#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 0.12 0.02 1.61 1.04 -1.26 -5.17 113.70 110.06 2cug s SER 2 Ca 0.00 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.13 2cug s SER 2 Cb 0.00 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2cug s SER 2 CO 0.00 -0.21 0.06 -0.94 0.98 0.00 0.00 173.24 173.13 2cug s SER 3 N -0.93 0.16 0.00 7.02 1.04 -1.26 -5.02 113.70 114.71 2cug s SER 3 Ca -0.10 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2cug s SER 3 Cb -0.06 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2cug s SER 3 CO -0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2cug n GLY 4 N 1.29 0.00 2.98 7.32 0.00 -1.26 -5.17 105.19 110.35 2cug n GLY 4 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2cug n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cug s SER 5 N 0.00 -0.11 -0.05 1.61 0.15 -1.26 -5.16 113.70 108.88 2cug s SER 5 Ca 0.00 0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.91 2cug s SER 5 Cb 0.00 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 2cug s SER 5 CO 0.00 -0.05 -0.15 -0.44 1.20 0.00 0.00 173.24 173.80 2cug s SER 6 N 0.15 3.97 0.00 5.45 0.01 -1.26 -5.00 113.70 117.02 2cug s SER 6 Ca -0.01 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2cug s SER 6 Cb -0.02 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.36 2cug s SER 6 CO -0.00 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2cug n GLY 7 N 2.37 1.35 0.42 3.44 0.00 -1.26 -4.95 105.19 106.57 2cug n GLY 7 Ca -0.17 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 44.87 2cug n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cug n ILE 8 N 2.66 0.00 -4.47 -0.61 2.08 -1.26 -4.91 119.36 112.85 2cug n ILE 8 Ca 0.00 -0.22 -0.28 0.00 0.56 0.00 0.00 62.75 62.81 2cug n ILE 8 Cb 0.00 0.51 -0.09 0.00 -0.75 0.00 0.00 39.64 39.31 2cug n ILE 8 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2cug s LEU 9 N -2.17 2.80 -0.25 1.39 -0.00 -1.26 -5.14 118.68 114.06 2cug s LEU 9 Ca 0.33 -1.35 -0.02 0.00 -0.00 0.00 0.00 54.13 53.09 2cug s LEU 9 Cb 0.20 -1.03 0.12 0.00 -0.00 0.00 0.00 46.19 45.48 2cug s LEU 9 CO 0.40 -0.61 0.28 -1.10 -0.00 0.00 0.00 176.35 175.31 2cug s GLN 10 N -3.84 0.27 -0.40 1.48 -0.21 -1.26 -5.12 119.66 110.58 2cug s GLN 10 Ca 0.30 0.10 -0.21 0.00 0.02 0.00 0.00 55.36 55.57 2cug s GLN 10 Cb 0.06 -0.86 0.01 0.00 1.00 0.00 0.00 33.01 33.22 2cug s GLN 10 CO 0.16 -0.82 0.64 -1.12 -2.12 0.00 0.00 175.29 172.03 2cug s SER 11 N 2.37 6.36 0.15 5.90 0.01 -1.26 -5.01 113.70 122.23 2cug s SER 11 Ca 0.09 -0.14 -0.24 0.00 1.31 0.00 0.00 55.95 56.96 2cug s SER 11 Cb -0.15 -2.32 0.06 0.00 0.21 0.00 0.00 66.02 63.82 2cug s SER 11 CO -0.22 -0.70 0.78 -1.48 0.41 0.00 0.00 173.24 172.03 2cug s LEU 12 N 2.78 -0.35 0.28 2.44 0.05 -1.26 -5.19 118.68 117.43 2cug s LEU 12 Ca 0.23 -0.24 0.04 0.00 0.05 0.00 0.00 54.13 54.20 2cug s LEU 12 Cb -0.14 2.39 -0.06 0.00 -2.05 0.00 0.00 46.19 46.33 2cug s LEU 12 CO 0.17 -0.96 0.04 -0.94 -0.55 0.00 0.00 176.35 174.11 2cug s SER 13 N -2.77 2.06 0.33 1.48 1.04 -1.26 -5.17 113.70 109.40 2cug s SER 13 Ca 0.07 -1.32 -0.19 0.00 0.48 0.00 0.00 55.95 55.00 2cug s SER 13 Cb -0.02 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.11 2cug s SER 13 CO -0.04 -0.58 0.76 0.00 0.98 0.00 0.00 173.24 174.36 2cug s ALA 14 N -3.38 -1.01 0.88 5.32 0.00 -1.26 -5.00 121.76 117.31 2cug s ALA 14 Ca 0.34 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 2cug s ALA 14 Cb 0.07 0.77 0.18 0.00 0.00 0.00 0.00 23.12 24.13 2cug s ALA 14 CO 0.13 -1.02 1.22 -0.48 0.00 0.00 0.00 175.76 175.61 2cug s LEU 15 N -2.99 2.80 0.10 0.00 2.34 -1.26 -4.99 118.68 114.68 2cug s LEU 15 Ca 0.13 0.06 -0.26 0.00 0.06 0.00 0.00 54.13 54.13 2cug s LEU 15 Cb -0.06 -2.20 -0.09 0.00 -0.56 0.00 0.00 46.19 43.29 2cug s LEU 15 CO 0.09 -2.45 1.43 -2.24 -1.06 0.00 0.00 176.35 172.12 2cug h ASP 16 N -1.28 -1.47 -4.76 1.48 2.03 -2.02 -3.43 116.42 106.96 2cug h ASP 16 Ca -0.42 0.19 -0.16 0.00 -0.73 0.00 0.00 57.03 55.92 2cug h ASP 16 Cb 1.25 0.60 -0.22 0.00 -0.83 0.00 0.00 39.33 40.13 2cug h ASP 16 CO 0.39 -0.31 -0.56 0.72 -1.03 0.00 0.00 179.24 178.45 2cug s PHE 17 N -5.07 0.06 -0.09 4.15 -0.12 -1.26 -5.16 117.98 110.50 2cug s PHE 17 Ca -0.11 -0.15 -0.05 0.00 -0.05 0.00 0.00 56.93 56.57 2cug s PHE 17 Cb 0.07 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2cug s PHE 17 CO 0.48 -0.22 0.12 0.34 -0.05 0.00 0.00 175.22 175.89 2cug s ASP 18 N -1.15 6.16 0.23 1.98 2.15 -1.26 -5.01 116.67 119.77 2cug s ASP 18 Ca -0.12 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2cug s ASP 18 Cb -0.07 -1.94 0.25 0.00 -0.30 0.00 0.00 42.92 40.86 2cug s ASP 18 CO 0.01 0.38 1.60 1.55 -0.17 0.00 0.00 175.17 178.53 2cug h PRO 19 N 4.78 0.49 -0.14 4.34 0.13 -1.96 -1.43 132.00 138.21 2cug h PRO 19 Ca -0.53 -0.26 -0.18 0.00 -0.87 0.00 0.00 66.00 64.16 2cug h PRO 19 Cb 1.21 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.36 2cug h PRO 19 CO 0.59 0.83 -0.63 1.88 -0.23 0.00 0.00 178.00 180.44 2cug h TYR 20 N 0.40 0.90 -0.44 1.56 -1.99 -1.89 -2.13 116.97 113.38 2cug h TYR 20 Ca 0.03 -0.39 -0.13 0.00 2.00 0.00 0.00 58.73 60.24 2cug h TYR 20 Cb 0.92 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 2cug h TYR 20 CO 0.03 1.20 -0.24 0.00 -0.00 0.00 0.00 178.16 179.15 2cug h ARG 21 N 0.35 0.94 0.64 4.88 3.08 -1.80 0.11 114.38 122.57 2cug h ARG 21 Ca -0.04 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 2cug h ARG 21 Cb 1.27 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.30 2cug h ARG 21 CO 0.13 1.08 -0.31 0.28 -1.07 0.00 0.00 179.97 180.09 2cug h VAL 22 N 0.78 0.22 -0.34 2.04 2.07 -1.30 -3.14 116.25 116.57 2cug h VAL 22 Ca 0.09 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2cug h VAL 22 Cb 0.82 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2cug h VAL 22 CO 0.07 0.03 0.10 -0.07 0.02 0.00 0.00 177.57 177.71 2cug h LEU 23 N -1.09 0.45 -0.98 2.57 3.38 -1.45 -3.47 115.31 114.71 2cug h LEU 23 Ca -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2cug h LEU 23 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2cug h LEU 23 CO 0.14 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2cug n GLY 24 N -1.13 0.54 3.26 0.83 0.00 0.23 -4.89 105.19 104.02 2cug n GLY 24 Ca 0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.11 1.25 0.48 1.61 -7.23 -0.35 -5.04 120.40 109.01 2cug s VAL 25 Ca 0.00 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.18 2cug s VAL 25 Cb 0.00 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.10 2cug s VAL 25 CO 0.00 -0.70 0.37 -0.44 -0.31 0.00 0.00 175.10 174.01 2cug s SER 26 N -3.14 4.75 0.37 4.85 0.01 -1.26 -4.58 113.70 114.71 2cug s SER 26 Ca 0.17 -1.03 0.13 0.00 1.31 0.00 0.00 55.95 56.53 2cug s SER 26 Cb 0.02 -0.09 0.96 0.00 0.21 0.00 0.00 66.02 67.12 2cug s SER 26 CO 0.02 -0.86 1.79 0.08 0.41 0.00 0.00 173.24 174.68 2cug h ARG 27 N 0.95 0.52 -0.13 12.44 0.11 -2.02 0.46 114.38 126.71 2cug h ARG 27 Ca -0.39 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 59.70 2cug h ARG 27 Cb 1.28 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 2cug h ARG 27 CO 0.59 0.34 0.14 0.00 0.10 0.00 0.00 179.97 181.14 2cug h THR 28 N 0.53 0.56 -3.41 0.08 1.03 -2.06 -3.41 112.91 106.23 2cug h THR 28 Ca 0.56 0.00 -0.52 0.00 -0.01 0.00 0.00 66.41 66.44 2cug h THR 28 Cb 1.19 0.89 0.03 0.00 -1.07 0.00 0.00 68.15 69.19 2cug h THR 28 CO -0.30 0.00 0.61 0.00 -0.01 0.00 0.00 175.52 175.82 2cug s ALA 29 N -4.71 3.48 0.46 0.00 0.00 0.16 -5.02 121.76 116.14 2cug s ALA 29 Ca -0.05 1.03 0.04 0.00 0.00 0.00 0.00 51.96 52.99 2cug s ALA 29 Cb 0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2cug s ALA 29 CO 0.57 -0.46 0.04 -1.12 0.00 0.00 0.00 175.76 174.79 2cug s SER 30 N 0.29 4.07 0.50 0.00 0.01 -1.26 -4.87 113.70 112.45 2cug s SER 30 Ca 0.55 -1.47 0.46 0.00 1.31 0.00 0.00 55.95 56.80 2cug s SER 30 Cb -0.35 0.05 1.58 0.00 0.21 0.00 0.00 66.02 67.52 2cug s SER 30 CO 0.37 -0.67 1.43 0.00 0.41 0.00 0.00 173.24 174.77 2cug n GLN 31 N -1.16 -0.00 0.16 12.44 1.13 -1.26 -0.05 117.38 128.64 2cug n GLN 31 Ca -0.11 1.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.87 2cug n GLN 31 Cb 0.67 -2.29 -0.03 0.00 0.11 0.00 0.00 30.24 28.70 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 0.93 -0.51 -0.80 -1.58 0.00 -1.99 -1.95 119.26 113.35 2cug h ALA 32 Ca 0.86 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.73 2cug h ALA 32 Cb 3.43 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 21.35 2cug h ALA 32 CO -0.03 -0.48 0.53 0.22 0.00 0.00 0.00 179.25 179.49 2cug h ASP 33 N -1.01 0.78 0.40 0.00 3.58 -0.82 -0.97 116.42 118.37 2cug h ASP 33 Ca -0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2cug h ASP 33 Cb 0.36 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2cug h ASP 33 CO 0.08 0.51 -0.19 0.40 -2.88 0.00 0.00 179.24 177.16 2cug h ILE 34 N 0.89 0.60 -0.57 2.25 2.04 -0.80 0.40 117.51 122.32 2cug h ILE 34 Ca 0.34 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2cug h ILE 34 Cb 0.20 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2cug h ILE 34 CO -0.12 0.06 0.38 0.50 0.00 0.00 0.00 178.15 178.97 2cug h LYS 35 N -0.72 0.53 -0.01 2.37 3.64 -1.04 0.18 116.57 121.53 2cug h LYS 35 Ca -0.05 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.07 2cug h LYS 35 Cb 0.51 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2cug h LYS 35 CO 0.09 0.35 -0.88 -0.22 -2.27 0.00 0.00 179.45 176.52 2cug h LYS 36 N 0.55 0.61 -0.49 1.90 3.64 -1.00 -3.09 116.57 118.68 2cug h LYS 36 Ca 0.24 -0.65 -0.11 0.00 -1.27 0.00 0.00 60.65 58.87 2cug h LYS 36 Cb 0.26 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2cug h LYS 36 CO -0.07 1.25 -0.11 0.00 -2.27 0.00 0.00 179.45 178.25 2cug h ALA 37 N 0.38 0.87 0.22 5.00 0.00 0.50 -3.10 119.26 123.13 2cug h ALA 37 Ca -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2cug h ALA 37 Cb 1.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cug h ALA 37 CO 0.17 0.64 -0.12 -0.92 0.00 0.00 0.00 179.25 179.03 2cug h TYR 38 N 0.82 -0.32 -0.91 0.00 3.20 -0.73 -2.29 116.97 116.75 2cug h TYR 38 Ca 0.13 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.08 2cug h TYR 38 Cb 0.64 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.91 2cug h TYR 38 CO 0.04 -0.19 -0.52 1.63 -1.64 0.00 0.00 178.16 177.49 2cug n LYS 39 N -2.94 -0.38 -0.16 1.82 5.02 -1.17 -0.77 118.16 119.58 2cug n LYS 39 Ca -0.04 1.38 -0.13 0.00 -2.02 0.00 0.00 58.31 57.50 2cug n LYS 39 Cb 0.13 -2.03 -0.10 0.00 -0.02 0.00 0.00 35.03 33.01 2cug n LYS 39 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2cug h LYS 40 N 0.00 -0.34 -0.53 1.97 6.56 -1.54 0.24 116.57 122.93 2cug h LYS 40 Ca 0.16 0.02 0.10 0.00 -1.06 0.00 0.00 60.65 59.88 2cug h LYS 40 Cb 0.39 0.08 -0.11 0.00 -0.57 0.00 0.00 32.23 32.02 2cug h LYS 40 CO -0.86 -0.23 -0.29 -0.07 -2.06 0.00 0.00 179.45 175.95 2cug h LEU 41 N -0.35 -0.99 -1.43 2.94 3.38 -0.34 0.31 115.31 118.82 2cug h LEU 41 Ca 0.08 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2cug h LEU 41 Cb 0.56 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 2cug h LEU 41 CO -0.61 -0.29 0.53 0.00 0.09 0.00 0.00 178.44 178.16 2cug h ALA 42 N 1.06 1.95 -0.47 1.53 0.00 0.06 0.30 119.26 123.68 2cug h ALA 42 Ca 0.23 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2cug h ALA 42 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2cug h ALA 42 CO -0.62 -0.16 -0.12 0.00 0.00 0.00 0.00 179.25 178.35 2cug h ARG 43 N 0.57 0.92 0.18 0.00 2.47 0.15 0.22 114.38 118.89 2cug h ARG 43 Ca 0.40 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2cug h ARG 43 Cb 0.74 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2cug h ARG 43 CO -0.16 1.01 -0.09 0.93 0.56 0.00 0.00 179.97 182.22 2cug h GLU 44 N 0.76 -0.24 0.00 0.04 5.08 0.20 -3.19 114.58 117.24 2cug h GLU 44 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2cug h GLU 44 Cb 0.67 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2cug h GLU 44 CO 0.05 0.13 0.00 0.91 -1.00 0.00 0.00 179.01 179.09 2cug n TRP 45 N -4.93 0.00 -1.65 4.33 7.02 0.90 -4.83 117.44 118.28 2cug n TRP 45 Ca -0.07 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 55.95 2cug n TRP 45 Cb 0.24 0.00 -0.04 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 -0.58 2.06 0.09 -5.99 -0.00 0.76 -4.42 115.22 107.14 2cug n HIS 46 Ca 0.03 0.42 -0.03 0.00 0.46 0.00 0.00 57.72 58.60 2cug n HIS 46 Cb 0.02 -2.46 0.19 0.00 -0.12 0.00 0.00 29.99 27.61 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 4.79 0.26 -0.86 1.57 0.13 -1.85 -1.32 132.00 134.72 2cug h PRO 47 Ca -0.45 -0.14 0.12 0.00 -0.87 0.00 0.00 66.00 64.66 2cug h PRO 47 Cb 1.28 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.33 2cug h PRO 47 CO 0.80 0.67 0.48 0.22 -0.23 0.00 0.00 178.00 179.94 2cug h ASP 48 N 0.21 0.65 0.55 1.44 3.58 -1.96 -2.20 116.42 118.69 2cug h ASP 48 Ca 0.01 0.06 -0.28 0.00 0.42 0.00 0.00 57.03 57.25 2cug h ASP 48 Cb 0.90 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.84 2cug h ASP 48 CO 0.07 0.33 -1.63 0.50 -2.88 0.00 0.00 179.24 175.64 2cug h LYS 49 N 0.75 0.00 -6.42 0.28 1.63 -1.91 -3.46 116.57 107.45 2cug h LYS 49 Ca 0.44 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.70 2cug h LYS 49 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 2cug h LYS 49 CO -0.29 0.53 0.32 -0.80 -3.45 0.00 0.00 179.45 175.76 2cug s ASN 50 N -6.14 7.36 -0.10 4.20 0.01 -0.50 -4.94 114.94 114.83 2cug s ASN 50 Ca -0.04 1.64 0.03 0.00 -0.71 0.00 0.00 52.86 53.78 2cug s ASN 50 Cb 0.08 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.11 2cug s ASN 50 CO 0.82 -0.15 -0.06 1.17 -1.51 0.00 0.00 177.10 177.37 2cug n LYS 51 N 3.40 0.98 -1.63 -0.60 3.00 -1.26 -4.73 118.16 117.33 2cug n LYS 51 Ca 0.03 0.04 -0.41 0.00 -0.00 0.00 0.00 58.31 57.98 2cug n LYS 51 Cb 0.50 -1.22 0.02 0.00 0.00 0.00 0.00 35.03 34.33 2cug n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2cug n ASP 52 N -2.67 1.42 -4.64 3.14 8.00 -1.26 -4.87 116.55 115.66 2cug n ASP 52 Ca -0.18 1.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.91 2cug n ASP 52 Cb 0.73 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.42 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 -2.14 3.89 0.00 -0.24 0.04 -1.26 -3.30 135.00 131.99 2cug s PRO 53 Ca 0.64 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2cug s PRO 53 Cb -0.53 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2cug s PRO 53 CO 0.56 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2cug n GLY 54 N 4.48 3.81 0.30 0.56 0.00 -1.26 -4.97 105.19 108.11 2cug n GLY 54 Ca 0.18 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.09 4.61 0.00 -1.21 0.12 120.51 124.38 2cug n ALA 55 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 53.44 54.29 2cug n ALA 55 Cb 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.14 -0.50 0.00 4.81 -1.82 -2.45 114.58 114.75 2cug h GLU 56 Ca 0.52 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.79 2cug h GLU 56 Cb 1.07 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 2cug h GLU 56 CO -0.80 0.09 -0.50 0.22 -0.73 0.00 0.00 179.01 177.29 2cug h ASP 57 N 0.14 -1.70 -0.13 1.04 1.82 0.53 -1.25 116.42 116.88 2cug h ASP 57 Ca 0.15 0.23 0.05 0.00 -0.39 0.00 0.00 57.03 57.07 2cug h ASP 57 Cb 0.19 0.71 -0.06 0.00 0.68 0.00 0.00 39.33 40.85 2cug h ASP 57 CO -0.23 -0.31 -0.34 -0.09 -1.61 0.00 0.00 179.24 176.67 2cug h ARG 58 N -0.25 -0.40 -0.95 0.28 9.65 -1.41 -1.16 114.38 120.14 2cug h ARG 58 Ca 0.08 0.03 0.29 0.00 -1.10 0.00 0.00 59.98 59.28 2cug h ARG 58 Cb 0.48 0.09 -0.16 0.00 -1.39 0.00 0.00 29.97 28.98 2cug h ARG 58 CO -0.60 -0.27 0.26 0.35 2.80 0.00 0.00 179.97 182.52 2cug h PHE 59 N -0.41 0.38 -0.38 2.20 3.57 -0.83 0.46 116.94 121.93 2cug h PHE 59 Ca 0.09 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2cug h PHE 59 Cb 0.56 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2cug h PHE 59 CO -0.42 -0.33 0.20 0.82 -2.23 0.00 0.00 178.31 176.36 2cug h ILE 60 N 0.12 1.01 -0.52 1.41 2.04 -0.10 -2.55 117.51 118.91 2cug h ILE 60 Ca 0.64 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 66.39 2cug h ILE 60 Cb 1.42 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 2cug h ILE 60 CO -0.75 0.08 0.29 1.56 0.00 0.00 0.00 178.15 179.33 2cug h GLN 61 N 0.42 0.56 -0.13 2.37 4.20 0.13 -1.23 115.11 121.44 2cug h GLN 61 Ca 0.15 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.88 2cug h GLN 61 Cb 0.04 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.63 2cug h GLN 61 CO -0.09 0.37 -0.29 0.82 -0.67 0.00 0.00 178.83 178.97 2cug h ILE 62 N 0.58 0.33 0.10 2.54 2.04 -0.94 0.28 117.51 122.43 2cug h ILE 62 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2cug h ILE 62 Cb 0.07 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2cug h ILE 62 CO -0.12 0.00 -0.07 -1.28 0.00 0.00 0.00 178.15 176.68 2cug h SER 63 N -0.37 -0.19 -0.97 1.72 0.87 -1.22 -1.74 113.55 111.66 2cug h SER 63 Ca 0.10 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.79 2cug h SER 63 Cb 0.51 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.46 2cug h SER 63 CO -0.33 -0.12 0.62 0.11 -0.53 0.00 0.00 176.83 176.58 2cug h LYS 64 N -0.17 0.91 -0.40 2.24 1.79 -0.83 0.48 116.57 120.59 2cug h LYS 64 Ca -0.00 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2cug h LYS 64 Cb 0.16 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2cug h LYS 64 CO -0.01 0.60 0.14 0.00 -1.08 0.00 0.00 179.45 179.11 2cug h ALA 65 N 1.55 0.52 -0.44 3.86 0.00 0.01 -3.04 119.26 121.71 2cug h ALA 65 Ca 0.47 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2cug h ALA 65 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2cug h ALA 65 CO -0.24 0.14 0.00 -0.92 0.00 0.00 0.00 179.25 178.24 2cug h TYR 66 N 0.50 0.85 -0.96 0.00 3.20 -0.41 -3.15 116.97 116.99 2cug h TYR 66 Ca 0.13 -0.15 0.18 0.00 3.14 0.00 0.00 58.73 62.03 2cug h TYR 66 Cb 0.22 -0.22 -0.17 0.00 1.54 0.00 0.00 36.73 38.10 2cug h TYR 66 CO 0.00 0.83 -0.28 0.39 -1.64 0.00 0.00 178.16 177.46 2cug n GLU 67 N -4.39 -0.13 -0.09 1.82 1.02 0.06 0.74 120.64 119.67 2cug n GLU 67 Ca -0.00 1.50 -0.08 0.00 -0.02 0.00 0.00 57.16 58.56 2cug n GLU 67 Cb 0.30 -2.23 -0.02 0.00 -0.02 0.00 0.00 31.44 29.47 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 0.28 0.29 -3.67 2.04 -1.58 0.14 117.51 115.01 2cug h ILE 68 Ca 0.42 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.27 2cug h ILE 68 Cb 0.66 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2cug h ILE 68 CO -0.98 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 176.96 2cug h LEU 69 N -0.26 -0.33 -1.27 1.44 3.38 -0.55 0.51 115.31 118.22 2cug h LEU 69 Ca 0.16 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.44 2cug h LEU 69 Cb 0.52 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2cug h LEU 69 CO -0.48 -0.02 1.14 0.77 0.09 0.00 0.00 178.44 179.94 2cug h SER 70 N -0.83 0.00 -3.32 -0.43 4.64 0.36 -3.37 113.55 110.60 2cug h SER 70 Ca -0.04 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.71 2cug h SER 70 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 2cug h SER 70 CO 0.07 0.00 -0.06 0.21 -0.87 0.00 0.00 176.83 176.17 2cug s ASN 71 N -3.75 6.82 0.04 4.97 3.84 0.49 -4.99 114.94 122.37 2cug s ASN 71 Ca -0.03 0.98 -0.29 0.00 0.21 0.00 0.00 52.86 53.74 2cug s ASN 71 Cb 0.16 -2.33 -0.17 0.00 -0.55 0.00 0.00 41.25 38.35 2cug s ASN 71 CO 0.52 0.01 1.45 -0.08 -2.79 0.00 0.00 177.10 176.22 2cug h GLU 72 N 6.39 -0.62 0.03 0.43 4.81 -1.83 -1.17 114.58 122.61 2cug h GLU 72 Ca -0.42 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2cug h GLU 72 Cb 1.19 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2cug h GLU 72 CO 0.74 -0.35 -0.12 0.93 -0.73 0.00 0.00 179.01 179.48 2cug h GLU 73 N -0.80 -0.16 -0.41 1.92 4.39 -1.92 0.63 114.58 118.23 2cug h GLU 73 Ca -0.07 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2cug h GLU 73 Cb 0.56 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.17 2cug h GLU 73 CO 0.11 -0.11 -0.56 0.87 -1.16 0.00 0.00 179.01 178.16 2cug h LYS 74 N -0.17 -0.39 -0.91 2.33 1.57 -1.76 0.32 116.57 117.57 2cug h LYS 74 Ca -0.00 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 2cug h LYS 74 Cb 0.17 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 2cug h LYS 74 CO -0.06 -0.26 0.59 -0.09 -0.57 0.00 0.00 179.45 179.05 2cug h ARG 75 N -0.40 0.55 -0.17 3.15 2.43 0.43 -0.99 114.38 119.38 2cug h ARG 75 Ca 0.07 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2cug h ARG 75 Cb 0.60 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2cug h ARG 75 CO -0.60 0.36 -0.04 1.15 -1.51 0.00 0.00 179.97 179.33 2cug h THR 76 N 0.56 1.29 -0.18 0.20 2.02 0.35 -2.62 112.91 114.53 2cug h THR 76 Ca 0.47 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.66 2cug h THR 76 Cb 0.95 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2cug h THR 76 CO -0.21 0.30 0.05 0.78 0.37 0.00 0.00 175.52 176.81 2cug h ASN 77 N 0.02 0.05 -0.03 4.18 2.35 0.70 0.19 115.58 123.05 2cug h ASN 77 Ca 0.04 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2cug h ASN 77 Cb 0.48 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.82 2cug h ASN 77 CO 0.02 0.06 -0.26 0.22 -1.65 0.00 0.00 177.43 175.81 2cug h TYR 78 N 0.14 -0.70 0.38 1.19 5.03 -1.27 0.36 116.97 122.09 2cug h TYR 78 Ca 0.08 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 2cug h TYR 78 Cb 0.06 0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.66 2cug h TYR 78 CO -0.12 -0.35 -0.18 0.22 -1.32 0.00 0.00 178.16 176.41 2cug h ASP 79 N -0.39 -0.43 -0.98 -2.11 3.58 -1.28 -2.59 116.42 112.24 2cug h ASP 79 Ca 0.07 -0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.65 2cug h ASP 79 Cb 0.48 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.56 2cug h ASP 79 CO -0.25 -0.25 0.61 0.45 -2.88 0.00 0.00 179.24 176.92 2cug h HIS 80 N -0.57 1.01 0.00 0.28 3.86 -0.42 0.53 115.15 119.85 2cug h HIS 80 Ca -0.05 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2cug h HIS 80 Cb 0.43 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2cug h HIS 80 CO -0.03 0.33 0.00 0.98 0.86 0.00 0.00 177.93 180.06 2cug n TYR 81 N -4.65 0.78 -2.96 2.45 9.36 0.12 -4.88 117.16 117.39 2cug n TYR 81 Ca 0.20 0.32 -0.13 0.00 3.32 0.00 0.00 57.90 61.62 2cug n TYR 81 Cb 0.48 -1.02 0.04 0.00 -0.63 0.00 0.00 39.34 38.21 2cug n TYR 81 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2cug n GLY 82 N -0.19 0.12 3.43 2.98 0.00 0.19 -2.94 105.19 108.77 2cug n GLY 82 Ca 0.02 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2cug n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cug n SER 83 N -0.80 -5.68 -4.76 1.61 7.64 -1.06 -4.93 113.62 105.63 2cug n SER 83 Ca -0.02 -0.48 -0.37 0.00 1.01 0.00 0.00 58.87 59.01 2cug n SER 83 Cb 0.54 -4.54 0.01 0.00 -1.01 0.00 0.00 64.21 59.20 2cug n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cug s GLY 84 N -3.03 2.80 0.00 0.23 0.00 -1.15 -4.89 107.32 101.29 2cug s GLY 84 Ca 0.48 1.03 0.12 0.00 0.00 0.00 0.00 44.72 46.35 2cug s GLY 84 CO 0.60 1.50 1.12 -1.55 0.00 0.00 0.00 173.10 174.77 2cug n PRO 85 N -0.70 0.49 -3.09 2.90 -0.04 -1.26 -4.83 135.00 128.47 2cug n PRO 85 Ca 0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2cug n PRO 85 Cb 0.47 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 2cug n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cug n SER 86 N -0.87 -3.91 -0.01 3.54 2.88 -1.26 -4.85 113.62 109.14 2cug n SER 86 Ca 0.09 -0.35 0.03 0.00 -1.33 0.00 0.00 58.87 57.30 2cug n SER 86 Cb 0.04 -3.34 -0.13 0.00 -0.75 0.00 0.00 64.21 60.03 2cug n SER 86 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cug n SER 87 N -1.63 0.32 0.00 -3.46 3.41 -1.26 -5.17 113.62 105.83 2cug n SER 87 Ca -0.05 0.14 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 2cug n SER 87 Cb 0.56 1.08 0.21 0.00 -0.26 0.00 0.00 64.21 65.81 2cug n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49