#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 -0.43 0.19 1.61 0.01 -1.26 -5.19 113.70 108.63 2cug s SER 2 Ca 0.00 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 56.84 2cug s SER 2 Cb 0.00 0.59 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2cug s SER 2 CO 0.00 -1.00 0.73 -0.55 0.41 0.00 0.00 173.24 172.83 2cug s SER 3 N -2.80 -0.36 -0.15 2.44 0.15 -1.26 -5.19 113.70 106.54 2cug s SER 3 Ca 0.04 -0.30 -0.31 0.00 0.70 0.00 0.00 55.95 56.08 2cug s SER 3 Cb -0.01 0.61 0.13 0.00 -1.71 0.00 0.00 66.02 65.04 2cug s SER 3 CO -0.09 -1.07 1.05 -0.83 1.20 0.00 0.00 173.24 173.49 2cug s GLY 4 N -2.82 -0.27 -0.25 9.45 0.00 -1.26 -5.15 107.32 107.02 2cug s GLY 4 Ca 0.07 1.85 -0.02 0.00 0.00 0.00 0.00 44.72 46.62 2cug s GLY 4 CO -0.02 0.82 0.36 -0.56 0.00 0.00 0.00 173.10 173.69 2cug s SER 5 N -1.55 0.56 0.04 1.64 0.01 -1.26 -5.04 113.70 108.11 2cug s SER 5 Ca 0.03 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 57.00 2cug s SER 5 Cb -0.01 0.96 -0.17 0.00 0.21 0.00 0.00 66.02 67.01 2cug s SER 5 CO -0.03 -0.32 1.53 -1.28 0.41 0.00 0.00 173.24 173.55 2cug h SER 6 N 8.20 -0.03 -2.73 2.44 0.87 -2.10 -3.49 113.55 116.71 2cug h SER 6 Ca -0.17 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2cug h SER 6 Cb 1.14 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2cug h SER 6 CO 0.28 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 2cug n GLY 7 N -0.55 -1.21 2.95 5.77 0.00 -1.26 -5.09 105.19 105.80 2cug n GLY 7 Ca -0.08 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.76 0.08 0.24 -0.61 1.09 -1.26 -5.17 121.20 113.81 2cug s ILE 8 Ca 0.00 -0.62 0.05 0.00 -1.10 0.00 0.00 60.65 58.98 2cug s ILE 8 Cb 0.00 -0.19 -0.05 0.00 -1.06 0.00 0.00 42.46 41.15 2cug s ILE 8 CO 0.00 -0.34 -0.04 -1.48 -0.10 0.00 0.00 174.94 172.97 2cug s LEU 9 N -1.01 2.36 -0.25 2.97 2.34 -1.26 -5.13 118.68 118.70 2cug s LEU 9 Ca -0.11 -1.18 -0.13 0.00 0.06 0.00 0.00 54.13 52.77 2cug s LEU 9 Cb -0.07 -0.45 -0.04 0.00 -0.56 0.00 0.00 46.19 45.06 2cug s LEU 9 CO -0.01 -0.41 0.27 -1.58 -1.06 0.00 0.00 176.35 173.57 2cug s GLN 10 N -3.78 4.04 -0.18 1.48 0.74 -1.26 -4.97 119.66 115.72 2cug s GLN 10 Ca 0.27 -0.11 -0.15 0.00 0.05 0.00 0.00 55.36 55.42 2cug s GLN 10 Cb 0.04 -3.61 -0.07 0.00 1.10 0.00 0.00 33.01 30.48 2cug s GLN 10 CO 0.09 -0.12 -0.27 -1.13 -0.55 0.00 0.00 175.29 173.30 2cug n SER 11 N 4.85 1.90 -4.75 6.67 3.41 -1.26 -4.95 113.62 119.49 2cug n SER 11 Ca -0.12 0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 58.51 2cug n SER 11 Cb 0.51 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 2cug n SER 11 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2cug s LEU 12 N -7.95 4.63 1.11 1.04 0.20 -1.26 -5.03 118.68 111.42 2cug s LEU 12 Ca -0.26 1.93 -0.17 0.00 0.69 0.00 0.00 54.13 56.31 2cug s LEU 12 Cb 0.05 -3.61 0.13 0.00 -0.43 0.00 0.00 46.19 42.33 2cug s LEU 12 CO 0.39 0.13 0.21 -0.24 -0.29 0.00 0.00 176.35 176.55 2cug n SER 13 N 1.68 -2.22 -3.75 3.68 2.88 -1.26 -5.04 113.62 109.58 2cug n SER 13 Ca -0.01 -0.07 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 2cug n SER 13 Cb 0.47 -1.04 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 2cug n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cug s ALA 14 N -2.28 -1.31 0.85 -1.46 0.00 -1.26 -4.96 121.76 111.33 2cug s ALA 14 Ca 0.58 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2cug s ALA 14 Cb -0.15 0.86 0.14 0.00 0.00 0.00 0.00 23.12 23.97 2cug s ALA 14 CO 0.66 -0.98 1.19 -0.48 0.00 0.00 0.00 175.76 176.15 2cug s LEU 15 N -2.88 2.73 0.17 0.00 2.34 -1.26 -4.97 118.68 114.81 2cug s LEU 15 Ca 0.09 0.32 -0.29 0.00 0.06 0.00 0.00 54.13 54.31 2cug s LEU 15 Cb -0.05 -2.61 -0.02 0.00 -0.56 0.00 0.00 46.19 42.95 2cug s LEU 15 CO 0.02 -2.23 1.55 -0.78 -1.06 0.00 0.00 176.35 173.85 2cug h ASP 16 N -1.17 -1.94 -3.73 1.48 1.82 -2.02 -3.41 116.42 107.45 2cug h ASP 16 Ca -0.44 0.30 -0.16 0.00 -0.39 0.00 0.00 57.03 56.35 2cug h ASP 16 Cb 1.27 0.87 -0.26 0.00 0.68 0.00 0.00 39.33 41.89 2cug h ASP 16 CO 0.48 -0.28 -0.38 0.72 -1.61 0.00 0.00 179.24 178.17 2cug s PHE 17 N -5.63 -0.34 -0.05 0.28 -0.12 -1.26 -5.16 117.98 105.71 2cug s PHE 17 Ca -0.13 0.82 -0.09 0.00 -0.05 0.00 0.00 56.93 57.48 2cug s PHE 17 Cb 0.12 0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2cug s PHE 17 CO 0.64 -0.18 0.26 0.34 -0.05 0.00 0.00 175.22 176.23 2cug s ASP 18 N 0.39 6.55 0.19 1.98 2.15 -1.26 -5.01 116.67 121.67 2cug s ASP 18 Ca -0.02 0.66 -0.05 0.00 0.43 0.00 0.00 52.55 53.56 2cug s ASP 18 Cb -0.04 -2.13 0.10 0.00 -0.30 0.00 0.00 42.92 40.55 2cug s ASP 18 CO -0.02 0.34 1.54 1.55 -0.17 0.00 0.00 175.17 178.41 2cug h PRO 19 N 4.64 0.72 -0.32 4.34 0.13 -1.95 -2.20 132.00 137.35 2cug h PRO 19 Ca -0.53 -0.38 -0.12 0.00 -0.87 0.00 0.00 66.00 64.10 2cug h PRO 19 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2cug h PRO 19 CO 0.61 0.99 -0.28 1.88 -0.23 0.00 0.00 178.00 180.98 2cug h TYR 20 N 0.59 0.91 -0.42 1.56 -1.99 -1.88 -1.76 116.97 113.97 2cug h TYR 20 Ca 0.05 -0.26 -0.05 0.00 2.00 0.00 0.00 58.73 60.47 2cug h TYR 20 Cb 0.95 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.47 2cug h TYR 20 CO 0.05 1.02 0.08 0.00 -0.00 0.00 0.00 178.16 179.31 2cug h ARG 21 N 0.53 0.70 -0.16 4.88 2.47 -1.77 0.38 114.38 121.41 2cug h ARG 21 Ca 0.06 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 2cug h ARG 21 Cb 0.85 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2cug h ARG 21 CO 0.07 0.73 0.06 0.28 0.56 0.00 0.00 179.97 181.67 2cug h VAL 22 N 0.56 1.16 0.00 2.04 2.07 -1.39 -2.79 116.25 117.89 2cug h VAL 22 Ca 0.13 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 2cug h VAL 22 Cb 0.36 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2cug h VAL 22 CO 0.01 0.15 -0.42 -0.07 0.02 0.00 0.00 177.57 177.26 2cug h LEU 23 N 0.10 0.00 -1.19 2.57 3.38 -1.26 -3.48 115.31 115.42 2cug h LEU 23 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2cug h LEU 23 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2cug h LEU 23 CO -0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.55 2cug n GLY 24 N 0.07 0.65 3.21 0.83 0.00 0.11 -4.81 105.19 105.26 2cug n GLY 24 Ca -0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.58 0.86 0.44 1.61 -7.23 0.03 -5.03 120.40 108.50 2cug s VAL 25 Ca 0.00 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 2cug s VAL 25 Cb 0.00 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 2cug s VAL 25 CO 0.00 -0.74 0.33 -0.44 -0.31 0.00 0.00 175.10 173.93 2cug s SER 26 N -3.12 4.78 0.51 4.85 0.01 -1.26 -4.43 113.70 115.04 2cug s SER 26 Ca 0.16 -0.94 0.26 0.00 1.31 0.00 0.00 55.95 56.74 2cug s SER 26 Cb 0.05 -0.35 1.38 0.00 0.21 0.00 0.00 66.02 67.30 2cug s SER 26 CO -0.01 -0.71 1.93 0.08 0.41 0.00 0.00 173.24 174.94 2cug h ARG 27 N 1.09 0.07 0.00 12.44 0.11 -2.02 0.41 114.38 126.48 2cug h ARG 27 Ca -0.41 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.65 2cug h ARG 27 Cb 1.27 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 2cug h ARG 27 CO 0.61 0.05 -0.08 0.00 0.10 0.00 0.00 179.97 180.64 2cug h THR 28 N 0.07 0.46 -3.26 0.08 1.03 -2.06 -3.42 112.91 105.81 2cug h THR 28 Ca 0.35 -0.41 -0.53 0.00 -0.01 0.00 0.00 66.41 65.82 2cug h THR 28 Cb 1.30 1.28 0.01 0.00 -1.07 0.00 0.00 68.15 69.67 2cug h THR 28 CO -0.03 0.08 0.60 0.00 -0.01 0.00 0.00 175.52 176.16 2cug s ALA 29 N -4.21 3.46 0.43 0.00 0.00 0.14 -5.04 121.76 116.55 2cug s ALA 29 Ca -0.03 0.96 0.08 0.00 0.00 0.00 0.00 51.96 52.96 2cug s ALA 29 Cb 0.13 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2cug s ALA 29 CO 0.56 -0.46 0.41 -1.54 0.00 0.00 0.00 175.76 174.73 2cug s SER 30 N 0.72 5.07 0.57 0.00 1.04 -1.26 -4.85 113.70 114.99 2cug s SER 30 Ca 0.58 -0.75 0.44 0.00 0.48 0.00 0.00 55.95 56.69 2cug s SER 30 Cb -0.33 -0.50 1.52 0.00 0.10 0.00 0.00 66.02 66.81 2cug s SER 30 CO 0.32 -0.71 1.51 1.56 0.98 0.00 0.00 173.24 176.91 2cug h GLN 31 N 0.96 0.00 0.40 4.02 1.08 -1.98 0.20 115.11 119.79 2cug h GLN 31 Ca -0.41 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.77 2cug h GLN 31 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2cug h GLN 31 CO 0.56 0.00 -0.19 0.00 -0.95 0.00 0.00 178.83 178.25 2cug h ALA 32 N 0.90 -0.61 -1.00 3.87 0.00 -1.99 -2.17 119.26 118.26 2cug h ALA 32 Ca 0.80 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.69 2cug h ALA 32 Cb 3.49 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 21.41 2cug h ALA 32 CO -0.01 -0.57 0.64 0.22 0.00 0.00 0.00 179.25 179.53 2cug h ASP 33 N -1.00 0.96 0.88 0.00 3.58 -1.05 -1.89 116.42 117.90 2cug h ASP 33 Ca -0.06 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2cug h ASP 33 Cb 0.42 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.31 2cug h ASP 33 CO 0.09 0.56 -0.42 0.40 -2.88 0.00 0.00 179.24 176.98 2cug h ILE 34 N 1.06 0.13 -0.91 2.25 2.04 -1.15 0.29 117.51 121.21 2cug h ILE 34 Ca 0.47 -0.01 0.19 0.00 1.00 0.00 0.00 64.86 66.51 2cug h ILE 34 Cb 0.36 0.13 -0.11 0.00 -0.74 0.00 0.00 36.82 36.46 2cug h ILE 34 CO -0.22 0.00 0.48 0.50 0.00 0.00 0.00 178.15 178.91 2cug h LYS 35 N -1.19 0.56 -0.14 2.37 3.64 -1.08 0.23 116.57 120.95 2cug h LYS 35 Ca -0.12 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 2cug h LYS 35 Cb 0.91 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2cug h LYS 35 CO 0.20 0.37 -0.54 -0.22 -2.27 0.00 0.00 179.45 176.99 2cug h LYS 36 N 0.58 0.41 -0.32 1.90 3.64 -1.13 -2.93 116.57 118.72 2cug h LYS 36 Ca 0.54 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 2cug h LYS 36 Cb 0.89 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2cug h LYS 36 CO -0.43 0.84 -0.15 0.00 -2.27 0.00 0.00 179.45 177.45 2cug h ALA 37 N 1.11 0.45 0.49 5.00 0.00 0.25 -3.21 119.26 123.35 2cug h ALA 37 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2cug h ALA 37 Cb 1.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2cug h ALA 37 CO 0.09 0.34 -0.28 -0.92 0.00 0.00 0.00 179.25 178.48 2cug h TYR 38 N 0.43 -0.75 -0.72 0.00 3.20 -0.71 -2.59 116.97 115.82 2cug h TYR 38 Ca 0.07 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.04 2cug h TYR 38 Cb 0.67 0.26 -0.11 0.00 1.54 0.00 0.00 36.73 39.09 2cug h TYR 38 CO 0.06 -0.43 -0.30 1.63 -1.64 0.00 0.00 178.16 177.48 2cug n LYS 39 N -4.12 -0.18 0.10 1.82 4.01 -1.11 0.34 118.16 119.02 2cug n LYS 39 Ca -0.09 1.10 -0.14 0.00 -0.51 0.00 0.00 58.31 58.67 2cug n LYS 39 Cb 0.30 -1.63 -0.07 0.00 -0.51 0.00 0.00 35.03 33.11 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 -0.60 -0.58 1.97 3.11 -1.53 0.28 116.57 119.22 2cug h LYS 40 Ca 0.23 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.21 2cug h LYS 40 Cb 0.41 0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 31.71 2cug h LYS 40 CO -0.71 -0.40 0.20 -0.07 -2.81 0.00 0.00 179.45 175.66 2cug h LEU 41 N -0.62 0.18 -1.08 5.20 3.38 0.29 0.20 115.31 122.86 2cug h LEU 41 Ca 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2cug h LEU 41 Cb 0.67 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2cug h LEU 41 CO -0.26 0.11 0.40 0.00 0.09 0.00 0.00 178.44 178.78 2cug h ALA 42 N 1.41 1.29 -0.21 1.53 0.00 -0.00 0.32 119.26 123.60 2cug h ALA 42 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2cug h ALA 42 Cb 0.36 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2cug h ALA 42 CO -0.30 0.57 -0.24 0.00 0.00 0.00 0.00 179.25 179.27 2cug h ARG 43 N 1.05 0.53 0.43 0.00 3.08 0.90 0.16 114.38 120.53 2cug h ARG 43 Ca 0.26 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2cug h ARG 43 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2cug h ARG 43 CO -0.04 0.88 -0.21 0.93 -1.07 0.00 0.00 179.97 180.47 2cug h GLU 44 N 0.21 -0.55 -0.07 0.04 4.39 -0.40 -3.07 114.58 115.11 2cug h GLU 44 Ca 0.03 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2cug h GLU 44 Cb 0.80 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2cug h GLU 44 CO 0.06 -0.26 0.00 0.91 -1.16 0.00 0.00 179.01 178.56 2cug n TRP 45 N -5.18 0.00 -1.48 4.33 7.02 0.11 -4.86 117.44 117.38 2cug n TRP 45 Ca -0.09 0.00 -0.47 0.00 -1.02 0.00 0.00 57.50 55.92 2cug n TRP 45 Cb 0.28 -0.01 -0.07 0.00 -2.42 0.00 0.00 31.31 29.09 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 -0.46 1.49 0.18 -5.99 -0.00 0.57 -4.51 115.22 106.49 2cug n HIS 46 Ca 0.00 0.23 0.02 0.00 0.46 0.00 0.00 57.72 58.43 2cug n HIS 46 Cb 0.02 -2.55 0.32 0.00 -0.12 0.00 0.00 29.99 27.66 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 13.76 0.00 -0.21 1.57 0.13 -1.86 0.22 132.00 145.61 2cug h PRO 47 Ca -0.25 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.94 2cug h PRO 47 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2cug h PRO 47 CO 1.08 0.43 0.16 0.22 -0.23 0.00 0.00 178.00 179.67 2cug h ASP 48 N 0.00 0.00 0.00 1.44 3.58 -1.95 -2.77 116.42 116.72 2cug h ASP 48 Ca -0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.23 2cug h ASP 48 Cb 0.82 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.83 2cug h ASP 48 CO 0.06 0.00 -1.83 1.17 -2.88 0.00 0.00 179.24 175.76 2cug n LYS 49 N -4.30 1.93 -1.54 0.28 4.81 -1.11 -5.01 118.16 113.22 2cug n LYS 49 Ca 0.02 -0.01 -0.36 0.00 -0.87 0.00 0.00 58.31 57.09 2cug n LYS 49 Cb 0.30 -1.31 0.09 0.00 0.02 0.00 0.00 35.03 34.13 2cug n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2cug n ASN 50 N -2.43 1.73 -0.02 3.14 2.85 0.05 -4.96 115.26 115.63 2cug n ASN 50 Ca -0.19 0.75 -0.02 0.00 -0.11 0.00 0.00 54.58 55.02 2cug n ASN 50 Cb 0.87 -1.54 -0.02 0.00 1.24 0.00 0.00 39.78 40.33 2cug n ASN 50 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2cug n LYS 51 N -2.31 3.10 -1.90 1.20 4.01 -1.26 -4.89 118.16 116.11 2cug n LYS 51 Ca 0.15 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.54 2cug n LYS 51 Cb 0.49 -1.08 -0.02 0.00 -0.51 0.00 0.00 35.03 33.91 2cug n LYS 51 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2cug s ASP 52 N -3.49 6.52 -0.33 4.39 1.11 -1.26 -4.92 116.67 118.70 2cug s ASP 52 Ca -0.02 2.79 -0.29 0.00 0.18 0.00 0.00 52.55 55.21 2cug s ASP 52 Cb 0.01 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.36 2cug s ASP 52 CO 0.12 -0.81 1.68 -2.16 1.18 0.00 0.00 175.17 175.18 2cug s PRO 53 N -0.28 3.48 0.00 8.23 0.04 -1.26 -3.24 135.00 141.96 2cug s PRO 53 Ca 0.62 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2cug s PRO 53 Cb -0.45 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 29.97 2cug s PRO 53 CO 0.44 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2cug n GLY 54 N 5.21 4.48 0.29 0.56 0.00 -1.26 -4.99 105.19 109.49 2cug n GLY 54 Ca 0.21 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.43 -0.19 4.61 0.00 -1.20 0.13 120.51 124.29 2cug n ALA 55 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.35 2cug n ALA 55 Cb 0.00 -0.66 0.09 0.00 0.00 0.00 0.00 19.45 18.88 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 0.16 -0.84 0.00 4.81 -1.84 -1.43 114.58 115.43 2cug h GLU 56 Ca 0.51 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.89 2cug h GLU 56 Cb 1.05 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.24 2cug h GLU 56 CO -0.80 0.11 -0.27 0.22 -0.73 0.00 0.00 179.01 177.54 2cug h ASP 57 N 0.16 -0.98 -0.12 1.04 3.58 0.63 0.80 116.42 121.53 2cug h ASP 57 Ca 0.30 0.26 -0.01 0.00 0.42 0.00 0.00 57.03 58.00 2cug h ASP 57 Cb 0.47 0.58 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2cug h ASP 57 CO -0.45 -0.29 0.02 -0.09 -2.88 0.00 0.00 179.24 175.55 2cug h ARG 58 N -0.03 0.19 -0.79 0.28 9.65 -1.31 -3.04 114.38 119.33 2cug h ARG 58 Ca 0.37 -0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.39 2cug h ARG 58 Cb 0.61 -0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 29.03 2cug h ARG 58 CO -0.87 0.38 0.09 0.35 2.80 0.00 0.00 179.97 182.71 2cug h PHE 59 N -0.02 0.09 -0.23 2.20 3.57 -0.23 0.52 116.94 122.85 2cug h PHE 59 Ca 0.04 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2cug h PHE 59 Cb 0.27 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 2cug h PHE 59 CO 0.01 -0.22 -0.11 0.82 -2.23 0.00 0.00 178.31 176.58 2cug h ILE 60 N 0.15 0.65 0.91 1.41 2.04 -1.05 -1.85 117.51 119.77 2cug h ILE 60 Ca 0.45 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.27 2cug h ILE 60 Cb 0.83 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2cug h ILE 60 CO -0.65 0.00 -0.44 1.56 0.00 0.00 0.00 178.15 178.63 2cug h GLN 61 N -0.08 -1.17 -0.98 2.37 4.20 -0.95 0.15 115.11 118.64 2cug h GLN 61 Ca 0.12 0.08 0.33 0.00 0.06 0.00 0.00 58.65 59.24 2cug h GLN 61 Cb 0.27 0.27 -0.18 0.00 0.30 0.00 0.00 27.48 28.14 2cug h GLN 61 CO -0.28 -0.78 0.28 0.82 -0.67 0.00 0.00 178.83 178.20 2cug h ILE 62 N -1.26 0.06 -0.04 2.54 2.04 -0.94 1.28 117.51 121.19 2cug h ILE 62 Ca -0.12 -0.02 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 2cug h ILE 62 Cb 0.94 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2cug h ILE 62 CO 0.20 0.01 -0.82 -1.28 0.00 0.00 0.00 178.15 176.27 2cug h SER 63 N 0.05 0.43 1.29 1.72 0.87 -1.12 -2.36 113.55 114.43 2cug h SER 63 Ca 0.70 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2cug h SER 63 Cb 1.64 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2cug h SER 63 CO -0.82 1.08 0.00 0.11 -0.53 0.00 0.00 176.83 176.67 2cug h LYS 64 N 0.22 0.00 0.14 2.24 1.79 0.34 -1.16 116.57 120.13 2cug h LYS 64 Ca -0.05 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.06 2cug h LYS 64 Cb 1.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 2cug h LYS 64 CO 0.14 0.00 -1.91 0.00 -1.08 0.00 0.00 179.45 176.60 2cug h ALA 65 N 2.23 0.35 0.06 3.86 0.00 0.39 -3.38 119.26 122.78 2cug h ALA 65 Ca 0.00 -1.31 -0.22 0.00 0.00 0.00 0.00 54.91 53.38 2cug h ALA 65 Cb 0.64 0.62 0.02 0.00 0.00 0.00 0.00 17.79 19.08 2cug h ALA 65 CO 0.00 1.23 -0.90 -0.92 0.00 0.00 0.00 179.25 178.66 2cug h TYR 66 N 0.08 0.79 -1.36 0.00 3.20 -1.42 -3.23 116.97 115.03 2cug h TYR 66 Ca -0.39 -0.47 0.39 0.00 3.14 0.00 0.00 58.73 61.40 2cug h TYR 66 Cb 2.06 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 40.20 2cug h TYR 66 CO 0.08 1.31 1.01 1.05 -1.64 0.00 0.00 178.16 179.98 2cug h GLU 67 N 0.04 0.00 -0.02 1.82 4.11 -1.40 0.82 114.58 119.95 2cug h GLU 67 Ca -0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 2cug h GLU 67 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2cug h GLU 67 CO 0.17 0.00 -0.14 0.82 0.07 0.00 0.00 179.01 179.94 2cug h ILE 68 N 0.00 1.52 0.12 -1.06 2.04 -1.72 -3.21 117.51 115.19 2cug h ILE 68 Ca 0.64 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2cug h ILE 68 Cb 2.66 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 41.33 2cug h ILE 68 CO -0.01 0.46 -0.06 -0.07 0.00 0.00 0.00 178.15 178.48 2cug h LEU 69 N -0.51 -0.14 -0.75 1.44 3.38 -0.53 1.48 115.31 119.68 2cug h LEU 69 Ca -0.01 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 57.94 2cug h LEU 69 Cb 0.83 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 2cug h LEU 69 CO 0.03 0.41 -0.21 -0.24 0.09 0.00 0.00 178.44 178.52 2cug n SER 70 N -4.87 -0.32 -4.68 -0.43 2.88 0.25 -3.98 113.62 102.47 2cug n SER 70 Ca -0.04 1.30 -0.43 0.00 -1.33 0.00 0.00 58.87 58.37 2cug n SER 70 Cb 0.15 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 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 -5.21 7.13 0.24 -3.46 0.01 -1.21 -4.93 114.94 107.50 2cug s ASN 71 Ca -0.11 1.57 -0.06 0.00 -0.71 0.00 0.00 52.86 53.55 2cug s ASN 71 Cb 0.19 -2.55 0.29 0.00 0.41 0.00 0.00 41.25 39.59 2cug s ASN 71 CO 0.58 -0.57 1.88 1.05 -1.51 0.00 0.00 177.10 178.52 2cug h GLU 72 N 7.40 1.06 0.42 -0.60 -0.00 -1.85 0.11 114.58 121.11 2cug h GLU 72 Ca -0.28 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.00 2cug h GLU 72 Cb 1.12 -0.24 0.00 0.00 -0.00 0.00 0.00 28.75 29.64 2cug h GLU 72 CO 0.91 0.70 -0.20 0.93 -0.00 0.00 0.00 179.01 181.34 2cug h GLU 73 N 1.09 -0.55 -0.51 1.06 5.08 -1.91 -2.58 114.58 116.27 2cug h GLU 73 Ca 0.36 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.84 2cug h GLU 73 Cb 0.04 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2cug h GLU 73 CO -0.13 -0.24 0.12 0.87 -1.00 0.00 0.00 179.01 178.63 2cug h LYS 74 N -0.93 0.25 -0.13 2.33 1.57 -1.72 0.18 116.57 118.12 2cug h LYS 74 Ca -0.06 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2cug h LYS 74 Cb 0.56 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 2cug h LYS 74 CO 0.10 0.17 -0.27 -0.09 -0.57 0.00 0.00 179.45 178.79 2cug h ARG 75 N 0.26 -0.33 -0.71 3.15 2.43 0.48 0.19 114.38 119.85 2cug h ARG 75 Ca 0.25 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2cug h ARG 75 Cb 0.33 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2cug h ARG 75 CO -0.32 -0.22 0.25 1.15 -1.51 0.00 0.00 179.97 179.33 2cug h THR 76 N -0.34 1.25 -0.92 0.20 2.02 -1.00 -2.61 112.91 111.52 2cug h THR 76 Ca 0.10 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2cug h THR 76 Cb 0.49 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2cug h THR 76 CO -0.32 0.33 0.61 -1.13 0.37 0.00 0.00 175.52 175.38 2cug h ASN 77 N 1.03 1.06 -0.68 4.18 -1.24 0.06 0.13 115.58 120.12 2cug h ASN 77 Ca 0.23 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.18 2cug h ASN 77 Cb 0.25 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 2cug h ASN 77 CO -0.01 0.77 0.30 0.22 -1.29 0.00 0.00 177.43 177.42 2cug h TYR 78 N 1.25 1.00 -0.13 0.67 3.20 -0.36 -1.71 116.97 120.89 2cug h TYR 78 Ca 0.34 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2cug h TYR 78 Cb -0.14 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 37.82 2cug h TYR 78 CO -0.01 0.76 -0.19 0.22 -1.64 0.00 0.00 178.16 177.31 2cug h ASP 79 N 0.95 0.38 -0.39 -2.11 3.58 -1.07 -2.92 116.42 114.84 2cug h ASP 79 Ca 0.23 -0.53 0.08 0.00 0.42 0.00 0.00 57.03 57.24 2cug h ASP 79 Cb 0.16 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2cug h ASP 79 CO -0.02 0.84 0.27 0.45 -2.88 0.00 0.00 179.24 177.89 2cug h HIS 80 N -0.06 0.18 0.00 0.28 3.86 -0.63 0.14 115.15 118.92 2cug h HIS 80 Ca 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2cug h HIS 80 Cb 0.75 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 2cug h HIS 80 CO 0.10 0.09 -0.08 -0.92 0.86 0.00 0.00 177.93 177.97 2cug h TYR 81 N 0.17 0.00 0.00 2.45 5.03 -1.22 -3.46 116.97 119.94 2cug h TYR 81 Ca 0.18 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2cug h TYR 81 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2cug h TYR 81 CO -0.00 0.08 0.00 0.41 -1.32 0.00 0.00 178.16 177.33 2cug n GLY 82 N -0.21 1.12 0.29 1.82 0.00 0.49 -5.01 105.19 103.69 2cug n GLY 82 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.38 -2.53 1.61 3.41 -1.11 -4.42 113.62 110.20 2cug n SER 83 Ca 0.00 1.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.98 2cug n SER 83 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2cug n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cug n GLY 84 N -1.45 -0.06 3.60 5.00 0.00 -1.26 -4.74 105.19 106.28 2cug n GLY 84 Ca 0.11 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 0.50 3.34 -0.02 1.61 0.04 -1.26 -4.99 135.00 134.21 2cug s PRO 85 Ca 0.00 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.35 2cug s PRO 85 Cb 0.00 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 2cug s PRO 85 CO 0.00 -1.85 -0.19 -1.54 0.04 0.00 0.00 177.00 173.46 2cug s SER 86 N 5.73 2.27 -1.28 6.66 1.04 -1.26 -4.74 113.70 122.12 2cug s SER 86 Ca 0.74 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 2cug s SER 86 Cb -0.20 -0.35 0.01 0.00 0.10 0.00 0.00 66.02 65.58 2cug s SER 86 CO 0.32 0.22 1.11 -1.20 0.98 0.00 0.00 173.24 174.68 2cug n SER 87 N 2.74 -5.79 -0.77 7.02 7.64 -1.26 -5.15 113.62 118.05 2cug n SER 87 Ca -0.16 -0.52 0.10 0.00 1.01 0.00 0.00 58.87 59.30 2cug n SER 87 Cb 0.53 -4.83 0.08 0.00 -1.01 0.00 0.00 64.21 58.98 2cug n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64