#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 -1.47 -4.82 1.61 0.87 -2.15 -3.44 113.55 104.15 2cug h SER 2 Ca 0.00 0.28 0.11 0.00 -1.23 0.00 0.00 61.79 60.96 2cug h SER 2 Cb 0.00 0.73 -0.13 0.00 -0.44 0.00 0.00 62.40 62.55 2cug h SER 2 CO 0.00 -0.30 0.47 -0.94 -0.53 0.00 0.00 176.83 175.53 2cug s SER 3 N -5.29 -0.34 0.00 6.23 1.04 -1.26 -5.16 113.70 108.92 2cug s SER 3 Ca -0.14 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2cug s SER 3 Cb 0.17 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2cug s SER 3 CO 0.69 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2cug n GLY 4 N -0.30 -0.67 3.53 7.32 0.00 -1.26 -5.18 105.19 108.63 2cug n GLY 4 Ca -0.09 0.87 -0.10 0.00 0.00 0.00 0.00 46.02 46.70 2cug n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cug s SER 5 N 0.00 -0.40 0.02 1.61 0.01 -1.26 -5.18 113.70 108.49 2cug s SER 5 Ca 0.00 0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 2cug s SER 5 Cb 0.00 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.62 2cug s SER 5 CO 0.00 -0.53 0.23 -0.55 0.41 0.00 0.00 173.24 172.79 2cug s SER 6 N -1.89 -0.05 -0.37 2.44 0.15 -1.26 -5.08 113.70 107.64 2cug s SER 6 Ca 0.01 -0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.59 2cug s SER 6 Cb -0.01 0.28 0.41 0.00 -1.71 0.00 0.00 66.02 64.99 2cug s SER 6 CO -0.04 -0.48 1.34 0.61 1.20 0.00 0.00 173.24 175.87 2cug n GLY 7 N 1.03 1.51 3.61 9.45 0.00 -1.26 -5.10 105.19 114.43 2cug n GLY 7 Ca -0.21 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2cug n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2cug s ILE 8 N -0.33 3.23 -0.22 -0.61 1.10 -1.26 -4.94 121.20 118.17 2cug s ILE 8 Ca 0.20 0.24 -0.07 0.00 -0.51 0.00 0.00 60.65 60.51 2cug s ILE 8 Cb 0.41 -3.29 0.10 0.00 0.15 0.00 0.00 42.46 39.83 2cug s ILE 8 CO -0.08 -0.17 0.45 -0.76 -2.11 0.00 0.00 174.94 172.26 2cug s LEU 9 N 7.33 -0.72 0.78 8.50 1.43 -1.26 -5.16 118.68 129.58 2cug s LEU 9 Ca 0.90 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.89 2cug s LEU 9 Cb -0.29 1.47 0.06 0.00 0.03 0.00 0.00 46.19 47.46 2cug s LEU 9 CO 0.35 -0.24 1.12 -1.10 0.23 0.00 0.00 176.35 176.71 2cug s GLN 10 N 2.65 2.21 0.19 1.70 -1.52 -1.26 -5.09 119.66 118.53 2cug s GLN 10 Ca -0.01 0.42 -0.15 0.00 -1.95 0.00 0.00 55.36 53.67 2cug s GLN 10 Cb -0.12 -1.95 0.02 0.00 -0.22 0.00 0.00 33.01 30.73 2cug s GLN 10 CO -0.14 -1.48 0.45 0.45 -0.25 0.00 0.00 175.29 174.31 2cug s SER 11 N -4.22 -0.16 -0.21 5.90 0.15 -1.26 -5.16 113.70 108.74 2cug s SER 11 Ca 0.60 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 56.57 2cug s SER 11 Cb -0.13 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 64.81 2cug s SER 11 CO 0.52 -1.01 0.44 -1.48 1.20 0.00 0.00 173.24 172.91 2cug s LEU 12 N -2.91 -0.69 0.30 3.45 2.34 -1.26 -5.16 118.68 114.75 2cug s LEU 12 Ca 0.12 1.03 -0.09 0.00 0.06 0.00 0.00 54.13 55.25 2cug s LEU 12 Cb 0.00 1.43 -0.07 0.00 -0.56 0.00 0.00 46.19 47.00 2cug s LEU 12 CO -0.02 -0.23 0.62 -0.44 -1.06 0.00 0.00 176.35 175.23 2cug s SER 13 N 2.64 6.57 -0.06 1.48 0.01 -1.26 -5.01 113.70 118.06 2cug s SER 13 Ca -0.02 0.96 -0.03 0.00 1.31 0.00 0.00 55.95 58.17 2cug s SER 13 Cb -0.12 -2.24 -0.27 0.00 0.21 0.00 0.00 66.02 63.60 2cug s SER 13 CO -0.13 -0.20 0.59 0.00 0.41 0.00 0.00 173.24 173.91 2cug h ALA 14 N 1.98 0.40 -1.65 1.44 0.00 -1.96 -3.48 119.26 115.99 2cug h ALA 14 Ca -0.47 -1.29 -0.56 0.00 0.00 0.00 0.00 54.91 52.58 2cug h ALA 14 Cb 1.18 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 2cug h ALA 14 CO 0.67 1.27 -0.58 -0.48 0.00 0.00 0.00 179.25 180.12 2cug s LEU 15 N -6.91 2.42 0.19 0.00 2.34 -1.26 -5.03 118.68 110.44 2cug s LEU 15 Ca -0.15 -1.44 -0.09 0.00 0.06 0.00 0.00 54.13 52.51 2cug s LEU 15 Cb 0.07 -0.58 0.28 0.00 -0.56 0.00 0.00 46.19 45.40 2cug s LEU 15 CO 0.81 -0.62 1.17 0.47 -1.06 0.00 0.00 176.35 177.12 2cug n ASP 16 N -0.92 -0.36 -3.73 1.48 8.00 -1.26 -4.48 116.55 115.28 2cug n ASP 16 Ca -0.06 1.30 -0.13 0.00 0.71 0.00 0.00 54.79 56.61 2cug n ASP 16 Cb 0.67 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 2cug n ASP 16 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2cug s PHE 17 N -5.85 -0.39 0.16 1.24 -0.12 -1.26 -5.08 117.98 106.69 2cug s PHE 17 Ca -0.11 0.88 -0.19 0.00 -0.05 0.00 0.00 56.93 57.46 2cug s PHE 17 Cb 0.18 0.15 -0.07 0.00 -0.63 0.00 0.00 43.02 42.65 2cug s PHE 17 CO 0.56 -0.28 0.64 -0.51 -0.05 0.00 0.00 175.22 175.59 2cug s ASP 18 N -0.25 7.04 -0.02 1.98 1.11 -1.26 -5.01 116.67 120.25 2cug s ASP 18 Ca -0.04 1.32 -0.25 0.00 0.18 0.00 0.00 52.55 53.75 2cug s ASP 18 Cb -0.03 -2.38 -0.20 0.00 1.07 0.00 0.00 42.92 41.38 2cug s ASP 18 CO 0.02 0.13 1.23 1.55 1.18 0.00 0.00 175.17 179.28 2cug h PRO 19 N 3.84 -0.06 -0.78 8.23 0.13 -1.96 -2.37 132.00 139.02 2cug h PRO 19 Ca -0.48 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2cug h PRO 19 Cb 1.20 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2cug h PRO 19 CO 0.65 0.41 0.45 1.88 -0.23 0.00 0.00 178.00 181.16 2cug h TYR 20 N -0.55 0.82 -0.69 1.56 0.05 -1.87 -0.41 116.97 115.88 2cug h TYR 20 Ca -0.01 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 2cug h TYR 20 Cb 0.49 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 2cug h TYR 20 CO 0.09 0.36 0.13 0.00 -1.05 0.00 0.00 178.16 177.69 2cug h ARG 21 N 0.78 1.13 0.64 4.88 2.47 -1.75 0.17 114.38 122.71 2cug h ARG 21 Ca 0.37 -0.29 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2cug h ARG 21 Cb 0.29 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2cug h ARG 21 CO -0.22 1.01 -0.31 0.28 0.56 0.00 0.00 179.97 181.29 2cug h VAL 22 N 1.06 0.25 -0.32 2.04 2.07 -0.74 -3.09 116.25 117.51 2cug h VAL 22 Ca 0.21 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2cug h VAL 22 Cb 0.42 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2cug h VAL 22 CO 0.01 0.03 0.11 -0.07 0.02 0.00 0.00 177.57 177.67 2cug h LEU 23 N -1.06 0.41 -0.28 2.57 3.38 -1.13 -3.47 115.31 115.73 2cug h LEU 23 Ca -0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cug h LEU 23 Cb 0.70 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2cug h LEU 23 CO 0.14 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.68 2cug n GLY 24 N -1.21 0.89 3.33 0.83 0.00 0.39 -4.92 105.19 104.49 2cug n GLY 24 Ca 0.02 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.07 0.67 0.49 1.61 -7.23 0.08 -5.03 120.40 108.93 2cug s VAL 25 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2cug s VAL 25 Cb 0.00 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 2cug s VAL 25 CO 0.00 -0.07 0.15 -0.44 -0.31 0.00 0.00 175.10 174.43 2cug s SER 26 N -3.32 4.31 0.35 4.85 0.01 -1.26 -4.33 113.70 114.32 2cug s SER 26 Ca 0.36 -1.40 0.10 0.00 1.31 0.00 0.00 55.95 56.31 2cug s SER 26 Cb 0.08 0.23 0.85 0.00 0.21 0.00 0.00 66.02 67.38 2cug s SER 26 CO 0.13 -0.84 1.84 0.08 0.41 0.00 0.00 173.24 174.86 2cug h ARG 27 N 1.22 0.64 -0.09 12.44 0.11 -2.02 0.26 114.38 126.95 2cug h ARG 27 Ca -0.42 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 59.65 2cug h ARG 27 Cb 1.29 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2cug h ARG 27 CO 0.69 0.42 0.11 1.15 0.10 0.00 0.00 179.97 182.45 2cug h THR 28 N 0.66 0.43 -2.93 0.08 2.02 -2.06 -3.41 112.91 107.69 2cug h THR 28 Ca 0.48 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 67.13 2cug h THR 28 Cb 0.85 0.91 0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2cug h THR 28 CO -0.24 0.00 0.79 0.00 0.37 0.00 0.00 175.52 176.44 2cug s ALA 29 N -4.57 3.61 0.40 6.16 0.00 0.93 -5.02 121.76 123.27 2cug s ALA 29 Ca -0.05 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.08 2cug s ALA 29 Cb 0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2cug s ALA 29 CO 0.52 -0.75 0.36 -1.12 0.00 0.00 0.00 175.76 174.77 2cug s SER 30 N 1.44 5.09 0.39 0.00 0.01 -1.26 -4.79 113.70 114.57 2cug s SER 30 Ca 0.66 -0.70 0.32 0.00 1.31 0.00 0.00 55.95 57.53 2cug s SER 30 Cb -0.36 -0.64 1.26 0.00 0.21 0.00 0.00 66.02 66.48 2cug s SER 30 CO 0.30 -0.60 1.23 0.00 0.41 0.00 0.00 173.24 174.58 2cug n GLN 31 N -1.51 -0.02 0.25 12.44 1.13 -1.26 0.36 117.38 128.78 2cug n GLN 31 Ca 0.03 0.93 -0.11 0.00 -1.94 0.00 0.00 57.00 55.91 2cug n GLN 31 Cb 0.61 -1.96 -0.05 0.00 0.11 0.00 0.00 30.24 28.96 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 1.05 -0.76 -0.50 -1.58 0.00 -1.98 0.25 119.26 115.74 2cug h ALA 32 Ca 0.71 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.52 2cug h ALA 32 Cb 2.56 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.57 2cug h ALA 32 CO -0.21 -0.71 0.23 0.22 0.00 0.00 0.00 179.25 178.78 2cug h ASP 33 N -1.08 0.31 -0.02 0.00 3.58 -0.45 -1.14 116.42 117.63 2cug h ASP 33 Ca -0.07 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2cug h ASP 33 Cb 0.53 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 2cug h ASP 33 CO 0.12 0.21 0.01 0.40 -2.88 0.00 0.00 179.24 177.10 2cug h ILE 34 N 0.45 1.07 0.37 2.25 2.04 -1.01 -0.64 117.51 122.04 2cug h ILE 34 Ca 0.23 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2cug h ILE 34 Cb 0.17 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2cug h ILE 34 CO -0.18 0.05 -0.46 0.50 0.00 0.00 0.00 178.15 178.06 2cug h LYS 35 N -0.05 -0.83 -0.85 2.37 3.11 -0.59 0.31 116.57 120.04 2cug h LYS 35 Ca 0.01 0.06 0.14 0.00 -2.81 0.00 0.00 60.65 58.04 2cug h LYS 35 Cb 0.08 0.19 -0.09 0.00 -1.00 0.00 0.00 32.23 31.40 2cug h LYS 35 CO -0.00 -0.55 0.44 -0.22 -2.81 0.00 0.00 179.45 176.31 2cug h LYS 36 N -0.86 0.62 -0.41 1.90 3.64 -1.22 0.61 116.57 120.85 2cug h LYS 36 Ca -0.04 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2cug h LYS 36 Cb 0.77 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2cug h LYS 36 CO -0.11 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 177.49 2cug h ALA 37 N 1.55 1.24 0.44 5.00 0.00 -0.58 -0.81 119.26 126.10 2cug h ALA 37 Ca 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2cug h ALA 37 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2cug h ALA 37 CO -0.35 0.51 -0.21 -0.92 0.00 0.00 0.00 179.25 178.28 2cug h TYR 38 N 0.62 -0.55 -0.81 0.00 3.20 0.18 -1.69 116.97 117.93 2cug h TYR 38 Ca 0.13 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.11 2cug h TYR 38 Cb 0.39 0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.75 2cug h TYR 38 CO 0.02 -0.34 0.42 0.87 -1.64 0.00 0.00 178.16 177.48 2cug h LYS 39 N -0.82 0.63 -0.74 1.82 1.57 -1.28 0.30 116.57 118.05 2cug h LYS 39 Ca -0.06 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2cug h LYS 39 Cb 0.45 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2cug h LYS 39 CO 0.10 0.41 0.47 -0.22 -0.57 0.00 0.00 179.45 179.64 2cug h LYS 40 N 0.64 0.89 -0.17 3.15 3.64 -1.18 0.37 116.57 123.91 2cug h LYS 40 Ca 0.42 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.54 2cug h LYS 40 Cb 0.53 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2cug h LYS 40 CO -0.32 0.59 -0.71 -0.07 -2.27 0.00 0.00 179.45 176.67 2cug h LEU 41 N 0.92 0.84 -0.71 5.20 3.38 -0.19 -1.00 115.31 123.75 2cug h LEU 41 Ca 0.29 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 2cug h LEU 41 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2cug h LEU 41 CO -0.11 1.31 -0.23 0.00 0.09 0.00 0.00 178.44 179.51 2cug h ALA 42 N 0.68 0.89 -0.04 1.53 0.00 -0.03 0.29 119.26 122.59 2cug h ALA 42 Ca -0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2cug h ALA 42 Cb 1.32 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2cug h ALA 42 CO 0.14 0.63 -0.51 0.00 0.00 0.00 0.00 179.25 179.51 2cug h ARG 43 N 0.66 0.41 0.16 0.00 3.08 -0.28 -0.64 114.38 117.77 2cug h ARG 43 Ca 0.09 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 2cug h ARG 43 Cb 0.73 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2cug h ARG 43 CO 0.06 1.05 -0.08 0.93 -1.07 0.00 0.00 179.97 180.85 2cug h GLU 44 N -0.07 -0.21 -0.49 0.04 4.39 -1.16 -3.07 114.58 114.00 2cug h GLU 44 Ca -0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2cug h GLU 44 Cb 1.19 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2cug h GLU 44 CO 0.10 0.19 0.00 0.91 -1.16 0.00 0.00 179.01 179.06 2cug n TRP 45 N -4.97 0.30 -1.74 4.33 7.02 0.10 -4.85 117.44 117.63 2cug n TRP 45 Ca -0.09 -0.12 -0.42 0.00 -1.02 0.00 0.00 57.50 55.85 2cug n TRP 45 Cb 0.26 -0.08 -0.01 0.00 -2.42 0.00 0.00 31.31 29.06 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 0.03 2.75 0.35 -5.99 -0.00 -0.25 -4.53 115.22 107.58 2cug n HIS 46 Ca 0.05 0.36 0.14 0.00 0.46 0.00 0.00 57.72 58.74 2cug n HIS 46 Cb 0.27 -2.54 0.59 0.00 -0.12 0.00 0.00 29.99 28.18 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 3.95 0.00 -0.67 1.57 0.13 -1.84 -2.00 132.00 133.13 2cug h PRO 47 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2cug h PRO 47 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2cug h PRO 47 CO 0.73 0.00 0.43 0.22 -0.23 0.00 0.00 178.00 179.15 2cug h ASP 48 N 0.00 0.72 0.12 1.44 1.82 -1.95 -3.16 116.42 115.42 2cug h ASP 48 Ca 0.00 -0.01 -0.35 0.00 -0.39 0.00 0.00 57.03 56.28 2cug h ASP 48 Cb 0.41 -0.17 -0.07 0.00 0.68 0.00 0.00 39.33 40.19 2cug h ASP 48 CO 0.00 0.51 -2.23 1.17 -1.61 0.00 0.00 179.24 177.09 2cug n LYS 49 N -4.65 0.68 -2.30 0.28 3.00 -1.17 -4.91 118.16 109.07 2cug n LYS 49 Ca 0.06 0.07 -0.42 0.00 -0.00 0.00 0.00 58.31 58.02 2cug n LYS 49 Cb 0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 35.03 33.47 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2cug s ASN 50 N -5.64 6.91 -0.09 3.14 0.01 -0.76 -4.88 114.94 113.63 2cug s ASN 50 Ca -0.09 1.99 0.08 0.00 -0.71 0.00 0.00 52.86 54.13 2cug s ASN 50 Cb 0.06 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 39.06 2cug s ASN 50 CO 0.83 -0.69 0.02 1.17 -1.51 0.00 0.00 177.10 176.92 2cug n LYS 51 N 5.52 2.35 -1.66 -0.60 3.00 -1.26 -4.72 118.16 120.79 2cug n LYS 51 Ca 0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.03 2cug n LYS 51 Cb 0.44 -1.23 0.02 0.00 0.00 0.00 0.00 35.03 34.26 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2cug n ASP 52 N -2.37 1.81 -4.64 3.14 9.92 -1.26 -4.88 116.55 118.26 2cug n ASP 52 Ca -0.15 1.03 -0.43 0.00 -0.53 0.00 0.00 54.79 54.71 2cug n ASP 52 Cb 0.79 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.81 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 -2.25 3.96 0.00 -0.24 0.04 -1.26 -3.18 135.00 132.07 2cug s PRO 53 Ca 0.65 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2cug s PRO 53 Cb -0.51 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2cug s PRO 53 CO 0.55 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2cug n GLY 54 N 4.38 2.84 0.40 0.56 0.00 -1.26 -4.99 105.19 107.11 2cug n GLY 54 Ca 0.18 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.16 -0.75 4.61 0.00 -1.93 -0.59 119.26 120.44 2cug h ALA 55 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2cug h ALA 55 Cb 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2cug h ALA 55 CO 0.00 -0.77 -0.56 0.93 0.00 0.00 0.00 179.25 178.85 2cug h GLU 56 N -0.03 -0.14 -0.81 0.00 3.07 -1.85 -0.89 114.58 113.93 2cug h GLU 56 Ca 0.26 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.21 2cug h GLU 56 Cb 0.53 0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 28.37 2cug h GLU 56 CO -0.93 -0.09 -0.45 -3.47 -1.40 0.00 0.00 179.01 172.66 2cug n ASP 57 N -5.22 -0.81 -0.05 1.42 -0.08 -0.24 0.06 116.55 111.63 2cug n ASP 57 Ca -0.00 1.43 -0.09 0.00 -1.51 0.00 0.00 54.79 54.62 2cug n ASP 57 Cb 0.28 -0.21 -0.03 0.00 2.34 0.00 0.00 41.12 43.51 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 -0.30 0.01 -0.67 9.65 -1.10 -2.02 114.38 119.94 2cug h ARG 58 Ca 0.15 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 2cug h ARG 58 Cb 0.35 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 2cug h ARG 58 CO -0.77 -0.20 -0.40 0.35 2.80 0.00 0.00 179.97 181.75 2cug h PHE 59 N -0.32 -1.13 -0.96 2.20 3.57 0.11 0.20 116.94 120.61 2cug h PHE 59 Ca 0.13 0.04 0.30 0.00 3.53 0.00 0.00 57.97 61.96 2cug h PHE 59 Cb 0.53 0.50 -0.15 0.00 2.79 0.00 0.00 35.95 39.62 2cug h PHE 59 CO -0.46 -0.48 0.45 0.82 -2.23 0.00 0.00 178.31 176.41 2cug h ILE 60 N -0.56 0.29 0.20 1.41 2.04 -0.39 -0.72 117.51 119.77 2cug h ILE 60 Ca 0.05 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2cug h ILE 60 Cb 0.64 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2cug h ILE 60 CO -0.30 0.05 -0.09 1.56 0.00 0.00 0.00 178.15 179.36 2cug h GLN 61 N 0.27 -0.25 -0.94 2.37 4.20 -0.53 -2.95 115.11 117.28 2cug h GLN 61 Ca 0.68 0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.68 2cug h GLN 61 Cb 1.50 0.06 -0.17 0.00 0.30 0.00 0.00 27.48 29.17 2cug h GLN 61 CO -0.64 0.12 0.16 0.82 -0.67 0.00 0.00 178.83 178.62 2cug h ILE 62 N -0.92 0.13 -0.61 2.54 2.04 0.60 0.74 117.51 122.02 2cug h ILE 62 Ca -0.03 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2cug h ILE 62 Cb 0.49 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2cug h ILE 62 CO 0.04 0.01 0.13 -1.28 0.00 0.00 0.00 178.15 177.05 2cug h SER 63 N 0.08 0.95 -0.25 1.72 0.87 -1.25 -2.86 113.55 112.80 2cug h SER 63 Ca 0.61 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2cug h SER 63 Cb 1.29 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2cug h SER 63 CO -0.81 0.95 0.09 0.11 -0.53 0.00 0.00 176.83 176.65 2cug h LYS 64 N 0.91 0.39 -0.52 2.24 1.79 0.52 0.03 116.57 121.94 2cug h LYS 64 Ca 0.19 -0.08 0.10 0.00 -2.18 0.00 0.00 60.65 58.68 2cug h LYS 64 Cb 0.39 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.89 2cug h LYS 64 CO 0.01 0.45 -0.01 0.00 -1.08 0.00 0.00 179.45 178.81 2cug h ALA 65 N 0.92 0.48 -0.23 3.86 0.00 -0.68 -2.00 119.26 121.61 2cug h ALA 65 Ca 0.08 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2cug h ALA 65 Cb 0.22 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2cug h ALA 65 CO -0.00 -0.39 -0.23 -0.92 0.00 0.00 0.00 179.25 177.70 2cug h TYR 66 N 0.10 0.68 -0.97 0.00 3.20 -1.38 -3.15 116.97 115.45 2cug h TYR 66 Ca 0.26 -0.20 0.38 0.00 3.14 0.00 0.00 58.73 62.31 2cug h TYR 66 Cb 0.40 -0.14 -0.18 0.00 1.54 0.00 0.00 36.73 38.35 2cug h TYR 66 CO -0.34 0.90 0.41 0.39 -1.64 0.00 0.00 178.16 177.89 2cug n GLU 67 N -4.38 -0.06 0.18 1.82 1.02 -0.01 0.14 120.64 119.34 2cug n GLU 67 Ca -0.05 1.36 -0.07 0.00 -0.02 0.00 0.00 57.16 58.38 2cug n GLU 67 Cb 0.43 -2.38 -0.04 0.00 -0.02 0.00 0.00 31.44 29.43 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 0.00 0.92 -3.67 2.04 -1.47 -2.98 117.51 112.35 2cug h ILE 68 Ca 0.77 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 66.37 2cug h ILE 68 Cb 1.97 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2cug h ILE 68 CO -0.78 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 176.86 2cug h LEU 69 N -0.71 -1.04 -0.73 1.44 3.38 -1.15 -1.49 115.31 115.02 2cug h LEU 69 Ca -0.05 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2cug h LEU 69 Cb 0.37 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 2cug h LEU 69 CO 0.08 -0.74 -0.20 -0.24 0.09 0.00 0.00 178.44 177.43 2cug n SER 70 N -5.33 -0.29 -4.73 -0.43 2.88 0.36 -4.16 113.62 101.93 2cug n SER 70 Ca -0.15 1.26 -0.42 0.00 -1.33 0.00 0.00 58.87 58.23 2cug n SER 70 Cb 0.49 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 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 -5.20 6.99 0.03 -3.46 -0.87 -1.12 -4.95 114.94 106.36 2cug s ASN 71 Ca -0.11 2.23 -0.25 0.00 -1.57 0.00 0.00 52.86 53.16 2cug s ASN 71 Cb 0.19 -2.60 -0.18 0.00 -0.02 0.00 0.00 41.25 38.65 2cug s ASN 71 CO 0.56 -0.48 1.44 -0.08 -2.57 0.00 0.00 177.10 175.97 2cug h GLU 72 N 5.98 -0.11 -0.07 -0.60 4.81 -1.83 0.67 114.58 123.43 2cug h GLU 72 Ca -0.43 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 2cug h GLU 72 Cb 1.21 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2cug h GLU 72 CO 0.79 0.17 -0.04 1.49 -0.73 0.00 0.00 179.01 180.69 2cug h GLU 73 N -0.38 -0.04 -0.12 1.92 4.57 -1.92 -0.14 114.58 118.47 2cug h GLU 73 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2cug h GLU 73 Cb 0.33 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2cug h GLU 73 CO 0.02 -0.03 0.07 0.87 -1.18 0.00 0.00 179.01 178.77 2cug h LYS 74 N -0.04 0.16 0.41 1.92 1.57 -1.75 -1.99 116.57 116.85 2cug h LYS 74 Ca 0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2cug h LYS 74 Cb 0.10 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2cug h LYS 74 CO -0.10 0.15 -0.45 -0.09 -0.57 0.00 0.00 179.45 178.40 2cug h ARG 75 N 0.13 -0.85 -0.29 3.15 2.43 0.24 -2.88 114.38 116.31 2cug h ARG 75 Ca 0.04 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2cug h ARG 75 Cb 0.03 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 2cug h ARG 75 CO -0.01 -0.56 -0.41 1.15 -1.51 0.00 0.00 179.97 178.63 2cug h THR 76 N -0.88 0.15 -0.90 0.20 2.02 -0.98 -2.16 112.91 110.36 2cug h THR 76 Ca -0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.24 2cug h THR 76 Cb 0.79 0.15 -0.12 0.00 -1.74 0.00 0.00 68.15 67.23 2cug h THR 76 CO -0.09 0.00 -0.48 0.59 0.37 0.00 0.00 175.52 175.91 2cug n ASN 77 N -5.42 -0.85 -0.15 4.18 3.02 -0.75 -0.22 115.26 115.07 2cug n ASN 77 Ca -0.02 1.59 -0.08 0.00 -0.03 0.00 0.00 54.58 56.05 2cug n ASN 77 Cb 0.35 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 2cug n ASN 77 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2cug h TYR 78 N 0.00 -1.03 -0.37 3.10 5.03 -1.19 -1.06 116.97 121.45 2cug h TYR 78 Ca 0.19 0.07 0.08 0.00 2.58 0.00 0.00 58.73 61.64 2cug h TYR 78 Cb 0.41 0.52 -0.08 0.00 1.55 0.00 0.00 36.73 39.13 2cug h TYR 78 CO -0.89 -0.40 -0.20 0.22 -1.32 0.00 0.00 178.16 175.57 2cug h ASP 79 N -0.25 -0.68 -0.77 -2.11 3.58 -0.39 -0.48 116.42 115.31 2cug h ASP 79 Ca 0.18 0.15 0.17 0.00 0.42 0.00 0.00 57.03 57.95 2cug h ASP 79 Cb 0.56 0.36 -0.12 0.00 1.72 0.00 0.00 39.33 41.85 2cug h ASP 79 CO -0.59 -0.23 0.20 0.45 -2.88 0.00 0.00 179.24 176.18 2cug h HIS 80 N -0.14 0.31 0.00 0.28 3.86 0.07 0.69 115.15 120.21 2cug h HIS 80 Ca 0.18 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2cug h HIS 80 Cb 0.43 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 2cug h HIS 80 CO -0.42 -0.10 -0.08 1.88 0.86 0.00 0.00 177.93 180.07 2cug h TYR 81 N 0.27 0.00 -5.67 2.45 0.05 -0.44 -3.47 116.97 110.17 2cug h TYR 81 Ca 0.44 0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.80 2cug h TYR 81 Cb 0.79 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.54 2cug h TYR 81 CO -0.26 0.08 -0.67 0.41 -1.05 0.00 0.00 178.16 176.67 2cug n GLY 82 N 0.07 -0.51 3.68 3.88 0.00 0.24 -1.46 105.19 111.09 2cug n GLY 82 Ca 0.00 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.71 -4.68 -2.02 1.61 2.88 -1.25 -4.99 113.62 102.47 2cug n SER 83 Ca -0.01 -0.66 -0.02 0.00 -1.33 0.00 0.00 58.87 56.86 2cug n SER 83 Cb 0.56 -4.59 -0.00 0.00 -0.75 0.00 0.00 64.21 59.43 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 -1.74 4.14 3.72 0.46 0.00 -0.54 -4.89 105.19 106.34 2cug n GLY 84 Ca -0.06 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.10 4.35 0.41 1.61 0.04 -1.26 -4.99 135.00 133.06 2cug s PRO 85 Ca 0.00 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 2cug s PRO 85 Cb 0.00 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 2cug s PRO 85 CO 0.00 -0.37 1.27 0.45 0.04 0.00 0.00 177.00 178.40 2cug s SER 86 N 0.88 6.32 0.19 6.66 0.15 -1.26 -4.92 113.70 121.71 2cug s SER 86 Ca 0.62 2.58 -0.17 0.00 0.70 0.00 0.00 55.95 59.68 2cug s SER 86 Cb -0.36 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.48 2cug s SER 86 CO 0.32 -0.84 1.62 0.28 1.20 0.00 0.00 173.24 175.83 2cug h SER 87 N 2.62 -0.70 -0.01 5.45 0.02 -2.01 -3.55 113.55 115.36 2cug h SER 87 Ca -0.49 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2cug h SER 87 Cb 1.25 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2cug h SER 87 CO 0.62 -0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.69