#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 5.59 0.02 1.61 0.01 -1.26 -5.04 113.70 114.64 2cug s SER 2 Ca 0.00 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 56.69 2cug s SER 2 Cb 0.00 -0.71 -0.16 0.00 0.21 0.00 0.00 66.02 65.36 2cug s SER 2 CO 0.00 -0.83 1.39 0.77 0.41 0.00 0.00 173.24 174.98 2cug h SER 3 N 0.53 0.15 -2.68 2.44 4.64 -2.14 -3.49 113.55 113.00 2cug h SER 3 Ca -0.40 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 2cug h SER 3 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2cug h SER 3 CO 0.46 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 2cug n GLY 4 N -0.06 -1.33 3.93 -0.77 0.00 -1.26 -5.08 105.19 100.62 2cug n GLY 4 Ca -0.07 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.54 4.62 -0.17 1.61 0.01 -1.26 -5.10 113.70 112.88 2cug s SER 5 Ca 0.00 0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.60 2cug s SER 5 Cb 0.00 -0.95 0.07 0.00 0.21 0.00 0.00 66.02 65.35 2cug s SER 5 CO 0.00 -1.72 0.14 -0.44 0.41 0.00 0.00 173.24 171.62 2cug s SER 6 N -4.57 1.86 -0.34 2.44 0.01 -1.26 -5.01 113.70 106.83 2cug s SER 6 Ca 0.62 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.53 2cug s SER 6 Cb -0.10 0.00 0.19 0.00 0.21 0.00 0.00 66.02 66.33 2cug s SER 6 CO 0.45 -0.33 1.19 0.61 0.41 0.00 0.00 173.24 175.57 2cug n GLY 7 N 5.30 -0.37 3.00 3.44 0.00 -1.26 -5.13 105.19 110.17 2cug n GLY 7 Ca -0.06 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 0.08 1.50 0.82 -0.61 1.01 -1.26 -5.12 121.20 117.63 2cug s ILE 8 Ca 0.11 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 2cug s ILE 8 Cb 0.19 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 2cug s ILE 8 CO -0.07 0.38 0.50 0.00 0.00 0.00 0.00 174.94 175.76 2cug n LEU 9 N 4.78 0.53 -4.62 2.97 -0.00 -1.26 -4.87 117.00 114.53 2cug n LEU 9 Ca -0.16 0.48 -0.43 0.00 -0.00 0.00 0.00 56.01 55.90 2cug n LEU 9 Cb 0.49 -1.22 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 2cug n LEU 9 CO 0.20 -3.28 1.09 0.00 -0.00 0.00 0.00 177.39 175.41 2cug s GLN 10 N -3.18 3.87 -0.14 1.47 -2.07 -1.26 -4.90 119.66 113.45 2cug s GLN 10 Ca 0.62 1.05 -0.12 0.00 -1.82 0.00 0.00 55.36 55.09 2cug s GLN 10 Cb -0.29 -3.87 -0.04 0.00 -1.09 0.00 0.00 33.01 27.72 2cug s GLN 10 CO 0.62 -1.18 -0.22 0.45 -1.32 0.00 0.00 175.29 173.63 2cug n SER 11 N 7.66 1.57 -0.30 12.60 2.88 -1.26 -4.50 113.62 132.27 2cug n SER 11 Ca 0.14 0.42 0.03 0.00 -1.33 0.00 0.00 58.87 58.13 2cug n SER 11 Cb 0.47 -0.75 0.09 0.00 -0.75 0.00 0.00 64.21 63.27 2cug n SER 11 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cug n LEU 12 N -4.19 -0.37 -4.66 2.46 4.32 -1.26 -4.03 117.00 109.27 2cug n LEU 12 Ca -0.09 1.42 -0.43 0.00 -0.02 0.00 0.00 56.01 56.89 2cug n LEU 12 Cb 0.33 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 41.71 2cug n LEU 12 CO 0.13 -1.33 1.21 -0.44 -1.22 0.00 0.00 177.39 175.75 2cug s SER 13 N -5.24 6.78 -0.08 -1.43 0.01 -1.26 -4.88 113.70 107.61 2cug s SER 13 Ca -0.12 1.86 -0.07 0.00 1.31 0.00 0.00 55.95 58.93 2cug s SER 13 Cb 0.20 -2.54 -0.28 0.00 0.21 0.00 0.00 66.02 63.62 2cug s SER 13 CO 0.62 -0.88 0.55 0.00 0.41 0.00 0.00 173.24 173.94 2cug h ALA 14 N 8.96 0.32 -1.86 1.44 0.00 -1.90 -3.48 119.26 122.74 2cug h ALA 14 Ca -0.32 -1.27 -0.45 0.00 0.00 0.00 0.00 54.91 52.88 2cug h ALA 14 Cb 1.13 0.56 0.06 0.00 0.00 0.00 0.00 17.79 19.54 2cug h ALA 14 CO 0.97 1.19 0.04 -0.48 0.00 0.00 0.00 179.25 180.98 2cug s LEU 15 N -7.10 3.13 0.23 0.00 2.34 -1.26 -4.98 118.68 111.05 2cug s LEU 15 Ca -0.18 0.03 -0.16 0.00 0.06 0.00 0.00 54.13 53.88 2cug s LEU 15 Cb 0.06 -2.78 0.26 0.00 -0.56 0.00 0.00 46.19 43.17 2cug s LEU 15 CO 0.81 -1.35 1.52 0.47 -1.06 0.00 0.00 176.35 176.74 2cug n ASP 16 N -2.54 -0.60 -3.95 1.48 9.92 -1.26 -4.51 116.55 115.09 2cug n ASP 16 Ca 0.09 1.71 -0.12 0.00 -0.53 0.00 0.00 54.79 55.94 2cug n ASP 16 Cb 0.60 -0.41 -0.13 0.00 -0.64 0.00 0.00 41.12 40.54 2cug n ASP 16 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2cug s PHE 17 N -5.96 0.26 0.04 1.24 -0.12 -1.26 -5.11 117.98 107.07 2cug s PHE 17 Ca -0.14 -0.24 -0.19 0.00 -0.05 0.00 0.00 56.93 56.32 2cug s PHE 17 Cb 0.21 -0.17 -0.06 0.00 -0.63 0.00 0.00 43.02 42.37 2cug s PHE 17 CO 0.71 -0.07 0.56 0.34 -0.05 0.00 0.00 175.22 176.71 2cug s ASP 18 N -0.65 7.00 0.19 1.98 -1.08 -1.26 -4.99 116.67 117.86 2cug s ASP 18 Ca -0.05 1.19 -0.05 0.00 -0.52 0.00 0.00 52.55 53.12 2cug s ASP 18 Cb -0.05 -2.35 0.11 0.00 -1.46 0.00 0.00 42.92 39.18 2cug s ASP 18 CO -0.00 0.23 1.54 1.55 0.52 0.00 0.00 175.17 179.01 2cug h PRO 19 N 4.91 0.70 -0.30 4.34 0.13 -1.97 -1.90 132.00 137.91 2cug h PRO 19 Ca -0.48 -0.37 -0.15 0.00 -0.87 0.00 0.00 66.00 64.13 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 0.65 0.98 -0.42 1.88 -0.23 0.00 0.00 178.00 180.86 2cug h TYR 20 N 0.57 0.91 -0.11 1.56 -1.99 -1.90 -2.76 116.97 113.25 2cug h TYR 20 Ca 0.04 -0.28 -0.04 0.00 2.00 0.00 0.00 58.73 60.45 2cug h TYR 20 Cb 0.95 -0.19 -0.00 0.00 2.00 0.00 0.00 36.73 39.49 2cug h TYR 20 CO 0.05 1.05 -0.10 0.00 -0.00 0.00 0.00 178.16 179.16 2cug h ARG 21 N 0.61 0.26 0.16 4.88 2.47 -1.79 -0.17 114.38 120.80 2cug h ARG 21 Ca 0.04 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2cug h ARG 21 Cb 0.98 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 2cug h ARG 21 CO 0.09 0.66 -0.40 0.28 0.56 0.00 0.00 179.97 181.16 2cug h VAL 22 N -0.14 0.19 0.00 2.04 2.07 -1.36 -1.22 116.25 117.83 2cug h VAL 22 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2cug h VAL 22 Cb 0.61 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2cug h VAL 22 CO 0.03 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.46 2cug h LEU 23 N -0.66 0.00 -1.13 2.57 3.38 -1.57 -3.47 115.31 114.43 2cug h LEU 23 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2cug h LEU 23 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2cug h LEU 23 CO -0.21 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.01 2cug n GLY 24 N -1.16 0.70 3.68 0.83 0.00 -0.46 -4.81 105.19 103.97 2cug n GLY 24 Ca -0.03 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.60 1.16 0.53 1.61 -7.23 -0.16 -5.03 120.40 108.68 2cug s VAL 25 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2cug s VAL 25 Cb 0.00 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2cug s VAL 25 CO 0.00 0.00 0.31 -0.55 -0.31 0.00 0.00 175.10 174.55 2cug s SER 26 N -3.78 4.53 0.44 4.85 0.15 -1.26 -4.58 113.70 114.04 2cug s SER 26 Ca 0.15 -1.33 0.14 0.00 0.70 0.00 0.00 55.95 55.61 2cug s SER 26 Cb 0.03 0.41 0.98 0.00 -1.71 0.00 0.00 66.02 65.74 2cug s SER 26 CO 0.08 -1.04 1.99 0.03 1.20 0.00 0.00 173.24 175.50 2cug h ARG 27 N 0.89 0.02 0.00 5.44 3.08 -2.02 -1.18 114.38 120.61 2cug h ARG 27 Ca -0.38 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2cug h ARG 27 Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2cug h ARG 27 CO 0.61 0.20 0.00 0.25 -1.07 0.00 0.00 179.97 179.96 2cug n THR 28 N -4.32 0.76 -1.68 2.04 -2.24 -1.26 -4.80 114.28 102.79 2cug n THR 28 Ca -0.02 0.10 -0.46 0.00 -2.27 0.00 0.00 64.05 61.40 2cug n THR 28 Cb 0.24 -1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 67.43 2cug n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cug n ALA 29 N -1.77 1.41 -2.77 6.98 0.00 -0.45 -4.98 120.51 118.93 2cug n ALA 29 Ca 0.03 0.38 -0.24 0.00 0.00 0.00 0.00 53.44 53.61 2cug n ALA 29 Cb 0.28 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 2cug n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cug s SER 30 N 2.13 5.30 0.34 0.00 0.15 -1.26 -4.84 113.70 115.51 2cug s SER 30 Ca 0.83 -0.29 0.27 0.00 0.70 0.00 0.00 55.95 57.47 2cug s SER 30 Cb -0.64 -1.29 1.12 0.00 -1.71 0.00 0.00 66.02 63.49 2cug s SER 30 CO 0.41 0.02 1.11 0.00 1.20 0.00 0.00 173.24 175.98 2cug n GLN 31 N -0.76 -0.02 0.18 5.44 1.13 -1.26 1.00 117.38 123.09 2cug n GLN 31 Ca -0.08 0.86 -0.11 0.00 -1.94 0.00 0.00 57.00 55.73 2cug n GLN 31 Cb 0.57 -1.77 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 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 1.01 -0.51 -0.77 -1.58 0.00 -2.00 -2.46 119.26 112.96 2cug h ALA 32 Ca 0.64 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.43 2cug h ALA 32 Cb 2.23 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 20.16 2cug h ALA 32 CO -0.24 -0.53 0.47 -0.44 0.00 0.00 0.00 179.25 178.51 2cug h ASP 33 N -1.02 0.73 0.48 0.00 5.19 0.28 -2.27 116.42 119.80 2cug h ASP 33 Ca -0.05 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2cug h ASP 33 Cb 0.51 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 2cug h ASP 33 CO 0.09 0.47 -0.41 0.40 -3.12 0.00 0.00 179.24 176.67 2cug h ILE 34 N 0.86 0.18 -0.89 0.35 2.04 -0.99 0.23 117.51 119.30 2cug h ILE 34 Ca 0.33 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.38 2cug h ILE 34 Cb 0.15 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.29 2cug h ILE 34 CO -0.16 0.00 0.44 0.50 0.00 0.00 0.00 178.15 178.92 2cug h LYS 35 N -0.88 0.51 -0.46 2.37 3.64 -1.21 0.32 116.57 120.86 2cug h LYS 35 Ca -0.05 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 2cug h LYS 35 Cb 0.76 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2cug h LYS 35 CO -0.02 0.34 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.03 2cug h LYS 36 N 0.53 0.96 -0.32 1.90 3.64 -0.94 -2.41 116.57 119.92 2cug h LYS 36 Ca 0.52 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2cug h LYS 36 Cb 0.88 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2cug h LYS 36 CO -0.44 1.09 -0.24 0.00 -2.27 0.00 0.00 179.45 177.58 2cug h ALA 37 N 0.89 0.98 0.70 5.00 0.00 0.18 -2.95 119.26 124.06 2cug h ALA 37 Ca 0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2cug h ALA 37 Cb 0.82 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2cug h ALA 37 CO 0.07 0.60 -0.34 -0.92 0.00 0.00 0.00 179.25 178.66 2cug h TYR 38 N 0.55 -0.87 -0.99 0.00 3.20 -0.37 -2.84 116.97 115.65 2cug h TYR 38 Ca 0.08 -0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.24 2cug h TYR 38 Cb 0.71 0.29 -0.15 0.00 1.54 0.00 0.00 36.73 39.12 2cug h TYR 38 CO 0.03 -0.54 0.52 0.87 -1.64 0.00 0.00 178.16 177.40 2cug h LYS 39 N -1.21 0.30 0.42 1.82 1.57 -1.49 0.35 116.57 118.34 2cug h LYS 39 Ca -0.10 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2cug h LYS 39 Cb 0.72 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2cug h LYS 39 CO 0.16 0.20 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.75 2cug h LYS 40 N 0.31 -0.62 -0.98 3.15 1.63 -1.45 0.22 116.57 118.83 2cug h LYS 40 Ca 0.71 0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.73 2cug h LYS 40 Cb 1.60 0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 33.28 2cug h LYS 40 CO -0.61 -0.41 0.61 -0.07 -3.45 0.00 0.00 179.45 175.51 2cug h LEU 41 N -0.65 0.74 -0.88 5.20 3.38 -1.03 0.13 115.31 122.20 2cug h LEU 41 Ca -0.06 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2cug h LEU 41 Cb 0.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2cug h LEU 41 CO 0.06 0.31 -0.09 0.00 0.09 0.00 0.00 178.44 178.80 2cug h ALA 42 N 1.61 1.06 -0.19 1.53 0.00 -0.73 0.22 119.26 122.78 2cug h ALA 42 Ca 0.53 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2cug h ALA 42 Cb 0.85 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2cug h ALA 42 CO -0.31 0.58 -0.21 0.00 0.00 0.00 0.00 179.25 179.31 2cug h ARG 43 N 0.66 0.47 0.24 0.00 3.08 0.20 0.11 114.38 119.13 2cug h ARG 43 Ca 0.12 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2cug h ARG 43 Cb 0.55 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2cug h ARG 43 CO 0.03 0.84 -0.11 0.93 -1.07 0.00 0.00 179.97 180.59 2cug h GLU 44 N 0.13 -0.31 -0.30 0.04 4.39 -1.01 -3.10 114.58 114.42 2cug h GLU 44 Ca 0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2cug h GLU 44 Cb 0.76 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2cug h GLU 44 CO 0.05 0.06 0.00 0.91 -1.16 0.00 0.00 179.01 178.87 2cug n TRP 45 N -5.02 0.06 -1.68 4.33 7.02 0.78 -4.83 117.44 118.10 2cug n TRP 45 Ca -0.08 -0.03 -0.47 0.00 -1.02 0.00 0.00 57.50 55.90 2cug n TRP 45 Cb 0.26 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.28 2.37 0.28 -5.99 -0.00 0.37 -4.30 115.22 107.66 2cug n HIS 46 Ca 0.01 -0.07 0.18 0.00 0.46 0.00 0.00 57.72 58.30 2cug n HIS 46 Cb 0.10 -2.69 0.71 0.00 -0.12 0.00 0.00 29.99 28.00 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 9.36 0.00 -0.25 1.57 0.13 -1.86 0.69 132.00 141.63 2cug h PRO 47 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2cug h PRO 47 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2cug h PRO 47 CO 0.95 0.00 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.79 2cug h ASP 48 N 0.00 0.75 0.24 1.44 5.19 -1.95 -3.28 116.42 118.82 2cug h ASP 48 Ca -0.00 -0.38 -0.33 0.00 -0.62 0.00 0.00 57.03 55.70 2cug h ASP 48 Cb 0.49 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.72 2cug h ASP 48 CO 0.00 1.11 -2.06 0.29 -3.12 0.00 0.00 179.24 175.46 2cug n LYS 49 N -4.00 0.66 -2.26 3.56 5.02 -1.12 -4.90 118.16 115.12 2cug n LYS 49 Ca -0.03 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2cug n LYS 49 Cb 0.58 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 -5.79 6.89 -0.23 4.39 0.01 0.22 -4.91 114.94 115.51 2cug s ASN 50 Ca -0.08 2.08 0.05 0.00 -0.71 0.00 0.00 52.86 54.21 2cug s ASN 50 Cb 0.07 -2.56 -0.19 0.00 0.41 0.00 0.00 41.25 38.97 2cug s ASN 50 CO 0.83 -0.68 -0.11 1.17 -1.51 0.00 0.00 177.10 176.79 2cug n LYS 51 N 5.18 0.66 -1.70 -0.60 3.00 -1.26 -4.80 118.16 118.64 2cug n LYS 51 Ca 0.12 0.12 -0.43 0.00 -0.00 0.00 0.00 58.31 58.13 2cug n LYS 51 Cb 0.44 -1.54 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 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 -3.16 2.87 -4.65 3.14 8.00 -1.26 -4.89 116.55 116.61 2cug n ASP 52 Ca -0.42 1.20 -0.43 0.00 0.71 0.00 0.00 54.79 55.86 2cug n ASP 52 Cb 1.03 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.67 4.01 0.00 -0.24 0.04 -1.26 -3.31 135.00 132.57 2cug s PRO 53 Ca 0.57 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2cug s PRO 53 Cb -0.57 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2cug s PRO 53 CO 0.60 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2cug n GLY 54 N 4.28 3.92 0.28 0.56 0.00 -1.26 -4.97 105.19 107.99 2cug n GLY 54 Ca 0.17 -0.95 0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 0.82 0.15 4.61 0.00 -1.21 0.63 120.51 125.52 2cug n ALA 55 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 53.44 54.19 2cug n ALA 55 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.52 -0.88 0.00 4.81 -1.84 -2.07 114.58 114.08 2cug h GLU 56 Ca 0.70 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 60.07 2cug h GLU 56 Cb 1.81 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 31.19 2cug h GLU 56 CO -0.68 -0.34 -0.45 -3.47 -0.73 0.00 0.00 179.01 173.33 2cug n ASP 57 N -5.39 -0.80 -0.07 1.04 -0.08 0.21 0.25 116.55 111.70 2cug n ASP 57 Ca -0.08 1.55 -0.08 0.00 -1.51 0.00 0.00 54.79 54.67 2cug n ASP 57 Cb 0.30 -0.25 -0.01 0.00 2.34 0.00 0.00 41.12 43.49 2cug n ASP 57 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2cug h ARG 58 N 0.00 0.27 -0.82 -0.67 9.65 -1.52 -2.45 114.38 118.84 2cug h ARG 58 Ca 0.20 -0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.25 2cug h ARG 58 Cb 0.42 -0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 28.82 2cug h ARG 58 CO -0.84 0.18 0.28 0.35 2.80 0.00 0.00 179.97 182.74 2cug h PHE 59 N 0.28 0.45 -0.32 2.20 3.04 0.52 -0.21 116.94 122.90 2cug h PHE 59 Ca 0.11 0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.17 2cug h PHE 59 Cb 0.04 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.43 2cug h PHE 59 CO -0.10 -0.06 -0.03 0.82 -2.02 0.00 0.00 178.31 176.92 2cug h ILE 60 N 0.34 0.73 -0.25 1.41 2.04 -0.55 -1.65 117.51 119.58 2cug h ILE 60 Ca 0.48 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.34 2cug h ILE 60 Cb 0.86 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2cug h ILE 60 CO -0.52 0.01 0.13 1.56 0.00 0.00 0.00 178.15 179.33 2cug h GLN 61 N 0.06 0.27 -0.33 2.37 4.20 -1.00 -0.16 115.11 120.52 2cug h GLN 61 Ca 0.15 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.92 2cug h GLN 61 Cb 0.22 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 2cug h GLN 61 CO -0.29 0.18 -0.15 0.82 -0.67 0.00 0.00 178.83 178.72 2cug h ILE 62 N 0.28 0.53 -0.05 2.54 2.04 -0.79 0.29 117.51 122.34 2cug h ILE 62 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2cug h ILE 62 Cb 0.02 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2cug h ILE 62 CO -0.06 0.00 0.02 -1.28 0.00 0.00 0.00 178.15 176.83 2cug h SER 63 N -0.10 0.07 -0.87 1.72 0.87 -1.07 -2.37 113.55 111.79 2cug h SER 63 Ca 0.17 -0.16 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 2cug h SER 63 Cb 0.35 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 2cug h SER 63 CO -0.39 0.20 0.52 0.11 -0.53 0.00 0.00 176.83 176.74 2cug h LYS 64 N -0.08 0.85 0.66 2.24 1.79 -0.52 0.18 116.57 121.69 2cug h LYS 64 Ca 0.02 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2cug h LYS 64 Cb 0.16 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2cug h LYS 64 CO -0.00 0.56 -0.35 0.00 -1.08 0.00 0.00 179.45 178.58 2cug h ALA 65 N 1.46 -0.94 -0.44 3.86 0.00 -0.24 -3.05 119.26 119.91 2cug h ALA 65 Ca 0.41 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2cug h ALA 65 Cb 0.34 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2cug h ALA 65 CO -0.23 -1.03 0.29 -0.92 0.00 0.00 0.00 179.25 177.35 2cug h TYR 66 N -0.93 0.54 -0.97 0.00 3.20 -1.10 -2.68 116.97 115.03 2cug h TYR 66 Ca -0.09 0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.08 2cug h TYR 66 Cb 0.73 -0.18 -0.18 0.00 1.54 0.00 0.00 36.73 38.64 2cug h TYR 66 CO -0.05 0.34 0.08 0.39 -1.64 0.00 0.00 178.16 177.28 2cug n GLU 67 N -4.79 -0.08 -0.06 1.82 -0.58 0.61 0.13 120.64 117.69 2cug n GLU 67 Ca 0.01 1.45 -0.10 0.00 -0.42 0.00 0.00 57.16 58.10 2cug n GLU 67 Cb 0.03 -2.33 -0.03 0.00 -0.57 0.00 0.00 31.44 28.53 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 1.13 0.11 -3.67 2.04 -1.38 -1.96 117.51 113.78 2cug h ILE 68 Ca 0.62 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 2cug h ILE 68 Cb 1.34 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2cug h ILE 68 CO -0.90 0.13 -0.05 -0.07 0.00 0.00 0.00 178.15 177.26 2cug h LEU 69 N 0.25 -0.13 -0.90 1.44 3.38 0.35 1.37 115.31 121.08 2cug h LEU 69 Ca 0.08 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.38 2cug h LEU 69 Cb 0.10 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.72 2cug h LEU 69 CO -0.01 0.08 0.30 -0.24 0.09 0.00 0.00 178.44 178.65 2cug n SER 70 N -3.34 0.14 -4.66 -0.43 2.88 0.35 -4.05 113.62 104.51 2cug n SER 70 Ca -0.02 1.51 -0.43 0.00 -1.33 0.00 0.00 58.87 58.60 2cug n SER 70 Cb 0.06 -0.66 -0.02 0.00 -0.75 0.00 0.00 64.21 62.84 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 -4.75 7.03 0.25 -3.46 3.84 -0.74 -4.92 114.94 112.20 2cug s ASN 71 Ca -0.10 1.58 -0.05 0.00 0.21 0.00 0.00 52.86 54.51 2cug s ASN 71 Cb 0.29 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.78 2cug s ASN 71 CO 0.70 -0.69 1.89 -0.08 -2.79 0.00 0.00 177.10 176.13 2cug h GLU 72 N 7.78 1.13 0.68 0.43 4.81 -1.84 0.23 114.58 127.79 2cug h GLU 72 Ca -0.25 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 2cug h GLU 72 Cb 1.10 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.23 2cug h GLU 72 CO 0.96 0.75 -0.32 0.93 -0.73 0.00 0.00 179.01 180.59 2cug h GLU 73 N 1.16 -0.87 -0.43 1.92 5.08 -1.91 -0.67 114.58 118.85 2cug h GLU 73 Ca 0.39 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.88 2cug h GLU 73 Cb 0.07 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2cug h GLU 73 CO -0.14 -0.58 0.10 0.87 -1.00 0.00 0.00 179.01 178.25 2cug h LYS 74 N -1.06 0.23 0.30 2.33 1.57 -1.71 0.22 116.57 118.45 2cug h LYS 74 Ca -0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2cug h LYS 74 Cb 0.70 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2cug h LYS 74 CO 0.15 0.15 -0.40 -0.09 -0.57 0.00 0.00 179.45 178.69 2cug h ARG 75 N 0.23 -0.73 -0.55 3.15 2.43 0.53 -2.39 114.38 117.06 2cug h ARG 75 Ca 0.21 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 2cug h ARG 75 Cb 0.25 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2cug h ARG 75 CO -0.27 -0.49 0.32 1.15 -1.51 0.00 0.00 179.97 179.18 2cug h THR 76 N -0.76 1.04 -0.72 0.20 2.02 -0.82 -2.63 112.91 111.24 2cug h THR 76 Ca -0.01 -0.22 0.15 0.00 0.77 0.00 0.00 66.41 67.10 2cug h THR 76 Cb 0.71 0.35 -0.13 0.00 -1.74 0.00 0.00 68.15 67.34 2cug h THR 76 CO -0.12 0.12 -0.14 -1.13 0.37 0.00 0.00 175.52 174.61 2cug h ASN 77 N 0.63 -0.59 0.35 4.18 -1.24 -0.23 0.23 115.58 118.91 2cug h ASN 77 Ca 0.22 0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.43 2cug h ASN 77 Cb 0.04 0.42 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 2cug h ASN 77 CO -0.11 -0.22 -0.41 0.22 -1.29 0.00 0.00 177.43 175.62 2cug h TYR 78 N 0.02 -1.13 -0.06 0.67 5.03 -1.06 0.21 116.97 120.65 2cug h TYR 78 Ca 0.35 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.72 2cug h TYR 78 Cb 0.56 0.45 -0.06 0.00 1.55 0.00 0.00 36.73 39.23 2cug h TYR 78 CO -0.54 -0.52 -0.33 -0.44 -1.32 0.00 0.00 178.16 175.01 2cug h ASP 79 N -0.77 -1.01 -0.94 -2.11 5.19 -1.30 -0.71 116.42 114.76 2cug h ASP 79 Ca -0.04 0.14 0.18 0.00 -0.62 0.00 0.00 57.03 56.69 2cug h ASP 79 Cb 0.68 0.42 -0.08 0.00 0.18 0.00 0.00 39.33 40.52 2cug h ASP 79 CO -0.08 -0.38 0.60 -0.74 -3.12 0.00 0.00 179.24 175.52 2cug h HIS 80 N -0.45 0.82 0.00 4.55 2.76 -0.45 0.49 115.15 122.87 2cug h HIS 80 Ca 0.08 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2cug h HIS 80 Cb 0.56 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 2cug h HIS 80 CO -0.38 0.23 -0.09 -0.92 -1.30 0.00 0.00 177.93 175.46 2cug h TYR 81 N 0.62 0.00 -4.58 5.26 5.03 0.88 -3.46 116.97 120.72 2cug h TYR 81 Ca 0.51 0.00 -0.38 0.00 2.58 0.00 0.00 58.73 61.43 2cug h TYR 81 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.23 2cug h TYR 81 CO -0.00 0.09 -0.56 0.41 -1.32 0.00 0.00 178.16 176.78 2cug n GLY 82 N -0.18 -0.51 0.08 1.82 0.00 0.17 -4.88 105.19 101.70 2cug n GLY 82 Ca -0.00 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2cug n GLY 82 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cug h SER 83 N -1.01 -0.12 -2.98 1.61 0.02 -1.81 -3.42 113.55 105.83 2cug h SER 83 Ca -0.47 0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 59.85 2cug h SER 83 Cb 1.33 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 2cug h SER 83 CO 0.54 -0.06 -0.54 -0.83 -1.14 0.00 0.00 176.83 174.80 2cug s GLY 84 N -2.33 2.08 0.00 -3.77 0.00 -1.26 -4.92 107.32 97.12 2cug s GLY 84 Ca -0.13 -0.82 0.15 0.00 0.00 0.00 0.00 44.72 43.91 2cug s GLY 84 CO 0.67 -0.70 1.39 -1.55 0.00 0.00 0.00 173.10 172.91 2cug n PRO 85 N 1.13 0.27 -0.27 2.90 -0.04 -1.26 -3.94 135.00 133.79 2cug n PRO 85 Ca -0.13 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2cug n PRO 85 Cb 0.53 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 2cug n PRO 85 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cug n SER 86 N -1.23 -0.25 0.30 3.54 3.41 -1.26 0.07 113.62 118.21 2cug n SER 86 Ca 0.08 1.27 -0.18 0.00 -0.26 0.00 0.00 58.87 59.78 2cug n SER 86 Cb 0.10 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 2cug n SER 86 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cug h SER 87 N 0.00 -1.31 0.00 4.04 0.87 -2.00 -3.55 113.55 111.61 2cug h SER 87 Ca 0.36 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2cug h SER 87 Cb 0.57 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2cug h SER 87 CO -0.76 -0.65 0.00 0.61 -0.53 0.00 0.00 176.83 175.50