#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 2.97 -0.07 1.61 0.15 -1.26 -4.98 113.70 112.12 2cug s SER 2 Ca 0.00 2.14 -0.09 0.00 0.70 0.00 0.00 55.95 58.70 2cug s SER 2 Cb 0.00 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.69 2cug s SER 2 CO 0.00 -3.06 0.35 -1.28 1.20 0.00 0.00 173.24 170.45 2cug h SER 3 N -1.84 -0.19 0.00 5.45 0.87 -2.13 -3.50 113.55 112.21 2cug h SER 3 Ca -0.44 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2cug h SER 3 Cb 1.27 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2cug h SER 3 CO 0.42 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 2cug n GLY 4 N 1.15 -0.85 3.47 5.77 0.00 -1.26 -5.13 105.19 108.34 2cug n GLY 4 Ca -0.04 0.32 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.00 2.76 0.09 1.61 1.04 -1.26 -5.17 113.70 108.78 2cug s SER 5 Ca 0.00 -1.31 0.04 0.00 0.48 0.00 0.00 55.95 55.16 2cug s SER 5 Cb 0.00 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2cug s SER 5 CO 0.00 -0.49 -0.11 -0.44 0.98 0.00 0.00 173.24 173.18 2cug s SER 6 N -3.51 1.53 0.18 7.02 0.01 -1.26 -5.16 113.70 112.52 2cug s SER 6 Ca 0.34 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.88 2cug s SER 6 Cb 0.07 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 2cug s SER 6 CO 0.15 -0.20 0.30 -0.83 0.41 0.00 0.00 173.24 173.06 2cug s GLY 7 N -2.25 1.56 -0.14 3.44 0.00 -1.26 -5.11 107.32 103.56 2cug s GLY 7 Ca 0.03 -1.10 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 2cug s GLY 7 CO 0.01 -1.11 -0.07 -0.42 0.00 0.00 0.00 173.10 171.51 2cug s ILE 8 N -1.82 1.14 0.04 0.90 1.09 -1.26 -5.03 121.20 116.26 2cug s ILE 8 Ca 0.34 -0.50 -0.26 0.00 -1.10 0.00 0.00 60.65 59.13 2cug s ILE 8 Cb -0.10 -1.21 -0.17 0.00 -1.06 0.00 0.00 42.46 39.91 2cug s ILE 8 CO 0.28 0.26 1.45 -0.07 -0.10 0.00 0.00 174.94 176.77 2cug h LEU 9 N 8.13 -0.33 -1.14 2.97 -0.00 -2.09 -3.47 115.31 119.39 2cug h LEU 9 Ca -0.28 -0.11 -0.41 0.00 -0.00 0.00 0.00 57.88 57.08 2cug h LEU 9 Cb 1.12 0.08 0.09 0.00 -0.00 0.00 0.00 40.66 41.96 2cug h LEU 9 CO 0.42 -0.07 -0.73 1.67 -0.00 0.00 0.00 178.44 179.72 2cug n GLN 10 N -5.17 -6.79 -4.25 1.13 -0.06 -1.26 -4.99 117.38 95.98 2cug n GLN 10 Ca -0.10 0.75 -0.34 0.00 -2.00 0.00 0.00 57.00 55.32 2cug n GLN 10 Cb 0.23 -5.71 -0.08 0.00 -4.06 0.00 0.00 30.24 20.61 2cug n GLN 10 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2cug s SER 11 N -3.64 5.37 0.00 1.69 1.04 -1.26 -4.99 113.70 111.91 2cug s SER 11 Ca 0.43 0.12 0.27 0.00 0.48 0.00 0.00 55.95 57.24 2cug s SER 11 Cb -0.20 -1.50 1.35 0.00 0.10 0.00 0.00 66.02 65.77 2cug s SER 11 CO 0.76 0.33 1.91 0.00 0.98 0.00 0.00 173.24 177.22 2cug n LEU 12 N 1.69 0.00 -0.20 2.42 -0.00 -1.26 -3.60 117.00 116.04 2cug n LEU 12 Ca -0.16 0.28 -0.04 0.00 -0.00 0.00 0.00 56.01 56.09 2cug n LEU 12 Cb 0.53 -0.28 0.07 0.00 -0.00 0.00 0.00 43.42 43.74 2cug n LEU 12 CO 0.32 -0.03 1.07 0.77 -0.00 0.00 0.00 177.39 179.52 2cug h SER 13 N 0.00 0.51 -4.18 1.45 4.64 -1.97 -3.43 113.55 110.56 2cug h SER 13 Ca 0.00 0.02 -0.49 0.00 -0.47 0.00 0.00 61.79 60.85 2cug h SER 13 Cb 0.25 -0.08 0.14 0.00 -0.31 0.00 0.00 62.40 62.39 2cug h SER 13 CO 0.00 0.35 0.29 0.00 -0.87 0.00 0.00 176.83 176.59 2cug s ALA 14 N -6.12 1.89 1.14 5.18 0.00 -1.24 -5.02 121.76 117.60 2cug s ALA 14 Ca -0.13 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 2cug s ALA 14 Cb 0.14 -3.20 0.27 0.00 0.00 0.00 0.00 23.12 20.34 2cug s ALA 14 CO 0.75 -2.05 1.04 -0.48 0.00 0.00 0.00 175.76 175.01 2cug s LEU 15 N -6.04 0.93 0.13 0.00 2.34 -1.26 -4.87 118.68 109.91 2cug s LEU 15 Ca 0.62 1.45 -0.22 0.00 0.06 0.00 0.00 54.13 56.04 2cug s LEU 15 Cb -0.17 -3.40 -0.01 0.00 -0.56 0.00 0.00 46.19 42.05 2cug s LEU 15 CO 0.56 -4.06 1.21 0.47 -1.06 0.00 0.00 176.35 173.47 2cug n ASP 16 N -4.82 -0.77 -4.01 1.48 8.00 -1.26 -4.59 116.55 110.58 2cug n ASP 16 Ca 0.03 1.39 -0.08 0.00 0.71 0.00 0.00 54.79 56.84 2cug n ASP 16 Cb 0.55 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 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 -5.45 0.35 -0.07 1.24 -0.12 -1.26 -5.16 117.98 107.51 2cug s PHE 17 Ca -0.10 -0.74 -0.10 0.00 -0.05 0.00 0.00 56.93 55.95 2cug s PHE 17 Cb 0.10 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 2cug s PHE 17 CO 0.50 -0.30 0.24 0.34 -0.05 0.00 0.00 175.22 175.95 2cug s ASP 18 N -2.15 6.54 0.09 1.98 -1.08 -1.26 -5.01 116.67 115.78 2cug s ASP 18 Ca -0.05 0.64 -0.15 0.00 -0.52 0.00 0.00 52.55 52.47 2cug s ASP 18 Cb -0.01 -2.13 -0.09 0.00 -1.46 0.00 0.00 42.92 39.22 2cug s ASP 18 CO -0.05 0.37 1.41 1.55 0.52 0.00 0.00 175.17 178.97 2cug h PRO 19 N 4.82 0.67 -0.48 4.34 0.13 -1.96 -2.08 132.00 137.43 2cug h PRO 19 Ca -0.54 -0.35 -0.05 0.00 -0.87 0.00 0.00 66.00 64.19 2cug h PRO 19 Cb 1.22 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2cug h PRO 19 CO 0.60 0.96 0.12 1.88 -0.23 0.00 0.00 178.00 181.33 2cug h TYR 20 N 0.40 0.81 -0.30 1.56 -1.99 -1.91 -2.00 116.97 113.54 2cug h TYR 20 Ca 0.04 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2cug h TYR 20 Cb 0.84 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 2cug h TYR 20 CO 0.07 0.73 0.09 0.00 -0.00 0.00 0.00 178.16 179.05 2cug h ARG 21 N 0.65 0.47 0.59 4.88 2.47 -1.82 0.56 114.38 122.18 2cug h ARG 21 Ca 0.15 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 2cug h ARG 21 Cb 0.33 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2cug h ARG 21 CO 0.00 0.53 -0.40 0.28 0.56 0.00 0.00 179.97 180.94 2cug h VAL 22 N 0.33 0.00 -0.56 2.04 2.07 -1.27 -3.10 116.25 115.75 2cug h VAL 22 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2cug h VAL 22 Cb 0.26 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2cug h VAL 22 CO -0.00 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.77 2cug h LEU 23 N -0.93 0.75 -0.08 2.57 3.38 -1.41 -3.48 115.31 116.11 2cug h LEU 23 Ca -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2cug h LEU 23 Cb 0.76 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2cug h LEU 23 CO 0.05 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2cug n GLY 24 N -0.89 0.70 3.62 0.83 0.00 0.18 -4.91 105.19 104.74 2cug n GLY 24 Ca 0.03 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.49 1.88 0.49 1.61 -7.23 -0.54 -5.03 120.40 110.08 2cug s VAL 25 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2cug s VAL 25 Cb 0.00 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 2cug s VAL 25 CO 0.00 0.00 0.02 -0.44 -0.31 0.00 0.00 175.10 174.37 2cug s SER 26 N -3.71 3.88 0.13 4.85 0.01 -1.26 -4.66 113.70 112.93 2cug s SER 26 Ca 0.32 -1.64 -0.32 0.00 1.31 0.00 0.00 55.95 55.62 2cug s SER 26 Cb 0.09 0.47 -0.09 0.00 0.21 0.00 0.00 66.02 66.70 2cug s SER 26 CO 0.16 -0.85 1.56 0.03 0.41 0.00 0.00 173.24 174.56 2cug h ARG 27 N 1.45 -0.50 -0.53 12.44 2.47 -2.02 0.33 114.38 128.02 2cug h ARG 27 Ca -0.42 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 58.48 2cug h ARG 27 Cb 1.30 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.72 2cug h ARG 27 CO 0.71 -0.33 0.77 0.00 0.56 0.00 0.00 179.97 181.68 2cug h THR 28 N -0.52 0.14 -2.75 2.04 1.03 -2.06 -3.38 112.91 107.40 2cug h THR 28 Ca 0.06 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.90 2cug h THR 28 Cb 0.65 0.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.05 2cug h THR 28 CO -0.46 0.00 1.01 0.00 -0.01 0.00 0.00 175.52 176.06 2cug s ALA 29 N -4.40 3.61 0.47 0.00 0.00 0.11 -5.00 121.76 116.55 2cug s ALA 29 Ca -0.03 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2cug s ALA 29 Cb 0.12 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2cug s ALA 29 CO 0.42 -1.36 0.27 -1.12 0.00 0.00 0.00 175.76 173.97 2cug s SER 30 N 2.85 4.55 0.26 0.00 0.01 -1.26 -4.82 113.70 115.28 2cug s SER 30 Ca 0.65 -1.16 0.12 0.00 1.31 0.00 0.00 55.95 56.88 2cug s SER 30 Cb -0.28 -0.06 0.89 0.00 0.21 0.00 0.00 66.02 66.78 2cug s SER 30 CO 0.23 -0.79 1.13 1.67 0.41 0.00 0.00 173.24 175.89 2cug n GLN 31 N -1.47 -0.05 0.27 12.44 -0.06 -1.26 -0.01 117.38 127.24 2cug n GLN 31 Ca -0.03 1.00 -0.11 0.00 -2.00 0.00 0.00 57.00 55.87 2cug n GLN 31 Cb 0.64 -1.76 -0.05 0.00 -4.06 0.00 0.00 30.24 25.01 2cug n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2cug h ALA 32 N 1.43 -1.15 -0.87 1.69 0.00 -1.99 -0.87 119.26 117.50 2cug h ALA 32 Ca 0.58 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.40 2cug h ALA 32 Cb 1.48 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 2cug h ALA 32 CO -0.57 -1.11 0.53 0.22 0.00 0.00 0.00 179.25 178.32 2cug h ASP 33 N -0.71 0.83 0.16 0.00 1.82 -0.80 -2.54 116.42 115.20 2cug h ASP 33 Ca -0.07 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2cug h ASP 33 Cb 0.55 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2cug h ASP 33 CO 0.09 0.53 -0.20 0.40 -1.61 0.00 0.00 179.24 178.45 2cug h ILE 34 N 0.97 0.00 -0.72 2.25 2.04 -0.59 0.28 117.51 121.73 2cug h ILE 34 Ca 0.38 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.37 2cug h ILE 34 Cb 0.19 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.14 2cug h ILE 34 CO -0.18 0.00 -0.31 0.50 0.00 0.00 0.00 178.15 178.16 2cug h LYS 35 N -0.37 -0.09 -0.81 2.37 3.64 -1.05 0.54 116.57 120.80 2cug h LYS 35 Ca -0.02 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2cug h LYS 35 Cb 0.34 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 2cug h LYS 35 CO -0.05 -0.06 0.53 0.87 -2.27 0.00 0.00 179.45 178.48 2cug h LYS 36 N -0.09 0.92 -0.34 1.90 1.57 -1.26 -2.11 116.57 117.17 2cug h LYS 36 Ca 0.29 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2cug h LYS 36 Cb 0.57 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2cug h LYS 36 CO -0.77 0.61 -0.07 0.00 -0.57 0.00 0.00 179.45 178.64 2cug h ALA 37 N 1.54 0.47 0.69 3.86 0.00 0.37 -3.12 119.26 123.07 2cug h ALA 37 Ca 0.34 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2cug h ALA 37 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2cug h ALA 37 CO -0.11 0.30 -0.48 -0.92 0.00 0.00 0.00 179.25 178.04 2cug h TYR 38 N 0.44 -1.29 -0.98 0.00 3.20 0.04 -2.63 116.97 115.74 2cug h TYR 38 Ca 0.09 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.13 2cug h TYR 38 Cb 0.57 0.47 -0.17 0.00 1.54 0.00 0.00 36.73 39.14 2cug h TYR 38 CO 0.05 -0.69 -0.32 0.87 -1.64 0.00 0.00 178.16 176.43 2cug h LYS 39 N -1.11 -0.00 -0.07 1.82 6.56 -1.48 0.17 116.57 122.46 2cug h LYS 39 Ca -0.09 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.54 2cug h LYS 39 Cb 0.91 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.51 2cug h LYS 39 CO 0.06 -0.00 -0.41 -0.22 -2.06 0.00 0.00 179.45 176.81 2cug h LYS 40 N -0.00 -0.51 0.67 3.15 3.64 -1.44 0.38 116.57 122.45 2cug h LYS 40 Ca 0.41 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 2cug h LYS 40 Cb 0.66 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2cug h LYS 40 CO -1.00 -0.34 -0.50 -0.07 -2.27 0.00 0.00 179.45 175.28 2cug h LEU 41 N -0.52 -1.30 -1.03 5.20 3.38 -0.44 -0.67 115.31 119.92 2cug h LEU 41 Ca 0.06 0.09 0.23 0.00 0.09 0.00 0.00 57.88 58.35 2cug h LEU 41 Cb 0.63 0.40 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 2cug h LEU 41 CO -0.35 -0.72 0.60 0.00 0.09 0.00 0.00 178.44 178.06 2cug h ALA 42 N -1.01 1.80 -0.43 1.53 0.00 -0.60 0.35 119.26 120.89 2cug h ALA 42 Ca -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2cug h ALA 42 Cb 0.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2cug h ALA 42 CO 0.03 -0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.14 2cug h ARG 43 N 0.61 0.68 0.40 0.00 3.08 0.24 0.53 114.38 119.93 2cug h ARG 43 Ca 0.63 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 2cug h ARG 43 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2cug h ARG 43 CO -0.44 0.70 -0.19 0.93 -1.07 0.00 0.00 179.97 179.90 2cug h GLU 44 N 0.55 -0.52 -0.15 0.04 5.08 0.69 -3.11 114.58 117.17 2cug h GLU 44 Ca 0.13 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2cug h GLU 44 Cb 0.33 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cug h GLU 44 CO 0.00 -0.24 0.00 0.91 -1.00 0.00 0.00 179.01 178.69 2cug n TRP 45 N -5.15 0.00 -1.60 4.33 7.02 0.97 -4.87 117.44 118.14 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 0.27 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.08 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 -0.42 1.99 0.37 -5.99 -0.00 0.19 -4.44 115.22 106.92 2cug n HIS 46 Ca 0.00 0.23 0.13 0.00 0.46 0.00 0.00 57.72 58.54 2cug n HIS 46 Cb 0.04 -2.57 0.53 0.00 -0.12 0.00 0.00 29.99 27.87 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 10.06 0.00 -0.30 1.57 0.13 -1.87 -0.51 132.00 141.08 2cug h PRO 47 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 2cug h PRO 47 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2cug h PRO 47 CO 0.98 0.00 -0.46 -0.44 -0.23 0.00 0.00 178.00 177.85 2cug h ASP 48 N 0.00 0.86 0.14 1.44 5.19 -1.94 -3.30 116.42 118.81 2cug h ASP 48 Ca 0.00 -0.42 -0.35 0.00 -0.62 0.00 0.00 57.03 55.64 2cug h ASP 48 Cb 0.38 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.58 2cug h ASP 48 CO 0.00 1.18 -2.20 0.29 -3.12 0.00 0.00 179.24 175.39 2cug n LYS 49 N -4.02 0.67 -2.25 3.56 5.02 -1.12 -4.94 118.16 115.08 2cug n LYS 49 Ca -0.03 0.08 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 2cug n LYS 49 Cb 0.57 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2cug n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2cug s ASN 50 N -5.68 6.92 -0.08 4.39 0.01 -0.21 -4.94 114.94 115.34 2cug s ASN 50 Ca -0.09 2.51 0.04 0.00 -0.71 0.00 0.00 52.86 54.61 2cug s ASN 50 Cb 0.07 -2.64 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 2cug s ASN 50 CO 0.83 -0.42 -0.03 1.17 -1.51 0.00 0.00 177.10 177.14 2cug n LYS 51 N 0.86 1.56 -1.69 -0.60 3.00 -1.26 -4.81 118.16 115.22 2cug n LYS 51 Ca 0.00 0.02 -0.44 0.00 -0.00 0.00 0.00 58.31 57.90 2cug n LYS 51 Cb 0.43 -1.18 -0.02 0.00 0.00 0.00 0.00 35.03 34.26 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 -2.51 2.91 -4.57 3.14 8.00 -1.26 -4.87 116.55 117.38 2cug n ASP 52 Ca -0.14 1.16 -0.41 0.00 0.71 0.00 0.00 54.79 56.12 2cug n ASP 52 Cb 0.70 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.31 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 -0.81 2.98 0.00 -0.24 0.04 -1.26 -3.27 135.00 132.44 2cug s PRO 53 Ca 0.64 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2cug s PRO 53 Cb -0.61 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2cug s PRO 53 CO 0.53 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2cug n GLY 54 N 5.53 3.71 0.30 0.56 0.00 -1.26 -4.99 105.19 109.05 2cug n GLY 54 Ca 0.21 -0.55 0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 0.68 0.23 4.61 0.00 -1.20 0.03 120.51 124.86 2cug n ALA 55 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 53.44 54.23 2cug n ALA 55 Cb 0.00 -0.81 -0.08 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 -0.79 -0.74 0.00 4.81 -1.84 -1.78 114.58 114.25 2cug h GLU 56 Ca 0.65 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 60.08 2cug h GLU 56 Cb 1.55 0.18 -0.14 0.00 0.63 0.00 0.00 28.75 30.98 2cug h GLU 56 CO -0.78 -0.53 -0.21 -0.25 -0.73 0.00 0.00 179.01 176.51 2cug n ASP 57 N -5.50 -0.32 0.05 1.04 9.92 0.10 0.62 116.55 122.46 2cug n ASP 57 Ca -0.10 1.28 -0.13 0.00 -0.53 0.00 0.00 54.79 55.31 2cug n ASP 57 Cb 0.40 -0.36 -0.09 0.00 -0.64 0.00 0.00 41.12 40.43 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2cug h ARG 58 N 0.00 -0.10 -0.85 -1.24 9.65 -1.44 -3.09 114.38 117.31 2cug h ARG 58 Ca 0.33 0.01 0.22 0.00 -1.10 0.00 0.00 59.98 59.43 2cug h ARG 58 Cb 0.52 0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 28.98 2cug h ARG 58 CO -0.75 0.20 0.20 0.35 2.80 0.00 0.00 179.97 182.76 2cug h PHE 59 N -0.41 0.29 -0.55 2.20 3.57 0.11 0.22 116.94 122.36 2cug h PHE 59 Ca -0.01 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2cug h PHE 59 Cb 0.35 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2cug h PHE 59 CO 0.03 -0.20 0.26 0.82 -2.23 0.00 0.00 178.31 176.99 2cug h ILE 60 N 0.21 0.91 -0.26 1.41 2.04 -0.93 -2.21 117.51 118.67 2cug h ILE 60 Ca 0.51 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 2cug h ILE 60 Cb 1.00 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2cug h ILE 60 CO -0.64 0.09 0.13 1.56 0.00 0.00 0.00 178.15 179.29 2cug h GLN 61 N 0.50 0.38 -0.27 2.37 4.20 -0.56 -1.99 115.11 119.74 2cug h GLN 61 Ca 0.25 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.97 2cug h GLN 61 Cb 0.20 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2cug h GLN 61 CO -0.19 0.37 -0.28 0.82 -0.67 0.00 0.00 178.83 178.88 2cug h ILE 62 N 0.29 0.33 -0.39 2.54 2.04 -0.76 0.17 117.51 121.72 2cug h ILE 62 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 2cug h ILE 62 Cb 0.12 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2cug h ILE 62 CO -0.01 0.00 0.21 -1.28 0.00 0.00 0.00 178.15 177.07 2cug h SER 63 N -0.27 0.33 -0.79 1.72 0.87 -1.32 -1.47 113.55 112.61 2cug h SER 63 Ca 0.14 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2cug h SER 63 Cb 0.50 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 2cug h SER 63 CO -0.42 0.24 0.49 0.11 -0.53 0.00 0.00 176.83 176.71 2cug h LYS 64 N 0.43 0.88 0.61 2.24 1.79 -0.55 0.21 116.57 122.18 2cug h LYS 64 Ca 0.16 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2cug h LYS 64 Cb 0.04 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2cug h LYS 64 CO -0.09 0.58 -0.29 0.00 -1.08 0.00 0.00 179.45 178.57 2cug h ALA 65 N 1.37 -0.82 -0.37 3.86 0.00 -0.16 -3.16 119.26 119.97 2cug h ALA 65 Ca 0.34 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2cug h ALA 65 Cb 0.13 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2cug h ALA 65 CO -0.16 -0.91 0.18 -0.92 0.00 0.00 0.00 179.25 177.45 2cug h TYR 66 N -0.93 0.33 -0.92 0.00 3.20 -1.09 -2.56 116.97 115.00 2cug h TYR 66 Ca -0.08 0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.05 2cug h TYR 66 Cb 0.66 -0.09 -0.17 0.00 1.54 0.00 0.00 36.73 38.67 2cug h TYR 66 CO -0.01 0.17 0.02 0.39 -1.64 0.00 0.00 178.16 177.09 2cug n GLU 67 N -4.94 -0.07 0.12 1.82 -0.58 0.71 0.96 120.64 118.65 2cug n GLU 67 Ca 0.01 1.37 -0.13 0.00 -0.42 0.00 0.00 57.16 58.00 2cug n GLU 67 Cb 0.10 -2.18 -0.06 0.00 -0.57 0.00 0.00 31.44 28.72 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 0.57 0.33 -3.67 2.04 -1.43 -1.97 117.51 113.38 2cug h ILE 68 Ca 0.56 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.40 2cug h ILE 68 Cb 1.15 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2cug h ILE 68 CO -0.86 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.06 2cug h LEU 69 N -0.39 -0.38 -0.72 1.44 3.38 -0.11 0.55 115.31 119.08 2cug h LEU 69 Ca 0.02 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.18 2cug h LEU 69 Cb 0.39 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 2cug h LEU 69 CO -0.08 -0.04 -0.05 -0.24 0.09 0.00 0.00 178.44 178.12 2cug n SER 70 N -4.47 -0.14 -4.73 -0.43 2.88 0.27 -4.12 113.62 102.87 2cug n SER 70 Ca -0.06 1.23 -0.41 0.00 -1.33 0.00 0.00 58.87 58.30 2cug n SER 70 Cb 0.18 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.17 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 -5.07 7.48 0.04 -3.46 3.84 -0.74 -4.98 114.94 112.04 2cug s ASN 71 Ca -0.10 1.86 -0.31 0.00 0.21 0.00 0.00 52.86 54.52 2cug s ASN 71 Cb 0.21 -2.59 -0.18 0.00 -0.55 0.00 0.00 41.25 38.14 2cug s ASN 71 CO 0.56 -0.07 1.34 -0.33 -2.79 0.00 0.00 177.10 175.81 2cug h GLU 72 N 5.36 -1.03 -0.06 0.43 4.39 -1.84 -2.11 114.58 119.73 2cug h GLU 72 Ca -0.43 0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.35 2cug h GLU 72 Cb 1.21 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 2cug h GLU 72 CO 0.72 -0.67 -0.11 0.93 -1.16 0.00 0.00 179.01 178.71 2cug h GLU 73 N -1.23 -0.10 -0.76 2.33 5.08 -1.92 -0.78 114.58 117.20 2cug h GLU 73 Ca -0.11 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2cug h GLU 73 Cb 0.83 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.00 2cug h GLU 73 CO 0.18 -0.06 -0.55 0.87 -1.00 0.00 0.00 179.01 178.45 2cug h LYS 74 N -0.10 -0.12 -0.73 2.33 1.57 -1.76 0.10 116.57 117.86 2cug h LYS 74 Ca 0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 2cug h LYS 74 Cb 0.13 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.35 2cug h LYS 74 CO -0.11 -0.08 -0.46 -0.09 -0.57 0.00 0.00 179.45 178.14 2cug h ARG 75 N -0.12 -0.15 -0.14 3.15 2.43 0.84 0.26 114.38 120.65 2cug h ARG 75 Ca 0.12 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2cug h ARG 75 Cb 0.44 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 2cug h ARG 75 CO -0.78 -0.10 -0.24 1.15 -1.51 0.00 0.00 179.97 178.50 2cug h THR 76 N -0.15 0.43 0.43 0.20 2.02 0.39 0.11 112.91 116.33 2cug h THR 76 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 2cug h THR 76 Cb 0.54 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2cug h THR 76 CO -0.79 0.00 -0.47 0.78 0.37 0.00 0.00 175.52 175.41 2cug h ASN 77 N -0.30 -1.32 -0.13 4.18 2.35 0.57 0.34 115.58 121.27 2cug h ASN 77 Ca 0.10 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.00 2cug h ASN 77 Cb 0.45 0.44 -0.07 0.00 0.05 0.00 0.00 38.32 39.20 2cug h ASN 77 CO -0.31 -0.61 -0.48 0.22 -1.65 0.00 0.00 177.43 174.60 2cug h TYR 78 N -0.91 -1.40 -0.78 1.19 3.20 -0.38 -1.02 116.97 116.87 2cug h TYR 78 Ca -0.05 0.05 0.12 0.00 3.14 0.00 0.00 58.73 61.99 2cug h TYR 78 Cb 0.80 0.63 -0.08 0.00 1.54 0.00 0.00 36.73 39.62 2cug h TYR 78 CO -0.27 -0.51 0.38 0.22 -1.64 0.00 0.00 178.16 176.34 2cug h ASP 79 N -0.54 0.47 -0.40 -2.11 3.58 -0.67 0.05 116.42 116.79 2cug h ASP 79 Ca 0.06 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.67 2cug h ASP 79 Cb 0.66 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.64 2cug h ASP 79 CO -0.42 0.23 -0.11 -0.74 -2.88 0.00 0.00 179.24 175.32 2cug h HIS 80 N 0.60 -0.24 0.00 0.28 2.76 0.95 0.71 115.15 120.21 2cug h HIS 80 Ca 0.40 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.59 2cug h HIS 80 Cb 0.51 0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 2cug h HIS 80 CO -0.11 -0.18 -0.11 1.88 -1.30 0.00 0.00 177.93 178.10 2cug h TYR 81 N -0.01 0.00 -4.47 5.26 0.05 -0.47 -3.47 116.97 113.86 2cug h TYR 81 Ca 0.19 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.62 2cug h TYR 81 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2cug h TYR 81 CO -0.36 0.11 -0.50 0.41 -1.05 0.00 0.00 178.16 176.76 2cug n GLY 82 N 0.29 -0.50 0.41 3.88 0.00 0.24 -4.85 105.19 104.66 2cug n GLY 82 Ca 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.20 -0.93 -3.86 1.61 2.88 -1.25 -3.04 113.62 106.83 2cug n SER 83 Ca -0.10 1.76 0.00 0.00 -1.33 0.00 0.00 58.87 59.19 2cug n SER 83 Cb 0.60 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.31 -3.22 0.00 0.46 0.00 -1.26 -4.50 105.19 95.36 2cug n GLY 84 Ca 0.04 -1.09 0.06 0.00 0.00 0.00 0.00 46.02 45.03 2cug n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cug n PRO 85 N 0.00 0.49 -0.16 1.61 -0.04 -1.26 -3.57 135.00 132.06 2cug n PRO 85 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2cug n PRO 85 Cb 0.00 -1.36 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 2cug n PRO 85 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cug h SER 86 N 0.00 0.16 -4.41 3.54 0.87 -1.85 -3.43 113.55 108.43 2cug h SER 86 Ca 0.00 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 2cug h SER 86 Cb 0.00 0.05 -0.23 0.00 -0.44 0.00 0.00 62.40 61.78 2cug h SER 86 CO 0.00 0.12 -0.47 -0.44 -0.53 0.00 0.00 176.83 175.51 2cug s SER 87 N -5.38 -0.10 0.00 6.23 0.01 -1.17 -5.04 113.70 108.25 2cug s SER 87 Ca -0.13 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2cug s SER 87 Cb 0.15 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2cug s SER 87 CO 0.73 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.76