#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug h SER 2 N 0.00 -1.23 0.05 1.61 4.64 -2.12 -2.79 113.55 113.72 2cug h SER 2 Ca 0.00 0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2cug h SER 2 Cb 0.00 0.66 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2cug h SER 2 CO 0.00 -0.29 -0.02 0.28 -0.87 0.00 0.00 176.83 175.92 2cug h SER 3 N -0.04 -0.05 -5.00 4.97 0.02 -2.14 -3.49 113.55 107.82 2cug h SER 3 Ca 0.34 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2cug h SER 3 Cb 0.60 0.01 0.09 0.00 0.14 0.00 0.00 62.40 63.24 2cug h SER 3 CO -0.90 0.51 -0.37 0.61 -1.14 0.00 0.00 176.83 175.54 2cug n GLY 4 N 1.57 -0.94 2.70 -3.77 0.00 -1.05 -5.04 105.19 98.65 2cug n GLY 4 Ca -0.02 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 2cug n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cug s SER 5 N -3.08 1.72 0.11 1.61 0.15 -1.26 -5.04 113.70 107.91 2cug s SER 5 Ca 0.20 -0.21 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 2cug s SER 5 Cb -0.03 -0.31 -0.09 0.00 -1.71 0.00 0.00 66.02 63.88 2cug s SER 5 CO 0.62 -0.26 1.64 0.28 1.20 0.00 0.00 173.24 176.72 2cug h SER 6 N 8.38 -0.68 0.00 5.45 0.02 -2.05 -3.48 113.55 121.18 2cug h SER 6 Ca -0.15 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2cug h SER 6 Cb 1.13 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2cug h SER 6 CO 0.23 -0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.20 2cug n GLY 7 N -1.37 0.39 3.85 -3.77 0.00 -1.26 -5.10 105.19 97.93 2cug n GLY 7 Ca -0.07 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 4.72 0.18 -0.61 -5.25 -1.26 -5.09 121.20 113.89 2cug s ILE 8 Ca 0.00 0.91 -0.00 0.00 -0.99 0.00 0.00 60.65 60.57 2cug s ILE 8 Cb 0.00 -3.67 -0.04 0.00 2.95 0.00 0.00 42.46 41.70 2cug s ILE 8 CO 0.00 -0.06 0.08 -1.48 -1.79 0.00 0.00 174.94 171.70 2cug s LEU 9 N -2.68 1.59 0.12 0.37 -0.00 -1.26 -5.17 118.68 111.65 2cug s LEU 9 Ca 0.49 -1.30 0.10 0.00 -0.00 0.00 0.00 54.13 53.43 2cug s LEU 9 Cb -0.12 0.22 -0.04 0.00 -0.00 0.00 0.00 46.19 46.26 2cug s LEU 9 CO 0.19 -0.74 -0.26 -1.58 -0.00 0.00 0.00 176.35 173.96 2cug s GLN 10 N -4.06 1.51 0.08 1.48 0.74 -1.26 -5.14 119.66 113.01 2cug s GLN 10 Ca 0.32 -1.29 0.09 0.00 0.05 0.00 0.00 55.36 54.53 2cug s GLN 10 Cb 0.07 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.20 2cug s GLN 10 CO 0.08 0.46 -0.23 0.45 -0.55 0.00 0.00 175.29 175.50 2cug s SER 11 N -1.97 3.47 0.00 6.67 0.15 -1.26 -5.02 113.70 115.74 2cug s SER 11 Ca 0.14 -0.60 0.06 0.00 0.70 0.00 0.00 55.95 56.25 2cug s SER 11 Cb -0.10 -0.38 0.04 0.00 -1.71 0.00 0.00 66.02 63.87 2cug s SER 11 CO 0.06 0.22 0.64 0.00 1.20 0.00 0.00 173.24 175.36 2cug n LEU 12 N 1.29 1.37 -0.25 3.45 -0.00 -1.26 -4.64 117.00 116.97 2cug n LEU 12 Ca -0.17 -0.94 -0.02 0.00 -0.00 0.00 0.00 56.01 54.88 2cug n LEU 12 Cb 0.52 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.98 2cug n LEU 12 CO 0.25 0.29 0.65 0.77 -0.00 0.00 0.00 177.39 179.34 2cug h SER 13 N 1.09 -1.06 -0.12 1.45 4.64 -1.95 -0.23 113.55 117.37 2cug h SER 13 Ca 0.00 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2cug h SER 13 Cb 0.25 0.57 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2cug h SER 13 CO 0.00 -0.29 0.08 0.00 -0.87 0.00 0.00 176.83 175.75 2cug h ALA 14 N 1.29 0.15 -2.52 5.18 0.00 -1.98 -3.47 119.26 117.90 2cug h ALA 14 Ca 0.29 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.35 2cug h ALA 14 Cb 0.56 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2cug h ALA 14 CO -0.76 -0.35 0.57 -0.48 0.00 0.00 0.00 179.25 178.23 2cug s LEU 15 N -10.15 -0.01 0.03 0.00 2.34 -0.10 -5.07 118.68 105.72 2cug s LEU 15 Ca -0.13 -0.66 -0.06 0.00 0.06 0.00 0.00 54.13 53.34 2cug s LEU 15 Cb 0.07 2.10 -0.02 0.00 -0.56 0.00 0.00 46.19 47.79 2cug s LEU 15 CO 0.68 -0.99 1.10 -0.78 -1.06 0.00 0.00 176.35 175.30 2cug h ASP 16 N 2.00 -0.38 -3.12 1.48 3.58 -1.93 -3.38 116.42 114.67 2cug h ASP 16 Ca -0.27 0.05 -0.63 0.00 0.42 0.00 0.00 57.03 56.60 2cug h ASP 16 Cb 1.22 0.16 -0.18 0.00 1.72 0.00 0.00 39.33 42.25 2cug h ASP 16 CO 0.35 -0.07 -0.81 0.72 -2.88 0.00 0.00 179.24 176.56 2cug s PHE 17 N -3.49 2.23 0.14 0.28 -0.12 -1.26 -4.65 117.98 111.11 2cug s PHE 17 Ca -0.03 -0.37 -0.19 0.00 -0.05 0.00 0.00 56.93 56.29 2cug s PHE 17 Cb 0.02 -1.09 -0.07 0.00 -0.63 0.00 0.00 43.02 41.24 2cug s PHE 17 CO 0.12 0.50 0.63 -0.51 -0.05 0.00 0.00 175.22 175.91 2cug s ASP 18 N -2.77 7.05 0.09 1.98 1.11 -1.26 -5.00 116.67 117.87 2cug s ASP 18 Ca 0.21 1.31 -0.16 0.00 0.18 0.00 0.00 52.55 54.10 2cug s ASP 18 Cb -0.07 -2.38 -0.09 0.00 1.07 0.00 0.00 42.92 41.45 2cug s ASP 18 CO 0.10 0.16 1.41 1.55 1.18 0.00 0.00 175.17 179.58 2cug h PRO 19 N 3.99 0.65 -0.74 8.23 0.13 -1.96 -2.28 132.00 140.03 2cug h PRO 19 Ca -0.49 -0.34 -0.03 0.00 -0.87 0.00 0.00 66.00 64.27 2cug h PRO 19 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2cug h PRO 19 CO 0.65 0.95 0.35 1.88 -0.23 0.00 0.00 178.00 181.60 2cug h TYR 20 N 0.38 1.04 -0.24 1.56 -1.99 -1.89 0.17 116.97 116.00 2cug h TYR 20 Ca 0.04 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 2cug h TYR 20 Cb 0.83 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 2cug h TYR 20 CO 0.07 0.76 -0.17 0.00 -0.00 0.00 0.00 178.16 178.83 2cug h ARG 21 N 1.04 0.54 -0.14 4.88 2.47 -1.85 0.89 114.38 122.21 2cug h ARG 21 Ca 0.25 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2cug h ARG 21 Cb 0.11 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2cug h ARG 21 CO -0.03 0.83 -0.02 0.28 0.56 0.00 0.00 179.97 181.59 2cug h VAL 22 N 0.25 1.27 -0.04 2.04 2.07 -1.15 -3.17 116.25 117.52 2cug h VAL 22 Ca 0.05 -0.92 -0.19 0.00 0.82 0.00 0.00 66.70 66.46 2cug h VAL 22 Cb 0.69 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2cug h VAL 22 CO 0.05 0.27 -0.79 -0.07 0.02 0.00 0.00 177.57 177.04 2cug h LEU 23 N -0.02 0.39 -2.49 2.57 3.38 -0.71 -3.46 115.31 114.97 2cug h LEU 23 Ca 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2cug h LEU 23 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2cug h LEU 23 CO 0.01 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.19 2cug n GLY 24 N 0.68 0.83 3.31 0.83 0.00 0.30 -4.72 105.19 106.43 2cug n GLY 24 Ca -0.04 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.86 1.63 0.65 1.61 -7.23 -0.65 -5.03 120.40 108.52 2cug s VAL 25 Ca 0.00 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 2cug s VAL 25 Cb 0.00 -1.87 0.11 0.00 0.56 0.00 0.00 36.38 35.18 2cug s VAL 25 CO 0.00 -0.50 0.90 -0.94 -0.31 0.00 0.00 175.10 174.25 2cug s SER 26 N -2.96 4.70 0.41 4.85 1.04 -1.26 -4.77 113.70 115.70 2cug s SER 26 Ca 0.17 -0.59 0.15 0.00 0.48 0.00 0.00 55.95 56.17 2cug s SER 26 Cb -0.03 0.13 0.87 0.00 0.10 0.00 0.00 66.02 67.09 2cug s SER 26 CO 0.05 -1.61 1.88 0.03 0.98 0.00 0.00 173.24 174.57 2cug h ARG 27 N -0.19 0.00 0.00 4.02 3.08 -2.01 -2.01 114.38 117.26 2cug h ARG 27 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2cug h ARG 27 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2cug h ARG 27 CO 0.40 0.30 -0.25 0.25 -1.07 0.00 0.00 179.97 179.60 2cug n THR 28 N -4.03 0.01 -2.27 2.04 -2.24 -1.26 -4.80 114.28 101.73 2cug n THR 28 Ca -0.02 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 2cug n THR 28 Cb 0.36 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 2cug n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cug s ALA 29 N -3.00 3.17 0.50 6.98 0.00 -0.76 -5.00 121.76 123.64 2cug s ALA 29 Ca 0.12 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.26 2cug s ALA 29 Cb 0.18 -3.88 0.04 0.00 0.00 0.00 0.00 23.12 19.46 2cug s ALA 29 CO 0.62 -2.15 0.70 -1.54 0.00 0.00 0.00 175.76 173.39 2cug s SER 30 N 3.96 5.36 0.14 0.00 1.04 -1.26 -4.74 113.70 118.20 2cug s SER 30 Ca 0.65 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 56.52 2cug s SER 30 Cb -0.18 -0.51 0.05 0.00 0.10 0.00 0.00 66.02 65.47 2cug s SER 30 CO 0.29 -1.05 1.11 0.00 0.98 0.00 0.00 173.24 174.58 2cug n GLN 31 N -2.13 -0.25 -0.32 4.02 1.13 -1.26 0.22 117.38 118.79 2cug n GLN 31 Ca 0.10 1.10 0.16 0.00 -1.94 0.00 0.00 57.00 56.41 2cug n GLN 31 Cb 0.60 -1.62 0.35 0.00 0.11 0.00 0.00 30.24 29.68 2cug n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2cug h ALA 32 N 0.65 1.57 -0.03 -1.58 0.00 -2.00 0.25 119.26 118.11 2cug h ALA 32 Ca 0.18 0.17 -0.24 0.00 0.00 0.00 0.00 54.91 55.02 2cug h ALA 32 Cb 0.36 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2cug h ALA 32 CO -0.69 -0.38 -0.93 -0.44 0.00 0.00 0.00 179.25 176.80 2cug h ASP 33 N 0.40 0.73 0.87 0.00 3.32 0.23 -3.29 116.42 118.68 2cug h ASP 33 Ca 0.61 -0.56 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2cug h ASP 33 Cb 1.21 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.54 2cug h ASP 33 CO -0.55 1.35 -0.42 0.40 -1.72 0.00 0.00 179.24 178.30 2cug h ILE 34 N 0.35 0.00 -0.87 0.35 2.04 0.25 -2.44 117.51 117.19 2cug h ILE 34 Ca -0.09 -0.12 0.15 0.00 1.00 0.00 0.00 64.86 65.80 2cug h ILE 34 Cb 1.56 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.49 2cug h ILE 34 CO 0.17 0.00 -0.30 1.17 0.00 0.00 0.00 178.15 179.19 2cug n LYS 35 N -5.48 -0.17 -0.26 2.37 4.81 0.53 0.20 118.16 120.16 2cug n LYS 35 Ca -0.15 1.34 0.00 0.00 -0.87 0.00 0.00 58.31 58.64 2cug n LYS 35 Cb 0.46 -2.00 0.22 0.00 0.02 0.00 0.00 35.03 33.73 2cug n LYS 35 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2cug h LYS 36 N 0.00 1.06 -0.41 1.64 1.57 -1.61 -0.50 116.57 118.32 2cug h LYS 36 Ca 0.34 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2cug h LYS 36 Cb 0.55 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2cug h LYS 36 CO -0.87 0.70 -0.07 0.00 -0.57 0.00 0.00 179.45 178.63 2cug h ALA 37 N 1.50 0.56 0.43 3.86 0.00 0.28 -1.38 119.26 124.51 2cug h ALA 37 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2cug h ALA 37 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2cug h ALA 37 CO -0.07 0.41 -0.21 -0.92 0.00 0.00 0.00 179.25 178.46 2cug h TYR 38 N 0.59 -0.54 -0.13 0.00 3.20 -0.03 -2.44 116.97 117.62 2cug h TYR 38 Ca 0.11 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2cug h TYR 38 Cb 0.59 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.99 2cug h TYR 38 CO 0.05 -0.22 -0.18 0.87 -1.64 0.00 0.00 178.16 177.04 2cug h LYS 39 N -0.84 -0.22 -0.87 1.82 1.57 -1.16 0.23 116.57 117.11 2cug h LYS 39 Ca -0.06 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.92 2cug h LYS 39 Cb 0.56 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.81 2cug h LYS 39 CO 0.10 -0.14 0.40 -0.22 -0.57 0.00 0.00 179.45 179.02 2cug h LYS 40 N -0.22 0.48 -0.11 3.15 3.64 -1.28 0.24 116.57 122.46 2cug h LYS 40 Ca 0.10 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2cug h LYS 40 Cb 0.36 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2cug h LYS 40 CO -0.26 0.31 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.95 2cug h LEU 41 N 0.49 0.39 -1.52 5.20 3.38 -0.80 -2.49 115.31 119.96 2cug h LEU 41 Ca 0.51 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2cug h LEU 41 Cb 0.87 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2cug h LEU 41 CO -0.45 0.87 0.38 0.00 0.09 0.00 0.00 178.44 179.33 2cug h ALA 42 N 0.53 1.77 -0.25 1.53 0.00 0.67 0.13 119.26 123.63 2cug h ALA 42 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2cug h ALA 42 Cb 0.80 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2cug h ALA 42 CO 0.05 0.15 -0.54 0.00 0.00 0.00 0.00 179.25 178.91 2cug h ARG 43 N 0.61 0.82 0.44 0.00 3.08 -0.54 0.54 114.38 119.32 2cug h ARG 43 Ca 0.24 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 2cug h ARG 43 Cb 0.19 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2cug h ARG 43 CO -0.07 1.17 -0.21 0.93 -1.07 0.00 0.00 179.97 180.72 2cug h GLU 44 N 0.58 -0.57 -0.17 0.04 4.39 -0.89 -3.14 114.58 114.82 2cug h GLU 44 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2cug h GLU 44 Cb 1.15 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2cug h GLU 44 CO 0.12 -0.32 0.00 0.91 -1.16 0.00 0.00 179.01 178.56 2cug n TRP 45 N -5.18 0.01 -1.59 4.33 7.02 0.37 -4.85 117.44 117.56 2cug n TRP 45 Ca -0.08 -0.01 -0.50 0.00 -1.02 0.00 0.00 57.50 55.89 2cug n TRP 45 Cb 0.26 -0.02 -0.06 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 0.00 177.69 177.25 2cug n HIS 46 N -0.40 1.99 0.34 -5.99 -0.00 0.18 -4.41 115.22 106.93 2cug n HIS 46 Ca 0.00 0.16 0.15 0.00 0.46 0.00 0.00 57.72 58.49 2cug n HIS 46 Cb 0.05 -2.59 0.60 0.00 -0.12 0.00 0.00 29.99 27.92 2cug n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2cug h PRO 47 N 10.75 0.00 -0.28 1.57 0.13 -1.83 0.97 132.00 143.31 2cug h PRO 47 Ca -0.40 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 2cug h PRO 47 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2cug h PRO 47 CO 0.98 0.00 -0.54 0.22 -0.23 0.00 0.00 178.00 178.43 2cug h ASP 48 N 0.00 0.94 0.16 1.44 1.82 -1.94 -3.31 116.42 115.53 2cug h ASP 48 Ca 0.00 -0.50 -0.34 0.00 -0.39 0.00 0.00 57.03 55.80 2cug h ASP 48 Cb 0.42 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.10 2cug h ASP 48 CO 0.00 1.29 -2.16 0.29 -1.61 0.00 0.00 179.24 177.05 2cug n LYS 49 N -4.00 0.67 -2.43 0.28 5.02 -1.12 -4.93 118.16 111.65 2cug n LYS 49 Ca -0.04 0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2cug n LYS 49 Cb 0.62 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cug s ASN 50 N -5.67 7.14 -0.16 4.39 -0.87 0.32 -4.94 114.94 115.15 2cug s ASN 50 Ca -0.08 2.14 0.10 0.00 -1.57 0.00 0.00 52.86 53.45 2cug s ASN 50 Cb 0.07 -2.60 -0.17 0.00 -0.02 0.00 0.00 41.25 38.53 2cug s ASN 50 CO 0.83 -0.35 -0.01 0.29 -2.57 0.00 0.00 177.10 175.30 2cug n LYS 51 N 2.77 1.25 -1.64 -0.60 4.76 -1.26 -4.75 118.16 118.69 2cug n LYS 51 Ca 0.05 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 2cug n LYS 51 Cb 0.45 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2cug n ASP 52 N -2.69 1.83 -4.65 4.39 9.92 -1.26 -4.88 116.55 119.21 2cug n ASP 52 Ca -0.27 1.11 -0.43 0.00 -0.53 0.00 0.00 54.79 54.67 2cug n ASP 52 Cb 0.96 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.02 2cug n ASP 52 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cug s PRO 53 N -1.96 4.03 0.00 -0.24 0.04 -1.26 -3.18 135.00 132.43 2cug s PRO 53 Ca 0.61 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2cug s PRO 53 Cb -0.57 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2cug s PRO 53 CO 0.59 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2cug n GLY 54 N 4.25 2.55 0.30 0.56 0.00 -1.26 -4.97 105.19 106.62 2cug n GLY 54 Ca 0.17 -0.62 0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 0.94 0.29 4.61 0.00 -1.19 -0.41 120.51 124.74 2cug n ALA 55 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 53.44 54.18 2cug n ALA 55 Cb 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.70 -0.84 0.00 4.81 -1.85 -1.94 114.58 114.06 2cug h GLU 56 Ca 0.73 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 60.09 2cug h GLU 56 Cb 2.02 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 31.46 2cug h GLU 56 CO -0.61 -0.47 -0.49 -3.47 -0.73 0.00 0.00 179.01 173.24 2cug n ASP 57 N -4.05 -0.89 -0.21 1.04 2.03 0.45 0.59 116.55 115.51 2cug n ASP 57 Ca -0.09 1.53 0.02 0.00 0.52 0.00 0.00 54.79 56.77 2cug n ASP 57 Cb 0.29 -0.21 0.13 0.00 -0.72 0.00 0.00 41.12 40.60 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2cug h ARG 58 N 0.00 0.27 -0.34 -0.67 9.65 -1.52 0.12 114.38 121.89 2cug h ARG 58 Ca 0.13 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2cug h ARG 58 Cb 0.34 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 2cug h ARG 58 CO -0.79 0.18 0.19 0.35 2.80 0.00 0.00 179.97 182.71 2cug h PHE 59 N 0.28 0.45 -0.88 2.20 3.04 0.97 -2.15 116.94 120.86 2cug h PHE 59 Ca 0.34 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.35 2cug h PHE 59 Cb 0.53 -0.15 -0.06 0.00 2.56 0.00 0.00 35.95 38.83 2cug h PHE 59 CO -0.24 0.31 0.55 0.82 -2.02 0.00 0.00 178.31 177.73 2cug h ILE 60 N 0.47 1.06 0.46 1.41 1.08 0.22 -2.46 117.51 119.75 2cug h ILE 60 Ca 0.12 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2cug h ILE 60 Cb 0.00 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 2cug h ILE 60 CO -0.02 0.19 -0.22 1.56 -0.69 0.00 0.00 178.15 178.96 2cug h GLN 61 N 1.02 -0.59 -0.92 2.37 4.20 -1.23 -2.49 115.11 117.46 2cug h GLN 61 Ca 0.38 0.04 0.39 0.00 0.06 0.00 0.00 58.65 59.51 2cug h GLN 61 Cb 0.14 0.14 -0.17 0.00 0.30 0.00 0.00 27.48 27.89 2cug h GLN 61 CO -0.16 -0.40 0.50 -0.89 -0.67 0.00 0.00 178.83 177.21 2cug n ILE 62 N -5.12 -0.39 -0.01 2.54 5.41 -1.01 0.19 119.36 120.97 2cug n ILE 62 Ca -0.08 1.88 -0.17 0.00 1.00 0.00 0.00 62.75 65.38 2cug n ILE 62 Cb 0.24 -3.05 -0.07 0.00 -0.71 0.00 0.00 39.64 36.06 2cug n ILE 62 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2cug h SER 63 N 0.00 0.91 0.86 4.38 0.87 -1.46 -2.88 113.55 116.23 2cug h SER 63 Ca 0.78 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2cug h SER 63 Cb 2.07 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2cug h SER 63 CO -0.71 1.42 0.00 0.11 -0.53 0.00 0.00 176.83 177.11 2cug h LYS 64 N 0.50 0.00 0.00 2.24 1.57 0.27 -1.71 116.57 119.44 2cug h LYS 64 Ca -0.06 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 2cug h LYS 64 Cb 1.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.72 2cug h LYS 64 CO 0.17 0.00 -1.30 0.00 -0.57 0.00 0.00 179.45 177.74 2cug h ALA 65 N 2.23 0.64 0.07 3.86 0.00 -0.42 -3.38 119.26 122.26 2cug h ALA 65 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 54.91 53.71 2cug h ALA 65 Cb 0.43 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2cug h ALA 65 CO 0.00 1.15 -1.06 -0.92 0.00 0.00 0.00 179.25 178.42 2cug h TYR 66 N 0.00 0.26 -1.61 0.00 3.20 -1.27 -3.34 116.97 114.21 2cug h TYR 66 Ca -0.15 -0.19 0.51 0.00 3.14 0.00 0.00 58.73 62.04 2cug h TYR 66 Cb 1.72 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.87 2cug h TYR 66 CO 0.00 1.41 1.10 1.05 -1.64 0.00 0.00 178.16 180.08 2cug h GLU 67 N -0.61 0.01 0.02 1.82 4.11 -1.50 1.17 114.58 119.61 2cug h GLU 67 Ca -0.24 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.18 2cug h GLU 67 Cb 1.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2cug h GLU 67 CO -0.01 0.01 -0.01 0.82 0.07 0.00 0.00 179.01 179.89 2cug h ILE 68 N 0.01 1.42 0.17 -1.06 2.04 -1.73 -3.19 117.51 115.17 2cug h ILE 68 Ca 0.90 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2cug h ILE 68 Cb 3.18 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 41.64 2cug h ILE 68 CO -0.27 0.37 -0.08 -0.07 0.00 0.00 0.00 178.15 178.09 2cug h LEU 69 N -0.67 -0.19 -0.73 1.44 3.38 0.03 0.29 115.31 118.86 2cug h LEU 69 Ca -0.00 -0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2cug h LEU 69 Cb 0.62 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 2cug h LEU 69 CO 0.01 0.31 -0.23 -0.24 0.09 0.00 0.00 178.44 178.38 2cug n SER 70 N -4.92 -0.36 -4.73 -0.43 2.88 0.35 -4.17 113.62 102.24 2cug n SER 70 Ca -0.04 1.26 -0.42 0.00 -1.33 0.00 0.00 58.87 58.35 2cug n SER 70 Cb 0.13 -0.34 -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 -5.22 6.94 0.20 -3.46 -0.87 -1.20 -4.93 114.94 106.39 2cug s ASN 71 Ca -0.11 2.30 -0.07 0.00 -1.57 0.00 0.00 52.86 53.41 2cug s ASN 71 Cb 0.17 -2.60 0.13 0.00 -0.02 0.00 0.00 41.25 38.94 2cug s ASN 71 CO 0.55 -0.52 1.69 -0.08 -2.57 0.00 0.00 177.10 176.16 2cug h GLU 72 N 5.91 1.04 0.14 -0.60 4.81 -1.87 -1.56 114.58 122.46 2cug h GLU 72 Ca -0.44 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 2cug h GLU 72 Cb 1.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2cug h GLU 72 CO 0.80 0.99 -0.07 0.93 -0.73 0.00 0.00 179.01 180.93 2cug h GLU 73 N 0.97 -0.18 -0.85 1.92 5.08 -1.91 -1.75 114.58 117.87 2cug h GLU 73 Ca 0.18 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.77 2cug h GLU 73 Cb 0.49 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.65 2cug h GLU 73 CO 0.02 -0.12 0.21 0.87 -1.00 0.00 0.00 179.01 178.99 2cug h LYS 74 N -0.25 0.21 0.54 2.33 1.57 -1.76 0.13 116.57 119.35 2cug h LYS 74 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2cug h LYS 74 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2cug h LYS 74 CO 0.03 0.14 -0.41 -0.09 -0.57 0.00 0.00 179.45 178.55 2cug h ARG 75 N 0.22 -0.90 -0.87 3.15 2.43 0.66 -2.46 114.38 116.61 2cug h ARG 75 Ca 0.52 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.83 2cug h ARG 75 Cb 1.00 0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 30.69 2cug h ARG 75 CO -0.63 -0.60 0.53 1.15 -1.51 0.00 0.00 179.97 178.91 2cug h THR 76 N -0.93 0.98 -0.60 0.20 2.02 -0.27 -0.45 112.91 113.86 2cug h THR 76 Ca -0.06 -0.32 0.15 0.00 0.77 0.00 0.00 66.41 66.96 2cug h THR 76 Cb 0.79 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2cug h THR 76 CO 0.01 0.17 0.42 -1.13 0.37 0.00 0.00 175.52 175.36 2cug h ASN 77 N 0.92 0.11 0.44 4.18 -1.24 -0.47 0.14 115.58 119.65 2cug h ASN 77 Ca 0.40 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 2cug h ASN 77 Cb 0.28 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2cug h ASN 77 CO -0.21 0.06 -0.21 0.22 -1.29 0.00 0.00 177.43 175.99 2cug h TYR 78 N 0.11 -0.54 -0.61 0.67 5.03 -0.62 -1.90 116.97 119.12 2cug h TYR 78 Ca 0.29 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.56 2cug h TYR 78 Cb 0.98 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 39.41 2cug h TYR 78 CO -0.00 -0.22 0.28 0.22 -1.32 0.00 0.00 178.16 177.12 2cug h ASP 79 N -0.97 0.78 0.84 -2.11 1.82 -1.34 -1.10 116.42 114.33 2cug h ASP 79 Ca -0.06 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2cug h ASP 79 Cb 0.57 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2cug h ASP 79 CO 0.10 0.67 0.00 0.45 -1.61 0.00 0.00 179.24 178.85 2cug h HIS 80 N 0.86 0.00 0.00 0.28 3.86 -0.76 -2.22 115.15 117.18 2cug h HIS 80 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2cug h HIS 80 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2cug h HIS 80 CO 0.01 0.00 0.00 0.98 0.86 0.00 0.00 177.93 179.78 2cug n TYR 81 N -2.62 0.35 0.00 2.45 9.36 -0.42 -4.85 117.16 121.42 2cug n TYR 81 Ca 0.01 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.35 2cug n TYR 81 Cb 0.26 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.28 2cug n TYR 81 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2cug n GLY 82 N 0.90 1.63 3.68 2.98 0.00 -0.85 -5.06 105.19 108.47 2cug n GLY 82 Ca 0.05 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 2cug n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cug n SER 83 N 0.00 3.25 0.00 1.61 2.88 -1.12 -4.63 113.62 115.61 2cug n SER 83 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2cug n SER 83 Cb 0.00 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 2cug n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cug n GLY 84 N 4.23 1.91 3.67 0.46 0.00 -1.26 -4.98 105.19 109.22 2cug n GLY 84 Ca 0.22 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2cug n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cug s PRO 85 N -5.01 4.22 0.02 1.61 0.04 -1.26 -5.01 135.00 129.61 2cug s PRO 85 Ca 0.00 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2cug s PRO 85 Cb 0.00 -3.83 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 2cug s PRO 85 CO 0.00 -0.75 -0.04 0.45 0.04 0.00 0.00 177.00 176.69 2cug s SER 86 N 2.66 0.45 0.08 6.66 0.15 -1.26 -5.16 113.70 117.27 2cug s SER 86 Ca 0.67 -0.42 0.08 0.00 0.70 0.00 0.00 55.95 56.98 2cug s SER 86 Cb -0.30 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 2cug s SER 86 CO 0.25 -0.20 -0.22 -0.55 1.20 0.00 0.00 173.24 173.72 2cug s SER 87 N -1.21 2.65 0.00 5.45 0.15 -1.26 -5.24 113.70 114.24 2cug s SER 87 Ca -0.11 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2cug s SER 87 Cb -0.08 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 2cug s SER 87 CO -0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18