#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 -0.00 -4.37 1.61 0.02 -2.15 -3.48 113.55 105.18 2cug h SER 2 Ca 0.00 -0.71 -0.35 0.00 -0.84 0.00 0.00 61.79 59.89 2cug h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2cug h SER 2 CO 0.00 0.85 -0.63 -0.55 -1.14 0.00 0.00 176.83 175.36 2cug s SER 3 N -6.02 1.32 -0.15 3.07 0.15 -1.26 -5.17 113.70 105.65 2cug s SER 3 Ca -0.14 -1.33 -0.31 0.00 0.70 0.00 0.00 55.95 54.87 2cug s SER 3 Cb -0.02 0.13 0.13 0.00 -1.71 0.00 0.00 66.02 64.55 2cug s SER 3 CO 0.50 -0.67 1.08 -0.83 1.20 0.00 0.00 173.24 174.52 2cug s GLY 4 N -3.30 -0.28 0.52 9.45 0.00 -1.26 -5.18 107.32 107.27 2cug s GLY 4 Ca 0.34 1.76 0.09 0.00 0.00 0.00 0.00 44.72 46.91 2cug s GLY 4 CO 0.11 0.72 0.71 -0.45 0.00 0.00 0.00 173.10 174.20 2cug s SER 5 N -1.75 5.31 -0.03 1.64 0.15 -1.26 -5.14 113.70 112.62 2cug s SER 5 Ca 0.05 -0.69 -0.07 0.00 0.70 0.00 0.00 55.95 55.94 2cug s SER 5 Cb -0.01 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.25 2cug s SER 5 CO -0.04 -1.13 0.16 -0.94 1.20 0.00 0.00 173.24 172.49 2cug s SER 6 N -4.55 -0.08 -1.21 5.45 1.04 -1.26 -4.89 113.70 108.21 2cug s SER 6 Ca 0.59 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 57.04 2cug s SER 6 Cb -0.07 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.34 2cug s SER 6 CO 0.37 -0.22 0.89 0.61 0.98 0.00 0.00 173.24 175.87 2cug n GLY 7 N 2.22 -0.33 0.00 7.32 0.00 -1.26 -4.86 105.19 108.28 2cug n GLY 7 Ca -0.18 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.01 2cug n GLY 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cug n ILE 8 N -4.57 0.00 -2.73 -0.61 -0.00 -1.26 -4.78 119.36 105.41 2cug n ILE 8 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.32 2cug n ILE 8 Cb 0.56 -0.47 -0.05 0.00 -0.00 0.00 0.00 39.64 39.69 2cug n ILE 8 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 2cug s LEU 9 N -1.66 4.52 0.13 7.28 1.02 -1.26 -5.05 118.68 123.66 2cug s LEU 9 Ca 0.23 1.82 -0.10 0.00 0.02 0.00 0.00 54.13 56.10 2cug s LEU 9 Cb 0.11 -3.59 -0.06 0.00 0.02 0.00 0.00 46.19 42.66 2cug s LEU 9 CO 0.18 -0.04 0.46 0.00 0.02 0.00 0.00 176.35 176.97 2cug s GLN 10 N -0.16 3.81 0.15 1.70 0.00 -1.26 -5.10 119.66 118.80 2cug s GLN 10 Ca 0.46 0.25 0.10 0.00 -0.00 0.00 0.00 55.36 56.16 2cug s GLN 10 Cb -0.24 -2.90 -0.04 0.00 0.00 0.00 0.00 33.01 29.83 2cug s GLN 10 CO 0.30 0.48 -0.18 -1.54 0.00 0.00 0.00 175.29 174.36 2cug s SER 11 N -1.94 3.85 -0.10 12.60 1.04 -1.26 -4.86 113.70 123.03 2cug s SER 11 Ca 0.38 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 2cug s SER 11 Cb -0.13 -0.51 -0.02 0.00 0.10 0.00 0.00 66.02 65.45 2cug s SER 11 CO 0.20 0.15 0.07 -0.07 0.98 0.00 0.00 173.24 174.56 2cug h LEU 12 N 3.46 0.00 -8.59 2.42 3.38 -1.93 -3.47 115.31 110.57 2cug h LEU 12 Ca -0.49 -0.09 -0.59 0.00 0.09 0.00 0.00 57.88 56.80 2cug h LEU 12 Cb 1.18 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 2cug h LEU 12 CO 0.48 0.55 -0.84 -0.44 0.09 0.00 0.00 178.44 178.27 2cug s SER 13 N -5.61 2.58 0.02 -0.43 0.01 -1.18 -5.14 113.70 103.95 2cug s SER 13 Ca -0.02 -0.55 -0.15 0.00 1.31 0.00 0.00 55.95 56.53 2cug s SER 13 Cb -0.00 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2cug s SER 13 CO 0.06 0.16 0.34 0.00 0.41 0.00 0.00 173.24 174.21 2cug s ALA 14 N -0.85 -0.81 0.92 1.44 0.00 -1.26 -4.46 121.76 116.74 2cug s ALA 14 Ca 0.08 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 2cug s ALA 14 Cb -0.09 0.25 0.17 0.00 0.00 0.00 0.00 23.12 23.44 2cug s ALA 14 CO 0.02 -0.38 1.28 -0.48 0.00 0.00 0.00 175.76 176.21 2cug s LEU 15 N -1.82 2.66 0.17 0.00 2.34 -1.26 -4.85 118.68 115.93 2cug s LEU 15 Ca -0.08 0.40 -0.19 0.00 0.06 0.00 0.00 54.13 54.32 2cug s LEU 15 Cb -0.02 -2.56 0.10 0.00 -0.56 0.00 0.00 46.19 43.15 2cug s LEU 15 CO -0.01 -2.51 1.63 0.44 -1.06 0.00 0.00 176.35 174.84 2cug h ASP 16 N -1.48 -0.73 -4.99 1.48 3.32 -2.03 -3.44 116.42 108.54 2cug h ASP 16 Ca -0.45 0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 2cug h ASP 16 Cb 1.26 0.39 -0.20 0.00 0.22 0.00 0.00 39.33 41.00 2cug h ASP 16 CO 0.45 -0.24 -0.20 0.72 -1.72 0.00 0.00 179.24 178.25 2cug s PHE 17 N -6.12 -0.26 0.05 4.55 -0.12 -1.26 -5.16 117.98 109.66 2cug s PHE 17 Ca -0.14 0.40 -0.10 0.00 -0.05 0.00 0.00 56.93 57.03 2cug s PHE 17 Cb 0.15 0.15 -0.06 0.00 -0.63 0.00 0.00 43.02 42.63 2cug s PHE 17 CO 0.70 -0.43 0.38 -0.51 -0.05 0.00 0.00 175.22 175.30 2cug s ASP 18 N -1.33 6.64 0.03 1.98 1.01 -1.26 -4.99 116.67 118.75 2cug s ASP 18 Ca -0.13 0.78 -0.21 0.00 0.71 0.00 0.00 52.55 53.70 2cug s ASP 18 Cb -0.04 -2.17 -0.15 0.00 1.01 0.00 0.00 42.92 41.56 2cug s ASP 18 CO 0.05 0.22 1.33 1.55 0.21 0.00 0.00 175.17 178.53 2cug h PRO 19 N 3.96 0.30 -0.76 8.23 0.13 -1.97 -2.08 132.00 139.80 2cug h PRO 19 Ca -0.50 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 2cug h PRO 19 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2cug h PRO 19 CO 0.65 0.70 0.43 1.88 -0.23 0.00 0.00 178.00 181.43 2cug h TYR 20 N -0.10 1.03 -0.40 1.56 0.05 -1.89 -1.82 116.97 115.41 2cug h TYR 20 Ca 0.02 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2cug h TYR 20 Cb 0.64 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 2cug h TYR 20 CO 0.09 0.72 0.05 0.00 -1.05 0.00 0.00 178.16 177.96 2cug h ARG 21 N 1.05 0.68 0.46 4.88 2.47 -1.74 0.24 114.38 122.41 2cug h ARG 21 Ca 0.27 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 2cug h ARG 21 Cb 0.01 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2cug h ARG 21 CO -0.05 0.74 -0.31 0.28 0.56 0.00 0.00 179.97 181.19 2cug h VAL 22 N 0.52 0.36 0.00 2.04 2.07 -1.09 -2.48 116.25 117.67 2cug h VAL 22 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 2cug h VAL 22 Cb 0.40 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2cug h VAL 22 CO 0.01 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.29 2cug h LEU 23 N -0.75 0.00 -0.47 2.57 3.38 -1.35 -3.47 115.31 115.23 2cug h LEU 23 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2cug h LEU 23 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2cug h LEU 23 CO 0.03 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2cug n GLY 24 N -0.71 0.99 3.48 0.83 0.00 0.29 -4.87 105.19 105.20 2cug n GLY 24 Ca -0.02 -0.33 -0.24 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 -2.47 0.74 0.46 1.61 -7.23 0.57 -5.01 120.40 109.06 2cug s VAL 25 Ca 0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2cug s VAL 25 Cb 0.00 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2cug s VAL 25 CO 0.00 0.00 0.17 -0.55 -0.31 0.00 0.00 175.10 174.41 2cug s SER 26 N -3.55 4.35 0.53 4.85 0.15 -1.26 -4.30 113.70 114.47 2cug s SER 26 Ca 0.28 -1.27 0.22 0.00 0.70 0.00 0.00 55.95 55.89 2cug s SER 26 Cb 0.05 -0.07 1.35 0.00 -1.71 0.00 0.00 66.02 65.63 2cug s SER 26 CO 0.15 -0.72 2.04 0.08 1.20 0.00 0.00 173.24 175.99 2cug h ARG 27 N 1.31 0.01 0.00 5.44 0.11 -2.02 0.19 114.38 119.41 2cug h ARG 27 Ca -0.42 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.65 2cug h ARG 27 Cb 1.27 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 2cug h ARG 27 CO 0.69 0.00 -0.03 1.79 0.10 0.00 0.00 179.97 182.53 2cug h THR 28 N 0.01 0.10 -2.75 0.08 1.35 -2.05 -3.43 112.91 106.21 2cug h THR 28 Ca 0.18 -0.41 -0.52 0.00 -0.55 0.00 0.00 66.41 65.10 2cug h THR 28 Cb 0.70 1.37 0.05 0.00 -1.73 0.00 0.00 68.15 68.54 2cug h THR 28 CO -0.00 0.03 0.95 0.00 -0.25 0.00 0.00 175.52 176.24 2cug s ALA 29 N -3.86 3.83 0.35 6.62 0.00 0.67 -5.01 121.76 124.37 2cug s ALA 29 Ca -0.01 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.47 2cug s ALA 29 Cb 0.11 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2cug s ALA 29 CO 0.52 -0.87 0.30 0.45 0.00 0.00 0.00 175.76 176.16 2cug s SER 30 N 1.29 5.24 0.37 0.00 0.15 -1.26 -4.82 113.70 114.67 2cug s SER 30 Ca 0.72 -0.54 0.30 0.00 0.70 0.00 0.00 55.95 57.14 2cug s SER 30 Cb -0.46 -0.91 1.23 0.00 -1.71 0.00 0.00 66.02 64.17 2cug s SER 30 CO 0.32 -0.39 1.23 0.00 1.20 0.00 0.00 173.24 175.59 2cug n GLN 31 N -1.39 -0.02 0.26 5.44 1.13 -1.26 0.25 117.38 121.79 2cug n GLN 31 Ca -0.01 0.95 -0.11 0.00 -1.94 0.00 0.00 57.00 55.89 2cug n GLN 31 Cb 0.60 -1.95 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 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 1.12 -0.82 -0.79 -1.58 0.00 -1.98 0.12 119.26 115.33 2cug h ALA 32 Ca 0.71 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.55 2cug h ALA 32 Cb 2.45 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 20.44 2cug h ALA 32 CO -0.26 -0.77 0.45 0.22 0.00 0.00 0.00 179.25 178.89 2cug h ASP 33 N -1.00 0.64 0.41 0.00 3.58 -0.56 -0.13 116.42 119.36 2cug h ASP 33 Ca -0.07 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2cug h ASP 33 Cb 0.53 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2cug h ASP 33 CO 0.12 0.37 -0.20 0.40 -2.88 0.00 0.00 179.24 177.05 2cug h ILE 34 N 0.76 0.56 -0.31 2.25 2.04 -1.00 0.40 117.51 122.21 2cug h ILE 34 Ca 0.38 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2cug h ILE 34 Cb 0.33 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2cug h ILE 34 CO -0.24 0.07 0.28 0.50 0.00 0.00 0.00 178.15 178.76 2cug h LYS 35 N -0.78 0.00 0.11 2.37 3.64 -0.46 0.19 116.57 121.64 2cug h LYS 35 Ca -0.06 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.01 2cug h LYS 35 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2cug h LYS 35 CO 0.09 0.00 -1.63 -0.22 -2.27 0.00 0.00 179.45 175.43 2cug h LYS 36 N 0.00 0.24 0.00 1.90 3.64 -0.75 -3.21 116.57 118.39 2cug h LYS 36 Ca 0.15 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 2cug h LYS 36 Cb 0.70 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2cug h LYS 36 CO -0.00 1.09 -0.26 0.00 -2.27 0.00 0.00 179.45 178.01 2cug h ALA 37 N 0.45 0.96 0.07 5.00 0.00 0.13 -2.96 119.26 122.92 2cug h ALA 37 Ca -0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2cug h ALA 37 Cb 2.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2cug h ALA 37 CO 0.15 0.32 -0.03 -0.92 0.00 0.00 0.00 179.25 178.76 2cug h TYR 38 N 0.00 -0.09 -0.86 0.00 3.20 -0.79 -3.03 116.97 115.40 2cug h TYR 38 Ca -0.00 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 2cug h TYR 38 Cb 0.86 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 39.02 2cug h TYR 38 CO 0.00 -0.05 0.19 0.87 -1.64 0.00 0.00 178.16 177.53 2cug h LYS 39 N -0.33 0.18 0.19 1.82 1.57 -1.67 0.18 116.57 118.51 2cug h LYS 39 Ca -0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2cug h LYS 39 Cb 0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2cug h LYS 39 CO 0.02 0.12 -0.41 -0.22 -0.57 0.00 0.00 179.45 178.38 2cug h LYS 40 N 0.19 -0.67 0.84 3.15 3.11 -1.65 0.15 116.57 121.69 2cug h LYS 40 Ca 0.53 0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 58.37 2cug h LYS 40 Cb 1.05 0.15 0.01 0.00 -1.00 0.00 0.00 32.23 32.44 2cug h LYS 40 CO -0.66 -0.45 -0.40 -0.07 -2.81 0.00 0.00 179.45 175.06 2cug h LEU 41 N -0.69 -0.95 -1.88 5.20 3.38 -1.00 -1.28 115.31 118.09 2cug h LEU 41 Ca 0.01 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.29 2cug h LEU 41 Cb 0.69 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2cug h LEU 41 CO -0.20 -0.64 0.80 0.00 0.09 0.00 0.00 178.44 178.49 2cug h ALA 42 N -1.07 2.87 0.17 1.53 0.00 -0.66 0.53 119.26 122.63 2cug h ALA 42 Ca -0.11 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2cug h ALA 42 Cb 0.87 0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.76 2cug h ALA 42 CO 0.19 -1.31 -1.33 0.00 0.00 0.00 0.00 179.25 176.80 2cug h ARG 43 N 0.00 0.51 0.11 0.00 3.08 -0.22 -2.12 114.38 115.73 2cug h ARG 43 Ca 0.47 -0.78 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2cug h ARG 43 Cb 2.07 0.28 0.00 0.00 0.08 0.00 0.00 29.97 32.40 2cug h ARG 43 CO -0.00 1.36 -0.05 0.93 -1.07 0.00 0.00 179.97 181.13 2cug h GLU 44 N 0.18 -0.14 -0.07 0.04 5.08 0.10 -3.19 114.58 116.58 2cug h GLU 44 Ca -0.20 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2cug h GLU 44 Cb 2.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2cug h GLU 44 CO 0.24 0.35 0.00 0.91 -1.00 0.00 0.00 179.01 179.51 2cug n TRP 45 N -4.86 0.03 -1.74 4.33 7.02 0.78 -4.73 117.44 118.27 2cug n TRP 45 Ca -0.08 -0.01 -0.42 0.00 -1.02 0.00 0.00 57.50 55.97 2cug n TRP 45 Cb 0.28 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.15 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 -0.42 2.83 0.03 -5.99 -0.00 -0.80 -4.36 115.22 106.51 2cug n HIS 46 Ca 0.01 0.26 -0.06 0.00 0.46 0.00 0.00 57.72 58.39 2cug n HIS 46 Cb 0.03 -2.59 0.13 0.00 -0.12 0.00 0.00 29.99 27.44 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 4.74 0.46 -0.65 1.57 0.13 -1.84 0.29 132.00 136.69 2cug h PRO 47 Ca -0.47 -0.24 0.09 0.00 -0.87 0.00 0.00 66.00 64.51 2cug h PRO 47 Cb 1.23 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2cug h PRO 47 CO 0.79 0.81 0.43 -0.44 -0.23 0.00 0.00 178.00 179.36 2cug h ASP 48 N 0.37 0.46 0.00 1.44 5.19 -1.96 -2.65 116.42 119.27 2cug h ASP 48 Ca 0.03 0.01 -0.37 0.00 -0.62 0.00 0.00 57.03 56.08 2cug h ASP 48 Cb 0.92 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.28 2cug h ASP 48 CO 0.08 0.28 -2.39 1.17 -3.12 0.00 0.00 179.24 175.26 2cug n LYS 49 N -4.48 0.70 -2.59 3.56 4.81 -1.15 -4.86 118.16 114.15 2cug n LYS 49 Ca 0.11 -0.01 -0.43 0.00 -0.87 0.00 0.00 58.31 57.11 2cug n LYS 49 Cb 0.35 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 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 -5.49 6.53 0.13 3.14 -0.87 0.10 -4.88 114.94 113.59 2cug s ASN 50 Ca -0.10 0.27 -0.08 0.00 -1.57 0.00 0.00 52.86 51.37 2cug s ASN 50 Cb 0.06 -2.55 -0.08 0.00 -0.02 0.00 0.00 41.25 38.66 2cug s ASN 50 CO 0.82 -1.38 1.35 0.50 -2.57 0.00 0.00 177.10 175.83 2cug h LYS 51 N 9.40 0.65 -6.51 -0.60 3.11 -1.88 -3.43 116.57 117.31 2cug h LYS 51 Ca -0.24 -0.53 -0.60 0.00 -2.81 0.00 0.00 60.65 56.47 2cug h LYS 51 Cb 1.06 0.11 0.07 0.00 -1.00 0.00 0.00 32.23 32.47 2cug h LYS 51 CO 1.16 1.15 0.62 -0.25 -2.81 0.00 0.00 179.45 179.32 2cug n ASP 52 N -3.90 2.61 -4.65 4.20 8.00 -1.26 -4.88 116.55 116.67 2cug n ASP 52 Ca -0.06 1.12 -0.43 0.00 0.71 0.00 0.00 54.79 56.13 2cug n ASP 52 Cb 0.74 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 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 0.08 4.08 0.00 -0.24 0.04 -1.26 -3.14 135.00 134.56 2cug s PRO 53 Ca 0.73 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2cug s PRO 53 Cb -0.71 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 29.89 2cug s PRO 53 CO 0.46 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2cug n GLY 54 N 4.17 1.64 0.40 0.56 0.00 -1.26 -4.97 105.19 105.73 2cug n GLY 54 Ca 0.17 -0.33 0.35 0.00 0.00 0.00 0.00 46.02 46.21 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 1.17 0.00 4.61 0.00 -1.19 0.11 120.51 125.22 2cug n ALA 55 Ca 0.00 0.79 -0.10 0.00 0.00 0.00 0.00 53.44 54.13 2cug n ALA 55 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.09 -0.93 0.00 4.57 -1.86 -2.74 114.58 113.54 2cug h GLU 56 Ca 0.77 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 59.08 2cug h GLU 56 Cb 2.44 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 30.92 2cug h GLU 56 CO -0.45 -0.06 -0.44 -3.47 -1.18 0.00 0.00 179.01 173.41 2cug n ASP 57 N -5.22 -0.77 0.09 1.04 2.03 0.30 -0.33 116.55 113.69 2cug n ASP 57 Ca -0.04 1.64 -0.12 0.00 0.52 0.00 0.00 54.79 56.79 2cug n ASP 57 Cb 0.14 -0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 40.18 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 -0.32 -0.91 -0.67 9.65 -1.58 -2.22 114.38 118.33 2cug h ARG 58 Ca 0.25 0.02 0.26 0.00 -1.10 0.00 0.00 59.98 59.41 2cug h ARG 58 Cb 0.48 0.07 -0.14 0.00 -1.39 0.00 0.00 29.97 28.99 2cug h ARG 58 CO -0.90 -0.21 0.31 0.35 2.80 0.00 0.00 179.97 182.32 2cug h PHE 59 N -0.33 0.49 -0.03 2.20 3.57 -0.40 0.12 116.94 122.57 2cug h PHE 59 Ca 0.03 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2cug h PHE 59 Cb 0.36 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2cug h PHE 59 CO -0.19 -0.21 -0.10 0.82 -2.23 0.00 0.00 178.31 176.40 2cug h ILE 60 N 0.23 0.74 -0.09 1.41 2.04 -0.55 -0.60 117.51 120.70 2cug h ILE 60 Ca 0.60 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.46 2cug h ILE 60 Cb 1.25 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2cug h ILE 60 CO -0.65 0.00 0.04 1.56 0.00 0.00 0.00 178.15 179.10 2cug h GLN 61 N -0.15 0.09 -0.44 2.37 4.20 -0.65 0.22 115.11 120.75 2cug h GLN 61 Ca 0.05 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2cug h GLN 61 Cb 0.22 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 2cug h GLN 61 CO -0.12 0.06 0.06 0.82 -0.67 0.00 0.00 178.83 178.98 2cug h ILE 62 N 0.10 0.73 -0.24 2.54 2.04 -0.90 0.23 117.51 122.00 2cug h ILE 62 Ca 0.04 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 2cug h ILE 62 Cb 0.01 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2cug h ILE 62 CO -0.03 0.03 -0.04 -1.28 0.00 0.00 0.00 178.15 176.83 2cug h SER 63 N 0.18 0.45 -0.81 1.72 0.87 -0.86 -2.63 113.55 112.47 2cug h SER 63 Ca 0.22 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2cug h SER 63 Cb 0.29 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.08 2cug h SER 63 CO -0.31 0.70 0.54 0.11 -0.53 0.00 0.00 176.83 177.33 2cug h LYS 64 N 0.20 0.96 -0.16 2.24 1.79 -0.04 0.58 116.57 122.14 2cug h LYS 64 Ca 0.06 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2cug h LYS 64 Cb 0.49 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2cug h LYS 64 CO 0.02 0.63 0.05 0.00 -1.08 0.00 0.00 179.45 179.08 2cug h ALA 65 N 1.53 0.21 -0.27 3.86 0.00 -0.43 -3.15 119.26 121.02 2cug h ALA 65 Ca 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2cug h ALA 65 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2cug h ALA 65 CO -0.10 -0.17 0.02 -0.92 0.00 0.00 0.00 179.25 178.07 2cug h TYR 66 N 0.09 0.51 -1.61 0.00 3.20 -1.07 -2.83 116.97 115.26 2cug h TYR 66 Ca 0.05 -0.08 0.49 0.00 3.14 0.00 0.00 58.73 62.33 2cug h TYR 66 Cb 0.21 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.26 2cug h TYR 66 CO -0.00 0.60 1.12 0.93 -1.64 0.00 0.00 178.16 179.17 2cug h GLU 67 N 0.26 0.03 0.27 1.82 5.08 -0.85 0.53 114.58 121.73 2cug h GLU 67 Ca 0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2cug h GLU 67 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2cug h GLU 67 CO 0.01 0.02 -0.13 0.82 -1.00 0.00 0.00 179.01 178.73 2cug h ILE 68 N 0.03 0.00 0.39 3.13 2.04 -1.50 -3.21 117.51 118.39 2cug h ILE 68 Ca 0.84 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 66.36 2cug h ILE 68 Cb 3.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2cug h ILE 68 CO -0.17 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.72 2cug h LEU 69 N -0.68 -0.45 -0.74 1.44 3.38 -1.14 -2.19 115.31 114.92 2cug h LEU 69 Ca -0.04 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2cug h LEU 69 Cb 0.28 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 2cug h LEU 69 CO 0.06 -0.32 -0.24 -0.24 0.09 0.00 0.00 178.44 177.79 2cug n SER 70 N -5.32 -0.39 -4.75 -0.43 2.88 0.17 -4.16 113.62 101.62 2cug n SER 70 Ca -0.11 1.29 -0.40 0.00 -1.33 0.00 0.00 58.87 58.32 2cug n SER 70 Cb 0.23 -0.34 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 2cug n SER 70 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2cug s ASN 71 N -5.23 7.49 0.04 -3.46 3.84 -1.13 -4.99 114.94 111.49 2cug s ASN 71 Ca -0.11 1.77 -0.32 0.00 0.21 0.00 0.00 52.86 54.41 2cug s ASN 71 Cb 0.17 -2.56 -0.18 0.00 -0.55 0.00 0.00 41.25 38.14 2cug s ASN 71 CO 0.55 0.11 1.33 -0.33 -2.79 0.00 0.00 177.10 175.97 2cug h GLU 72 N 4.67 -1.11 -0.51 0.43 4.39 -1.82 0.43 114.58 121.06 2cug h GLU 72 Ca -0.45 0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.42 2cug h GLU 72 Cb 1.20 0.25 -0.10 0.00 -0.10 0.00 0.00 28.75 30.00 2cug h GLU 72 CO 0.69 -0.74 -0.30 1.49 -1.16 0.00 0.00 179.01 178.99 2cug h GLU 73 N -1.30 -0.17 -0.66 2.33 4.57 -1.93 0.38 114.58 117.80 2cug h GLU 73 Ca -0.12 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2cug h GLU 73 Cb 0.88 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.48 2cug h GLU 73 CO 0.19 -0.11 0.40 0.87 -1.18 0.00 0.00 179.01 179.18 2cug h LYS 74 N -0.18 0.89 -0.52 1.92 1.57 -1.74 0.24 116.57 118.74 2cug h LYS 74 Ca 0.22 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2cug h LYS 74 Cb 0.53 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2cug h LYS 74 CO -0.61 0.62 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.75 2cug h ARG 75 N 0.91 0.95 0.12 3.15 2.43 0.16 -2.29 114.38 119.80 2cug h ARG 75 Ca 0.24 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2cug h ARG 75 Cb -0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2cug h ARG 75 CO -0.05 0.99 -0.06 1.15 -1.51 0.00 0.00 179.97 180.50 2cug h THR 76 N 0.82 0.00 -1.06 0.20 2.02 0.15 -3.20 112.91 111.84 2cug h THR 76 Ca 0.14 -0.45 0.38 0.00 0.77 0.00 0.00 66.41 67.26 2cug h THR 76 Cb 0.59 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.84 2cug h THR 76 CO 0.04 0.00 0.61 -0.55 0.37 0.00 0.00 175.52 175.99 2cug h ASN 77 N -0.61 0.39 0.71 4.18 -1.07 -0.67 0.10 115.58 118.61 2cug h ASN 77 Ca -0.02 0.21 -0.03 0.00 0.07 0.00 0.00 56.30 56.53 2cug h ASN 77 Cb 0.12 0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.55 2cug h ASN 77 CO 0.03 -0.27 -0.49 0.22 0.07 0.00 0.00 177.43 176.99 2cug h TYR 78 N 0.15 -1.32 -0.33 4.14 3.20 -1.51 0.58 116.97 121.88 2cug h TYR 78 Ca 0.80 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.67 2cug h TYR 78 Cb 2.07 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 40.80 2cug h TYR 78 CO -0.01 -0.71 0.20 0.22 -1.64 0.00 0.00 178.16 176.22 2cug h ASP 79 N -1.14 0.34 -0.27 -2.11 1.82 -0.90 -1.69 116.42 112.46 2cug h ASP 79 Ca -0.09 -0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.62 2cug h ASP 79 Cb 0.94 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.86 2cug h ASP 79 CO 0.06 0.24 0.21 0.45 -1.61 0.00 0.00 179.24 178.60 2cug h HIS 80 N 0.41 0.00 0.00 0.28 3.86 -0.83 0.19 115.15 119.05 2cug h HIS 80 Ca 0.13 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2cug h HIS 80 Cb -0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2cug h HIS 80 CO -0.07 0.00 -0.10 -0.92 0.86 0.00 0.00 177.93 177.70 2cug h TYR 81 N 0.00 0.00 -0.02 2.45 5.03 0.09 -3.47 116.97 121.05 2cug h TYR 81 Ca 0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2cug h TYR 81 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2cug h TYR 81 CO 0.00 0.10 0.00 0.41 -1.32 0.00 0.00 178.16 177.35 2cug n GLY 82 N 0.13 0.41 3.83 1.82 0.00 0.65 -5.04 105.19 106.99 2cug n GLY 82 Ca 0.01 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 2cug n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cug s SER 83 N -2.98 6.93 0.00 1.61 0.01 -1.24 -4.89 113.70 113.15 2cug s SER 83 Ca 0.00 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2cug s SER 83 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2cug s SER 83 CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2cug n GLY 84 N 1.22 0.98 0.27 3.44 0.00 -1.26 -4.64 105.19 105.19 2cug n GLY 84 Ca -0.08 -2.07 0.17 0.00 0.00 0.00 0.00 46.02 44.05 2cug n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cug h PRO 85 N 0.00 0.00 -6.41 1.61 0.13 -1.82 -3.43 132.00 122.08 2cug h PRO 85 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2cug h PRO 85 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2cug h PRO 85 CO 0.00 0.00 1.07 0.45 -0.23 0.00 0.00 178.00 179.29 2cug n SER 86 N -3.03 3.68 -3.61 1.44 2.88 -1.26 -1.59 113.62 112.13 2cug n SER 86 Ca 0.01 0.99 -0.23 0.00 -1.33 0.00 0.00 58.87 58.30 2cug n SER 86 Cb 0.29 -1.46 0.07 0.00 -0.75 0.00 0.00 64.21 62.36 2cug n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cug n SER 87 N 5.83 -4.61 0.00 -3.46 2.88 -1.26 -4.87 113.62 108.13 2cug n SER 87 Ca 0.20 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2cug n SER 87 Cb 0.34 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 2cug n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42