#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 -0.53 -0.08 1.61 1.04 -1.26 -5.15 113.70 109.33 2cug s SER 2 Ca 0.00 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.43 2cug s SER 2 Cb 0.00 0.97 0.02 0.00 0.10 0.00 0.00 66.02 67.11 2cug s SER 2 CO 0.00 -0.21 -0.07 -0.55 0.98 0.00 0.00 173.24 173.39 2cug s SER 3 N 1.67 1.70 -0.23 7.02 0.15 -1.26 -5.12 113.70 117.64 2cug s SER 3 Ca -0.08 -0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.07 2cug s SER 3 Cb -0.09 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2cug s SER 3 CO -0.14 -0.07 0.93 -0.83 1.20 0.00 0.00 173.24 174.33 2cug s GLY 4 N 1.25 1.74 0.15 9.45 0.00 -1.26 -4.99 107.32 113.66 2cug s GLY 4 Ca -0.05 0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.44 2cug s GLY 4 CO -0.02 1.98 0.98 -0.56 0.00 0.00 0.00 173.10 175.48 2cug s SER 5 N 1.27 -0.15 -1.53 1.64 0.01 -1.26 -4.97 113.70 108.71 2cug s SER 5 Ca 0.39 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 57.09 2cug s SER 5 Cb -0.15 0.48 0.09 0.00 0.21 0.00 0.00 66.02 66.64 2cug s SER 5 CO 0.07 -0.89 0.94 -1.54 0.41 0.00 0.00 173.24 172.23 2cug n SER 6 N -0.54 -4.80 -4.64 2.44 3.41 -1.26 -4.93 113.62 103.30 2cug n SER 6 Ca -0.06 -0.74 -0.29 0.00 -0.26 0.00 0.00 58.87 57.52 2cug n SER 6 Cb 0.61 -3.83 0.18 0.00 -0.26 0.00 0.00 64.21 60.90 2cug n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cug s GLY 7 N -3.24 1.59 -0.02 5.00 0.00 -1.26 -5.06 107.32 104.33 2cug s GLY 7 Ca 0.65 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 45.27 2cug s GLY 7 CO 0.80 0.46 -0.10 -0.42 0.00 0.00 0.00 173.10 173.84 2cug s ILE 8 N -2.80 0.81 0.50 0.90 1.01 -1.26 -5.13 121.20 115.23 2cug s ILE 8 Ca 0.66 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.68 2cug s ILE 8 Cb -0.20 -0.69 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 2cug s ILE 8 CO 0.59 0.24 0.99 0.00 0.00 0.00 0.00 174.94 176.76 2cug n LEU 9 N 3.02 3.05 0.09 2.97 -0.00 -1.26 -4.91 117.00 119.96 2cug n LEU 9 Ca -0.16 0.94 -0.14 0.00 -0.00 0.00 0.00 56.01 56.66 2cug n LEU 9 Cb 0.55 -1.37 -0.08 0.00 -0.00 0.00 0.00 43.42 42.52 2cug n LEU 9 CO 0.25 -1.62 0.51 -0.61 -0.00 0.00 0.00 177.39 175.91 2cug h GLN 10 N 1.14 -0.61 -2.29 1.47 5.75 -2.07 -3.46 115.11 115.03 2cug h GLN 10 Ca -0.46 0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.22 2cug h GLN 10 Cb 1.35 0.14 -0.12 0.00 1.07 0.00 0.00 27.48 29.91 2cug h GLN 10 CO 0.54 -0.40 0.50 0.45 -2.65 0.00 0.00 178.83 177.26 2cug s SER 11 N -4.31 -0.28 -0.16 -0.69 0.15 -1.26 -5.17 113.70 101.98 2cug s SER 11 Ca -0.14 -0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.28 2cug s SER 11 Cb 0.05 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.86 2cug s SER 11 CO 0.51 -0.73 0.34 -0.22 1.20 0.00 0.00 173.24 174.34 2cug s LEU 12 N -2.68 -0.39 -0.13 3.45 2.96 -1.26 -5.15 118.68 115.48 2cug s LEU 12 Ca 0.08 0.79 -0.11 0.00 -0.22 0.00 0.00 54.13 54.68 2cug s LEU 12 Cb -0.01 1.05 0.04 0.00 0.50 0.00 0.00 46.19 47.77 2cug s LEU 12 CO -0.04 -0.23 0.33 -0.44 -1.32 0.00 0.00 176.35 174.65 2cug s SER 13 N 2.34 -0.36 -0.23 3.68 0.01 -1.26 -5.04 113.70 112.84 2cug s SER 13 Ca -0.02 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 57.90 2cug s SER 13 Cb -0.12 0.66 -0.19 0.00 0.21 0.00 0.00 66.02 66.59 2cug s SER 13 CO -0.11 -0.13 -0.09 0.00 0.41 0.00 0.00 173.24 173.32 2cug n ALA 14 N 3.23 1.26 -1.94 1.44 0.00 -1.26 -4.99 120.51 118.25 2cug n ALA 14 Ca -0.16 -0.96 -0.25 0.00 0.00 0.00 0.00 53.44 52.07 2cug n ALA 14 Cb 0.57 -0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.85 2cug n ALA 14 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2cug s LEU 15 N -6.79 2.94 0.13 0.00 2.34 -1.26 -4.98 118.68 111.06 2cug s LEU 15 Ca -0.32 0.28 -0.25 0.00 0.06 0.00 0.00 54.13 53.89 2cug s LEU 15 Cb 0.09 -2.95 -0.06 0.00 -0.56 0.00 0.00 46.19 42.71 2cug s LEU 15 CO 0.63 -1.54 1.37 0.47 -1.06 0.00 0.00 176.35 176.22 2cug n ASP 16 N -2.80 -0.86 -3.87 1.48 8.00 -1.26 -4.63 116.55 112.61 2cug n ASP 16 Ca 0.09 1.56 -0.11 0.00 0.71 0.00 0.00 54.79 57.04 2cug n ASP 16 Cb 0.60 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.35 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 -5.17 0.03 -0.02 1.24 -0.12 -1.26 -5.10 117.98 107.58 2cug s PHE 17 Ca -0.10 -0.08 -0.06 0.00 -0.05 0.00 0.00 56.93 56.64 2cug s PHE 17 Cb 0.09 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 2cug s PHE 17 CO 0.51 -0.24 0.23 -0.51 -0.05 0.00 0.00 175.22 175.16 2cug s ASP 18 N -1.12 6.46 0.08 1.98 1.11 -1.26 -5.02 116.67 118.90 2cug s ASP 18 Ca -0.12 0.51 -0.16 0.00 0.18 0.00 0.00 52.55 52.96 2cug s ASP 18 Cb -0.07 -2.07 -0.10 0.00 1.07 0.00 0.00 42.92 41.75 2cug s ASP 18 CO 0.01 0.28 1.40 1.55 1.18 0.00 0.00 175.17 179.59 2cug h PRO 19 N 4.13 0.60 -0.63 8.23 0.13 -1.96 -2.41 132.00 140.09 2cug h PRO 19 Ca -0.51 -0.32 -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 0.91 0.26 1.88 -0.23 0.00 0.00 178.00 181.48 2cug h TYR 20 N 0.31 0.92 -0.29 1.56 0.05 -1.88 -1.45 116.97 116.19 2cug h TYR 20 Ca 0.04 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2cug h TYR 20 Cb 0.80 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2cug h TYR 20 CO 0.08 0.70 -0.15 0.00 -1.05 0.00 0.00 178.16 177.74 2cug h ARG 21 N 0.91 0.62 0.37 4.88 2.47 -1.75 0.19 114.38 122.05 2cug h ARG 21 Ca 0.22 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2cug h ARG 21 Cb 0.16 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2cug h ARG 21 CO -0.02 0.85 -0.18 0.28 0.56 0.00 0.00 179.97 181.47 2cug h VAL 22 N 0.37 0.65 -0.29 2.04 2.07 -1.15 -2.95 116.25 116.99 2cug h VAL 22 Ca 0.06 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2cug h VAL 22 Cb 0.67 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2cug h VAL 22 CO 0.04 0.03 -0.14 -0.07 0.02 0.00 0.00 177.57 177.45 2cug h LEU 23 N -0.57 0.48 -0.48 2.57 3.38 -1.32 -3.48 115.31 115.89 2cug h LEU 23 Ca -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2cug h LEU 23 Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2cug h LEU 23 CO 0.08 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2cug n GLY 24 N -0.61 0.73 3.22 0.83 0.00 0.40 -4.88 105.19 104.88 2cug n GLY 24 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.99 0.50 0.48 1.61 -7.23 0.25 -5.03 120.40 108.99 2cug s VAL 25 Ca 0.00 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.27 2cug s VAL 25 Cb 0.00 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2cug s VAL 25 CO 0.00 -0.41 0.28 -0.44 -0.31 0.00 0.00 175.10 174.23 2cug s SER 26 N -3.16 4.58 0.44 4.85 0.01 -1.26 -4.40 113.70 114.76 2cug s SER 26 Ca 0.26 -1.15 0.20 0.00 1.31 0.00 0.00 55.95 56.57 2cug s SER 26 Cb 0.07 -0.04 1.17 0.00 0.21 0.00 0.00 66.02 67.43 2cug s SER 26 CO 0.05 -0.82 1.87 0.08 0.41 0.00 0.00 173.24 174.83 2cug h ARG 27 N 1.08 0.31 -0.02 12.44 -0.00 -2.02 0.39 114.38 126.56 2cug h ARG 27 Ca -0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 2cug h ARG 27 Cb 1.28 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.97 31.18 2cug h ARG 27 CO 0.63 0.20 0.02 1.79 -0.00 0.00 0.00 179.97 182.62 2cug h THR 28 N 0.32 0.47 -3.07 0.08 1.35 -2.06 -3.41 112.91 106.58 2cug h THR 28 Ca 0.45 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.77 2cug h THR 28 Cb 1.26 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2cug h THR 28 CO -0.14 0.00 0.68 0.00 -0.25 0.00 0.00 175.52 175.81 2cug s ALA 29 N -4.58 3.49 0.41 6.62 0.00 0.14 -5.03 121.76 122.81 2cug s ALA 29 Ca -0.05 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.83 2cug s ALA 29 Cb 0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2cug s ALA 29 CO 0.53 -0.65 0.36 -1.12 0.00 0.00 0.00 175.76 174.88 2cug s SER 30 N 1.36 5.01 0.36 0.00 0.01 -1.26 -4.76 113.70 114.42 2cug s SER 30 Ca 0.60 -0.76 0.30 0.00 1.31 0.00 0.00 55.95 57.40 2cug s SER 30 Cb -0.30 -0.57 1.18 0.00 0.21 0.00 0.00 66.02 66.54 2cug s SER 30 CO 0.27 -0.64 1.15 1.67 0.41 0.00 0.00 173.24 176.11 2cug n GLN 31 N -1.52 -0.02 0.28 12.44 -0.06 -1.26 0.72 117.38 127.97 2cug n GLN 31 Ca 0.03 0.87 -0.12 0.00 -2.00 0.00 0.00 57.00 55.78 2cug n GLN 31 Cb 0.62 -1.84 -0.06 0.00 -4.06 0.00 0.00 30.24 24.90 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 0.99 -0.77 -0.56 1.69 0.00 -1.98 0.01 119.26 118.64 2cug h ALA 32 Ca 0.67 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.41 2cug h ALA 32 Cb 2.40 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 20.46 2cug h ALA 32 CO -0.20 -0.72 0.37 0.22 0.00 0.00 0.00 179.25 178.92 2cug h ASP 33 N -1.19 0.65 -0.06 0.00 3.58 -0.05 -1.35 116.42 117.99 2cug h ASP 33 Ca -0.08 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2cug h ASP 33 Cb 0.60 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2cug h ASP 33 CO 0.13 0.47 0.03 0.40 -2.88 0.00 0.00 179.24 177.39 2cug h ILE 34 N 0.76 1.07 0.29 2.25 2.04 -0.90 0.16 117.51 123.18 2cug h ILE 34 Ca 0.21 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2cug h ILE 34 Cb -0.09 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2cug h ILE 34 CO -0.04 0.06 -0.32 0.50 0.00 0.00 0.00 178.15 178.34 2cug h LYS 35 N 0.02 -0.63 -0.96 2.37 3.11 -0.77 0.35 116.57 120.06 2cug h LYS 35 Ca 0.02 0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.93 2cug h LYS 35 Cb 0.06 0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 31.39 2cug h LYS 35 CO -0.00 -0.42 0.63 -0.22 -2.81 0.00 0.00 179.45 176.63 2cug h LYS 36 N -0.66 1.22 -0.57 1.90 3.64 -1.21 -1.92 116.57 118.97 2cug h LYS 36 Ca -0.01 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2cug h LYS 36 Cb 0.61 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2cug h LYS 36 CO -0.08 0.80 -0.01 0.00 -2.27 0.00 0.00 179.45 177.90 2cug h ALA 37 N 1.42 0.90 0.79 5.00 0.00 -0.19 -2.88 119.26 124.30 2cug h ALA 37 Ca 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2cug h ALA 37 Cb -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.51 2cug h ALA 37 CO -0.10 0.65 -0.38 -0.92 0.00 0.00 0.00 179.25 178.50 2cug h TYR 38 N 0.92 -0.99 -0.55 0.00 3.20 0.36 -2.88 116.97 117.03 2cug h TYR 38 Ca 0.16 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2cug h TYR 38 Cb 0.54 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 39.04 2cug h TYR 38 CO 0.04 -0.60 -0.55 0.87 -1.64 0.00 0.00 178.16 176.27 2cug h LYS 39 N -1.20 -0.29 -0.86 1.82 6.56 -1.40 0.74 116.57 121.94 2cug h LYS 39 Ca -0.11 0.02 0.16 0.00 -1.06 0.00 0.00 60.65 59.66 2cug h LYS 39 Cb 0.83 0.07 -0.16 0.00 -0.57 0.00 0.00 32.23 32.40 2cug h LYS 39 CO 0.18 -0.19 -0.29 -0.22 -2.06 0.00 0.00 179.45 176.87 2cug h LYS 40 N -0.30 -0.03 0.70 3.15 3.64 -1.54 0.25 116.57 122.44 2cug h LYS 40 Ca 0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2cug h LYS 40 Cb 0.56 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2cug h LYS 40 CO -0.68 -0.02 -0.34 -0.07 -2.27 0.00 0.00 179.45 176.08 2cug h LEU 41 N -0.03 -0.79 -0.95 5.20 3.38 -0.85 -1.98 115.31 119.28 2cug h LEU 41 Ca 0.37 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.59 2cug h LEU 41 Cb 0.61 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 2cug h LEU 41 CO -0.89 -0.56 0.50 0.00 0.09 0.00 0.00 178.44 177.59 2cug h ALA 42 N -0.66 1.61 -0.41 1.53 0.00 0.51 0.31 119.26 122.16 2cug h ALA 42 Ca -0.10 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2cug h ALA 42 Cb 0.73 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2cug h ALA 42 CO 0.16 -0.29 0.18 0.00 0.00 0.00 0.00 179.25 179.30 2cug h ARG 43 N 0.51 0.59 0.45 0.00 3.08 -0.30 0.72 114.38 119.42 2cug h ARG 43 Ca 0.60 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.53 2cug h ARG 43 Cb 1.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2cug h ARG 43 CO -0.49 0.54 -0.21 0.93 -1.07 0.00 0.00 179.97 179.66 2cug h GLU 44 N 0.52 -0.58 0.00 0.04 4.39 -0.10 -3.04 114.58 115.81 2cug h GLU 44 Ca 0.14 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2cug h GLU 44 Cb 0.15 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2cug h GLU 44 CO -0.02 -0.29 0.00 0.91 -1.16 0.00 0.00 179.01 178.46 2cug n TRP 45 N -5.20 0.00 -1.60 4.33 7.02 0.85 -4.83 117.44 118.02 2cug n TRP 45 Ca -0.09 0.00 -0.51 0.00 -1.02 0.00 0.00 57.50 55.87 2cug n TRP 45 Cb 0.29 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.12 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 -0.57 1.98 0.57 -5.99 -0.00 0.25 -4.31 115.22 107.14 2cug n HIS 46 Ca 0.03 0.23 0.07 0.00 0.46 0.00 0.00 57.72 58.51 2cug n HIS 46 Cb 0.01 -2.57 0.33 0.00 -0.12 0.00 0.00 29.99 27.65 2cug n HIS 46 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2cug n PRO 47 N 7.02 0.09 0.09 1.57 -0.04 -1.26 -1.27 135.00 141.19 2cug n PRO 47 Ca 0.31 0.21 -0.18 0.00 -0.04 0.00 0.00 63.50 63.80 2cug n PRO 47 Cb 0.23 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 2cug n PRO 47 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cug h ASP 48 N 0.00 0.65 0.05 3.54 5.19 -1.95 -3.34 116.42 120.56 2cug h ASP 48 Ca 0.00 -0.59 -0.26 0.00 -0.62 0.00 0.00 57.03 55.56 2cug h ASP 48 Cb 0.20 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2cug h ASP 48 CO 0.00 1.42 -2.22 1.17 -3.12 0.00 0.00 179.24 176.48 2cug n LYS 49 N -3.72 0.68 -2.40 3.56 4.81 -1.09 -4.93 118.16 115.07 2cug n LYS 49 Ca -0.10 -0.04 -0.42 0.00 -0.87 0.00 0.00 58.31 56.88 2cug n LYS 49 Cb 0.94 -1.54 -0.03 0.00 0.02 0.00 0.00 35.03 34.42 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 -5.27 7.08 -0.17 3.14 0.01 -0.40 -4.93 114.94 114.41 2cug s ASN 50 Ca -0.09 2.12 0.07 0.00 -0.71 0.00 0.00 52.86 54.25 2cug s ASN 50 Cb 0.08 -2.59 -0.15 0.00 0.41 0.00 0.00 41.25 39.00 2cug s ASN 50 CO 0.85 -0.43 -0.07 0.29 -1.51 0.00 0.00 177.10 176.24 2cug n LYS 51 N 3.30 0.98 -1.65 -0.60 4.01 -1.26 -4.80 118.16 118.14 2cug n LYS 51 Ca 0.07 0.06 -0.45 0.00 -0.51 0.00 0.00 58.31 57.48 2cug n LYS 51 Cb 0.45 -1.38 -0.02 0.00 -0.51 0.00 0.00 35.03 33.57 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 -2.82 2.25 -4.61 4.39 8.00 -1.26 -4.87 116.55 117.62 2cug n ASP 52 Ca -0.29 1.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.95 2cug n ASP 52 Cb 0.92 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 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 -1.05 3.60 0.00 -0.24 0.04 -1.26 -3.19 135.00 132.90 2cug s PRO 53 Ca 0.63 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2cug s PRO 53 Cb -0.67 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 29.78 2cug s PRO 53 CO 0.56 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2cug n GLY 54 N 5.00 4.16 0.34 0.56 0.00 -1.26 -4.98 105.19 109.01 2cug n GLY 54 Ca 0.20 -0.92 0.20 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 1.46 -0.60 4.61 0.00 -1.91 0.84 119.26 123.67 2cug h ALA 55 Ca 0.00 0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.30 2cug h ALA 55 Cb 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2cug h ALA 55 CO 0.00 -0.69 0.28 1.49 0.00 0.00 0.00 179.25 180.33 2cug h GLU 56 N 0.00 0.51 -0.52 0.00 4.81 -1.83 -1.80 114.58 115.75 2cug h GLU 56 Ca 0.68 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.98 2cug h GLU 56 Cb 1.54 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.70 2cug h GLU 56 CO -0.89 0.33 -0.12 0.22 -0.73 0.00 0.00 179.01 177.82 2cug h ASP 57 N 0.52 -0.47 -0.45 1.04 3.58 0.34 -0.67 116.42 120.31 2cug h ASP 57 Ca 0.28 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2cug h ASP 57 Cb 0.25 0.32 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2cug h ASP 57 CO -0.22 -0.17 0.19 -0.09 -2.88 0.00 0.00 179.24 176.07 2cug h ARG 58 N 0.00 0.66 -0.80 0.28 9.65 -1.29 -2.79 114.38 120.09 2cug h ARG 58 Ca 0.25 -0.11 0.12 0.00 -1.10 0.00 0.00 59.98 59.14 2cug h ARG 58 Cb 0.38 -0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.77 2cug h ARG 58 CO -0.53 0.59 0.42 0.35 2.80 0.00 0.00 179.97 183.60 2cug h PHE 59 N 0.58 0.75 -0.63 2.20 3.57 -0.39 -1.14 116.94 121.87 2cug h PHE 59 Ca 0.15 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2cug h PHE 59 Cb 0.16 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 2cug h PHE 59 CO -0.00 0.24 0.34 0.82 -2.23 0.00 0.00 178.31 177.47 2cug h ILE 60 N 0.66 0.95 0.15 1.41 2.04 -0.90 -1.67 117.51 120.16 2cug h ILE 60 Ca 0.41 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2cug h ILE 60 Cb 0.49 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2cug h ILE 60 CO -0.31 0.11 -0.07 1.56 0.00 0.00 0.00 178.15 179.44 2cug h GLN 61 N 0.63 -0.20 -0.36 2.37 4.20 -1.14 -1.36 115.11 119.25 2cug h GLN 61 Ca 0.29 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.09 2cug h GLN 61 Cb 0.19 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 2cug h GLN 61 CO -0.19 -0.03 -0.19 0.82 -0.67 0.00 0.00 178.83 178.57 2cug h ILE 62 N -0.33 0.45 -0.43 2.54 2.04 -1.03 0.21 117.51 120.96 2cug h ILE 62 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2cug h ILE 62 Cb 0.26 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2cug h ILE 62 CO 0.03 0.00 0.25 -1.28 0.00 0.00 0.00 178.15 177.16 2cug h SER 63 N -0.13 0.41 -0.94 1.72 0.87 -1.24 -2.08 113.55 112.17 2cug h SER 63 Ca 0.18 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2cug h SER 63 Cb 0.41 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 2cug h SER 63 CO -0.44 0.29 0.62 0.11 -0.53 0.00 0.00 176.83 176.88 2cug h LYS 64 N 0.51 1.24 0.12 2.24 1.79 -0.28 0.14 116.57 122.33 2cug h LYS 64 Ca 0.17 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2cug h LYS 64 Cb 0.01 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 2cug h LYS 64 CO -0.08 0.82 -0.09 0.00 -1.08 0.00 0.00 179.45 179.03 2cug h ALA 65 N 1.34 -0.20 -0.35 3.86 0.00 -0.08 -3.00 119.26 120.83 2cug h ALA 65 Ca 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2cug h ALA 65 Cb -0.15 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2cug h ALA 65 CO -0.07 -0.62 0.01 -0.92 0.00 0.00 0.00 179.25 177.64 2cug h TYR 66 N -0.22 0.67 -0.93 0.00 3.20 -1.14 -3.10 116.97 115.45 2cug h TYR 66 Ca -0.01 -0.11 0.24 0.00 3.14 0.00 0.00 58.73 61.99 2cug h TYR 66 Cb 0.19 -0.18 -0.17 0.00 1.54 0.00 0.00 36.73 38.11 2cug h TYR 66 CO -0.10 0.72 -0.04 0.39 -1.64 0.00 0.00 178.16 177.49 2cug n GLU 67 N -4.51 -0.08 0.39 1.82 1.02 0.47 0.11 120.64 119.85 2cug n GLU 67 Ca -0.02 1.40 -0.16 0.00 -0.02 0.00 0.00 57.16 58.37 2cug n GLU 67 Cb 0.27 -2.20 -0.08 0.00 -0.02 0.00 0.00 31.44 29.41 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 0.60 -3.67 2.04 -1.47 -1.60 117.51 113.41 2cug h ILE 68 Ca 0.53 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.37 2cug h ILE 68 Cb 1.04 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2cug h ILE 68 CO -0.89 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 176.90 2cug h LEU 69 N -1.02 -0.68 -0.85 1.44 3.38 -1.02 0.18 115.31 116.73 2cug h LEU 69 Ca -0.10 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.07 2cug h LEU 69 Cb 0.80 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 2cug h LEU 69 CO 0.15 -0.47 -0.17 -0.24 0.09 0.00 0.00 178.44 177.79 2cug n SER 70 N -4.27 -0.27 -4.70 -0.43 2.88 0.29 -4.11 113.62 103.01 2cug n SER 70 Ca -0.10 1.46 -0.42 0.00 -1.33 0.00 0.00 58.87 58.48 2cug n SER 70 Cb 0.32 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 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 -5.19 7.18 0.11 -3.46 2.47 -0.60 -4.95 114.94 110.50 2cug s ASN 71 Ca -0.12 1.79 -0.19 0.00 0.42 0.00 0.00 52.86 54.75 2cug s ASN 71 Cb 0.23 -2.57 -0.07 0.00 -1.45 0.00 0.00 41.25 37.40 2cug s ASN 71 CO 0.67 -0.44 1.70 -0.08 -3.72 0.00 0.00 177.10 175.22 2cug h GLU 72 N 7.02 0.32 0.22 0.43 4.81 -1.81 -0.13 114.58 125.44 2cug h GLU 72 Ca -0.38 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2cug h GLU 72 Cb 1.19 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2cug h GLU 72 CO 0.82 0.30 -0.45 1.49 -0.73 0.00 0.00 179.01 180.44 2cug h GLU 73 N 0.25 -0.70 0.13 1.92 4.81 -1.92 0.90 114.58 119.97 2cug h GLU 73 Ca 0.08 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2cug h GLU 73 Cb 0.08 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2cug h GLU 73 CO -0.01 -0.47 -0.23 0.87 -0.73 0.00 0.00 179.01 178.44 2cug h LYS 74 N -0.73 -0.43 -0.41 1.92 1.57 -1.73 -0.08 116.57 116.69 2cug h LYS 74 Ca -0.02 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2cug h LYS 74 Cb 0.69 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.01 2cug h LYS 74 CO -0.18 -0.28 -0.45 -0.09 -0.57 0.00 0.00 179.45 177.87 2cug h ARG 75 N -0.44 -0.33 -0.62 3.15 2.43 0.13 -0.49 114.38 118.21 2cug h ARG 75 Ca 0.02 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2cug h ARG 75 Cb 0.46 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 2cug h ARG 75 CO -0.12 -0.22 0.34 1.15 -1.51 0.00 0.00 179.97 179.61 2cug h THR 76 N -0.34 0.98 -0.85 0.20 2.02 -0.62 -2.04 112.91 112.25 2cug h THR 76 Ca 0.13 -0.22 0.14 0.00 0.77 0.00 0.00 66.41 67.23 2cug h THR 76 Cb 0.59 0.28 -0.09 0.00 -1.74 0.00 0.00 68.15 67.18 2cug h THR 76 CO -0.58 0.12 0.45 -1.13 0.37 0.00 0.00 175.52 174.75 2cug h ASN 77 N 0.65 0.55 -0.13 4.18 -1.24 0.50 -0.30 115.58 119.79 2cug h ASN 77 Ca 0.27 0.09 0.03 0.00 0.71 0.00 0.00 56.30 57.40 2cug h ASN 77 Cb 0.15 -0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.14 2cug h ASN 77 CO -0.16 0.24 -0.47 0.22 -1.29 0.00 0.00 177.43 175.97 2cug h TYR 78 N 0.64 -1.39 -0.56 0.67 5.03 -0.42 0.18 116.97 121.12 2cug h TYR 78 Ca 0.46 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.81 2cug h TYR 78 Cb 0.64 0.62 -0.03 0.00 1.55 0.00 0.00 36.73 39.52 2cug h TYR 78 CO -0.09 -0.47 0.29 0.22 -1.32 0.00 0.00 178.16 176.80 2cug h ASP 79 N -0.49 0.72 -0.45 -2.11 1.82 -1.49 -2.08 116.42 112.34 2cug h ASP 79 Ca 0.03 -0.11 0.13 0.00 -0.39 0.00 0.00 57.03 56.69 2cug h ASP 79 Cb 0.58 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 2cug h ASP 79 CO -0.38 0.62 0.35 0.45 -1.61 0.00 0.00 179.24 178.67 2cug h HIS 80 N 0.76 0.00 0.00 0.28 3.86 -0.37 0.34 115.15 120.02 2cug h HIS 80 Ca 0.20 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 2cug h HIS 80 Cb 0.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2cug h HIS 80 CO -0.01 0.00 -0.11 -0.92 0.86 0.00 0.00 177.93 177.75 2cug h TYR 81 N 0.00 0.00 -0.82 2.45 5.03 0.08 -3.47 116.97 120.24 2cug h TYR 81 Ca 0.21 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2cug h TYR 81 Cb 0.90 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.18 2cug h TYR 81 CO 0.00 0.11 0.00 0.41 -1.32 0.00 0.00 178.16 177.36 2cug n GLY 82 N 0.11 0.91 3.77 1.82 0.00 0.12 -5.05 105.19 106.88 2cug n GLY 82 Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2cug n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cug s SER 83 N -2.93 6.83 0.00 1.61 0.15 -1.25 -4.89 113.70 113.22 2cug s SER 83 Ca 0.00 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2cug s SER 83 Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2cug s SER 83 CO 0.00 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2cug n GLY 84 N 2.53 0.53 0.11 9.45 0.00 -1.26 -4.85 105.19 111.71 2cug n GLY 84 Ca -0.09 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 5.02 0.26 -6.74 1.61 0.13 -2.04 -3.44 132.00 126.80 2cug h PRO 85 Ca 0.00 -0.14 -0.53 0.00 -0.87 0.00 0.00 66.00 64.47 2cug h PRO 85 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2cug h PRO 85 CO 0.00 0.67 0.76 -1.54 -0.23 0.00 0.00 178.00 177.67 2cug s SER 86 N -6.01 6.65 -0.08 1.44 1.04 -1.26 -4.96 113.70 110.52 2cug s SER 86 Ca -0.15 2.67 -0.01 0.00 0.48 0.00 0.00 55.95 58.94 2cug s SER 86 Cb 0.04 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 2cug s SER 86 CO 0.73 -0.71 -0.02 0.28 0.98 0.00 0.00 173.24 174.50 2cug h SER 87 N 5.09 0.00 0.00 7.02 0.02 -1.90 -3.44 113.55 120.34 2cug h SER 87 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2cug h SER 87 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2cug h SER 87 CO 0.78 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 177.49