#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cug h SER 2 N 0.00 0.23 -4.08 1.61 0.87 -2.14 -3.46 113.55 106.59 2cug h SER 2 Ca 0.00 -0.79 -0.48 0.00 -1.23 0.00 0.00 61.79 59.29 2cug h SER 2 Cb 0.00 -0.07 0.07 0.00 -0.44 0.00 0.00 62.40 61.96 2cug h SER 2 CO 0.00 0.99 0.30 -0.44 -0.53 0.00 0.00 176.83 177.15 2cug s SER 3 N -6.34 5.46 0.00 6.23 0.01 -1.26 -5.06 113.70 112.74 2cug s SER 3 Ca -0.16 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2cug s SER 3 Cb 0.01 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2cug s SER 3 CO 0.74 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2cug n GLY 4 N -2.82 4.71 3.37 3.44 0.00 -1.26 -5.17 105.19 107.46 2cug n GLY 4 Ca 0.06 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2cug n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cug s SER 5 N 0.00 2.89 -0.02 1.61 0.01 -1.26 -5.15 113.70 111.78 2cug s SER 5 Ca 0.00 -0.93 0.05 0.00 1.31 0.00 0.00 55.95 56.38 2cug s SER 5 Cb 0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2cug s SER 5 CO 0.00 -0.04 -0.16 -0.55 0.41 0.00 0.00 173.24 172.90 2cug s SER 6 N -2.95 1.95 0.22 2.44 0.15 -1.26 -5.15 113.70 109.10 2cug s SER 6 Ca 0.20 -0.31 0.10 0.00 0.70 0.00 0.00 55.95 56.65 2cug s SER 6 Cb -0.05 -0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 63.91 2cug s SER 6 CO 0.08 0.19 -0.19 -0.83 1.20 0.00 0.00 173.24 173.69 2cug s GLY 7 N -0.26 1.64 0.81 9.45 0.00 -1.26 -5.12 107.32 112.57 2cug s GLY 7 Ca 0.04 -1.70 -0.14 0.00 0.00 0.00 0.00 44.72 42.92 2cug s GLY 7 CO 0.00 -1.77 0.85 4.51 0.00 0.00 0.00 173.10 176.69 2cug n ILE 8 N -0.21 1.61 -4.15 0.90 3.06 -1.26 -5.03 119.36 114.28 2cug n ILE 8 Ca -0.09 -0.26 -0.17 0.00 -2.50 0.00 0.00 62.75 59.73 2cug n ILE 8 Cb 0.59 -0.96 -0.12 0.00 0.54 0.00 0.00 39.64 39.69 2cug n ILE 8 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2cug s LEU 9 N -3.16 2.27 -0.12 9.51 1.43 -1.26 -5.15 118.68 122.21 2cug s LEU 9 Ca 0.68 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2cug s LEU 9 Cb -0.29 -0.44 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 2cug s LEU 9 CO 0.56 -0.10 -0.09 -1.58 0.23 0.00 0.00 176.35 175.36 2cug s GLN 10 N -1.71 3.33 0.04 1.70 2.00 -1.26 -5.12 119.66 118.65 2cug s GLN 10 Ca -0.04 -0.61 0.07 0.00 -2.00 0.00 0.00 55.36 52.78 2cug s GLN 10 Cb -0.10 -2.71 -0.02 0.00 0.80 0.00 0.00 33.01 30.98 2cug s GLN 10 CO 0.02 0.32 -0.20 -1.12 -0.50 0.00 0.00 175.29 173.81 2cug s SER 11 N 0.10 2.36 -0.09 6.67 0.01 -1.26 -5.07 113.70 116.43 2cug s SER 11 Ca -0.04 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 2cug s SER 11 Cb -0.14 -0.19 -0.07 0.00 0.21 0.00 0.00 66.02 65.83 2cug s SER 11 CO 0.04 0.14 0.33 -0.07 0.41 0.00 0.00 173.24 174.09 2cug h LEU 12 N 4.88 -0.12 -9.58 2.44 4.07 -2.04 -3.47 115.31 111.49 2cug h LEU 12 Ca -0.42 -0.15 -0.57 0.00 0.08 0.00 0.00 57.88 56.82 2cug h LEU 12 Cb 1.16 0.03 -0.10 0.00 1.08 0.00 0.00 40.66 42.84 2cug h LEU 12 CO 0.44 0.43 -0.63 -0.94 -1.08 0.00 0.00 178.44 176.65 2cug s SER 13 N -5.48 4.81 0.31 -0.43 1.04 -1.26 -5.13 113.70 107.55 2cug s SER 13 Ca -0.05 -0.46 -0.19 0.00 0.48 0.00 0.00 55.95 55.73 2cug s SER 13 Cb -0.00 -1.02 0.03 0.00 0.10 0.00 0.00 66.02 65.13 2cug s SER 13 CO 0.19 0.04 0.72 0.00 0.98 0.00 0.00 173.24 175.16 2cug s ALA 14 N -1.99 -1.00 0.52 5.32 0.00 -1.26 -5.00 121.76 118.35 2cug s ALA 14 Ca 0.30 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.82 2cug s ALA 14 Cb -0.08 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2cug s ALA 14 CO 0.20 -1.01 0.23 -0.48 0.00 0.00 0.00 175.76 174.70 2cug s LEU 15 N -2.97 2.58 0.17 0.00 2.34 -1.26 -5.02 118.68 114.51 2cug s LEU 15 Ca 0.13 -1.39 -0.28 0.00 0.06 0.00 0.00 54.13 52.65 2cug s LEU 15 Cb -0.05 -1.04 -0.01 0.00 -0.56 0.00 0.00 46.19 44.53 2cug s LEU 15 CO 0.08 -0.96 1.55 0.44 -1.06 0.00 0.00 176.35 176.40 2cug h ASP 16 N 1.03 -1.88 -4.69 1.48 3.32 -2.02 -3.42 116.42 110.24 2cug h ASP 16 Ca -0.40 0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 2cug h ASP 16 Cb 1.30 0.84 -0.21 0.00 0.22 0.00 0.00 39.33 41.48 2cug h ASP 16 CO 0.65 -0.29 -0.30 0.72 -1.72 0.00 0.00 179.24 178.29 2cug s PHE 17 N -5.66 -0.22 0.02 4.55 -0.12 -1.26 -5.16 117.98 110.13 2cug s PHE 17 Ca -0.13 0.41 -0.14 0.00 -0.05 0.00 0.00 56.93 57.02 2cug s PHE 17 Cb 0.12 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 2cug s PHE 17 CO 0.64 -0.33 0.40 0.34 -0.05 0.00 0.00 175.22 176.23 2cug s ASP 18 N -0.94 6.77 0.11 1.98 2.15 -1.26 -5.01 116.67 120.48 2cug s ASP 18 Ca -0.10 0.92 -0.14 0.00 0.43 0.00 0.00 52.55 53.67 2cug s ASP 18 Cb -0.05 -2.23 -0.07 0.00 -0.30 0.00 0.00 42.92 40.27 2cug s ASP 18 CO 0.03 0.29 1.44 1.55 -0.17 0.00 0.00 175.17 178.31 2cug h PRO 19 N 4.48 0.77 -0.30 4.34 0.13 -1.96 -1.81 132.00 137.65 2cug h PRO 19 Ca -0.51 -0.41 -0.11 0.00 -0.87 0.00 0.00 66.00 64.10 2cug h PRO 19 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2cug h PRO 19 CO 0.62 1.03 -0.26 1.88 -0.23 0.00 0.00 178.00 181.05 2cug h TYR 20 N 0.54 0.84 -0.18 1.56 0.05 -1.88 -2.09 116.97 115.81 2cug h TYR 20 Ca 0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.58 2cug h TYR 20 Cb 0.89 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2cug h TYR 20 CO 0.07 0.98 0.06 0.00 -1.05 0.00 0.00 178.16 178.23 2cug h ARG 21 N 0.46 0.28 0.56 4.88 2.47 -1.77 0.20 114.38 121.46 2cug h ARG 21 Ca 0.05 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2cug h ARG 21 Cb 0.82 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2cug h ARG 21 CO 0.07 0.37 -0.28 0.28 0.56 0.00 0.00 179.97 180.97 2cug h VAL 22 N 0.13 0.00 -0.81 2.04 2.07 -1.34 -2.87 116.25 115.47 2cug h VAL 22 Ca 0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.75 2cug h VAL 22 Cb 0.20 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.92 2cug h VAL 22 CO -0.00 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.06 2cug h LEU 23 N -0.76 0.38 -0.52 2.57 3.38 -1.44 -3.46 115.31 115.45 2cug h LEU 23 Ca -0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2cug h LEU 23 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2cug h LEU 23 CO 0.12 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2cug n GLY 24 N -1.53 0.67 3.48 0.83 0.00 0.10 -4.87 105.19 103.86 2cug n GLY 24 Ca 0.16 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.89 0.57 0.53 1.61 -7.23 0.48 -5.03 120.40 109.44 2cug s VAL 25 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2cug s VAL 25 Cb 0.00 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2cug s VAL 25 CO 0.00 0.00 0.25 -0.55 -0.31 0.00 0.00 175.10 174.49 2cug s SER 26 N -3.56 4.45 0.50 4.85 0.15 -1.26 -4.42 113.70 114.40 2cug s SER 26 Ca 0.27 -1.38 0.22 0.00 0.70 0.00 0.00 55.95 55.76 2cug s SER 26 Cb 0.03 0.42 1.31 0.00 -1.71 0.00 0.00 66.02 66.06 2cug s SER 26 CO 0.16 -0.99 2.06 0.03 1.20 0.00 0.00 173.24 175.69 2cug h ARG 27 N 0.99 0.00 0.00 5.44 2.47 -2.02 -0.87 114.38 120.38 2cug h ARG 27 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2cug h ARG 27 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2cug h ARG 27 CO 0.64 0.13 0.00 -2.37 0.56 0.00 0.00 179.97 178.93 2cug n THR 28 N -3.94 0.30 -1.70 2.04 5.66 -1.26 -4.82 114.28 110.57 2cug n THR 28 Ca -0.02 0.07 -0.42 0.00 -3.05 0.00 0.00 64.05 60.63 2cug n THR 28 Cb 0.22 -0.66 -0.03 0.00 -1.55 0.00 0.00 70.33 68.32 2cug n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cug s ALA 29 N -2.88 3.70 0.19 1.79 0.00 -0.33 -4.99 121.76 119.24 2cug s ALA 29 Ca 0.15 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.56 2cug s ALA 29 Cb 0.16 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2cug s ALA 29 CO 0.43 -1.35 0.31 -1.12 0.00 0.00 0.00 175.76 174.03 2cug s SER 30 N 3.30 6.28 0.35 0.00 0.01 -1.26 -4.79 113.70 117.59 2cug s SER 30 Ca 0.84 0.11 0.28 0.00 1.31 0.00 0.00 55.95 58.48 2cug s SER 30 Cb -0.45 -1.86 1.14 0.00 0.21 0.00 0.00 66.02 65.06 2cug s SER 30 CO 0.38 -0.00 1.13 0.00 0.41 0.00 0.00 173.24 175.16 2cug n GLN 31 N -0.93 -0.02 0.22 12.44 1.13 -1.26 0.73 117.38 129.69 2cug n GLN 31 Ca -0.08 0.86 -0.10 0.00 -1.94 0.00 0.00 57.00 55.74 2cug n GLN 31 Cb 0.55 -1.80 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 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 1.00 -0.61 -0.71 -1.58 0.00 -1.99 -1.00 119.26 114.38 2cug h ALA 32 Ca 0.65 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.48 2cug h ALA 32 Cb 2.30 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 20.27 2cug h ALA 32 CO -0.22 -0.58 0.40 -0.44 0.00 0.00 0.00 179.25 178.41 2cug h ASP 33 N -1.14 0.60 0.43 0.00 5.19 -0.05 -1.05 116.42 120.40 2cug h ASP 33 Ca -0.06 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 2cug h ASP 33 Cb 0.50 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2cug h ASP 33 CO 0.10 0.38 -0.21 0.40 -3.12 0.00 0.00 179.24 176.80 2cug h ILE 34 N 0.73 0.57 -0.76 0.35 2.04 -0.95 -0.38 117.51 119.11 2cug h ILE 34 Ca 0.32 -0.20 0.14 0.00 1.00 0.00 0.00 64.86 66.12 2cug h ILE 34 Cb 0.20 0.66 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 2cug h ILE 34 CO -0.19 0.04 0.32 0.50 0.00 0.00 0.00 178.15 178.82 2cug h LYS 35 N -0.70 0.47 -0.45 2.37 3.64 -0.92 0.36 116.57 121.34 2cug h LYS 35 Ca -0.06 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2cug h LYS 35 Cb 0.51 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2cug h LYS 35 CO 0.10 0.31 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.30 2cug h LYS 36 N 0.48 0.79 0.00 1.90 3.64 -1.06 -1.63 116.57 120.70 2cug h LYS 36 Ca 0.41 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 2cug h LYS 36 Cb 0.60 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2cug h LYS 36 CO -0.38 0.84 -0.61 0.00 -2.27 0.00 0.00 179.45 177.03 2cug h ALA 37 N 1.20 0.95 0.13 5.00 0.00 0.79 -2.97 119.26 124.37 2cug h ALA 37 Ca 0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2cug h ALA 37 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cug h ALA 37 CO 0.03 0.76 -0.06 -0.92 0.00 0.00 0.00 179.25 179.06 2cug h TYR 38 N 0.00 -0.17 -0.93 0.00 3.20 -0.04 -3.07 116.97 115.97 2cug h TYR 38 Ca -0.01 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.13 2cug h TYR 38 Cb 1.10 0.06 -0.16 0.00 1.54 0.00 0.00 36.73 39.27 2cug h TYR 38 CO 0.00 -0.10 0.22 0.87 -1.64 0.00 0.00 178.16 177.51 2cug h LYS 39 N -0.48 0.13 0.37 1.82 1.57 -1.43 0.12 116.57 118.67 2cug h LYS 39 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2cug h LYS 39 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2cug h LYS 39 CO 0.03 0.08 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.27 2cug h LYS 40 N 0.13 -0.88 0.72 3.15 3.64 -1.62 0.31 116.57 122.01 2cug h LYS 40 Ca 0.60 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 60.01 2cug h LYS 40 Cb 1.29 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2cug h LYS 40 CO -0.74 -0.59 -0.39 -0.07 -2.27 0.00 0.00 179.45 175.39 2cug h LEU 41 N -0.92 -0.97 -1.16 5.20 3.38 -0.95 -1.66 115.31 118.23 2cug h LEU 41 Ca -0.04 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.24 2cug h LEU 41 Cb 0.83 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2cug h LEU 41 CO -0.14 -0.64 0.63 0.00 0.09 0.00 0.00 178.44 178.39 2cug h ALA 42 N -0.79 2.00 -0.32 1.53 0.00 -0.79 0.31 119.26 121.21 2cug h ALA 42 Ca -0.09 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2cug h ALA 42 Cb 0.81 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2cug h ALA 42 CO 0.12 -0.45 0.03 0.00 0.00 0.00 0.00 179.25 178.96 2cug h ARG 43 N 0.49 0.54 0.28 0.00 3.08 0.03 0.42 114.38 119.22 2cug h ARG 43 Ca 0.63 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.51 2cug h ARG 43 Cb 1.38 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2cug h ARG 43 CO -0.40 0.64 -0.14 0.93 -1.07 0.00 0.00 179.97 179.94 2cug h GLU 44 N 0.35 -0.37 0.00 0.04 5.08 0.13 -2.99 114.58 116.82 2cug h GLU 44 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2cug h GLU 44 Cb 0.38 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2cug h GLU 44 CO 0.01 -0.02 0.00 0.91 -1.00 0.00 0.00 179.01 178.91 2cug n TRP 45 N -5.08 0.00 -1.67 4.33 7.02 0.84 -4.81 117.44 118.07 2cug n TRP 45 Ca -0.09 0.00 -0.48 0.00 -1.02 0.00 0.00 57.50 55.91 2cug n TRP 45 Cb 0.26 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.11 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 -0.59 2.23 0.93 -5.99 -0.00 0.15 -4.54 115.22 107.40 2cug n HIS 46 Ca 0.04 0.20 0.08 0.00 0.46 0.00 0.00 57.72 58.49 2cug n HIS 46 Cb 0.02 -2.57 0.45 0.00 -0.12 0.00 0.00 29.99 27.76 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 4.84 0.44 0.09 1.57 -0.04 -1.26 -2.07 135.00 138.57 2cug n PRO 47 Ca 0.20 0.03 -0.19 0.00 -0.04 0.00 0.00 63.50 63.50 2cug n PRO 47 Cb 0.27 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.12 2cug n PRO 47 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2cug h ASP 48 N 0.00 0.69 0.00 3.54 2.03 -1.95 -3.36 116.42 117.37 2cug h ASP 48 Ca 0.00 -0.64 -0.34 0.00 -0.73 0.00 0.00 57.03 55.32 2cug h ASP 48 Cb 0.03 -0.22 -0.06 0.00 -0.83 0.00 0.00 39.33 38.24 2cug h ASP 48 CO 0.00 1.46 -2.29 1.17 -1.03 0.00 0.00 179.24 178.55 2cug n LYS 49 N -3.72 0.91 -2.13 4.15 4.81 -1.10 -4.93 118.16 116.15 2cug n LYS 49 Ca -0.11 -0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 2cug n LYS 49 Cb 0.96 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 34.50 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 -5.32 6.75 -0.20 3.14 0.01 -0.88 -4.88 114.94 113.57 2cug s ASN 50 Ca -0.09 2.11 0.12 0.00 -0.71 0.00 0.00 52.86 54.28 2cug s ASN 50 Cb 0.06 -2.54 -0.21 0.00 0.41 0.00 0.00 41.25 38.97 2cug s ASN 50 CO 0.77 -0.85 -0.02 0.29 -1.51 0.00 0.00 177.10 175.78 2cug n LYS 51 N 6.67 0.85 -1.72 -0.60 4.76 -1.26 -4.80 118.16 122.05 2cug n LYS 51 Ca 0.16 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 2cug n LYS 51 Cb 0.43 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 32.15 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2cug n ASP 52 N -2.85 2.85 -4.65 4.39 9.92 -1.26 -4.90 116.55 120.05 2cug n ASP 52 Ca -0.34 1.15 -0.43 0.00 -0.53 0.00 0.00 54.79 54.64 2cug n ASP 52 Cb 1.06 -1.52 -0.03 0.00 -0.64 0.00 0.00 41.12 39.99 2cug n ASP 52 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cug s PRO 53 N -2.15 4.04 0.00 -0.24 0.04 -1.26 -3.28 135.00 132.15 2cug s PRO 53 Ca 0.59 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2cug s PRO 53 Cb -0.51 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2cug s PRO 53 CO 0.60 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2cug n GLY 54 N 4.23 3.69 0.40 0.56 0.00 -1.26 -4.96 105.19 107.85 2cug n GLY 54 Ca 0.17 -0.93 0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 1.17 0.29 4.61 0.00 -1.20 -0.22 120.51 125.16 2cug n ALA 55 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 54.06 2cug n ALA 55 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.76 -0.84 0.00 4.81 -1.84 -2.27 114.58 113.68 2cug h GLU 56 Ca 0.76 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 60.11 2cug h GLU 56 Cb 2.44 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 31.89 2cug h GLU 56 CO -0.40 -0.50 -0.49 -0.25 -0.73 0.00 0.00 179.01 176.63 2cug n ASP 57 N -4.32 -0.89 -0.24 1.04 8.00 0.70 0.95 116.55 121.79 2cug n ASP 57 Ca -0.10 1.49 0.05 0.00 0.71 0.00 0.00 54.79 56.94 2cug n ASP 57 Cb 0.32 -0.19 0.17 0.00 -0.02 0.00 0.00 41.12 41.40 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2cug h ARG 58 N 0.00 0.30 -0.23 -1.24 9.65 -1.51 0.23 114.38 121.58 2cug h ARG 58 Ca 0.13 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2cug h ARG 58 Cb 0.34 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2cug h ARG 58 CO -0.79 0.20 -0.02 0.35 2.80 0.00 0.00 179.97 182.51 2cug h PHE 59 N 0.31 0.35 -0.83 2.20 3.57 0.12 -2.28 116.94 120.38 2cug h PHE 59 Ca 0.40 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.93 2cug h PHE 59 Cb 0.66 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2cug h PHE 59 CO -0.24 0.38 0.54 0.82 -2.23 0.00 0.00 178.31 177.59 2cug h ILE 60 N 0.34 1.08 0.03 1.41 1.08 0.25 -0.26 117.51 121.43 2cug h ILE 60 Ca 0.08 -0.33 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 2cug h ILE 60 Cb 0.27 0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.06 2cug h ILE 60 CO 0.01 0.17 -0.33 1.56 -0.69 0.00 0.00 178.15 178.88 2cug h GLN 61 N 0.96 0.18 -0.58 2.37 4.20 -1.21 -2.11 115.11 118.92 2cug h GLN 61 Ca 0.34 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.91 2cug h GLN 61 Cb 0.14 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 2cug h GLN 61 CO -0.12 1.01 0.23 0.82 -0.67 0.00 0.00 178.83 180.10 2cug h ILE 62 N -0.55 0.81 -0.20 2.54 2.04 -1.16 0.40 117.51 121.40 2cug h ILE 62 Ca -0.05 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 2cug h ILE 62 Cb 1.14 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2cug h ILE 62 CO 0.06 0.08 -0.20 -1.28 0.00 0.00 0.00 178.15 176.81 2cug h SER 63 N 0.42 0.52 -0.50 1.72 0.87 -1.15 -3.04 113.55 112.39 2cug h SER 63 Ca 0.28 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2cug h SER 63 Cb 0.31 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 2cug h SER 63 CO -0.27 0.89 0.26 0.11 -0.53 0.00 0.00 176.83 177.29 2cug h LYS 64 N 0.16 0.75 -0.19 2.24 1.79 -0.88 -1.32 116.57 119.11 2cug h LYS 64 Ca 0.03 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2cug h LYS 64 Cb 0.75 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 2cug h LYS 64 CO 0.05 0.58 0.10 0.00 -1.08 0.00 0.00 179.45 179.11 2cug h ALA 65 N 1.53 0.23 -0.28 3.86 0.00 -0.15 -2.96 119.26 121.50 2cug h ALA 65 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2cug h ALA 65 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2cug h ALA 65 CO -0.03 -0.31 -0.07 -0.92 0.00 0.00 0.00 179.25 177.93 2cug h TYR 66 N 0.22 0.61 -0.92 0.00 3.20 -1.38 -3.07 116.97 115.64 2cug h TYR 66 Ca 0.08 -0.13 0.39 0.00 3.14 0.00 0.00 58.73 62.20 2cug h TYR 66 Cb 0.00 -0.15 -0.17 0.00 1.54 0.00 0.00 36.73 37.96 2cug h TYR 66 CO -0.08 0.74 0.49 0.39 -1.64 0.00 0.00 178.16 178.06 2cug n GLU 67 N -4.51 -0.06 0.24 1.82 1.02 -0.53 0.12 120.64 118.75 2cug n GLU 67 Ca -0.03 1.27 -0.12 0.00 -0.02 0.00 0.00 57.16 58.26 2cug n GLU 67 Cb 0.31 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.39 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 0.23 0.70 -3.67 2.04 -1.51 -3.03 117.51 112.28 2cug h ILE 68 Ca 0.78 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 2cug h ILE 68 Cb 2.06 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2cug h ILE 68 CO -0.71 0.05 -0.34 -0.07 0.00 0.00 0.00 178.15 177.08 2cug h LEU 69 N -1.08 -0.80 -0.73 1.44 3.38 -0.63 0.57 115.31 117.47 2cug h LEU 69 Ca -0.07 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.11 2cug h LEU 69 Cb 0.57 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 2cug h LEU 69 CO 0.11 -0.46 -0.07 -0.24 0.09 0.00 0.00 178.44 177.87 2cug n SER 70 N -5.17 -0.16 -4.72 -0.43 2.88 0.32 -4.03 113.62 102.31 2cug n SER 70 Ca -0.12 1.24 -0.40 0.00 -1.33 0.00 0.00 58.87 58.26 2cug n SER 70 Cb 0.37 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 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 -5.08 7.15 0.07 -3.46 3.84 -1.14 -4.97 114.94 111.34 2cug s ASN 71 Ca -0.10 1.39 -0.21 0.00 0.21 0.00 0.00 52.86 54.14 2cug s ASN 71 Cb 0.21 -2.47 -0.12 0.00 -0.55 0.00 0.00 41.25 38.32 2cug s ASN 71 CO 0.57 -0.14 1.57 1.05 -2.79 0.00 0.00 177.10 177.36 2cug h GLU 72 N 6.57 0.21 0.06 0.43 4.11 -1.81 0.59 114.58 124.75 2cug h GLU 72 Ca -0.41 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2cug h GLU 72 Cb 1.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2cug h GLU 72 CO 0.74 0.35 -0.17 0.93 0.07 0.00 0.00 179.01 180.93 2cug h GLU 73 N 0.03 -0.25 -0.07 1.06 4.39 -1.92 0.21 114.58 118.03 2cug h GLU 73 Ca 0.04 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.79 2cug h GLU 73 Cb 0.23 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2cug h GLU 73 CO -0.00 -0.17 -0.13 0.87 -1.16 0.00 0.00 179.01 178.42 2cug h LYS 74 N -0.26 -0.19 -0.23 2.33 6.56 -1.77 0.32 116.57 123.34 2cug h LYS 74 Ca -0.01 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.63 2cug h LYS 74 Cb 0.26 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.90 2cug h LYS 74 CO -0.08 -0.12 -0.47 -0.09 -2.06 0.00 0.00 179.45 176.62 2cug h ARG 75 N -0.19 -0.41 0.68 3.15 2.43 0.26 0.73 114.38 121.03 2cug h ARG 75 Ca 0.07 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2cug h ARG 75 Cb 0.29 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2cug h ARG 75 CO -0.18 -0.27 -0.33 1.15 -1.51 0.00 0.00 179.97 178.83 2cug h THR 76 N -0.42 0.32 -0.98 0.20 2.02 -0.43 -2.80 112.91 110.81 2cug h THR 76 Ca 0.04 -0.05 0.33 0.00 0.77 0.00 0.00 66.41 67.50 2cug h THR 76 Cb 0.55 0.33 -0.17 0.00 -1.74 0.00 0.00 68.15 67.12 2cug h THR 76 CO -0.44 0.01 0.31 -1.13 0.37 0.00 0.00 175.52 174.63 2cug h ASN 77 N -0.95 -0.01 0.20 4.18 -1.24 -0.11 0.37 115.58 118.02 2cug h ASN 77 Ca -0.09 0.25 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 2cug h ASN 77 Cb 0.71 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.10 2cug h ASN 77 CO 0.15 -0.34 -0.10 0.22 -1.29 0.00 0.00 177.43 176.08 2cug h TYR 78 N 0.06 -0.25 -0.32 0.67 3.20 -0.61 -2.35 116.97 117.38 2cug h TYR 78 Ca 0.70 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.62 2cug h TYR 78 Cb 1.65 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 2cug h TYR 78 CO -0.23 -0.14 0.22 0.38 -1.64 0.00 0.00 178.16 176.75 2cug h ASP 79 N -0.29 0.18 0.38 -2.11 3.04 -0.11 0.25 116.42 117.76 2cug h ASP 79 Ca -0.03 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.75 2cug h ASP 79 Cb 0.22 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 38.46 2cug h ASP 79 CO 0.04 0.12 -0.29 -0.74 -2.04 0.00 0.00 179.24 176.33 2cug h HIS 80 N 0.20 -0.78 0.00 4.15 2.76 -0.56 -2.73 115.15 118.19 2cug h HIS 80 Ca 0.14 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2cug h HIS 80 Cb 0.32 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 2cug h HIS 80 CO -0.00 -0.44 -0.19 1.88 -1.30 0.00 0.00 177.93 177.89 2cug h TYR 81 N -0.68 0.00 0.00 5.26 0.05 -1.30 -3.47 116.97 116.84 2cug h TYR 81 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2cug h TYR 81 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2cug h TYR 81 CO -0.14 0.19 0.00 0.41 -1.05 0.00 0.00 178.16 177.56 2cug n GLY 82 N 0.99 3.00 0.02 3.88 0.00 0.86 -4.76 105.19 109.17 2cug n GLY 82 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.42 0.00 1.61 2.88 -1.25 -4.93 113.62 112.35 2cug n SER 83 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2cug n SER 83 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 1.54 -0.58 3.77 0.46 0.00 -1.26 -4.48 105.19 104.64 2cug n GLY 84 Ca -0.03 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.62 3.27 0.22 1.61 0.04 -1.26 -4.70 135.00 133.57 2cug s PRO 85 Ca 0.00 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.67 2cug s PRO 85 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2cug s PRO 85 CO 0.00 -0.91 0.30 -1.12 0.04 0.00 0.00 177.00 175.31 2cug s SER 86 N -1.89 6.11 -0.19 6.66 0.01 -1.26 -5.05 113.70 118.09 2cug s SER 86 Ca 0.72 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.77 2cug s SER 86 Cb -0.23 -1.75 -0.21 0.00 0.21 0.00 0.00 66.02 64.04 2cug s SER 86 CO 0.29 -0.03 0.32 -1.28 0.41 0.00 0.00 173.24 172.95 2cug h SER 87 N 1.49 0.04 0.00 2.44 0.87 -2.09 -3.55 113.55 112.75 2cug h SER 87 Ca -0.50 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.44 2cug h SER 87 Cb 1.22 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2cug h SER 87 CO 0.62 1.44 0.00 0.61 -0.53 0.00 0.00 176.83 178.98