#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 2.59 0.25 1.61 0.15 -1.26 -5.14 113.70 111.90 2cug s SER 2 Ca 0.00 -0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.33 2cug s SER 2 Cb 0.00 -0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 63.57 2cug s SER 2 CO 0.00 0.20 -0.20 -0.55 1.20 0.00 0.00 173.24 173.89 2cug s SER 3 N -0.08 3.37 0.00 5.45 0.15 -1.26 -4.83 113.70 116.51 2cug s SER 3 Ca -0.03 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.62 2cug s SER 3 Cb -0.12 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2cug s SER 3 CO 0.03 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2cug n GLY 4 N -0.40 0.67 0.09 9.45 0.00 -1.26 -5.02 105.19 108.72 2cug n GLY 4 Ca -0.07 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2cug n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cug h SER 5 N 0.00 -0.09 0.52 1.61 0.87 -2.06 -3.39 113.55 111.00 2cug h SER 5 Ca 0.00 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 2cug h SER 5 Cb 0.87 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2cug h SER 5 CO 0.00 0.53 -0.25 0.28 -0.53 0.00 0.00 176.83 176.86 2cug h SER 6 N -0.99 -0.59 -4.33 6.23 0.02 -2.01 -3.49 113.55 108.39 2cug h SER 6 Ca -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2cug h SER 6 Cb 0.38 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2cug h SER 6 CO 0.02 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 175.92 2cug n GLY 7 N -1.09 -0.92 3.28 -3.77 0.00 -1.26 -4.98 105.19 96.44 2cug n GLY 7 Ca -0.09 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 2cug n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cug s ILE 8 N -2.32 2.34 0.14 -0.61 -1.09 -1.26 -5.03 121.20 113.38 2cug s ILE 8 Ca 0.00 -0.93 -0.26 0.00 -2.23 0.00 0.00 60.65 57.24 2cug s ILE 8 Cb 0.00 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.96 2cug s ILE 8 CO 0.00 0.55 1.60 -0.07 -1.23 0.00 0.00 174.94 175.80 2cug h LEU 9 N 6.55 -1.06 -1.32 2.97 -0.00 -2.06 -3.46 115.31 116.93 2cug h LEU 9 Ca -0.24 0.16 -0.44 0.00 -0.00 0.00 0.00 57.88 57.36 2cug h LEU 9 Cb 1.22 0.46 0.03 0.00 -0.00 0.00 0.00 40.66 42.36 2cug h LEU 9 CO 0.49 -0.36 -0.78 1.67 -0.00 0.00 0.00 178.44 179.46 2cug n GLN 10 N -5.41 -5.56 -2.76 1.13 7.27 -1.26 -4.90 117.38 105.89 2cug n GLN 10 Ca -0.02 0.64 -0.43 0.00 0.07 0.00 0.00 57.00 57.26 2cug n GLN 10 Cb 0.33 -5.41 -0.04 0.00 2.41 0.00 0.00 30.24 27.53 2cug n GLN 10 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2cug s SER 11 N -3.79 6.34 0.38 1.69 1.04 -1.26 -4.99 113.70 113.10 2cug s SER 11 Ca 0.36 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.52 2cug s SER 11 Cb -0.18 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 2cug s SER 11 CO 0.81 -1.34 0.16 -0.76 0.98 0.00 0.00 173.24 173.09 2cug s LEU 12 N 4.31 1.90 0.47 2.42 1.02 -1.26 -5.16 118.68 122.38 2cug s LEU 12 Ca 0.33 -1.67 -0.08 0.00 0.02 0.00 0.00 54.13 52.72 2cug s LEU 12 Cb -0.11 0.07 -0.05 0.00 0.02 0.00 0.00 46.19 46.12 2cug s LEU 12 CO 0.20 -0.95 0.82 -0.55 0.02 0.00 0.00 176.35 175.88 2cug s SER 13 N -3.53 6.36 0.19 2.29 0.15 -1.26 -5.09 113.70 112.81 2cug s SER 13 Ca 0.29 1.08 -0.23 0.00 0.70 0.00 0.00 55.95 57.78 2cug s SER 13 Cb 0.03 -2.31 0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2cug s SER 13 CO 0.18 -0.55 0.81 0.00 1.20 0.00 0.00 173.24 174.87 2cug s ALA 14 N -2.67 -1.48 0.86 5.45 0.00 -1.26 -4.85 121.76 117.81 2cug s ALA 14 Ca 0.50 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 2cug s ALA 14 Cb -0.10 0.74 0.17 0.00 0.00 0.00 0.00 23.12 23.93 2cug s ALA 14 CO 0.41 -0.98 1.18 -0.48 0.00 0.00 0.00 175.76 175.90 2cug s LEU 15 N -2.87 2.83 0.17 0.00 2.34 -1.26 -4.98 118.68 114.91 2cug s LEU 15 Ca 0.10 -0.02 -0.26 0.00 0.06 0.00 0.00 54.13 54.01 2cug s LEU 15 Cb -0.03 -2.15 0.02 0.00 -0.56 0.00 0.00 46.19 43.47 2cug s LEU 15 CO 0.01 -2.36 1.56 0.44 -1.06 0.00 0.00 176.35 174.95 2cug h ASP 16 N -1.16 -1.55 -4.16 1.48 3.32 -2.04 -3.41 116.42 108.90 2cug h ASP 16 Ca -0.41 0.25 -0.27 0.00 0.02 0.00 0.00 57.03 56.62 2cug h ASP 16 Cb 1.25 0.70 -0.26 0.00 0.22 0.00 0.00 39.33 41.24 2cug h ASP 16 CO 0.39 -0.34 -0.73 0.72 -1.72 0.00 0.00 179.24 177.56 2cug s PHE 17 N -5.81 0.36 -0.02 4.55 -0.12 -1.26 -5.15 117.98 110.52 2cug s PHE 17 Ca -0.14 -0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 56.48 2cug s PHE 17 Cb 0.13 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 2cug s PHE 17 CO 0.66 -0.04 0.22 -0.51 -0.05 0.00 0.00 175.22 175.49 2cug s ASP 18 N -0.54 6.44 0.03 1.98 1.11 -1.26 -5.03 116.67 119.40 2cug s ASP 18 Ca -0.03 0.48 -0.21 0.00 0.18 0.00 0.00 52.55 52.97 2cug s ASP 18 Cb -0.04 -2.06 -0.15 0.00 1.07 0.00 0.00 42.92 41.73 2cug s ASP 18 CO -0.00 0.29 1.33 1.55 1.18 0.00 0.00 175.17 179.52 2cug h PRO 19 N 4.14 0.30 -0.57 8.23 0.13 -1.97 -1.70 132.00 140.56 2cug h PRO 19 Ca -0.51 -0.16 0.01 0.00 -0.87 0.00 0.00 66.00 64.48 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 0.70 0.38 1.88 -0.23 0.00 0.00 178.00 181.38 2cug h TYR 20 N -0.10 0.71 -0.29 1.56 -1.99 -1.90 -1.42 116.97 113.55 2cug h TYR 20 Ca 0.02 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 2cug h TYR 20 Cb 0.65 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2cug h TYR 20 CO 0.09 0.44 0.02 0.00 -0.00 0.00 0.00 178.16 178.70 2cug h ARG 21 N 0.77 0.51 -0.09 4.88 3.08 -1.77 0.31 114.38 122.07 2cug h ARG 21 Ca 0.21 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2cug h ARG 21 Cb -0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2cug h ARG 21 CO -0.05 0.64 -0.13 0.28 -1.07 0.00 0.00 179.97 179.64 2cug h VAL 22 N 0.31 0.66 0.00 2.04 2.07 -1.03 -2.13 116.25 118.16 2cug h VAL 22 Ca 0.09 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 2cug h VAL 22 Cb 0.40 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2cug h VAL 22 CO 0.01 0.00 -0.56 -0.07 0.02 0.00 0.00 177.57 176.97 2cug h LEU 23 N -0.17 0.00 -0.58 2.57 3.38 -1.24 -3.48 115.31 115.78 2cug h LEU 23 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2cug h LEU 23 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2cug h LEU 23 CO -0.19 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.51 2cug n GLY 24 N 0.15 0.93 3.43 0.83 0.00 0.83 -4.87 105.19 106.49 2cug n GLY 24 Ca -0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.48 1.96 0.49 1.61 -7.23 0.27 -5.01 120.40 110.01 2cug s VAL 25 Ca 0.00 -2.23 0.06 0.00 -1.81 0.00 0.00 61.98 58.00 2cug s VAL 25 Cb 0.00 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2cug s VAL 25 CO 0.00 -0.39 0.30 -0.44 -0.31 0.00 0.00 175.10 174.26 2cug s SER 26 N -3.45 4.58 0.24 4.85 0.01 -1.26 -4.43 113.70 114.24 2cug s SER 26 Ca 0.28 -1.18 -0.05 0.00 1.31 0.00 0.00 55.95 56.31 2cug s SER 26 Cb 0.00 0.06 0.45 0.00 0.21 0.00 0.00 66.02 66.74 2cug s SER 26 CO 0.12 -0.87 1.71 0.08 0.41 0.00 0.00 173.24 174.69 2cug h ARG 27 N 1.03 0.35 -0.65 12.44 0.11 -2.02 0.26 114.38 125.91 2cug h ARG 27 Ca -0.40 -0.02 0.19 0.00 0.10 0.00 0.00 59.98 59.85 2cug h ARG 27 Cb 1.29 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.26 2cug h ARG 27 CO 0.62 0.23 0.50 0.00 0.10 0.00 0.00 179.97 181.43 2cug h THR 28 N 0.36 0.58 -2.89 0.08 1.03 -2.06 -3.41 112.91 106.61 2cug h THR 28 Ca 0.41 0.00 -0.53 0.00 -0.01 0.00 0.00 66.41 66.28 2cug h THR 28 Cb 0.64 0.64 0.04 0.00 -1.07 0.00 0.00 68.15 68.41 2cug h THR 28 CO -0.44 0.00 0.84 0.00 -0.01 0.00 0.00 175.52 175.91 2cug s ALA 29 N -4.91 3.73 0.44 0.00 0.00 0.92 -5.01 121.76 116.93 2cug s ALA 29 Ca -0.05 1.31 0.06 0.00 0.00 0.00 0.00 51.96 53.28 2cug s ALA 29 Cb 0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2cug s ALA 29 CO 0.71 -0.74 0.15 -1.12 0.00 0.00 0.00 175.76 174.75 2cug s SER 30 N 1.10 4.30 0.42 0.00 0.01 -1.26 -4.84 113.70 113.42 2cug s SER 30 Ca 0.68 -1.24 0.36 0.00 1.31 0.00 0.00 55.95 57.06 2cug s SER 30 Cb -0.42 -0.21 1.36 0.00 0.21 0.00 0.00 66.02 66.96 2cug s SER 30 CO 0.32 -0.64 1.30 0.00 0.41 0.00 0.00 173.24 174.63 2cug n GLN 31 N -1.25 -0.01 0.13 12.44 1.13 -1.26 -0.27 117.38 128.29 2cug n GLN 31 Ca -0.05 0.96 -0.06 0.00 -1.94 0.00 0.00 57.00 55.92 2cug n GLN 31 Cb 0.65 -2.07 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 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 1.04 -0.68 -0.98 -1.58 0.00 -1.99 -1.45 119.26 113.62 2cug h ALA 32 Ca 0.76 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.68 2cug h ALA 32 Cb 2.82 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 20.68 2cug h ALA 32 CO -0.17 -0.65 0.62 0.22 0.00 0.00 0.00 179.25 179.26 2cug h ASP 33 N -0.55 0.96 0.95 0.00 3.58 -1.00 -1.22 116.42 119.14 2cug h ASP 33 Ca -0.04 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2cug h ASP 33 Cb 0.28 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2cug h ASP 33 CO 0.06 0.58 -0.49 0.40 -2.88 0.00 0.00 179.24 176.91 2cug h ILE 34 N 1.07 0.00 -0.61 2.25 2.04 -0.76 0.46 117.51 121.97 2cug h ILE 34 Ca 0.44 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.42 2cug h ILE 34 Cb 0.28 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.28 2cug h ILE 34 CO -0.21 0.00 0.15 0.50 0.00 0.00 0.00 178.15 178.60 2cug h LYS 35 N -1.32 0.28 0.00 2.37 3.64 -1.03 0.27 116.57 120.79 2cug h LYS 35 Ca -0.13 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 2cug h LYS 35 Cb 1.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2cug h LYS 35 CO 0.19 0.19 -0.35 -0.22 -2.27 0.00 0.00 179.45 176.99 2cug h LYS 36 N 0.29 0.00 -0.11 1.90 3.64 -1.10 -2.75 116.57 118.44 2cug h LYS 36 Ca 0.32 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.51 2cug h LYS 36 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2cug h LYS 36 CO -0.39 0.35 -0.66 0.00 -2.27 0.00 0.00 179.45 176.49 2cug h ALA 37 N 1.65 0.23 0.88 5.00 0.00 0.25 -3.27 119.26 123.99 2cug h ALA 37 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2cug h ALA 37 Cb 0.63 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2cug h ALA 37 CO 0.05 0.52 -0.45 -0.92 0.00 0.00 0.00 179.25 178.45 2cug h TYR 38 N 0.30 -1.17 -0.83 0.00 3.20 -0.43 -2.90 116.97 115.14 2cug h TYR 38 Ca -0.05 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.89 2cug h TYR 38 Cb 1.30 0.39 -0.11 0.00 1.54 0.00 0.00 36.73 39.85 2cug h TYR 38 CO 0.10 -0.71 -0.45 1.63 -1.64 0.00 0.00 178.16 177.10 2cug n LYS 39 N -5.33 -0.32 -0.16 1.82 4.01 -1.05 0.07 118.16 117.20 2cug n LYS 39 Ca -0.15 1.26 -0.08 0.00 -0.51 0.00 0.00 58.31 58.84 2cug n LYS 39 Cb 0.48 -1.86 -0.02 0.00 -0.51 0.00 0.00 35.03 33.12 2cug n LYS 39 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2cug h LYS 40 N 0.00 -0.23 -0.45 1.97 3.64 -1.59 0.45 116.57 120.35 2cug h LYS 40 Ca 0.18 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2cug h LYS 40 Cb 0.38 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 2cug h LYS 40 CO -0.79 -0.16 0.22 -0.07 -2.27 0.00 0.00 179.45 176.38 2cug h LEU 41 N -0.24 0.32 -1.33 5.20 3.38 -0.16 0.82 115.31 123.30 2cug h LEU 41 Ca 0.18 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2cug h LEU 41 Cb 0.56 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2cug h LEU 41 CO -0.61 0.23 0.38 0.00 0.09 0.00 0.00 178.44 178.52 2cug h ALA 42 N 1.24 1.50 -0.17 1.53 0.00 0.95 0.30 119.26 124.61 2cug h ALA 42 Ca 0.20 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2cug h ALA 42 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2cug h ALA 42 CO -0.14 0.44 -0.46 0.00 0.00 0.00 0.00 179.25 179.09 2cug h ARG 43 N 0.85 0.62 0.39 0.00 3.08 0.67 0.31 114.38 120.30 2cug h ARG 43 Ca 0.22 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2cug h ARG 43 Cb -0.04 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2cug h ARG 43 CO -0.04 1.05 -0.19 0.93 -1.07 0.00 0.00 179.97 180.65 2cug h GLU 44 N 0.29 -0.50 -0.64 0.04 5.08 -0.48 -3.13 114.58 115.23 2cug h GLU 44 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2cug h GLU 44 Cb 1.08 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2cug h GLU 44 CO 0.10 -0.21 0.00 0.91 -1.00 0.00 0.00 179.01 178.81 2cug n TRP 45 N -5.14 0.26 -1.67 4.33 7.02 0.10 -4.86 117.44 117.48 2cug n TRP 45 Ca -0.09 -0.10 -0.48 0.00 -1.02 0.00 0.00 57.50 55.82 2cug n TRP 45 Cb 0.27 -0.10 -0.05 0.00 -2.42 0.00 0.00 31.31 29.01 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 0.00 2.24 0.19 -5.99 -0.00 0.10 -4.47 115.22 107.28 2cug n HIS 46 Ca 0.04 0.20 0.04 0.00 0.46 0.00 0.00 57.72 58.46 2cug n HIS 46 Cb 0.29 -2.57 0.36 0.00 -0.12 0.00 0.00 29.99 27.94 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 7.03 0.00 -0.29 1.57 0.13 -1.86 0.31 132.00 138.90 2cug h PRO 47 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2cug h PRO 47 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2cug h PRO 47 CO 0.90 0.39 -0.14 0.22 -0.23 0.00 0.00 178.00 179.15 2cug h ASP 48 N 0.00 0.48 0.32 1.44 3.58 -1.95 -3.10 116.42 117.20 2cug h ASP 48 Ca -0.00 -0.13 -0.32 0.00 0.42 0.00 0.00 57.03 57.00 2cug h ASP 48 Cb 0.79 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 2cug h ASP 48 CO 0.05 0.65 -1.95 1.17 -2.88 0.00 0.00 179.24 176.28 2cug n LYS 49 N -4.20 0.65 -2.61 0.28 4.81 -1.12 -4.82 118.16 111.15 2cug n LYS 49 Ca 0.00 0.19 -0.43 0.00 -0.87 0.00 0.00 58.31 57.20 2cug n LYS 49 Cb 0.33 -1.70 -0.02 0.00 0.02 0.00 0.00 35.03 33.66 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 -5.88 6.65 0.13 3.14 0.01 0.08 -4.87 114.94 114.21 2cug s ASN 50 Ca -0.07 0.50 0.18 0.00 -0.71 0.00 0.00 52.86 52.76 2cug s ASN 50 Cb 0.07 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 2cug s ASN 50 CO 0.83 -1.23 0.98 0.11 -1.51 0.00 0.00 177.10 176.28 2cug h LYS 51 N 9.15 0.00 -6.92 -0.60 6.56 -1.88 -3.44 116.57 119.43 2cug h LYS 51 Ca -0.23 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.83 2cug h LYS 51 Cb 1.06 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 32.80 2cug h LYS 51 CO 1.12 0.24 0.66 -0.51 -2.06 0.00 0.00 179.45 178.90 2cug s ASP 52 N -5.79 6.47 -0.14 0.86 1.01 -1.26 -4.93 116.67 112.88 2cug s ASP 52 Ca -0.01 2.76 -0.29 0.00 0.71 0.00 0.00 52.55 55.71 2cug s ASP 52 Cb 0.09 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2cug s ASP 52 CO 0.79 -0.75 1.56 -2.16 0.21 0.00 0.00 175.17 174.82 2cug s PRO 53 N -2.06 4.04 0.00 8.23 0.04 -1.26 -3.40 135.00 140.60 2cug s PRO 53 Ca 0.53 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2cug s PRO 53 Cb -0.41 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2cug s PRO 53 CO 0.54 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2cug n GLY 54 N 4.23 3.81 0.28 0.56 0.00 -1.26 -4.96 105.19 107.85 2cug n GLY 54 Ca 0.17 -0.88 0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 0.14 4.61 0.00 -1.22 0.60 120.51 125.44 2cug n ALA 55 Ca 0.00 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 2cug n ALA 55 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.51 -0.79 0.00 4.81 -1.84 -1.69 114.58 114.56 2cug h GLU 56 Ca 0.69 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 60.03 2cug h GLU 56 Cb 1.77 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 31.16 2cug h GLU 56 CO -0.69 -0.34 -0.51 0.22 -0.73 0.00 0.00 179.01 176.95 2cug h ASP 57 N -0.53 -1.84 -0.47 1.04 1.82 -0.25 0.16 116.42 116.34 2cug h ASP 57 Ca 0.02 0.28 0.08 0.00 -0.39 0.00 0.00 57.03 57.01 2cug h ASP 57 Cb 0.54 0.81 -0.07 0.00 0.68 0.00 0.00 39.33 41.29 2cug h ASP 57 CO -0.13 -0.22 0.08 -0.09 -1.61 0.00 0.00 179.24 177.27 2cug h ARG 58 N -0.05 0.21 -0.84 0.28 9.65 -1.49 -1.36 114.38 120.77 2cug h ARG 58 Ca 0.13 -0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.16 2cug h ARG 58 Cb 0.38 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.81 2cug h ARG 58 CO -0.77 0.14 0.39 0.35 2.80 0.00 0.00 179.97 182.87 2cug h PHE 59 N 0.21 0.67 -0.99 2.20 3.57 0.18 0.70 116.94 123.48 2cug h PHE 59 Ca 0.23 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.84 2cug h PHE 59 Cb 0.31 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 2cug h PHE 59 CO -0.23 0.09 0.64 0.82 -2.23 0.00 0.00 178.31 177.39 2cug h ILE 60 N 0.51 1.06 -0.39 1.41 2.04 0.16 -1.62 117.51 120.68 2cug h ILE 60 Ca 0.48 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2cug h ILE 60 Cb 0.76 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2cug h ILE 60 CO -0.42 0.21 0.10 1.56 0.00 0.00 0.00 178.15 179.60 2cug h GLN 61 N 1.13 0.62 -0.32 2.37 4.20 -0.71 0.30 115.11 122.69 2cug h GLN 61 Ca 0.44 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 59.02 2cug h GLN 61 Cb 0.21 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2cug h GLN 61 CO -0.19 0.65 0.17 0.82 -0.67 0.00 0.00 178.83 179.61 2cug h ILE 62 N 0.48 1.01 -0.26 2.54 2.04 -0.79 0.34 117.51 122.87 2cug h ILE 62 Ca 0.12 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2cug h ILE 62 Cb 0.30 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2cug h ILE 62 CO 0.00 0.07 -0.02 -1.28 0.00 0.00 0.00 178.15 176.91 2cug h SER 63 N 0.36 0.47 -0.17 1.72 0.87 -1.22 -1.71 113.55 113.87 2cug h SER 63 Ca 0.13 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 2cug h SER 63 Cb 0.03 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2cug h SER 63 CO -0.08 0.69 -0.02 0.11 -0.53 0.00 0.00 176.83 177.00 2cug h LYS 64 N 0.24 0.45 0.32 2.24 1.79 -0.71 0.66 116.57 121.55 2cug h LYS 64 Ca 0.07 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2cug h LYS 64 Cb 0.46 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2cug h LYS 64 CO 0.02 0.49 -0.15 0.00 -1.08 0.00 0.00 179.45 178.73 2cug h ALA 65 N 1.56 -0.42 -0.60 3.86 0.00 -0.15 -3.26 119.26 120.24 2cug h ALA 65 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2cug h ALA 65 Cb 0.32 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2cug h ALA 65 CO 0.01 -0.52 0.32 -0.92 0.00 0.00 0.00 179.25 178.13 2cug h TYR 66 N -0.85 0.84 -0.99 0.00 3.20 -1.24 -2.88 116.97 115.04 2cug h TYR 66 Ca -0.04 -0.03 0.26 0.00 3.14 0.00 0.00 58.73 62.06 2cug h TYR 66 Cb 0.52 -0.27 -0.19 0.00 1.54 0.00 0.00 36.73 38.34 2cug h TYR 66 CO 0.03 0.62 -0.03 0.39 -1.64 0.00 0.00 178.16 177.53 2cug n GLU 67 N -4.55 -0.08 0.31 1.82 -0.58 0.22 0.94 120.64 118.71 2cug n GLU 67 Ca 0.04 1.49 -0.17 0.00 -0.42 0.00 0.00 57.16 58.10 2cug n GLU 67 Cb 0.10 -2.34 -0.09 0.00 -0.57 0.00 0.00 31.44 28.54 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 0.22 0.49 -3.67 2.04 -1.55 -2.04 117.51 113.00 2cug h ILE 68 Ca 0.57 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.41 2cug h ILE 68 Cb 1.13 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2cug h ILE 68 CO -0.95 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 176.90 2cug h LEU 69 N -0.89 -0.56 -0.74 1.44 3.38 -0.80 0.34 115.31 117.48 2cug h LEU 69 Ca -0.06 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.20 2cug h LEU 69 Cb 0.75 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 2cug h LEU 69 CO 0.03 -0.31 0.26 -0.24 0.09 0.00 0.00 178.44 178.27 2cug n SER 70 N -4.31 0.13 -4.72 -0.43 2.88 0.27 -4.09 113.62 103.35 2cug n SER 70 Ca -0.08 1.24 -0.42 0.00 -1.33 0.00 0.00 58.87 58.28 2cug n SER 70 Cb 0.26 -0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 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 -4.78 7.39 0.07 -3.46 -0.87 -0.77 -4.98 114.94 107.54 2cug s ASN 71 Ca -0.08 1.74 -0.37 0.00 -1.57 0.00 0.00 52.86 52.58 2cug s ASN 71 Cb 0.24 -2.58 -0.20 0.00 -0.02 0.00 0.00 41.25 38.69 2cug s ASN 71 CO 0.58 -0.21 1.58 -0.33 -2.57 0.00 0.00 177.10 176.15 2cug h GLU 72 N 6.36 -1.19 0.03 -0.60 5.08 -1.83 0.76 114.58 123.19 2cug h GLU 72 Ca -0.42 0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2cug h GLU 72 Cb 1.22 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2cug h GLU 72 CO 0.74 -0.79 -0.23 1.49 -1.00 0.00 0.00 179.01 179.22 2cug h GLU 73 N -1.23 -0.30 -0.46 2.33 4.81 -1.92 -1.72 114.58 116.10 2cug h GLU 73 Ca -0.12 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2cug h GLU 73 Cb 0.95 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.31 2cug h GLU 73 CO 0.18 -0.20 -0.34 0.87 -0.73 0.00 0.00 179.01 178.79 2cug h LYS 74 N -0.31 -0.23 -0.83 1.92 6.56 -1.74 0.19 116.57 122.13 2cug h LYS 74 Ca 0.00 0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.74 2cug h LYS 74 Cb 0.32 0.05 -0.14 0.00 -0.57 0.00 0.00 32.23 31.90 2cug h LYS 74 CO -0.14 -0.15 -0.37 -0.09 -2.06 0.00 0.00 179.45 176.64 2cug h ARG 75 N -0.23 -0.07 -0.04 3.15 2.43 0.22 0.16 114.38 119.99 2cug h ARG 75 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2cug h ARG 75 Cb 0.55 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2cug h ARG 75 CO -0.58 -0.05 0.00 1.15 -1.51 0.00 0.00 179.97 178.98 2cug h THR 76 N -0.07 1.23 -0.75 0.20 2.02 -0.32 -3.11 112.91 112.11 2cug h THR 76 Ca 0.30 -0.71 0.17 0.00 0.77 0.00 0.00 66.41 66.94 2cug h THR 76 Cb 0.58 1.63 -0.12 0.00 -1.74 0.00 0.00 68.15 68.49 2cug h THR 76 CO -0.86 0.19 0.09 -1.13 0.37 0.00 0.00 175.52 174.18 2cug h ASN 77 N -0.21 -0.18 -0.45 4.18 -1.24 0.95 -1.43 115.58 117.20 2cug h ASN 77 Ca 0.01 0.18 0.06 0.00 0.71 0.00 0.00 56.30 57.26 2cug h ASN 77 Cb 0.30 0.28 -0.09 0.00 0.73 0.00 0.00 38.32 39.54 2cug h ASN 77 CO 0.00 -0.13 -0.49 0.22 -1.29 0.00 0.00 177.43 175.74 2cug h TYR 78 N 0.17 -1.48 -0.13 0.67 3.20 -0.69 0.43 116.97 119.13 2cug h TYR 78 Ca 0.42 0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.42 2cug h TYR 78 Cb 0.75 0.71 -0.05 0.00 1.54 0.00 0.00 36.73 39.68 2cug h TYR 78 CO -0.34 -0.46 -0.22 0.22 -1.64 0.00 0.00 178.16 175.72 2cug h ASP 79 N -0.34 -0.67 -0.53 -2.11 3.58 -1.34 -0.41 116.42 114.61 2cug h ASP 79 Ca 0.12 0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.77 2cug h ASP 79 Cb 0.58 0.30 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 2cug h ASP 79 CO -0.62 -0.27 0.36 0.45 -2.88 0.00 0.00 179.24 176.29 2cug h HIS 80 N -0.27 0.34 0.00 0.28 3.86 -0.80 0.20 115.15 118.76 2cug h HIS 80 Ca 0.10 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2cug h HIS 80 Cb 0.42 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2cug h HIS 80 CO -0.32 0.17 0.00 -0.92 0.86 0.00 0.00 177.93 177.71 2cug h TYR 81 N 0.32 0.00 0.00 2.45 5.03 0.14 -3.46 116.97 121.46 2cug h TYR 81 Ca 0.24 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.55 2cug h TYR 81 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2cug h TYR 81 CO -0.00 0.00 0.00 0.41 -1.32 0.00 0.00 178.16 177.25 2cug n GLY 82 N 0.31 1.01 0.27 1.82 0.00 0.70 -5.01 105.19 104.30 2cug n GLY 82 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.38 0.00 1.61 2.88 -0.74 -4.69 113.62 112.31 2cug n SER 83 Ca 0.00 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2cug n SER 83 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 -1.40 3.41 3.56 0.46 0.00 -1.26 -4.83 105.19 105.12 2cug n GLY 84 Ca 0.09 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 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 2.29 2.55 0.01 1.61 0.04 -1.26 -4.91 135.00 135.33 2cug s PRO 85 Ca 0.00 -0.42 0.07 0.00 0.04 0.00 0.00 61.00 60.69 2cug s PRO 85 Cb 0.00 -5.09 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 2cug s PRO 85 CO 0.00 -3.46 -0.22 0.45 0.04 0.00 0.00 177.00 173.81 2cug s SER 86 N 7.80 2.57 -1.29 6.66 0.15 -1.26 -4.73 113.70 123.59 2cug s SER 86 Ca 0.70 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 2cug s SER 86 Cb -0.06 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 2cug s SER 86 CO 0.01 0.23 1.12 -1.20 1.20 0.00 0.00 173.24 174.60 2cug n SER 87 N 2.25 -5.33 0.00 5.45 7.64 -1.26 -5.08 113.62 117.28 2cug n SER 87 Ca -0.16 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2cug n SER 87 Cb 0.53 -4.95 0.00 0.00 -1.01 0.00 0.00 64.21 58.78 2cug n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64