#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 6.41 -1.54 1.61 0.01 -1.26 -1.87 113.70 117.06 2cug s SER 2 Ca 0.00 2.79 -0.13 0.00 1.31 0.00 0.00 55.95 59.91 2cug s SER 2 Cb 0.00 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.75 2cug s SER 2 CO 0.00 -1.02 0.95 -1.54 0.41 0.00 0.00 173.24 172.04 2cug n SER 3 N 5.76 -4.44 -4.81 2.44 3.41 -1.26 -4.93 113.62 109.79 2cug n SER 3 Ca 0.18 -0.81 -0.33 0.00 -0.26 0.00 0.00 58.87 57.65 2cug n SER 3 Cb 0.38 -3.77 -0.01 0.00 -0.26 0.00 0.00 64.21 60.55 2cug n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cug s GLY 4 N -3.37 2.23 -0.02 5.00 0.00 -0.78 -5.00 107.32 105.37 2cug s GLY 4 Ca 0.63 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.47 2cug s GLY 4 CO 0.84 0.73 1.08 -0.56 0.00 0.00 0.00 173.10 175.19 2cug s SER 5 N -2.59 7.22 0.04 1.64 0.01 -1.26 -4.93 113.70 113.82 2cug s SER 5 Ca 0.64 1.73 0.07 0.00 1.31 0.00 0.00 55.95 59.70 2cug s SER 5 Cb -0.15 -2.57 -0.23 0.00 0.21 0.00 0.00 66.02 63.29 2cug s SER 5 CO 0.31 -0.41 0.99 0.77 0.41 0.00 0.00 173.24 175.30 2cug h SER 6 N 7.00 0.06 -0.18 2.44 4.64 -2.01 -3.46 113.55 122.04 2cug h SER 6 Ca -0.37 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2cug h SER 6 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2cug h SER 6 CO 0.81 1.08 0.00 0.61 -0.87 0.00 0.00 176.83 178.46 2cug n GLY 7 N 1.48 -0.03 3.45 -0.77 0.00 -1.26 -4.73 105.19 103.33 2cug n GLY 7 Ca -0.09 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.02 1.93 -0.10 -0.61 -0.00 -1.26 -4.98 121.20 116.16 2cug s ILE 8 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.46 2cug s ILE 8 Cb 0.00 -2.03 -0.04 0.00 -0.00 0.00 0.00 42.46 40.39 2cug s ILE 8 CO 0.00 0.00 0.51 -1.48 -0.00 0.00 0.00 174.94 173.97 2cug s LEU 9 N -7.38 4.30 -0.21 0.37 2.34 -1.26 -5.03 118.68 111.81 2cug s LEU 9 Ca 0.69 0.88 0.01 0.00 0.06 0.00 0.00 54.13 55.77 2cug s LEU 9 Cb -0.25 -2.75 0.04 0.00 -0.56 0.00 0.00 46.19 42.68 2cug s LEU 9 CO 0.65 0.00 -0.12 -1.10 -1.06 0.00 0.00 176.35 174.73 2cug s GLN 10 N 0.54 2.18 -1.09 1.48 -1.52 -1.26 -4.73 119.66 115.26 2cug s GLN 10 Ca 0.27 -0.95 -0.04 0.00 -1.95 0.00 0.00 55.36 52.69 2cug s GLN 10 Cb -0.16 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.10 2cug s GLN 10 CO 0.12 -0.44 0.93 0.45 -0.25 0.00 0.00 175.29 176.11 2cug n SER 11 N 4.62 -4.15 -3.83 5.90 2.88 -1.26 -2.55 113.62 115.23 2cug n SER 11 Ca -0.15 -0.48 -0.28 0.00 -1.33 0.00 0.00 58.87 56.63 2cug n SER 11 Cb 0.46 -4.36 0.04 0.00 -0.75 0.00 0.00 64.21 59.60 2cug n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cug n LEU 12 N -4.02 -2.77 -0.15 2.46 4.32 -1.26 -4.87 117.00 110.70 2cug n LEU 12 Ca -0.10 -0.75 -0.03 0.00 -0.02 0.00 0.00 56.01 55.11 2cug n LEU 12 Cb 0.59 -2.65 0.06 0.00 -1.62 0.00 0.00 43.42 39.80 2cug n LEU 12 CO 0.53 0.49 0.91 -1.28 -1.22 0.00 0.00 177.39 176.82 2cug h SER 13 N -2.14 0.02 -4.10 -1.43 0.87 -1.83 -3.42 113.55 101.52 2cug h SER 13 Ca -0.58 0.08 -0.46 0.00 -1.23 0.00 0.00 61.79 59.60 2cug h SER 13 Cb 1.37 0.11 0.14 0.00 -0.44 0.00 0.00 62.40 63.58 2cug h SER 13 CO 0.64 0.04 0.26 0.00 -0.53 0.00 0.00 176.83 177.24 2cug s ALA 14 N -6.14 1.48 0.67 6.23 0.00 -1.26 -5.04 121.76 117.70 2cug s ALA 14 Ca -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 2cug s ALA 14 Cb 0.15 -3.08 0.08 0.00 0.00 0.00 0.00 23.12 20.27 2cug s ALA 14 CO 0.72 -2.46 0.94 -0.48 0.00 0.00 0.00 175.76 174.48 2cug s LEU 15 N -6.19 3.02 0.13 0.00 2.34 -1.26 -4.98 118.68 111.74 2cug s LEU 15 Ca 0.64 0.00 -0.26 0.00 0.06 0.00 0.00 54.13 54.58 2cug s LEU 15 Cb -0.16 -2.59 -0.06 0.00 -0.56 0.00 0.00 46.19 42.82 2cug s LEU 15 CO 0.55 -1.59 1.35 0.47 -1.06 0.00 0.00 176.35 176.06 2cug n ASP 16 N -2.74 -0.87 -4.08 1.48 8.00 -1.26 -4.60 116.55 112.48 2cug n ASP 16 Ca 0.11 1.54 -0.12 0.00 0.71 0.00 0.00 54.79 57.03 2cug n ASP 16 Cb 0.60 -0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 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 -5.25 0.66 0.10 1.24 -0.12 -1.26 -5.15 117.98 108.21 2cug s PHE 17 Ca -0.10 -0.61 -0.19 0.00 -0.05 0.00 0.00 56.93 55.98 2cug s PHE 17 Cb 0.09 -0.40 -0.07 0.00 -0.63 0.00 0.00 43.02 42.01 2cug s PHE 17 CO 0.51 -0.12 0.59 0.34 -0.05 0.00 0.00 175.22 176.49 2cug s ASP 18 N -1.92 7.05 0.25 1.98 2.15 -1.26 -4.99 116.67 119.93 2cug s ASP 18 Ca -0.06 1.28 0.02 0.00 0.43 0.00 0.00 52.55 54.22 2cug s ASP 18 Cb -0.06 -2.36 0.30 0.00 -0.30 0.00 0.00 42.92 40.49 2cug s ASP 18 CO -0.01 0.23 1.62 1.55 -0.17 0.00 0.00 175.17 178.38 2cug h PRO 19 N 4.28 0.41 0.00 4.34 0.13 -1.95 -1.99 132.00 137.23 2cug h PRO 19 Ca -0.49 -0.21 -0.12 0.00 -0.87 0.00 0.00 66.00 64.31 2cug h PRO 19 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2cug h PRO 19 CO 0.64 0.77 -0.56 1.88 -0.23 0.00 0.00 178.00 180.50 2cug h TYR 20 N 0.34 0.00 0.13 1.56 0.05 -1.88 -2.59 116.97 114.58 2cug h TYR 20 Ca 0.03 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.56 2cug h TYR 20 Cb 0.91 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.67 2cug h TYR 20 CO 0.03 0.56 -1.02 0.00 -1.05 0.00 0.00 178.16 176.68 2cug h ARG 21 N 0.00 0.46 0.77 4.88 2.47 -1.72 0.24 114.38 121.48 2cug h ARG 21 Ca -0.01 -0.67 -0.04 0.00 -1.26 0.00 0.00 59.98 58.01 2cug h ARG 21 Cb 1.14 0.23 0.01 0.00 -1.65 0.00 0.00 29.97 29.70 2cug h ARG 21 CO 0.07 1.30 -0.37 0.28 0.56 0.00 0.00 179.97 181.81 2cug h VAL 22 N -0.05 0.00 -0.31 2.04 2.07 -1.39 -3.07 116.25 115.55 2cug h VAL 22 Ca -0.17 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2cug h VAL 22 Cb 1.76 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2cug h VAL 22 CO 0.19 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.92 2cug h LEU 23 N -1.22 0.22 -0.52 2.57 3.38 -1.63 -3.47 115.31 114.65 2cug h LEU 23 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2cug h LEU 23 Cb 0.80 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2cug h LEU 23 CO 0.17 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.47 2cug n GLY 24 N -1.53 0.83 3.35 0.83 0.00 -0.93 -4.85 105.19 102.89 2cug n GLY 24 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.22 0.39 0.48 1.61 -7.23 0.79 -5.02 120.40 109.20 2cug s VAL 25 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2cug s VAL 25 Cb 0.00 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2cug s VAL 25 CO 0.00 0.00 0.01 -0.55 -0.31 0.00 0.00 175.10 174.25 2cug s SER 26 N -3.39 4.02 0.52 4.85 0.15 -1.26 -4.34 113.70 114.25 2cug s SER 26 Ca 0.35 -1.59 0.22 0.00 0.70 0.00 0.00 55.95 55.64 2cug s SER 26 Cb 0.05 0.30 1.33 0.00 -1.71 0.00 0.00 66.02 65.99 2cug s SER 26 CO 0.17 -0.76 2.02 0.08 1.20 0.00 0.00 173.24 175.95 2cug h ARG 27 N 1.47 0.05 0.00 5.44 -0.00 -2.02 0.26 114.38 119.58 2cug h ARG 27 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.54 2cug h ARG 27 Cb 1.30 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 2cug h ARG 27 CO 0.75 0.03 0.00 0.00 -0.00 0.00 0.00 179.97 180.76 2cug h THR 28 N 0.05 0.00 -2.94 0.08 1.03 -2.05 -3.42 112.91 105.66 2cug h THR 28 Ca 0.21 -0.35 -0.57 0.00 -0.01 0.00 0.00 66.41 65.69 2cug h THR 28 Cb 0.76 1.27 -0.04 0.00 -1.07 0.00 0.00 68.15 69.07 2cug h THR 28 CO -0.01 0.00 0.88 0.00 -0.01 0.00 0.00 175.52 176.38 2cug s ALA 29 N -3.66 3.66 0.51 0.00 0.00 0.93 -5.03 121.76 118.16 2cug s ALA 29 Ca 0.01 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.46 2cug s ALA 29 Cb 0.09 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.65 2cug s ALA 29 CO 0.47 -1.14 0.71 -1.12 0.00 0.00 0.00 175.76 174.68 2cug s SER 30 N 1.87 5.33 0.48 0.00 0.01 -1.26 -4.75 113.70 115.38 2cug s SER 30 Ca 0.54 -0.36 0.38 0.00 1.31 0.00 0.00 55.95 57.82 2cug s SER 30 Cb -0.21 -0.51 1.58 0.00 0.21 0.00 0.00 66.02 67.09 2cug s SER 30 CO 0.14 -1.07 1.58 1.56 0.41 0.00 0.00 173.24 175.86 2cug h GLN 31 N 0.29 0.01 0.20 12.44 1.08 -1.97 0.14 115.11 127.30 2cug h GLN 31 Ca -0.39 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.80 2cug h GLN 31 Cb 1.29 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 2cug h GLN 31 CO 0.46 0.00 -0.10 0.00 -0.95 0.00 0.00 178.83 178.25 2cug h ALA 32 N 1.42 -0.91 -0.72 3.87 0.00 -1.99 0.13 119.26 121.05 2cug h ALA 32 Ca 0.90 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.83 2cug h ALA 32 Cb 3.13 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 20.96 2cug h ALA 32 CO -0.32 -0.89 0.38 0.22 0.00 0.00 0.00 179.25 178.64 2cug h ASP 33 N -0.31 0.53 0.36 0.00 3.58 -1.43 -2.34 116.42 116.81 2cug h ASP 33 Ca -0.03 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2cug h ASP 33 Cb 0.21 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2cug h ASP 33 CO 0.05 0.32 -0.18 0.40 -2.88 0.00 0.00 179.24 176.94 2cug h ILE 34 N 0.67 0.00 -0.97 2.25 2.04 -0.84 -1.21 117.51 119.45 2cug h ILE 34 Ca 0.35 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.50 2cug h ILE 34 Cb 0.32 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.22 2cug h ILE 34 CO -0.24 0.00 0.10 1.17 0.00 0.00 0.00 178.15 179.18 2cug n LYS 35 N -3.37 -0.07 -0.11 2.37 4.81 0.46 0.22 118.16 122.47 2cug n LYS 35 Ca -0.06 1.43 -0.03 0.00 -0.87 0.00 0.00 58.31 58.77 2cug n LYS 35 Cb 0.20 -2.31 0.18 0.00 0.02 0.00 0.00 35.03 33.12 2cug n LYS 35 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2cug h LYS 36 N 0.00 0.78 -0.23 1.64 3.64 -1.27 -2.05 116.57 119.07 2cug h LYS 36 Ca 0.63 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.65 2cug h LYS 36 Cb 1.37 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2cug h LYS 36 CO -0.88 0.76 -0.54 0.00 -2.27 0.00 0.00 179.45 176.52 2cug h ALA 37 N 1.31 0.61 0.46 5.00 0.00 0.39 -2.61 119.26 124.43 2cug h ALA 37 Ca 0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2cug h ALA 37 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2cug h ALA 37 CO 0.01 0.68 -0.22 -0.92 0.00 0.00 0.00 179.25 178.81 2cug h TYR 38 N 0.53 -0.57 -0.38 0.00 3.20 -0.36 -1.85 116.97 117.55 2cug h TYR 38 Ca 0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.95 2cug h TYR 38 Cb 1.10 0.19 -0.09 0.00 1.54 0.00 0.00 36.73 39.47 2cug h TYR 38 CO 0.06 -0.36 -0.35 0.87 -1.64 0.00 0.00 178.16 176.74 2cug h LYS 39 N -0.75 -0.27 -0.61 1.82 1.57 -1.49 0.18 116.57 117.01 2cug h LYS 39 Ca -0.06 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2cug h LYS 39 Cb 0.47 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.74 2cug h LYS 39 CO 0.10 -0.18 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.56 2cug h LYS 40 N -0.28 0.10 0.80 3.15 3.64 -1.53 0.19 116.57 122.63 2cug h LYS 40 Ca 0.16 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2cug h LYS 40 Cb 0.55 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2cug h LYS 40 CO -0.53 0.07 -0.38 -0.07 -2.27 0.00 0.00 179.45 176.26 2cug h LEU 41 N 0.10 -0.91 -0.89 5.20 3.38 -0.28 -0.38 115.31 121.55 2cug h LEU 41 Ca 0.32 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.51 2cug h LEU 41 Cb 0.51 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 2cug h LEU 41 CO -0.53 -0.58 0.40 0.00 0.09 0.00 0.00 178.44 177.81 2cug h ALA 42 N -1.08 1.41 -0.42 1.53 0.00 -0.24 0.36 119.26 120.82 2cug h ALA 42 Ca -0.11 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2cug h ALA 42 Cb 0.83 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2cug h ALA 42 CO 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.12 2cug h ARG 43 N 0.43 0.74 0.69 0.00 3.08 -0.51 0.31 114.38 119.12 2cug h ARG 43 Ca 0.55 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 2cug h ARG 43 Cb 1.00 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.00 2cug h ARG 43 CO -0.51 0.82 -0.33 0.93 -1.07 0.00 0.00 179.97 179.82 2cug h GLU 44 N 0.58 -0.89 0.00 0.04 4.39 0.89 -2.96 114.58 116.62 2cug h GLU 44 Ca 0.12 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2cug h GLU 44 Cb 0.49 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2cug h GLU 44 CO 0.02 -0.59 0.00 0.91 -1.16 0.00 0.00 179.01 178.19 2cug n TRP 45 N -5.39 0.00 -1.67 4.33 7.02 0.10 -4.85 117.44 116.98 2cug n TRP 45 Ca -0.12 0.00 -0.49 0.00 -1.02 0.00 0.00 57.50 55.87 2cug n TRP 45 Cb 0.37 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.21 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 -0.55 2.22 0.09 -5.99 -0.00 0.11 -4.36 115.22 106.73 2cug n HIS 46 Ca 0.02 0.18 -0.03 0.00 0.46 0.00 0.00 57.72 58.36 2cug n HIS 46 Cb 0.01 -2.58 0.20 0.00 -0.12 0.00 0.00 29.99 27.49 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 7.69 0.24 -0.64 1.57 0.13 -1.88 -0.13 132.00 138.97 2cug h PRO 47 Ca -0.47 -0.13 0.15 0.00 -0.87 0.00 0.00 66.00 64.69 2cug h PRO 47 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 2cug h PRO 47 CO 0.92 0.66 0.44 0.22 -0.23 0.00 0.00 178.00 180.01 2cug h ASP 48 N 0.20 0.17 0.00 1.44 3.58 -1.96 -2.34 116.42 117.51 2cug h ASP 48 Ca 0.01 0.01 -0.31 0.00 0.42 0.00 0.00 57.03 57.16 2cug h ASP 48 Cb 0.89 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.86 2cug h ASP 48 CO 0.07 0.09 -2.17 1.17 -2.88 0.00 0.00 179.24 175.52 2cug n LYS 49 N -4.42 1.21 -2.16 0.28 4.81 -1.14 -4.97 118.16 111.78 2cug n LYS 49 Ca 0.12 -0.01 -0.41 0.00 -0.87 0.00 0.00 58.31 57.15 2cug n LYS 49 Cb 0.58 -1.44 -0.02 0.00 0.02 0.00 0.00 35.03 34.17 2cug n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2cug s ASN 50 N -5.10 6.83 -0.19 3.14 3.84 -0.08 -4.94 114.94 118.44 2cug s ASN 50 Ca -0.09 2.64 0.13 0.00 0.21 0.00 0.00 52.86 55.75 2cug s ASN 50 Cb 0.05 -2.65 -0.20 0.00 -0.55 0.00 0.00 41.25 37.90 2cug s ASN 50 CO 0.70 -0.49 0.01 0.29 -2.79 0.00 0.00 177.10 174.81 2cug n LYS 51 N 0.89 1.00 -1.70 0.43 4.76 -1.26 -4.82 118.16 117.45 2cug n LYS 51 Ca 0.00 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2cug n LYS 51 Cb 0.42 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 2cug n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cug s ASP 52 N -5.39 6.41 -0.50 4.39 1.01 -1.26 -4.89 116.67 116.44 2cug s ASP 52 Ca -0.13 2.78 -0.27 0.00 0.71 0.00 0.00 52.55 55.63 2cug s ASP 52 Cb 0.06 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2cug s ASP 52 CO 0.68 -1.01 1.79 -2.16 0.21 0.00 0.00 175.17 174.68 2cug s PRO 53 N 2.68 2.96 0.00 8.23 0.04 -1.26 -2.98 135.00 144.66 2cug s PRO 53 Ca 0.81 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2cug s PRO 53 Cb -0.47 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 29.79 2cug s PRO 53 CO 0.36 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.49 2cug n GLY 54 N 5.54 3.07 0.29 0.56 0.00 -1.26 -4.99 105.19 108.40 2cug n GLY 54 Ca 0.21 -0.38 0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 0.78 -0.31 4.61 0.00 -1.16 -0.08 120.51 124.35 2cug n ALA 55 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 53.44 54.30 2cug n ALA 55 Cb 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.76 0.00 4.81 -1.84 -0.67 114.58 116.03 2cug h GLU 56 Ca 0.69 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 60.01 2cug h GLU 56 Cb 1.75 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 31.05 2cug h GLU 56 CO -0.72 -0.06 -0.42 -3.47 -0.73 0.00 0.00 179.01 173.60 2cug n ASP 57 N -5.41 -0.75 0.24 1.04 -0.08 0.88 -0.26 116.55 112.21 2cug n ASP 57 Ca 0.05 1.35 -0.15 0.00 -1.51 0.00 0.00 54.79 54.53 2cug n ASP 57 Cb 0.36 -0.20 -0.08 0.00 2.34 0.00 0.00 41.12 43.54 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 -0.61 -0.98 -0.67 9.65 -1.29 -2.46 114.38 118.03 2cug h ARG 58 Ca 0.15 0.04 0.31 0.00 -1.10 0.00 0.00 59.98 59.38 2cug h ARG 58 Cb 0.34 0.14 -0.15 0.00 -1.39 0.00 0.00 29.97 28.91 2cug h ARG 58 CO -0.72 -0.40 0.50 0.35 2.80 0.00 0.00 179.97 182.49 2cug h PHE 59 N -0.63 0.81 -0.20 2.20 3.57 0.01 0.30 116.94 122.99 2cug h PHE 59 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2cug h PHE 59 Cb 0.52 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2cug h PHE 59 CO -0.10 -0.20 0.13 0.82 -2.23 0.00 0.00 178.31 176.73 2cug h ILE 60 N 0.28 1.07 -0.53 1.41 2.04 -0.35 -2.81 117.51 118.63 2cug h ILE 60 Ca 0.71 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.47 2cug h ILE 60 Cb 1.60 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 2cug h ILE 60 CO -0.63 0.07 0.25 1.56 0.00 0.00 0.00 178.15 179.40 2cug h GLN 61 N 0.26 0.47 -0.90 2.37 1.08 -0.22 -1.80 115.11 116.37 2cug h GLN 61 Ca 0.07 -0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.45 2cug h GLN 61 Cb -0.00 -0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 27.20 2cug h GLN 61 CO -0.01 0.31 0.43 0.82 -0.95 0.00 0.00 178.83 179.43 2cug h ILE 62 N 0.49 0.55 -0.27 2.54 2.04 -1.11 0.21 117.51 121.96 2cug h ILE 62 Ca 0.24 -0.17 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 2cug h ILE 62 Cb 0.17 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2cug h ILE 62 CO -0.18 0.09 -0.35 -1.28 0.00 0.00 0.00 178.15 176.43 2cug h SER 63 N 0.48 0.78 -0.20 1.72 0.87 -1.23 -2.87 113.55 113.10 2cug h SER 63 Ca 0.54 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2cug h SER 63 Cb 0.97 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2cug h SER 63 CO -0.48 1.12 0.12 0.11 -0.53 0.00 0.00 176.83 177.17 2cug h LYS 64 N 0.45 0.27 -0.27 2.24 1.79 -0.28 0.23 116.57 121.00 2cug h LYS 64 Ca 0.03 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2cug h LYS 64 Cb 0.93 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.48 2cug h LYS 64 CO 0.08 0.22 -0.06 0.00 -1.08 0.00 0.00 179.45 178.61 2cug h ALA 65 N 1.04 0.19 -0.08 3.86 0.00 -0.71 -2.74 119.26 120.82 2cug h ALA 65 Ca 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2cug h ALA 65 Cb 0.02 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2cug h ALA 65 CO -0.01 -0.46 -0.00 -0.92 0.00 0.00 0.00 179.25 177.85 2cug h TYR 66 N 0.01 0.16 -0.96 0.00 3.20 -1.33 -3.06 116.97 114.99 2cug h TYR 66 Ca 0.13 -0.03 0.36 0.00 3.14 0.00 0.00 58.73 62.33 2cug h TYR 66 Cb 0.20 -0.04 -0.18 0.00 1.54 0.00 0.00 36.73 38.25 2cug h TYR 66 CO -0.26 0.42 0.34 0.39 -1.64 0.00 0.00 178.16 177.42 2cug n GLU 67 N -4.83 -0.06 0.37 1.82 -0.58 0.79 0.12 120.64 118.26 2cug n GLU 67 Ca -0.06 1.37 -0.16 0.00 -0.42 0.00 0.00 57.16 57.88 2cug n GLU 67 Cb 0.20 -2.35 -0.08 0.00 -0.57 0.00 0.00 31.44 28.64 2cug n GLU 67 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2cug h ILE 68 N 0.00 0.20 0.58 -3.67 2.04 -1.39 -2.67 117.51 112.59 2cug h ILE 68 Ca 0.74 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 66.35 2cug h ILE 68 Cb 1.83 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2cug h ILE 68 CO -0.80 0.02 -0.28 -0.07 0.00 0.00 0.00 178.15 177.02 2cug h LEU 69 N -1.11 -0.66 -0.72 1.44 3.38 -0.67 0.26 115.31 117.22 2cug h LEU 69 Ca -0.10 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.02 2cug h LEU 69 Cb 0.75 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.54 2cug h LEU 69 CO 0.16 -0.33 -0.25 -0.24 0.09 0.00 0.00 178.44 177.87 2cug n SER 70 N -4.88 -0.40 -4.70 -0.43 2.88 0.32 -4.05 113.62 102.36 2cug n SER 70 Ca -0.10 1.26 -0.42 0.00 -1.33 0.00 0.00 58.87 58.28 2cug n SER 70 Cb 0.31 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.42 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 -5.23 7.20 0.08 -3.46 0.01 -1.01 -4.96 114.94 107.57 2cug s ASN 71 Ca -0.10 1.75 -0.32 0.00 -0.71 0.00 0.00 52.86 53.48 2cug s ASN 71 Cb 0.16 -2.57 -0.17 0.00 0.41 0.00 0.00 41.25 39.09 2cug s ASN 71 CO 0.53 -0.42 1.63 -0.33 -1.51 0.00 0.00 177.10 177.01 2cug h GLU 72 N 7.01 -0.77 -0.79 -0.60 5.08 -1.82 0.11 114.58 122.80 2cug h GLU 72 Ca -0.37 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2cug h GLU 72 Cb 1.19 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.51 2cug h GLU 72 CO 0.82 -0.51 -0.56 1.49 -1.00 0.00 0.00 179.01 179.24 2cug h GLU 73 N -0.80 -0.11 0.73 2.33 4.57 -1.92 0.17 114.58 119.55 2cug h GLU 73 Ca -0.07 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2cug h GLU 73 Cb 0.64 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2cug h GLU 73 CO 0.09 -0.08 -0.41 0.87 -1.18 0.00 0.00 179.01 178.30 2cug h LYS 74 N -0.12 -1.03 -0.91 1.92 6.56 -1.73 -0.69 116.57 120.58 2cug h LYS 74 Ca 0.13 0.07 0.09 0.00 -1.06 0.00 0.00 60.65 59.88 2cug h LYS 74 Cb 0.45 0.23 -0.12 0.00 -0.57 0.00 0.00 32.23 32.23 2cug h LYS 74 CO -0.81 -0.69 -0.57 -0.09 -2.06 0.00 0.00 179.45 175.24 2cug h ARG 75 N -1.07 -0.06 0.22 3.15 2.43 0.16 -0.77 114.38 118.44 2cug h ARG 75 Ca -0.10 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2cug h ARG 75 Cb 0.85 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2cug h ARG 75 CO 0.12 -0.04 -0.26 1.15 -1.51 0.00 0.00 179.97 179.43 2cug h THR 76 N -0.06 0.44 -1.15 0.20 2.02 -0.64 -2.02 112.91 111.70 2cug h THR 76 Ca 0.16 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.76 2cug h THR 76 Cb 0.45 0.44 -0.14 0.00 -1.74 0.00 0.00 68.15 67.16 2cug h THR 76 CO -0.89 0.00 0.71 -3.20 0.37 0.00 0.00 175.52 172.51 2cug n ASN 77 N -5.38 0.23 0.26 4.18 5.15 -0.27 -0.17 115.26 119.26 2cug n ASN 77 Ca -0.08 1.35 -0.11 0.00 -0.60 0.00 0.00 54.58 55.14 2cug n ASN 77 Cb 0.29 -0.66 -0.05 0.00 -0.53 0.00 0.00 39.78 38.83 2cug n ASN 77 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2cug h TYR 78 N 0.00 -0.67 -0.47 1.20 5.03 -0.70 -2.68 116.97 118.68 2cug h TYR 78 Ca 0.80 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 62.18 2cug h TYR 78 Cb 2.43 0.22 -0.07 0.00 1.55 0.00 0.00 36.73 40.85 2cug h TYR 78 CO -0.01 -0.41 0.03 0.22 -1.32 0.00 0.00 178.16 176.67 2cug h ASP 79 N -1.19 -0.14 -0.59 -2.11 3.58 -0.41 0.59 116.42 116.15 2cug h ASP 79 Ca -0.07 0.10 0.13 0.00 0.42 0.00 0.00 57.03 57.61 2cug h ASP 79 Cb 0.56 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2cug h ASP 79 CO 0.12 -0.04 0.41 -0.74 -2.88 0.00 0.00 179.24 176.11 2cug h HIS 80 N 0.14 0.26 0.00 0.28 2.76 -0.78 0.28 115.15 118.09 2cug h HIS 80 Ca 0.24 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2cug h HIS 80 Cb 0.34 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 2cug h HIS 80 CO -0.28 0.11 -0.09 -0.92 -1.30 0.00 0.00 177.93 175.46 2cug h TYR 81 N 0.24 0.00 0.00 5.26 5.03 -0.52 -3.46 116.97 123.52 2cug h TYR 81 Ca 0.28 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.59 2cug h TYR 81 Cb 0.79 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.07 2cug h TYR 81 CO -0.00 0.09 0.00 0.41 -1.32 0.00 0.00 178.16 177.34 2cug n GLY 82 N -0.11 1.15 0.33 1.82 0.00 0.96 -5.03 105.19 104.31 2cug n GLY 82 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2cug n GLY 82 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cug h SER 83 N 0.00 -1.01 -2.88 1.61 0.87 -1.50 -3.41 113.55 107.23 2cug h SER 83 Ca 0.00 0.24 -0.45 0.00 -1.23 0.00 0.00 61.79 60.35 2cug h SER 83 Cb 0.00 0.56 0.05 0.00 -0.44 0.00 0.00 62.40 62.57 2cug h SER 83 CO 0.00 -0.28 0.02 -0.83 -0.53 0.00 0.00 176.83 175.21 2cug s GLY 84 N -3.46 1.74 0.10 5.77 0.00 -1.26 -5.02 107.32 105.19 2cug s GLY 84 Ca -0.14 -1.16 -0.15 0.00 0.00 0.00 0.00 44.72 43.27 2cug s GLY 84 CO 0.72 -0.87 1.42 -0.56 0.00 0.00 0.00 173.10 173.82 2cug h PRO 85 N -0.03 0.72 -3.38 2.90 0.13 -1.85 -3.42 132.00 127.06 2cug h PRO 85 Ca -0.43 -0.38 -0.47 0.00 -0.87 0.00 0.00 66.00 63.84 2cug h PRO 85 Cb 1.29 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.04 2cug h PRO 85 CO 0.55 1.00 -0.76 -1.12 -0.23 0.00 0.00 178.00 177.44 2cug s SER 86 N -6.57 2.36 -0.31 1.44 0.01 -1.26 -5.11 113.70 104.26 2cug s SER 86 Ca -0.12 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.54 2cug s SER 86 Cb 0.09 -0.41 0.04 0.00 0.21 0.00 0.00 66.02 65.94 2cug s SER 86 CO 0.83 -0.30 0.05 -0.44 0.41 0.00 0.00 173.24 173.79 2cug s SER 87 N 2.00 5.04 0.00 2.44 0.01 -1.26 -5.18 113.70 116.75 2cug s SER 87 Ca 0.01 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.18 2cug s SER 87 Cb -0.16 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2cug s SER 87 CO -0.07 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.92