#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug n SER 2 N 0.00 -4.80 -0.08 1.61 7.64 -1.26 -4.92 113.62 111.82 2cug n SER 2 Ca 0.00 -0.62 -0.23 0.00 1.01 0.00 0.00 58.87 59.03 2cug n SER 2 Cb 0.00 -4.77 -0.12 0.00 -1.01 0.00 0.00 64.21 58.31 2cug n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cug n SER 3 N -3.01 1.98 -4.10 6.43 2.88 -1.26 -4.97 113.62 111.56 2cug n SER 3 Ca -0.07 0.27 -0.31 0.00 -1.33 0.00 0.00 58.87 57.43 2cug n SER 3 Cb 0.59 -0.85 0.13 0.00 -0.75 0.00 0.00 64.21 63.33 2cug n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cug n GLY 4 N 1.68 -2.60 3.09 0.46 0.00 -1.26 -5.02 105.19 101.54 2cug n GLY 4 Ca -0.37 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.64 1.54 0.76 1.61 0.15 -1.26 -5.15 113.70 109.71 2cug s SER 5 Ca 0.47 -0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 2cug s SER 5 Cb -0.05 -0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.18 2cug s SER 5 CO 0.60 0.16 1.07 -0.94 1.20 0.00 0.00 173.24 175.33 2cug s SER 6 N -0.27 4.28 0.00 5.45 1.04 -1.26 -5.09 113.70 117.85 2cug s SER 6 Ca 0.04 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2cug s SER 6 Cb -0.05 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.50 2cug s SER 6 CO -0.00 -1.93 0.00 0.61 0.98 0.00 0.00 173.24 172.90 2cug n GLY 7 N -3.07 3.74 3.79 7.32 0.00 -1.26 -5.14 105.19 110.57 2cug n GLY 7 Ca 0.12 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2cug n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cug s ILE 8 N -0.35 5.39 -0.18 -0.61 -1.09 -1.26 -5.09 121.20 118.02 2cug s ILE 8 Ca 0.00 0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 58.71 2cug s ILE 8 Cb 0.00 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2cug s ILE 8 CO 0.00 0.50 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.40 2cug s LEU 9 N -0.20 3.00 -0.03 2.97 2.01 -1.26 -5.11 118.68 120.07 2cug s LEU 9 Ca 0.13 -0.28 -0.08 0.00 0.01 0.00 0.00 54.13 53.92 2cug s LEU 9 Cb -0.12 -1.73 -0.05 0.00 0.01 0.00 0.00 46.19 44.30 2cug s LEU 9 CO 0.02 0.08 0.25 0.00 1.01 0.00 0.00 176.35 177.72 2cug s GLN 10 N 0.85 3.59 -0.16 1.70 -2.07 -1.26 -5.09 119.66 117.22 2cug s GLN 10 Ca -0.01 -0.03 -0.07 0.00 -1.82 0.00 0.00 55.36 53.43 2cug s GLN 10 Cb -0.15 -3.12 0.07 0.00 -1.09 0.00 0.00 33.01 28.72 2cug s GLN 10 CO 0.01 0.69 0.35 -1.54 -1.32 0.00 0.00 175.29 173.48 2cug s SER 11 N -1.46 -0.21 -0.21 12.60 1.04 -1.26 -5.14 113.70 119.05 2cug s SER 11 Ca 0.24 0.79 -0.09 0.00 0.48 0.00 0.00 55.95 57.38 2cug s SER 11 Cb -0.13 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 2cug s SER 11 CO 0.13 -0.21 0.10 -0.76 0.98 0.00 0.00 173.24 173.48 2cug s LEU 12 N 1.95 3.87 0.37 2.42 1.02 -1.26 -5.08 118.68 121.97 2cug s LEU 12 Ca -0.05 0.05 -0.27 0.00 0.02 0.00 0.00 54.13 53.89 2cug s LEU 12 Cb -0.11 -2.01 -0.09 0.00 0.02 0.00 0.00 46.19 44.01 2cug s LEU 12 CO -0.11 0.10 1.19 -0.44 0.02 0.00 0.00 176.35 177.12 2cug s SER 13 N 0.80 6.67 -0.08 2.29 0.01 -1.26 -4.96 113.70 117.17 2cug s SER 13 Ca 0.05 2.42 0.02 0.00 1.31 0.00 0.00 55.95 59.75 2cug s SER 13 Cb -0.13 -2.62 -0.25 0.00 0.21 0.00 0.00 66.02 63.22 2cug s SER 13 CO 0.02 -0.58 0.54 0.00 0.41 0.00 0.00 173.24 173.63 2cug h ALA 14 N 2.95 0.57 -0.92 1.44 0.00 -1.95 -3.48 119.26 117.87 2cug h ALA 14 Ca -0.49 -1.40 -0.62 0.00 0.00 0.00 0.00 54.91 52.41 2cug h ALA 14 Cb 1.23 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 19.50 2cug h ALA 14 CO 0.64 1.42 -0.47 -0.48 0.00 0.00 0.00 179.25 180.36 2cug s LEU 15 N -6.63 2.70 0.22 0.00 2.34 -1.26 -5.00 118.68 111.06 2cug s LEU 15 Ca -0.14 -1.35 -0.08 0.00 0.06 0.00 0.00 54.13 52.63 2cug s LEU 15 Cb 0.07 -1.07 0.35 0.00 -0.56 0.00 0.00 46.19 44.97 2cug s LEU 15 CO 0.80 -0.78 1.26 -0.67 -1.06 0.00 0.00 176.35 175.90 2cug n ASP 16 N -1.35 -0.33 -3.52 1.48 2.03 -1.26 -4.63 116.55 108.97 2cug n ASP 16 Ca -0.08 1.40 -0.12 0.00 0.52 0.00 0.00 54.79 56.50 2cug n ASP 16 Cb 0.66 -0.41 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 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 -5.98 -0.42 -0.06 -0.67 -0.12 -1.26 -5.08 117.98 104.39 2cug s PHE 17 Ca -0.12 0.28 -0.04 0.00 -0.05 0.00 0.00 56.93 57.00 2cug s PHE 17 Cb 0.21 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 2cug s PHE 17 CO 0.62 -0.75 0.15 -0.51 -0.05 0.00 0.00 175.22 174.69 2cug s ASP 18 N -2.50 6.29 0.17 1.98 1.11 -1.26 -4.97 116.67 117.49 2cug s ASP 18 Ca -0.01 0.37 -0.07 0.00 0.18 0.00 0.00 52.55 53.03 2cug s ASP 18 Cb -0.00 -1.98 0.06 0.00 1.07 0.00 0.00 42.92 42.07 2cug s ASP 18 CO -0.09 0.33 1.52 1.55 1.18 0.00 0.00 175.17 179.66 2cug h PRO 19 N 4.36 0.79 -0.31 8.23 0.13 -1.95 -2.10 132.00 141.14 2cug h PRO 19 Ca -0.51 -0.41 -0.13 0.00 -0.87 0.00 0.00 66.00 64.07 2cug h PRO 19 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cug h PRO 19 CO 0.63 1.04 -0.33 1.88 -0.23 0.00 0.00 178.00 181.00 2cug h TYR 20 N 0.64 0.93 -0.29 1.56 -1.99 -1.86 -1.88 116.97 114.09 2cug h TYR 20 Ca 0.05 -0.28 -0.03 0.00 2.00 0.00 0.00 58.73 60.47 2cug h TYR 20 Cb 0.96 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 2cug h TYR 20 CO 0.05 1.06 0.06 0.00 -0.00 0.00 0.00 178.16 179.33 2cug h ARG 21 N 0.54 0.48 0.83 4.88 2.47 -1.75 0.13 114.38 121.96 2cug h ARG 21 Ca 0.05 -0.12 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2cug h ARG 21 Cb 0.91 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.18 2cug h ARG 21 CO 0.08 0.57 -0.40 0.28 0.56 0.00 0.00 179.97 181.06 2cug h VAL 22 N 0.30 0.12 -0.79 2.04 2.07 -1.39 -2.97 116.25 115.63 2cug h VAL 22 Ca 0.09 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2cug h VAL 22 Cb 0.32 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 2cug h VAL 22 CO 0.00 0.01 0.52 -0.07 0.02 0.00 0.00 177.57 178.05 2cug h LEU 23 N -1.20 0.69 -0.08 2.57 3.38 -1.39 -3.47 115.31 115.82 2cug h LEU 23 Ca -0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2cug h LEU 23 Cb 0.87 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2cug h LEU 23 CO 0.19 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.75 2cug n GLY 24 N -1.44 1.11 3.45 0.83 0.00 0.04 -4.90 105.19 104.29 2cug n GLY 24 Ca 0.13 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.08 1.64 0.46 1.61 -7.23 0.24 -5.03 120.40 110.00 2cug s VAL 25 Ca 0.00 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.12 2cug s VAL 25 Cb 0.00 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2cug s VAL 25 CO 0.00 -0.24 0.17 -0.44 -0.31 0.00 0.00 175.10 174.28 2cug s SER 26 N -3.47 4.34 0.65 4.85 0.01 -1.26 -4.35 113.70 114.47 2cug s SER 26 Ca 0.31 -1.27 0.39 0.00 1.31 0.00 0.00 55.95 56.69 2cug s SER 26 Cb 0.05 -0.08 2.16 0.00 0.21 0.00 0.00 66.02 68.35 2cug s SER 26 CO 0.13 -0.71 2.25 0.08 0.41 0.00 0.00 173.24 175.40 2cug h ARG 27 N 1.31 0.00 0.00 12.44 -0.00 -2.02 0.15 114.38 126.27 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 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.24 2cug h ARG 27 CO 0.70 0.00 0.00 0.25 -0.00 0.00 0.00 179.97 180.92 2cug n THR 28 N -3.19 0.76 -3.03 0.08 -2.24 -1.26 -4.72 114.28 100.68 2cug n THR 28 Ca -0.02 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 2cug n THR 28 Cb 0.15 -1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 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 -3.26 3.37 0.33 6.98 0.00 0.52 -5.07 121.76 124.62 2cug s ALA 29 Ca 0.06 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.26 2cug s ALA 29 Cb 0.10 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 2cug s ALA 29 CO 0.45 0.01 0.48 -1.12 0.00 0.00 0.00 175.76 175.59 2cug s SER 30 N 0.27 6.11 0.22 0.00 0.01 -1.26 -4.87 113.70 114.18 2cug s SER 30 Ca 0.37 0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.66 2cug s SER 30 Cb -0.19 -1.61 0.39 0.00 0.21 0.00 0.00 66.02 64.82 2cug s SER 30 CO 0.20 -0.34 1.22 1.67 0.41 0.00 0.00 173.24 176.41 2cug n GLN 31 N -1.67 -0.07 0.11 12.44 -0.06 -1.26 -0.81 117.38 126.07 2cug n GLN 31 Ca -0.03 1.22 -0.06 0.00 -2.00 0.00 0.00 57.00 56.12 2cug n GLN 31 Cb 0.57 -1.83 -0.03 0.00 -4.06 0.00 0.00 30.24 24.89 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 1.57 -0.91 -0.99 1.69 0.00 -2.01 -2.23 119.26 116.37 2cug h ALA 32 Ca 0.39 -0.07 0.34 0.00 0.00 0.00 0.00 54.91 55.57 2cug h ALA 32 Cb 0.62 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 2cug h ALA 32 CO -0.80 -0.92 0.51 -0.44 0.00 0.00 0.00 179.25 177.60 2cug h ASP 33 N -0.35 0.37 0.36 0.00 3.32 -1.34 0.76 116.42 119.54 2cug h ASP 33 Ca -0.02 0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2cug h ASP 33 Cb 0.29 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2cug h ASP 33 CO -0.01 -0.24 -0.36 0.40 -1.72 0.00 0.00 179.24 177.32 2cug h ILE 34 N 0.20 0.27 -0.84 0.35 2.04 -0.69 -2.32 117.51 116.52 2cug h ILE 34 Ca 0.75 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.69 2cug h ILE 34 Cb 1.79 0.27 -0.11 0.00 -0.74 0.00 0.00 36.82 38.03 2cug h ILE 34 CO -0.68 0.00 -0.56 0.11 0.00 0.00 0.00 178.15 177.03 2cug h LYS 35 N -0.74 -0.08 -0.98 2.37 1.57 -0.26 0.71 116.57 119.17 2cug h LYS 35 Ca -0.02 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.97 2cug h LYS 35 Cb 0.67 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 2cug h LYS 35 CO -0.06 -0.05 0.62 0.87 -0.57 0.00 0.00 179.45 180.26 2cug h LYS 36 N -0.08 0.57 -0.34 3.15 1.57 -1.43 0.18 116.57 120.19 2cug h LYS 36 Ca 0.14 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2cug h LYS 36 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2cug h LYS 36 CO -0.83 0.38 0.04 0.00 -0.57 0.00 0.00 179.45 178.46 2cug h ALA 37 N 1.63 0.46 0.24 3.86 0.00 0.88 -3.13 119.26 123.18 2cug h ALA 37 Ca 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2cug h ALA 37 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2cug h ALA 37 CO -0.30 0.18 -0.11 -0.92 0.00 0.00 0.00 179.25 178.10 2cug h TYR 38 N 0.40 -0.29 -0.94 0.00 3.20 0.11 -3.10 116.97 116.34 2cug h TYR 38 Ca 0.10 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.05 2cug h TYR 38 Cb 0.39 0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.64 2cug h TYR 38 CO 0.03 -0.09 -0.56 1.63 -1.64 0.00 0.00 178.16 177.53 2cug n LYS 39 N -5.17 -0.41 -0.06 1.82 4.01 -0.36 -0.06 118.16 117.92 2cug n LYS 39 Ca -0.09 1.47 -0.07 0.00 -0.51 0.00 0.00 58.31 59.11 2cug n LYS 39 Cb 0.19 -2.16 -0.05 0.00 -0.51 0.00 0.00 35.03 32.51 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 -0.19 -1.02 1.97 6.56 -1.53 0.44 116.57 122.79 2cug h LYS 40 Ca 0.15 0.01 0.25 0.00 -1.06 0.00 0.00 60.65 60.01 2cug h LYS 40 Cb 0.39 0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 31.98 2cug h LYS 40 CO -0.88 -0.13 0.63 -0.07 -2.06 0.00 0.00 179.45 176.94 2cug h LEU 41 N -0.19 0.59 -0.94 2.94 3.38 -1.21 0.59 115.31 120.46 2cug h LEU 41 Ca 0.03 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2cug h LEU 41 Cb 0.28 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2cug h LEU 41 CO -0.27 0.10 -0.36 0.00 0.09 0.00 0.00 178.44 177.99 2cug h ALA 42 N 1.68 1.11 0.02 1.53 0.00 0.17 0.26 119.26 124.03 2cug h ALA 42 Ca 0.63 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2cug h ALA 42 Cb 1.34 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.04 2cug h ALA 42 CO -0.40 0.57 -0.52 0.00 0.00 0.00 0.00 179.25 178.90 2cug h ARG 43 N 0.27 0.32 0.19 0.00 3.08 0.44 -1.62 114.38 117.06 2cug h ARG 43 Ca 0.03 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 2cug h ARG 43 Cb 0.77 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2cug h ARG 43 CO 0.06 1.07 -0.09 0.93 -1.07 0.00 0.00 179.97 180.86 2cug h GLU 44 N -0.27 -0.25 -0.29 0.04 5.08 -0.65 -3.12 114.58 115.11 2cug h GLU 44 Ca -0.07 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2cug h GLU 44 Cb 1.26 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2cug h GLU 44 CO 0.10 0.15 0.00 0.91 -1.00 0.00 0.00 179.01 179.17 2cug n TRP 45 N -4.97 0.03 -1.61 4.33 7.02 0.90 -4.88 117.44 118.27 2cug n TRP 45 Ca -0.08 -0.01 -0.49 0.00 -1.02 0.00 0.00 57.50 55.90 2cug n TRP 45 Cb 0.26 -0.03 -0.05 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.32 2.07 0.22 -5.99 -0.00 -0.61 -4.46 115.22 106.14 2cug n HIS 46 Ca 0.01 0.07 0.09 0.00 0.46 0.00 0.00 57.72 58.35 2cug n HIS 46 Cb 0.09 -2.63 0.48 0.00 -0.12 0.00 0.00 29.99 27.81 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 10.91 0.00 -0.15 1.57 0.13 -1.85 0.86 132.00 143.48 2cug h PRO 47 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 2cug h PRO 47 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2cug h PRO 47 CO 0.97 0.25 -0.18 -0.44 -0.23 0.00 0.00 178.00 178.37 2cug h ASP 48 N 0.00 0.23 0.00 1.44 5.19 -1.95 -3.15 116.42 118.19 2cug h ASP 48 Ca -0.00 -0.06 -0.35 0.00 -0.62 0.00 0.00 57.03 56.00 2cug h ASP 48 Cb 0.68 -0.06 -0.07 0.00 0.18 0.00 0.00 39.33 40.07 2cug h ASP 48 CO 0.03 0.44 -2.32 1.17 -3.12 0.00 0.00 179.24 175.44 2cug n LYS 49 N -4.22 0.85 -2.51 3.56 4.81 -1.10 -4.90 118.16 114.64 2cug n LYS 49 Ca -0.01 -0.01 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 2cug n LYS 49 Cb 0.31 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2cug s ASN 50 N -5.38 6.80 -0.16 3.14 0.01 0.28 -4.88 114.94 114.75 2cug s ASN 50 Ca -0.10 1.17 0.10 0.00 -0.71 0.00 0.00 52.86 53.32 2cug s ASN 50 Cb 0.06 -2.54 -0.23 0.00 0.41 0.00 0.00 41.25 38.95 2cug s ASN 50 CO 0.79 -0.98 0.21 0.29 -1.51 0.00 0.00 177.10 175.90 2cug n LYS 51 N 7.09 0.68 -1.69 -0.60 4.01 -1.26 -4.74 118.16 121.65 2cug n LYS 51 Ca 0.13 0.14 -0.41 0.00 -0.51 0.00 0.00 58.31 57.66 2cug n LYS 51 Cb 0.47 -1.62 0.01 0.00 -0.51 0.00 0.00 35.03 33.37 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2cug n ASP 52 N -3.02 2.44 -4.65 4.39 8.00 -1.26 -4.89 116.55 117.55 2cug n ASP 52 Ca -0.31 1.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.89 2cug n ASP 52 Cb 1.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 2cug n ASP 52 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cug s PRO 53 N -2.10 4.06 0.00 -0.24 0.04 -1.26 -3.37 135.00 132.13 2cug s PRO 53 Ca 0.60 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2cug s PRO 53 Cb -0.53 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2cug s PRO 53 CO 0.59 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2cug n GLY 54 N 4.20 3.83 0.33 0.56 0.00 -1.26 -4.96 105.19 107.89 2cug n GLY 54 Ca 0.17 -0.91 0.22 0.00 0.00 0.00 0.00 46.02 45.50 2cug n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cug h ALA 55 N 0.00 1.82 0.55 4.61 0.00 -1.92 0.03 119.26 124.36 2cug h ALA 55 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2cug h ALA 55 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2cug h ALA 55 CO 0.00 -0.57 -0.27 1.49 0.00 0.00 0.00 179.25 179.91 2cug h GLU 56 N 0.29 -0.72 -0.63 0.00 4.81 -1.82 -2.65 114.58 113.86 2cug h GLU 56 Ca 0.70 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 60.04 2cug h GLU 56 Cb 1.58 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 31.05 2cug h GLU 56 CO -0.63 -0.46 -0.37 -3.47 -0.73 0.00 0.00 179.01 173.35 2cug n ASP 57 N -5.39 -0.67 0.05 1.04 -0.08 -0.01 -0.41 116.55 111.08 2cug n ASP 57 Ca -0.12 1.30 -0.12 0.00 -1.51 0.00 0.00 54.79 54.34 2cug n ASP 57 Cb 0.31 -0.24 -0.05 0.00 2.34 0.00 0.00 41.12 43.49 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2cug h ARG 58 N 0.00 -0.44 -0.70 -0.67 9.65 -1.53 -2.47 114.38 118.22 2cug h ARG 58 Ca 0.10 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.12 2cug h ARG 58 Cb 0.26 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 28.81 2cug h ARG 58 CO -0.59 -0.29 -0.37 0.35 2.80 0.00 0.00 179.97 181.86 2cug h PHE 59 N -0.46 -1.06 -0.86 2.20 3.04 -0.36 0.22 116.94 119.67 2cug h PHE 59 Ca 0.07 0.08 0.22 0.00 3.98 0.00 0.00 57.97 62.33 2cug h PHE 59 Cb 0.56 0.56 -0.14 0.00 2.56 0.00 0.00 35.95 39.49 2cug h PHE 59 CO -0.36 -0.40 0.16 0.82 -2.02 0.00 0.00 178.31 176.51 2cug h ILE 60 N -0.13 0.28 -0.29 1.41 2.04 -0.52 0.18 117.51 120.49 2cug h ILE 60 Ca 0.25 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 2cug h ILE 60 Cb 0.56 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2cug h ILE 60 CO -0.77 0.03 0.07 1.56 0.00 0.00 0.00 178.15 179.04 2cug h GLN 61 N 0.16 0.47 0.52 2.37 4.20 -0.44 -2.19 115.11 120.19 2cug h GLN 61 Ca 0.53 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 59.10 2cug h GLN 61 Cb 1.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 2cug h GLN 61 CO -0.69 0.55 -0.45 0.82 -0.67 0.00 0.00 178.83 178.39 2cug h ILE 62 N 0.30 0.00 -0.69 2.54 2.04 0.40 0.36 117.51 122.45 2cug h ILE 62 Ca 0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.09 2cug h ILE 62 Cb 0.30 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.27 2cug h ILE 62 CO 0.00 0.00 0.13 -1.28 0.00 0.00 0.00 178.15 177.00 2cug h SER 63 N -0.96 -0.06 -0.53 1.72 0.87 -1.14 0.15 113.55 113.60 2cug h SER 63 Ca -0.07 0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 2cug h SER 63 Cb 0.81 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 2cug h SER 63 CO -0.02 -0.05 0.13 0.11 -0.53 0.00 0.00 176.83 176.48 2cug h LYS 64 N 0.23 0.90 0.25 2.24 1.57 -1.09 0.26 116.57 120.93 2cug h LYS 64 Ca 0.38 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2cug h LYS 64 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2cug h LYS 64 CO -0.50 0.81 -0.12 0.00 -0.57 0.00 0.00 179.45 179.08 2cug h ALA 65 N 1.28 -0.33 -0.14 3.86 0.00 0.23 -3.08 119.26 121.08 2cug h ALA 65 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2cug h ALA 65 Cb 0.32 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2cug h ALA 65 CO 0.00 -0.58 -0.01 -0.92 0.00 0.00 0.00 179.25 177.74 2cug h TYR 66 N -0.54 0.27 -0.93 0.00 3.20 -0.88 -3.18 116.97 114.91 2cug h TYR 66 Ca -0.03 -0.05 0.17 0.00 3.14 0.00 0.00 58.73 61.96 2cug h TYR 66 Cb 0.40 -0.07 -0.17 0.00 1.54 0.00 0.00 36.73 38.43 2cug h TYR 66 CO -0.00 0.50 -0.28 0.39 -1.64 0.00 0.00 178.16 177.13 2cug n GLU 67 N -4.75 -0.13 0.01 1.82 1.02 0.90 0.30 120.64 119.81 2cug n GLU 67 Ca -0.06 1.45 -0.10 0.00 -0.02 0.00 0.00 57.16 58.43 2cug n GLU 67 Cb 0.22 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 2cug n GLU 67 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2cug h ILE 68 N 0.00 0.40 0.62 -3.67 2.04 -1.51 -0.65 117.51 114.74 2cug h ILE 68 Ca 0.41 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.24 2cug h ILE 68 Cb 0.64 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2cug h ILE 68 CO -0.95 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 176.83 2cug h LEU 69 N -0.33 -0.70 -0.92 1.44 3.38 -0.40 0.25 115.31 118.03 2cug h LEU 69 Ca 0.10 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.32 2cug h LEU 69 Cb 0.47 0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.23 2cug h LEU 69 CO -0.31 -0.40 -0.06 -0.24 0.09 0.00 0.00 178.44 177.52 2cug n SER 70 N -4.80 -0.18 -4.64 -0.43 2.88 0.15 -3.98 113.62 102.62 2cug n SER 70 Ca -0.10 1.57 -0.43 0.00 -1.33 0.00 0.00 58.87 58.58 2cug n SER 70 Cb 0.33 -0.54 -0.02 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 -5.08 6.77 0.27 -3.46 0.01 -0.26 -4.91 114.94 108.29 2cug s ASN 71 Ca -0.13 1.28 -0.01 0.00 -0.71 0.00 0.00 52.86 53.29 2cug s ASN 71 Cb 0.26 -2.54 0.48 0.00 0.41 0.00 0.00 41.25 39.86 2cug s ASN 71 CO 0.72 -0.98 1.84 -0.08 -1.51 0.00 0.00 177.10 177.09 2cug h GLU 72 N 8.85 0.97 0.91 -0.60 4.81 -1.82 1.00 114.58 128.70 2cug h GLU 72 Ca -0.25 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 2cug h GLU 72 Cb 1.09 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2cug h GLU 72 CO 1.02 0.64 -0.49 1.49 -0.73 0.00 0.00 179.01 180.94 2cug h GLU 73 N 1.00 -1.24 0.30 1.92 4.81 -1.90 -1.35 114.58 118.12 2cug h GLU 73 Ca 0.46 0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2cug h GLU 73 Cb 0.37 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2cug h GLU 73 CO -0.24 -0.82 -0.26 0.87 -0.73 0.00 0.00 179.01 177.83 2cug h LYS 74 N -1.28 -0.56 -0.71 1.92 6.56 -1.68 -0.33 116.57 120.49 2cug h LYS 74 Ca -0.12 0.04 0.13 0.00 -1.06 0.00 0.00 60.65 59.63 2cug h LYS 74 Cb 1.00 0.13 -0.13 0.00 -0.57 0.00 0.00 32.23 32.66 2cug h LYS 74 CO 0.17 -0.37 -0.31 -0.09 -2.06 0.00 0.00 179.45 176.79 2cug h ARG 75 N -0.58 -0.09 0.70 3.15 2.43 0.21 0.11 114.38 120.32 2cug h ARG 75 Ca -0.02 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2cug h ARG 75 Cb 0.52 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2cug h ARG 75 CO -0.03 -0.06 -0.34 1.15 -1.51 0.00 0.00 179.97 179.18 2cug h THR 76 N -0.10 0.00 -0.96 0.20 2.02 -1.01 -1.53 112.91 111.53 2cug h THR 76 Ca 0.29 -0.07 0.23 0.00 0.77 0.00 0.00 66.41 67.62 2cug h THR 76 Cb 0.56 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.79 2cug h THR 76 CO -0.76 0.00 -0.09 -1.13 0.37 0.00 0.00 175.52 173.91 2cug h ASN 77 N -1.01 -0.64 -0.25 4.18 -1.24 -0.55 0.50 115.58 116.56 2cug h ASN 77 Ca -0.10 0.28 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2cug h ASN 77 Cb 0.72 0.52 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 2cug h ASN 77 CO 0.16 -0.33 0.13 0.22 -1.29 0.00 0.00 177.43 176.33 2cug h TYR 78 N 0.01 0.34 0.82 0.67 3.20 -0.71 0.40 116.97 121.70 2cug h TYR 78 Ca 0.53 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.35 2cug h TYR 78 Cb 0.97 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.14 2cug h TYR 78 CO -0.60 0.29 -0.40 -0.44 -1.64 0.00 0.00 178.16 175.38 2cug h ASP 79 N 0.28 -0.94 -0.55 -2.11 3.32 0.90 1.47 116.42 118.81 2cug h ASP 79 Ca 0.09 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.23 2cug h ASP 79 Cb 0.07 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 2cug h ASP 79 CO -0.01 -0.66 0.26 0.45 -1.72 0.00 0.00 179.24 177.55 2cug h HIS 80 N -1.12 0.47 0.00 4.55 3.86 -0.67 -0.64 115.15 121.60 2cug h HIS 80 Ca -0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 2cug h HIS 80 Cb 0.85 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 2cug h HIS 80 CO 0.04 0.20 -0.10 -0.92 0.86 0.00 0.00 177.93 178.01 2cug h TYR 81 N 0.49 0.00 0.00 2.45 5.03 -0.15 -3.47 116.97 121.33 2cug h TYR 81 Ca 0.25 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.56 2cug h TYR 81 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.48 2cug h TYR 81 CO -0.12 0.10 0.00 0.41 -1.32 0.00 0.00 178.16 177.24 2cug n GLY 82 N 0.31 3.05 3.36 1.82 0.00 0.50 -4.94 105.19 109.30 2cug n GLY 82 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.15 -0.39 0.42 1.61 1.04 -0.86 -4.86 113.70 109.51 2cug s SER 83 Ca 0.00 0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 2cug s SER 83 Cb 0.00 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2cug s SER 83 CO 0.00 -0.53 0.71 -0.83 0.98 0.00 0.00 173.24 173.57 2cug s GLY 84 N -1.31 1.58 0.23 7.32 0.00 -1.26 -4.61 107.32 109.27 2cug s GLY 84 Ca -0.12 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 2cug s GLY 84 CO 0.06 -0.40 1.28 2.56 0.00 0.00 0.00 173.10 176.60 2cug s PRO 85 N -4.38 4.41 0.58 2.90 0.04 -1.26 -4.87 135.00 132.43 2cug s PRO 85 Ca 0.46 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.35 2cug s PRO 85 Cb -0.10 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2cug s PRO 85 CO 0.39 -0.19 1.27 0.45 0.04 0.00 0.00 177.00 178.96 2cug s SER 86 N 0.07 5.14 -0.43 6.66 0.15 -1.26 -4.90 113.70 119.13 2cug s SER 86 Ca 0.54 2.55 -0.28 0.00 0.70 0.00 0.00 55.95 59.46 2cug s SER 86 Cb -0.36 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.32 2cug s SER 86 CO 0.41 -1.64 1.68 -0.44 1.20 0.00 0.00 173.24 174.45 2cug s SER 87 N -1.34 5.89 0.00 5.45 0.01 -1.26 -5.20 113.70 117.24 2cug s SER 87 Ca 0.76 0.89 0.32 0.00 1.31 0.00 0.00 55.95 59.23 2cug s SER 87 Cb -0.35 -2.53 1.88 0.00 0.21 0.00 0.00 66.02 65.23 2cug s SER 87 CO 0.39 -1.78 2.21 0.61 0.41 0.00 0.00 173.24 175.08