#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 4.70 -0.14 1.61 0.01 -1.26 -5.02 113.70 113.60 2cug s SER 2 Ca 0.00 2.64 0.02 0.00 1.31 0.00 0.00 55.95 59.92 2cug s SER 2 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2cug s SER 2 CO 0.00 -1.94 -0.22 -0.94 0.41 0.00 0.00 173.24 170.55 2cug s SER 3 N -1.35 3.12 0.00 2.44 1.04 -1.26 -5.13 113.70 112.57 2cug s SER 3 Ca 0.81 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2cug s SER 3 Cb -0.38 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2cug s SER 3 CO 0.40 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.31 2cug n GLY 4 N 4.13 -1.74 3.69 7.32 0.00 -1.26 -5.05 105.19 112.28 2cug n GLY 4 Ca -0.20 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 2cug n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cug s SER 5 N -1.54 5.00 0.07 1.61 1.04 -1.26 -5.05 113.70 113.57 2cug s SER 5 Ca 0.00 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 55.95 2cug s SER 5 Cb 0.00 -1.18 -0.13 0.00 0.10 0.00 0.00 66.02 64.82 2cug s SER 5 CO 0.00 0.16 1.42 -1.28 0.98 0.00 0.00 173.24 174.52 2cug h SER 6 N 3.31 -1.09 -6.83 7.02 0.87 -2.08 -3.46 113.55 111.28 2cug h SER 6 Ca -0.48 0.09 -0.57 0.00 -1.23 0.00 0.00 61.79 59.61 2cug h SER 6 Cb 1.17 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 63.46 2cug h SER 6 CO 0.59 -0.49 -0.98 0.61 -0.53 0.00 0.00 176.83 176.03 2cug n GLY 7 N -1.41 -0.65 3.79 5.77 0.00 -1.26 -4.91 105.19 106.52 2cug n GLY 7 Ca -0.09 0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.75 3.53 -0.24 -0.61 -0.00 -1.26 -5.05 121.20 113.82 2cug s ILE 8 Ca 0.34 0.50 0.01 0.00 -0.00 0.00 0.00 60.65 61.50 2cug s ILE 8 Cb -0.18 -3.15 0.06 0.00 -0.00 0.00 0.00 42.46 39.19 2cug s ILE 8 CO 0.96 -0.65 -0.07 -0.22 -0.00 0.00 0.00 174.94 174.96 2cug s LEU 9 N -5.75 2.75 0.60 0.37 1.98 -1.26 -5.11 118.68 112.25 2cug s LEU 9 Ca 0.60 -1.21 -0.20 0.00 -2.89 0.00 0.00 54.13 50.44 2cug s LEU 9 Cb -0.15 -1.27 -0.03 0.00 0.66 0.00 0.00 46.19 45.40 2cug s LEU 9 CO 0.55 -0.22 1.29 0.00 -1.89 0.00 0.00 176.35 176.09 2cug s GLN 10 N 1.33 2.88 -0.15 1.98 0.00 -1.26 -4.98 119.66 119.46 2cug s GLN 10 Ca -0.06 2.06 -0.14 0.00 -0.00 0.00 0.00 55.36 57.21 2cug s GLN 10 Cb -0.19 -2.02 -0.11 0.00 0.00 0.00 0.00 33.01 30.70 2cug s GLN 10 CO -0.06 -1.34 0.12 0.66 0.00 0.00 0.00 175.29 174.67 2cug h SER 11 N 0.97 0.00 -3.70 12.60 4.64 -2.08 -3.48 113.55 122.51 2cug h SER 11 Ca -0.51 -0.31 -0.24 0.00 -0.47 0.00 0.00 61.79 60.27 2cug h SER 11 Cb 1.31 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.12 2cug h SER 11 CO 0.55 0.95 -0.71 -0.76 -0.87 0.00 0.00 176.83 175.99 2cug s LEU 12 N -8.19 1.81 0.03 5.97 1.02 -1.26 -5.16 118.68 112.89 2cug s LEU 12 Ca -0.16 0.03 0.06 0.00 0.02 0.00 0.00 54.13 54.08 2cug s LEU 12 Cb 0.02 0.03 -0.03 0.00 0.02 0.00 0.00 46.19 46.23 2cug s LEU 12 CO 0.35 -0.02 -0.14 -0.44 0.02 0.00 0.00 176.35 176.12 2cug s SER 13 N 0.18 4.08 0.23 2.29 0.01 -1.26 -4.97 113.70 114.26 2cug s SER 13 Ca -0.01 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 2cug s SER 13 Cb -0.02 -0.77 0.24 0.00 0.21 0.00 0.00 66.02 65.67 2cug s SER 13 CO -0.01 0.27 1.78 0.00 0.41 0.00 0.00 173.24 175.69 2cug h ALA 14 N 4.55 1.08 -2.28 1.44 0.00 -1.94 -3.46 119.26 118.66 2cug h ALA 14 Ca -0.48 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 53.73 2cug h ALA 14 Cb 1.16 -0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 2cug h ALA 14 CO 0.50 0.62 -0.52 -0.48 0.00 0.00 0.00 179.25 179.37 2cug s LEU 15 N -9.51 1.81 0.04 0.00 2.34 -1.26 -5.06 118.68 107.04 2cug s LEU 15 Ca -0.11 -1.67 -0.08 0.00 0.06 0.00 0.00 54.13 52.32 2cug s LEU 15 Cb 0.15 0.21 -0.02 0.00 -0.56 0.00 0.00 46.19 45.98 2cug s LEU 15 CO 0.83 -0.97 0.91 0.47 -1.06 0.00 0.00 176.35 176.53 2cug n ASP 16 N -1.28 -0.28 -4.30 1.48 8.00 -1.26 -4.64 116.55 114.27 2cug n ASP 16 Ca 0.01 0.97 -0.16 0.00 0.71 0.00 0.00 54.79 56.32 2cug n ASP 16 Cb 0.64 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 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 -3.82 1.48 -0.08 1.24 -0.12 -1.26 -5.00 117.98 110.42 2cug s PHE 17 Ca -0.03 -0.79 -0.03 0.00 -0.05 0.00 0.00 56.93 56.03 2cug s PHE 17 Cb 0.03 -0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 2cug s PHE 17 CO 0.16 0.08 0.05 0.34 -0.05 0.00 0.00 175.22 175.81 2cug s ASP 18 N -3.26 5.59 0.20 1.98 2.15 -1.26 -4.99 116.67 117.08 2cug s ASP 18 Ca 0.23 0.22 -0.03 0.00 0.43 0.00 0.00 52.55 53.39 2cug s ASP 18 Cb 0.03 -1.64 0.15 0.00 -0.30 0.00 0.00 42.92 41.16 2cug s ASP 18 CO 0.05 0.36 1.56 1.55 -0.17 0.00 0.00 175.17 178.53 2cug h PRO 19 N 4.90 0.64 -0.32 4.34 0.13 -1.96 -2.17 132.00 137.55 2cug h PRO 19 Ca -0.51 -0.33 -0.18 0.00 -0.87 0.00 0.00 66.00 64.10 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 0.57 0.94 -0.49 1.88 -0.23 0.00 0.00 178.00 180.67 2cug h TYR 20 N 0.52 1.11 -0.09 1.56 -1.99 -1.88 -2.03 116.97 114.17 2cug h TYR 20 Ca 0.04 -0.37 -0.01 0.00 2.00 0.00 0.00 58.73 60.39 2cug h TYR 20 Cb 0.94 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 39.45 2cug h TYR 20 CO 0.04 1.20 -0.00 0.00 -0.00 0.00 0.00 178.16 179.40 2cug h ARG 21 N 0.70 0.15 0.52 4.88 2.47 -1.78 0.14 114.38 121.47 2cug h ARG 21 Ca 0.03 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2cug h ARG 21 Cb 1.09 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2cug h ARG 21 CO 0.11 0.43 -0.27 0.28 0.56 0.00 0.00 179.97 181.08 2cug h VAL 22 N -0.13 0.45 -0.85 2.04 2.07 -1.43 -2.94 116.25 115.45 2cug h VAL 22 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2cug h VAL 22 Cb 0.36 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2cug h VAL 22 CO 0.01 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.08 2cug h LEU 23 N -0.73 0.99 -0.18 2.57 3.38 -1.42 -3.48 115.31 116.44 2cug h LEU 23 Ca -0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2cug h LEU 23 Cb 0.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2cug h LEU 23 CO 0.10 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2cug n GLY 24 N -1.31 0.62 3.10 0.83 0.00 0.34 -4.87 105.19 103.90 2cug n GLY 24 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.43 0.61 0.49 1.61 -7.23 -0.35 -5.04 120.40 109.07 2cug s VAL 25 Ca 0.00 -1.36 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2cug s VAL 25 Cb 0.00 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 36.00 2cug s VAL 25 CO 0.00 -0.53 0.50 -0.44 -0.31 0.00 0.00 175.10 174.32 2cug s SER 26 N -2.04 4.98 0.21 4.85 0.01 -1.26 -4.51 113.70 115.93 2cug s SER 26 Ca -0.03 -0.90 -0.18 0.00 1.31 0.00 0.00 55.95 56.15 2cug s SER 26 Cb -0.05 -0.06 0.18 0.00 0.21 0.00 0.00 66.02 66.30 2cug s SER 26 CO -0.01 -0.97 1.58 0.08 0.41 0.00 0.00 173.24 174.33 2cug h ARG 27 N 0.70 -0.09 -1.29 12.44 0.11 -2.02 0.50 114.38 124.73 2cug h ARG 27 Ca -0.37 0.01 0.41 0.00 0.10 0.00 0.00 59.98 60.12 2cug h ARG 27 Cb 1.28 0.02 -0.12 0.00 1.11 0.00 0.00 29.97 32.27 2cug h ARG 27 CO 0.52 -0.06 0.84 1.15 0.10 0.00 0.00 179.97 182.52 2cug h THR 28 N -0.10 0.20 -2.70 0.08 2.02 -2.06 -3.38 112.91 106.97 2cug h THR 28 Ca 0.28 -0.05 -0.54 0.00 0.77 0.00 0.00 66.41 66.88 2cug h THR 28 Cb 0.57 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2cug h THR 28 CO -0.77 0.02 1.01 0.00 0.37 0.00 0.00 175.52 176.14 2cug s ALA 29 N -5.31 3.63 0.54 6.16 0.00 0.17 -5.01 121.76 121.96 2cug s ALA 29 Ca -0.08 1.02 0.09 0.00 0.00 0.00 0.00 51.96 52.99 2cug s ALA 29 Cb 0.29 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2cug s ALA 29 CO 0.82 -1.20 0.68 -1.12 0.00 0.00 0.00 175.76 174.94 2cug s SER 30 N 2.72 5.08 0.33 0.00 0.01 -1.26 -4.83 113.70 115.75 2cug s SER 30 Ca 0.72 -0.86 0.10 0.00 1.31 0.00 0.00 55.95 57.21 2cug s SER 30 Cb -0.35 0.17 0.98 0.00 0.21 0.00 0.00 66.02 67.03 2cug s SER 30 CO 0.30 -1.20 1.62 -0.61 0.41 0.00 0.00 173.24 173.76 2cug h GLN 31 N 0.37 0.15 0.54 12.44 5.75 -1.96 0.71 115.11 133.11 2cug h GLN 31 Ca -0.33 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.14 2cug h GLN 31 Cb 1.29 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 2cug h GLN 31 CO 0.45 0.10 -0.39 0.00 -2.65 0.00 0.00 178.83 176.34 2cug h ALA 32 N 1.89 -1.15 -0.64 3.38 0.00 -2.00 -0.41 119.26 120.33 2cug h ALA 32 Ca 0.69 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.51 2cug h ALA 32 Cb 1.57 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 19.84 2cug h ALA 32 CO -0.72 -1.14 0.27 0.22 0.00 0.00 0.00 179.25 177.88 2cug h ASP 33 N -0.89 0.30 -0.38 0.00 1.82 -1.50 -1.97 116.42 113.80 2cug h ASP 33 Ca -0.07 0.07 0.07 0.00 -0.39 0.00 0.00 57.03 56.71 2cug h ASP 33 Cb 0.74 0.03 -0.06 0.00 0.68 0.00 0.00 39.33 40.72 2cug h ASP 33 CO 0.03 0.17 0.02 0.40 -1.61 0.00 0.00 179.24 178.26 2cug h ILE 34 N 0.47 0.74 0.13 2.25 2.04 -0.75 0.22 117.51 122.60 2cug h ILE 34 Ca 0.32 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.14 2cug h ILE 34 Cb 0.37 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2cug h ILE 34 CO -0.29 0.02 -0.42 0.50 0.00 0.00 0.00 178.15 177.96 2cug h LYS 35 N 0.13 -0.59 -0.69 2.37 3.64 -0.30 0.41 116.57 121.54 2cug h LYS 35 Ca 0.18 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2cug h LYS 35 Cb 0.25 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 2cug h LYS 35 CO -0.29 -0.40 0.39 0.87 -2.27 0.00 0.00 179.45 177.75 2cug h LYS 36 N -0.62 0.68 -1.00 1.90 1.57 -1.29 -1.68 116.57 116.15 2cug h LYS 36 Ca -0.01 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2cug h LYS 36 Cb 0.61 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 2cug h LYS 36 CO -0.21 0.45 0.65 0.00 -0.57 0.00 0.00 179.45 179.78 2cug h ALA 37 N 1.36 1.35 0.58 3.86 0.00 -0.03 -2.59 119.26 123.79 2cug h ALA 37 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2cug h ALA 37 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2cug h ALA 37 CO -0.19 0.56 -0.42 -0.92 0.00 0.00 0.00 179.25 178.28 2cug h TYR 38 N 1.27 -1.13 -0.75 0.00 3.20 0.76 -2.69 116.97 117.64 2cug h TYR 38 Ca 0.39 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.42 2cug h TYR 38 Cb -0.01 0.42 -0.11 0.00 1.54 0.00 0.00 36.73 38.57 2cug h TYR 38 CO -0.00 -0.61 0.19 0.87 -1.64 0.00 0.00 178.16 176.97 2cug h LYS 39 N -0.97 0.27 -0.34 1.82 6.56 -1.32 -1.14 116.57 121.45 2cug h LYS 39 Ca -0.07 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.55 2cug h LYS 39 Cb 0.81 -0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 32.33 2cug h LYS 39 CO 0.03 0.18 -0.52 0.87 -2.06 0.00 0.00 179.45 177.94 2cug h LYS 40 N 0.28 -0.41 0.52 3.15 1.57 -1.14 0.40 116.57 120.93 2cug h LYS 40 Ca 0.42 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 2cug h LYS 40 Cb 0.73 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2cug h LYS 40 CO -0.51 -0.28 -0.28 -0.07 -0.57 0.00 0.00 179.45 177.74 2cug h LEU 41 N -0.43 -0.69 -1.17 2.94 3.38 -1.14 -1.92 115.31 116.28 2cug h LEU 41 Ca 0.08 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.35 2cug h LEU 41 Cb 0.62 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 2cug h LEU 41 CO -0.55 -0.46 0.64 0.00 0.09 0.00 0.00 178.44 178.15 2cug h ALA 42 N -0.28 2.03 -0.32 1.53 0.00 -0.78 0.32 119.26 121.76 2cug h ALA 42 Ca -0.07 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2cug h ALA 42 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2cug h ALA 42 CO 0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 179.25 178.81 2cug h ARG 43 N 0.46 0.59 0.46 0.00 3.08 0.23 0.36 114.38 119.56 2cug h ARG 43 Ca 0.64 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.46 2cug h ARG 43 Cb 1.44 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2cug h ARG 43 CO -0.41 0.75 -0.22 0.93 -1.07 0.00 0.00 179.97 179.95 2cug h GLU 44 N 0.37 -0.59 -0.21 0.04 4.39 0.03 -3.06 114.58 115.55 2cug h GLU 44 Ca 0.09 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2cug h GLU 44 Cb 0.51 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2cug h GLU 44 CO 0.02 -0.31 0.00 0.91 -1.16 0.00 0.00 179.01 178.48 2cug n TRP 45 N -5.21 0.00 -1.64 4.33 7.02 0.84 -4.85 117.44 117.94 2cug n TRP 45 Ca -0.09 -0.00 -0.51 0.00 -1.02 0.00 0.00 57.50 55.88 2cug n TRP 45 Cb 0.29 -0.02 -0.06 0.00 -2.42 0.00 0.00 31.31 29.10 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 -0.39 2.09 0.23 -5.99 -0.00 0.13 -4.26 115.22 107.02 2cug n HIS 46 Ca 0.00 0.18 0.10 0.00 0.46 0.00 0.00 57.72 58.46 2cug n HIS 46 Cb 0.05 -2.59 0.52 0.00 -0.12 0.00 0.00 29.99 27.85 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 9.70 0.00 -0.30 1.57 0.13 -1.85 0.15 132.00 141.40 2cug h PRO 47 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2cug h PRO 47 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2cug h PRO 47 CO 0.97 0.21 -0.25 -0.44 -0.23 0.00 0.00 178.00 178.26 2cug h ASP 48 N 0.00 0.60 0.17 1.44 5.19 -1.95 -3.22 116.42 118.66 2cug h ASP 48 Ca -0.00 -0.21 -0.34 0.00 -0.62 0.00 0.00 57.03 55.86 2cug h ASP 48 Cb 0.66 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.94 2cug h ASP 48 CO 0.03 0.84 -2.15 1.17 -3.12 0.00 0.00 179.24 176.01 2cug n LYS 49 N -4.11 0.67 -2.17 3.56 4.81 -1.12 -4.85 118.16 114.94 2cug n LYS 49 Ca -0.00 0.10 -0.42 0.00 -0.87 0.00 0.00 58.31 57.11 2cug n LYS 49 Cb 0.42 -1.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.83 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 -5.69 5.99 0.06 3.14 0.01 0.51 -4.87 114.94 114.09 2cug s ASN 50 Ca -0.08 0.88 -0.16 0.00 -0.71 0.00 0.00 52.86 52.78 2cug s ASN 50 Cb 0.07 -2.53 -0.18 0.00 0.41 0.00 0.00 41.25 39.02 2cug s ASN 50 CO 0.83 -1.71 1.25 0.50 -1.51 0.00 0.00 177.10 176.46 2cug h LYS 51 N 12.18 0.60 -6.49 -0.60 3.11 -1.89 -3.45 116.57 120.04 2cug h LYS 51 Ca -0.30 -0.50 -0.60 0.00 -2.81 0.00 0.00 60.65 56.44 2cug h LYS 51 Cb 1.14 0.11 0.07 0.00 -1.00 0.00 0.00 32.23 32.54 2cug h LYS 51 CO 1.09 1.12 0.60 -0.25 -2.81 0.00 0.00 179.45 179.21 2cug n ASP 52 N -4.14 2.54 -4.65 4.20 8.00 -1.26 -4.88 116.55 116.36 2cug n ASP 52 Ca -0.08 1.12 -0.43 0.00 0.71 0.00 0.00 54.79 56.12 2cug n ASP 52 Cb 0.65 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 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 0.10 4.08 0.00 -0.24 0.04 -1.26 -3.24 135.00 134.48 2cug s PRO 53 Ca 0.74 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2cug s PRO 53 Cb -0.72 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 29.87 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 2.79 0.29 0.56 0.00 -1.26 -4.97 105.19 106.77 2cug n GLY 54 Ca 0.17 -0.65 0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 0.80 -0.00 4.61 0.00 -1.20 0.59 120.51 125.31 2cug n ALA 55 Ca 0.00 0.92 -0.10 0.00 0.00 0.00 0.00 53.44 54.27 2cug n ALA 55 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.30 -0.73 0.00 4.81 -1.85 -2.55 114.58 113.96 2cug h GLU 56 Ca 0.70 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 60.03 2cug h GLU 56 Cb 1.77 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 31.12 2cug h GLU 56 CO -0.73 -0.20 -0.38 -3.47 -0.73 0.00 0.00 179.01 173.50 2cug n ASP 57 N -5.37 -0.67 -0.05 1.04 2.03 0.20 0.82 116.55 114.55 2cug n ASP 57 Ca -0.03 1.30 -0.09 0.00 0.52 0.00 0.00 54.79 56.49 2cug n ASP 57 Cb 0.28 -0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 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 0.13 -0.42 -0.67 9.65 -1.54 -2.72 114.38 118.81 2cug h ARG 58 Ca 0.17 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.12 2cug h ARG 58 Cb 0.35 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.82 2cug h ARG 58 CO -0.70 0.08 -0.16 0.35 2.80 0.00 0.00 179.97 182.34 2cug h PHE 59 N 0.13 -0.37 -0.82 2.20 3.04 0.73 -0.92 116.94 120.93 2cug h PHE 59 Ca 0.10 0.04 0.20 0.00 3.98 0.00 0.00 57.97 62.29 2cug h PHE 59 Cb 0.09 0.23 -0.14 0.00 2.56 0.00 0.00 35.95 38.69 2cug h PHE 59 CO -0.14 -0.24 0.13 0.82 -2.02 0.00 0.00 178.31 176.86 2cug h ILE 60 N -0.07 0.33 -0.08 1.41 2.04 -0.55 0.65 117.51 121.23 2cug h ILE 60 Ca 0.20 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 2cug h ILE 60 Cb 0.38 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2cug h ILE 60 CO -0.47 0.03 0.05 1.56 0.00 0.00 0.00 178.15 179.32 2cug h GLN 61 N 0.16 0.12 0.11 2.37 4.20 -1.10 -0.90 115.11 120.07 2cug h GLN 61 Ca 0.49 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.20 2cug h GLN 61 Cb 0.92 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 2cug h GLN 61 CO -0.66 0.16 -0.31 0.82 -0.67 0.00 0.00 178.83 178.18 2cug h ILE 62 N 0.04 0.34 -0.20 2.54 2.04 -0.40 0.36 117.51 122.22 2cug h ILE 62 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2cug h ILE 62 Cb 0.08 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2cug h ILE 62 CO -0.00 0.00 -0.05 -1.28 0.00 0.00 0.00 178.15 176.82 2cug h SER 63 N -0.52 -0.19 -0.95 1.72 0.87 -1.06 -1.86 113.55 111.56 2cug h SER 63 Ca 0.03 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2cug h SER 63 Cb 0.56 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 2cug h SER 63 CO -0.19 -0.07 0.62 0.11 -0.53 0.00 0.00 176.83 176.78 2cug h LYS 64 N 0.00 1.20 0.32 2.24 1.57 -0.83 0.56 116.57 121.63 2cug h LYS 64 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2cug h LYS 64 Cb 0.15 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2cug h LYS 64 CO -0.21 0.79 -0.31 0.00 -0.57 0.00 0.00 179.45 179.15 2cug h ALA 65 N 1.37 -0.67 -0.57 3.86 0.00 0.43 -2.86 119.26 120.83 2cug h ALA 65 Ca 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2cug h ALA 65 Cb -0.05 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2cug h ALA 65 CO -0.10 -0.91 0.21 -0.92 0.00 0.00 0.00 179.25 177.52 2cug h TYR 66 N -0.66 0.89 -1.00 0.00 3.20 -1.15 -2.90 116.97 115.36 2cug h TYR 66 Ca -0.02 -0.08 0.34 0.00 3.14 0.00 0.00 58.73 62.12 2cug h TYR 66 Cb 0.60 -0.26 -0.18 0.00 1.54 0.00 0.00 36.73 38.42 2cug h TYR 66 CO -0.18 0.73 0.27 0.93 -1.64 0.00 0.00 178.16 178.26 2cug h GLU 67 N 0.79 0.00 0.48 1.82 4.39 -0.66 0.77 114.58 122.18 2cug h GLU 67 Ca 0.19 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2cug h GLU 67 Cb 0.24 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2cug h GLU 67 CO -0.01 0.00 -0.23 0.82 -1.16 0.00 0.00 179.01 178.43 2cug h ILE 68 N 0.00 0.52 0.56 3.13 2.04 -1.39 -2.39 117.51 119.98 2cug h ILE 68 Ca 0.72 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 66.45 2cug h ILE 68 Cb 1.72 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2cug h ILE 68 CO -0.86 0.02 -0.27 -0.07 0.00 0.00 0.00 178.15 176.97 2cug h LEU 69 N -0.71 -0.64 -0.79 1.44 3.38 -0.57 -1.18 115.31 116.23 2cug h LEU 69 Ca -0.07 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.10 2cug h LEU 69 Cb 0.53 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 2cug h LEU 69 CO 0.11 -0.31 -0.13 -0.24 0.09 0.00 0.00 178.44 177.97 2cug n SER 70 N -4.85 -0.22 -4.77 -0.43 2.88 0.23 -4.31 113.62 102.15 2cug n SER 70 Ca -0.09 1.35 -0.37 0.00 -1.33 0.00 0.00 58.87 58.43 2cug n SER 70 Cb 0.30 -0.44 -0.01 0.00 -0.75 0.00 0.00 64.21 63.31 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 -5.14 6.18 0.04 -3.46 3.84 -0.90 -4.96 114.94 110.54 2cug s ASN 71 Ca -0.11 2.35 -0.11 0.00 0.21 0.00 0.00 52.86 55.20 2cug s ASN 71 Cb 0.22 -2.61 -0.33 0.00 -0.55 0.00 0.00 41.25 37.98 2cug s ASN 71 CO 0.62 -0.91 1.01 1.05 -2.79 0.00 0.00 177.10 176.07 2cug h GLU 72 N 2.13 0.44 0.36 0.43 4.11 -1.84 -3.06 114.58 117.15 2cug h GLU 72 Ca -0.49 -0.75 -0.02 0.00 0.07 0.00 0.00 59.36 58.17 2cug h GLU 72 Cb 1.25 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2cug h GLU 72 CO 0.60 1.35 -0.17 0.93 0.07 0.00 0.00 179.01 181.79 2cug h GLU 73 N 0.12 -0.47 -0.45 1.06 5.08 -1.92 -1.58 114.58 116.42 2cug h GLU 73 Ca -0.23 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2cug h GLU 73 Cb 2.10 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 31.36 2cug h GLU 73 CO 0.24 -0.31 -0.34 0.87 -1.00 0.00 0.00 179.01 178.47 2cug h LYS 74 N -0.67 -0.23 0.06 2.33 1.57 -1.77 -1.93 116.57 115.93 2cug h LYS 74 Ca -0.05 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2cug h LYS 74 Cb 0.37 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2cug h LYS 74 CO 0.08 -0.15 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.28 2cug h ARG 75 N -0.24 -0.61 -0.43 3.15 2.43 -1.10 -2.52 114.38 115.06 2cug h ARG 75 Ca 0.18 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2cug h ARG 75 Cb 0.55 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 2cug h ARG 75 CO -0.58 -0.41 -0.34 1.15 -1.51 0.00 0.00 179.97 178.29 2cug h THR 76 N -0.63 0.00 -0.92 0.20 2.02 -0.56 0.82 112.91 113.84 2cug h THR 76 Ca 0.03 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.43 2cug h THR 76 Cb 0.68 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.92 2cug h THR 76 CO -0.29 0.00 -0.05 0.78 0.37 0.00 0.00 175.52 176.34 2cug h ASN 77 N -0.11 -0.55 0.05 4.18 2.35 -1.19 0.12 115.58 120.43 2cug h ASN 77 Ca 0.07 0.26 0.02 0.00 -0.55 0.00 0.00 56.30 56.10 2cug h ASN 77 Cb 0.29 0.48 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 2cug h ASN 77 CO -0.46 -0.30 -0.54 0.22 -1.65 0.00 0.00 177.43 174.71 2cug h TYR 78 N 0.03 -1.56 -0.15 1.19 5.03 -0.41 0.12 116.97 121.22 2cug h TYR 78 Ca 0.52 0.05 0.02 0.00 2.58 0.00 0.00 58.73 61.89 2cug h TYR 78 Cb 0.96 0.68 -0.02 0.00 1.55 0.00 0.00 36.73 39.90 2cug h TYR 78 CO -0.54 -0.59 0.01 0.22 -1.32 0.00 0.00 178.16 175.94 2cug h ASP 79 N -0.71 -0.03 -0.88 -2.11 1.82 -0.52 -1.78 116.42 112.22 2cug h ASP 79 Ca 0.01 0.03 0.20 0.00 -0.39 0.00 0.00 57.03 56.88 2cug h ASP 79 Cb 0.74 0.05 -0.06 0.00 0.68 0.00 0.00 39.33 40.73 2cug h ASP 79 CO -0.33 0.01 0.59 0.45 -1.61 0.00 0.00 179.24 178.34 2cug h HIS 80 N 0.07 0.47 0.00 0.28 3.86 -0.42 0.59 115.15 119.99 2cug h HIS 80 Ca 0.07 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2cug h HIS 80 Cb 0.07 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2cug h HIS 80 CO -0.14 0.13 -0.09 -0.92 0.86 0.00 0.00 177.93 177.77 2cug h TYR 81 N 0.35 0.00 0.00 2.45 5.03 0.14 -3.46 116.97 121.48 2cug h TYR 81 Ca 0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.76 2cug h TYR 81 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.48 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 -0.17 2.89 3.95 1.82 0.00 0.20 -4.64 105.19 109.25 2cug n GLY 82 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2cug n GLY 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cug n SER 83 N 0.00 -4.67 -3.60 1.61 3.41 -1.20 -4.95 113.62 104.22 2cug n SER 83 Ca 0.00 -0.81 -0.12 0.00 -0.26 0.00 0.00 58.87 57.68 2cug n SER 83 Cb 0.00 -3.76 -0.05 0.00 -0.26 0.00 0.00 64.21 60.14 2cug n SER 83 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cug s GLY 84 N -3.31 -0.35 -0.02 5.00 0.00 -1.26 -5.02 107.32 102.36 2cug s GLY 84 Ca 0.68 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 45.40 2cug s GLY 84 CO 0.84 -0.01 1.26 -0.56 0.00 0.00 0.00 173.10 174.62 2cug h PRO 85 N 2.59 -0.02 -5.47 2.90 0.13 -1.93 -3.48 132.00 126.72 2cug h PRO 85 Ca -0.32 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.46 2cug h PRO 85 Cb 1.24 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.51 2cug h PRO 85 CO 0.44 0.47 -0.66 0.43 -0.23 0.00 0.00 178.00 178.44 2cug n SER 86 N -4.87 -4.74 -4.90 1.44 7.64 -1.26 -5.00 113.62 101.93 2cug n SER 86 Ca -0.08 -0.53 -0.33 0.00 1.01 0.00 0.00 58.87 58.94 2cug n SER 86 Cb 0.25 -4.75 -0.05 0.00 -1.01 0.00 0.00 64.21 58.65 2cug n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cug s SER 87 N -3.62 6.38 0.00 6.43 0.15 -1.26 -5.30 113.70 116.48 2cug s SER 87 Ca 0.37 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2cug s SER 87 Cb -0.16 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2cug s SER 87 CO 0.68 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.98