00 0.00 178.00 181.26 2cug h TYR 20 N -0.27 1.05 -0.73 1.56 -1.99 -1.89 -1.29 116.97 113.41 2cug h TYR 20 Ca 0.01 -0.05 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 2cug h TYR 20 Cb 0.57 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 2cug h TYR 20 CO 0.09 0.77 0.24 0.00 -0.00 0.00 0.00 178.16 179.26 2cug h ARG 21 N 1.03 1.12 0.23 4.88 2.47 -1.80 0.21 114.38 122.53 2cug h ARG 21 Ca 0.25 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2cug h ARG 21 Cb 0.10 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2cug h ARG 21 CO -0.03 0.95 -0.11 0.28 0.56 0.00 0.00 179.97 181.61 2cug h VAL 22 N 1.07 0.83 0.00 2.04 2.07 -1.05 -2.79 116.25 118.43 2cug h VAL 22 Ca 0.24 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2cug h VAL 22 Cb 0.29 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2cug h VAL 22 CO -0.01 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.62 2cug h LEU 23 N -0.57 0.00 -1.34 2.57 3.38 -1.20 -3.47 115.31 114.69 2cug h LEU 23 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2cug h LEU 23 Cb 0.42 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.23 2cug h LEU 23 CO 0.05 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.87 2cug n GLY 24 N -0.03 0.19 3.61 0.83 0.00 0.55 -4.89 105.19 105.46 2cug n GLY 24 Ca 0.02 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2cug n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cug s VAL 25 N -3.15 2.10 0.52 1.61 -7.23 -0.01 -5.02 120.40 109.21 2cug s VAL 25 Ca 0.15 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2cug s VAL 25 Cb -0.06 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.96 2cug s VAL 25 CO 0.33 -0.05 0.12 -0.44 -0.31 0.00 0.00 175.10 174.75 2cug s SER 26 N -3.70 4.28 0.62 4.85 0.01 -1.26 -4.56 113.70 113.94 2cug s SER 26 Ca 0.35 -1.52 0.40 0.00 1.31 0.00 0.00 55.95 56.49 2cug s SER 26 Cb 0.08 0.45 2.06 0.00 0.21 0.00 0.00 66.02 68.82 2cug s SER 26 CO 0.18 -0.91 2.25 0.08 0.41 0.00 0.00 173.24 175.25 2cug h ARG 27 N 1.19 0.00 0.00 12.44 -0.00 -2.01 -0.77 114.38 125.23 2cug h ARG 27 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 2cug h ARG 27 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.28 2cug h ARG 27 CO 0.69 0.01 0.00 1.79 -0.00 0.00 0.00 179.97 182.46 2cug h THR 28 N 0.00 0.00 -3.31 0.08 1.35 -2.05 -3.43 112.91 105.54 2cug h THR 28 Ca -0.00 -0.48 -0.56 0.00 -0.55 0.00 0.00 66.41 64.82 2cug h THR 28 Cb 0.17 1.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 2cug h THR 28 CO 0.00 0.00 0.46 0.00 -0.25 0.00 0.00 175.52 175.73 2cug s ALA 29 N -3.31 3.34 0.35 6.62 0.00 -0.30 -5.04 121.76 123.43 2cug s ALA 29 Ca 0.06 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.46 2cug s ALA 29 Cb 0.09 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2cug s ALA 29 CO 0.53 -0.47 0.38 -1.54 0.00 0.00 0.00 175.76 174.65 2cug s SER 30 N 1.06 5.49 0.40 0.00 1.04 -1.26 -4.79 113.70 115.64 2cug s SER 30 Ca 0.47 -0.43 0.32 0.00 0.48 0.00 0.00 55.95 56.79 2cug s SER 30 Cb -0.19 -0.98 1.33 0.00 0.10 0.00 0.00 66.02 66.29 2cug s SER 30 CO 0.20 -0.44 1.34 1.67 0.98 0.00 0.00 173.24 176.99 2cug n GLN 31 N -1.51 -0.02 0.25 4.02 -0.06 -1.26 0.40 117.38 119.20 2cug n GLN 31 Ca 0.00 1.04 -0.12 0.00 -2.00 0.00 0.00 57.00 55.92 2cug n GLN 31 Cb 0.59 -2.13 -0.06 0.00 -4.06 0.00 0.00 30.24 24.58 2cug n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2cug h ALA 32 N 1.24 -0.69 -0.92 1.69 0.00 -2.00 -2.38 119.26 116.20 2cug h ALA 32 Ca 0.77 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.51 2cug h ALA 32 Cb 2.64 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.65 2cug h ALA 32 CO -0.30 -0.68 0.61 -0.44 0.00 0.00 0.00 179.25 178.43 2cug h ASP 33 N -1.10 1.05 -0.31 0.00 3.32 -0.42 -2.61 116.42 116.35 2cug h ASP 33 Ca -0.07 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.00 2cug h ASP 33 Cb 0.59 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2cug h ASP 33 CO 0.12 0.76 0.05 0.40 -1.72 0.00 0.00 179.24 178.84 2cug h ILE 34 N 1.24 0.83 -0.67 0.35 2.04 -0.68 0.76 117.51 121.38 2cug h ILE 34 Ca 0.34 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.20 2cug h ILE 34 Cb -0.13 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2cug h ILE 34 CO -0.08 0.03 0.39 0.50 0.00 0.00 0.00 178.15 178.98 2cug h LYS 35 N 0.15 0.71 -0.11 2.37 3.64 -1.07 -0.72 116.57 121.53 2cug h LYS 35 Ca 0.15 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2cug h LYS 35 Cb 0.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2cug h LYS 35 CO -0.20 0.47 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.93 2cug h LYS 36 N 0.73 0.21 -0.28 1.90 3.64 -1.05 -2.88 116.57 118.84 2cug h LYS 36 Ca 0.29 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2cug h LYS 36 Cb 0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2cug h LYS 36 CO -0.15 0.49 -0.19 0.00 -2.27 0.00 0.00 179.45 177.33 2cug h ALA 37 N 1.51 0.40 0.62 5.00 0.00 0.23 -3.17 119.26 123.85 2cug h ALA 37 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2cug h ALA 37 Cb 0.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2cug h ALA 37 CO 0.05 0.33 -0.38 -0.92 0.00 0.00 0.00 179.25 178.32 2cug h TYR 38 N 0.36 -1.03 -0.25 0.00 3.20 -1.02 -2.51 116.97 115.71 2cug h TYR 38 Ca 0.06 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2cug h TYR 38 Cb 0.73 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 2cug h TYR 38 CO 0.07 -0.57 -0.15 1.63 -1.64 0.00 0.00 178.16 177.49 2cug n LYS 39 N -4.82 -0.11 -0.33 1.82 4.01 -1.10 0.04 118.16 117.67 2cug n LYS 39 Ca -0.12 1.03 -0.08 0.00 -0.51 0.00 0.00 58.31 58.63 2cug n LYS 39 Cb 0.39 -1.54 -0.05 0.00 -0.51 0.00 0.00 35.03 33.32 2cug n LYS 39 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2cug h LYS 40 N 0.00 -0.09 -0.89 1.97 1.57 -1.57 0.79 116.57 118.35 2cug h LYS 40 Ca 0.04 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.97 2cug h LYS 40 Cb 0.10 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 2cug h LYS 40 CO -0.24 -0.06 0.57 -0.07 -0.57 0.00 0.00 179.45 179.08 2cug h LEU 41 N -0.09 0.67 -0.56 2.94 3.38 -0.53 0.26 115.31 121.37 2cug h LEU 41 Ca 0.20 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 2cug h LEU 41 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2cug h LEU 41 CO -0.86 0.34 -0.54 0.00 0.09 0.00 0.00 178.44 177.47 2cug h ALA 42 N 1.60 0.74 -0.12 1.53 0.00 0.42 0.16 119.26 123.59 2cug h ALA 42 Ca 0.44 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2cug h ALA 42 Cb 0.69 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2cug h ALA 42 CO -0.20 0.69 -0.61 0.00 0.00 0.00 0.00 179.25 179.13 2cug h ARG 43 N 0.39 0.63 0.12 0.00 3.08 0.18 -1.08 114.38 117.68 2cug h ARG 43 Ca 0.01 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2cug h ARG 43 Cb 1.07 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2cug h ARG 43 CO 0.10 1.13 -0.06 0.93 -1.07 0.00 0.00 179.97 181.00 2cug h GLU 44 N 0.28 -0.15 -0.57 0.04 5.08 -0.58 -3.19 114.58 115.49 2cug h GLU 44 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2cug h GLU 44 Cb 1.25 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2cug h GLU 44 CO 0.13 0.34 0.00 0.91 -1.00 0.00 0.00 179.01 179.38 2cug n TRP 45 N -4.87 0.12 -1.80 4.33 7.02 0.55 -4.81 117.44 117.99 2cug n TRP 45 Ca -0.08 -0.04 -0.41 0.00 -1.02 0.00 0.00 57.50 55.94 2cug n TRP 45 Cb 0.28 -0.07 -0.02 0.00 -2.42 0.00 0.00 31.31 29.08 2cug n TRP 45 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2cug s HIS 46 N -1.48 2.79 0.27 -5.99 2.46 -0.41 -4.48 115.29 108.45 2cug s HIS 46 Ca 0.04 0.79 0.05 0.00 0.47 0.00 0.00 55.06 56.40 2cug s HIS 46 Cb 0.02 -4.05 0.37 0.00 -0.13 0.00 0.00 32.58 28.80 2cug s HIS 46 CO 0.02 -3.53 1.65 -1.00 -2.47 0.00 0.00 174.74 169.41 2cug h PRO 47 N 4.96 0.28 -0.51 2.88 0.13 -1.85 -0.07 132.00 137.83 2cug h PRO 47 Ca -0.47 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2cug h PRO 47 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2cug h PRO 47 CO 0.80 0.69 0.34 -0.44 -0.23 0.00 0.00 178.00 179.15 2cug h ASP 48 N 0.23 0.46 0.22 1.44 5.19 -1.96 -2.61 116.42 119.39 2cug h ASP 48 Ca 0.02 -0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.09 2cug h ASP 48 Cb 0.89 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.24 2cug h ASP 48 CO 0.07 0.31 -2.09 0.29 -3.12 0.00 0.00 179.24 174.70 2cug n LYS 49 N -4.47 0.66 -2.65 3.56 4.76 -1.14 -4.87 118.16 114.01 2cug n LYS 49 Ca 0.06 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 2cug n LYS 49 Cb 0.18 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 31.71 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2cug s ASN 50 N -5.76 7.07 -0.08 4.39 0.01 -0.05 -4.89 114.94 115.63 2cug s ASN 50 Ca -0.08 1.34 0.19 0.00 -0.71 0.00 0.00 52.86 53.61 2cug s ASN 50 Cb 0.07 -2.54 -0.26 0.00 0.41 0.00 0.00 41.25 38.93 2cug s ASN 50 CO 0.83 -0.70 0.39 0.29 -1.51 0.00 0.00 177.10 176.40 2cug n LYS 51 N 6.40 0.66 -1.97 -0.60 4.76 -1.26 -4.75 118.16 121.40 2cug n LYS 51 Ca 0.12 -0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 55.12 2cug n LYS 51 Cb 0.46 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.07 2cug n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cug s ASP 52 N -5.17 6.33 -0.18 4.39 1.11 -1.26 -4.93 116.67 116.96 2cug s ASP 52 Ca -0.08 2.78 -0.29 0.00 0.18 0.00 0.00 52.55 55.14 2cug s ASP 52 Cb 0.10 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 2cug s ASP 52 CO 0.86 -0.85 1.58 -2.16 1.18 0.00 0.00 175.17 175.78 2cug s PRO 53 N -2.17 3.92 0.00 8.23 0.04 -1.26 -3.27 135.00 140.49 2cug s PRO 53 Ca 0.55 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2cug s PRO 53 Cb -0.41 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2cug s PRO 53 CO 0.54 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2cug n GLY 54 N 4.43 3.86 0.30 0.56 0.00 -1.26 -4.96 105.19 108.11 2cug n GLY 54 Ca 0.18 -0.95 0.28 0.00 0.00 0.00 0.00 46.02 45.53 2cug n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cug n ALA 55 N 0.00 0.93 -0.12 4.61 0.00 -1.20 0.19 120.51 124.92 2cug n ALA 55 Ca 0.00 0.85 -0.09 0.00 0.00 0.00 0.00 53.44 54.19 2cug n ALA 55 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2cug n ALA 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cug h GLU 56 N 0.00 0.51 -0.47 0.00 4.22 -1.85 -1.25 114.58 115.74 2cug h GLU 56 Ca 0.73 -0.07 0.09 0.00 0.08 0.00 0.00 59.36 60.19 2cug h GLU 56 Cb 2.00 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 31.06 2cug h GLU 56 CO -0.61 0.45 -0.28 0.22 -2.18 0.00 0.00 179.01 176.61 2cug h ASP 57 N 0.44 -0.94 -0.18 1.04 3.58 0.16 -1.49 116.42 119.03 2cug h ASP 57 Ca 0.12 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 2cug h ASP 57 Cb 0.10 0.47 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2cug h ASP 57 CO -0.02 -0.29 0.04 -0.09 -2.88 0.00 0.00 179.24 176.00 2cug h ARG 58 N -0.18 0.30 -1.17 0.28 9.65 -1.42 -2.79 114.38 119.05 2cug h ARG 58 Ca 0.21 -0.08 0.34 0.00 -1.10 0.00 0.00 59.98 59.36 2cug h ARG 58 Cb 0.51 -0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 28.95 2cug h ARG 58 CO -0.57 0.45 0.76 0.35 2.80 0.00 0.00 179.97 183.76 2cug h PHE 59 N 0.09 0.56 -0.10 2.20 3.57 -0.32 0.26 116.94 123.19 2cug h PHE 59 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2cug h PHE 59 Cb 0.29 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2cug h PHE 59 CO 0.01 -0.06 -0.11 0.82 -2.23 0.00 0.00 178.31 176.75 2cug h ILE 60 N 0.24 1.36 -0.86 1.41 2.04 -1.04 -2.88 117.51 117.78 2cug h ILE 60 Ca 0.69 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 65.31 2cug h ILE 60 Cb 2.02 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 40.03 2cug h ILE 60 CO -0.33 0.36 0.57 1.56 0.00 0.00 0.00 178.15 180.31 2cug h GLN 61 N -0.16 1.04 -0.24 2.37 4.20 -0.46 0.44 115.11 122.31 2cug h GLN 61 Ca 0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2cug h GLN 61 Cb 0.63 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2cug h GLN 61 CO 0.03 0.69 0.14 0.82 -0.67 0.00 0.00 178.83 179.84 2cug h ILE 62 N 1.08 1.10 -0.34 2.54 2.04 -1.12 -0.03 117.51 122.78 2cug h ILE 62 Ca 0.34 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 2cug h ILE 62 Cb 0.02 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2cug h ILE 62 CO -0.10 0.09 -0.15 -1.28 0.00 0.00 0.00 178.15 176.71 2cug h SER 63 N 0.29 0.71 -0.70 1.72 0.87 -1.22 -2.66 113.55 112.55 2cug h SER 63 Ca 0.08 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2cug h SER 63 Cb 0.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2cug h SER 63 CO -0.02 0.95 0.45 0.11 -0.53 0.00 0.00 176.83 177.79 2cug h LYS 64 N 0.47 0.94 0.61 2.24 1.79 -0.78 -0.40 116.57 121.44 2cug h LYS 64 Ca 0.08 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2cug h LYS 64 Cb 0.68 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2cug h LYS 64 CO 0.05 0.64 -0.29 0.00 -1.08 0.00 0.00 179.45 178.76 2cug h ALA 65 N 1.53 -0.82 -0.73 3.86 0.00 -0.87 -3.19 119.26 119.04 2cug h ALA 65 Ca 0.26 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2cug h ALA 65 Cb -0.08 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2cug h ALA 65 CO -0.05 -0.85 0.42 -0.92 0.00 0.00 0.00 179.25 177.84 2cug h TYR 66 N -1.05 0.77 -0.92 0.00 3.20 -1.35 -2.59 116.97 115.03 2cug h TYR 66 Ca -0.08 0.03 0.17 0.00 3.14 0.00 0.00 58.73 61.99 2cug h TYR 66 Cb 0.68 -0.24 -0.17 0.00 1.54 0.00 0.00 36.73 38.55 2cug h TYR 66 CO 0.00 0.37 -0.26 0.39 -1.64 0.00 0.00 178.16 177.01 2cug n GLU 67 N -4.75 -0.12 -0.07 1.82 -0.58 -0.17 0.99 120.64 117.76 2cug n GLU 67 Ca 0.10 1.43 -0.07 0.00 -0.42 0.00 0.00 57.16 58.20 2cug n GLU 67 Cb 0.19 -2.13 -0.01 0.00 -0.57 0.00 0.00 31.44 28.91 2cug n GLU 67 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2cug h ILE 68 N 0.00 0.59 0.21 -3.67 2.04 -1.50 -1.08 117.51 114.10 2cug h ILE 68 Ca 0.41 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.26 2cug h ILE 68 Cb 0.64 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2cug h ILE 68 CO -0.94 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.04 2cug h LEU 69 N -0.09 -0.24 -0.72 1.44 3.38 -0.08 0.17 115.31 119.18 2cug h LEU 69 Ca 0.15 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.25 2cug h LEU 69 Cb 0.31 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 2cug h LEU 69 CO -0.34 0.01 -0.24 -0.24 0.09 0.00 0.00 178.44 177.73 2cug n SER 70 N -3.75 -0.38 -4.59 -0.43 2.88 0.28 -3.75 113.62 103.88 2cug n SER 70 Ca -0.03 1.24 -0.42 0.00 -1.33 0.00 0.00 58.87 58.33 2cug n SER 70 Cb 0.11 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 2cug n SER 70 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2cug s ASN 71 N -5.23 5.86 0.15 -3.46 0.01 -0.41 -4.89 114.94 106.96 2cug s ASN 71 Ca -0.10 0.87 -0.29 0.00 -0.71 0.00 0.00 52.86 52.63 2cug s ASN 71 Cb 0.17 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 2cug s ASN 71 CO 0.53 -1.81 1.50 -0.08 -1.51 0.00 0.00 177.10 175.73 2cug h GLU 72 N 12.75 -0.01 -0.17 -0.60 4.81 -1.84 0.90 114.58 130.42 2cug h GLU 72 Ca -0.30 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2cug h GLU 72 Cb 1.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2cug h GLU 72 CO 1.10 -0.01 -0.25 0.93 -0.73 0.00 0.00 179.01 180.05 2cug h GLU 73 N -0.01 -0.19 -0.79 1.92 5.08 -1.90 0.21 114.58 118.91 2cug h GLU 73 Ca 0.15 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 2cug h GLU 73 Cb 0.39 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.53 2cug h GLU 73 CO -0.87 -0.13 -0.16 0.87 -1.00 0.00 0.00 179.01 177.72 2cug h LYS 74 N -0.20 0.01 0.59 2.33 1.57 -1.49 0.25 116.57 119.63 2cug h LYS 74 Ca 0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2cug h LYS 74 Cb 0.28 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2cug h LYS 74 CO -0.26 0.01 -0.41 -0.09 -0.57 0.00 0.00 179.45 178.13 2cug h ARG 75 N 0.01 -0.91 -1.00 3.15 2.43 0.18 -2.29 114.38 115.96 2cug h ARG 75 Ca 0.39 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.83 2cug h ARG 75 Cb 0.62 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.26 2cug h ARG 75 CO -0.80 -0.61 0.60 1.15 -1.51 0.00 0.00 179.97 178.81 2cug h THR 76 N -0.95 0.65 -0.26 0.20 2.02 0.29 -0.75 112.91 114.12 2cug h THR 76 Ca -0.08 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.91 2cug h THR 76 Cb 0.77 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 2cug h THR 76 CO 0.05 0.13 -0.05 0.78 0.37 0.00 0.00 175.52 176.79 2cug h ASN 77 N 0.70 -0.21 0.46 4.18 2.35 -0.19 -0.25 115.58 122.62 2cug h ASN 77 Ca 0.60 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.41 2cug h ASN 77 Cb 1.00 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 2cug h ASN 77 CO -0.41 -0.07 -0.46 0.22 -1.65 0.00 0.00 177.43 175.06 2cug h TYR 78 N 0.01 -1.27 -0.45 1.19 5.03 -0.58 -1.93 116.97 118.98 2cug h TYR 78 Ca 0.12 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.53 2cug h TYR 78 Cb 0.18 0.49 -0.09 0.00 1.55 0.00 0.00 36.73 38.86 2cug h TYR 78 CO -0.25 -0.61 -0.22 0.22 -1.32 0.00 0.00 178.16 175.98 2cug h ASP 79 N -0.91 -0.77 -0.87 -2.11 3.58 -1.34 0.89 116.42 114.90 2cug h ASP 79 Ca -0.06 0.17 0.21 0.00 0.42 0.00 0.00 57.03 57.77 2cug h ASP 79 Cb 0.79 0.41 -0.12 0.00 1.72 0.00 0.00 39.33 42.12 2cug h ASP 79 CO -0.05 -0.25 0.34 -0.74 -2.88 0.00 0.00 179.24 175.65 2cug h HIS 80 N -0.13 0.55 0.00 0.28 2.76 -0.82 0.36 115.15 118.15 2cug h HIS 80 Ca 0.21 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 2cug h HIS 80 Cb 0.46 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2cug h HIS 80 CO -0.48 -0.07 -0.52 1.88 -1.30 0.00 0.00 177.93 177.44 2cug h TYR 81 N 0.36 0.00 -5.99 5.26 0.05 -0.19 -3.48 116.97 112.98 2cug h TYR 81 Ca 0.53 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.86 2cug h TYR 81 Cb 1.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 2cug h TYR 81 CO -0.17 0.20 -0.71 0.41 -1.05 0.00 0.00 178.16 176.84 2cug n GLY 82 N 1.19 -0.50 3.76 3.88 0.00 0.29 -4.93 105.19 108.88 2cug n GLY 82 Ca 0.01 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 2cug n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cug s SER 83 N -3.17 -0.14 -0.49 1.61 1.04 -1.24 -5.00 113.70 106.32 2cug s SER 83 Ca 0.60 -0.43 -0.20 0.00 0.48 0.00 0.00 55.95 56.39 2cug s SER 83 Cb -0.30 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2cug s SER 83 CO 0.74 -0.88 0.67 -0.83 0.98 0.00 0.00 173.24 173.92 2cug s GLY 84 N -3.02 1.70 0.50 7.32 0.00 -1.26 -4.87 107.32 107.69 2cug s GLY 84 Ca 0.14 -1.47 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 2cug s GLY 84 CO 0.02 1.57 1.15 2.56 0.00 0.00 0.00 173.10 178.41 2cug s PRO 85 N 2.88 3.58 -0.01 2.90 0.04 -1.26 -4.76 135.00 138.37 2cug s PRO 85 Ca 0.20 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 62.73 2cug s PRO 85 Cb -0.16 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2cug s PRO 85 CO 0.16 -0.68 0.62 -1.54 0.04 0.00 0.00 177.00 175.60 2cug s SER 86 N -1.53 6.99 0.33 6.66 1.04 -1.26 -4.88 113.70 121.06 2cug s SER 86 Ca 0.68 1.19 0.16 0.00 0.48 0.00 0.00 55.95 58.45 2cug s SER 86 Cb -0.27 -2.38 1.14 0.00 0.10 0.00 0.00 66.02 64.62 2cug s SER 86 CO 0.31 0.06 1.47 -1.54 0.98 0.00 0.00 173.24 174.52 2cug n SER 87 N 2.90 0.24 0.00 7.02 3.41 -1.26 -5.18 113.62 120.75 2cug n SER 87 Ca -0.06 1.55 0.00 0.00 -0.26 0.00 0.00 58.87 60.11 2cug n SER 87 Cb 0.51 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2cug n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49