#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2odg n THR 2 N 0.00 0.00 -2.21 2.03 -2.24 -1.26 -4.85 114.28 105.74 2odg n THR 2 Ca 0.00 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2odg n THR 2 Cb 0.00 -1.27 -0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2odg n THR 2 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2odg s THR 3 N 4.53 3.56 0.85 4.28 -4.23 -1.26 -5.01 115.64 118.37 2odg s THR 3 Ca 0.09 0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 61.35 2odg s THR 3 Cb 0.02 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.62 2odg s THR 3 CO 0.05 -0.31 1.09 -0.55 -0.54 0.00 0.00 174.62 174.35 2odg s SER 4 N -2.25 3.88 0.65 3.99 0.15 -1.26 -4.84 113.70 114.01 2odg s SER 4 Ca 0.67 1.48 0.27 0.00 0.70 0.00 0.00 55.95 59.07 2odg s SER 4 Cb -0.19 -2.17 1.44 0.00 -1.71 0.00 0.00 66.02 63.39 2odg s SER 4 CO 0.30 -2.38 1.82 1.56 1.20 0.00 0.00 173.24 175.73 2odg h GLN 5 N -1.37 0.00 -0.68 5.44 4.20 -2.01 0.11 115.11 120.80 2odg h GLN 5 Ca -0.48 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 2odg h GLN 5 Cb 1.27 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 2odg h GLN 5 CO 0.55 0.00 0.37 0.87 -0.67 0.00 0.00 178.83 179.96 2odg h LYS 6 N 0.00 0.94 -0.01 1.46 1.57 -1.95 0.10 116.57 118.68 2odg h LYS 6 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2odg h LYS 6 Cb 0.92 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2odg h LYS 6 CO -0.00 0.69 0.00 1.25 -0.57 0.00 0.00 179.45 180.82 2odg h HIS 7 N 0.95 0.01 -0.25 -1.35 2.76 -1.29 0.44 115.15 116.41 2odg h HIS 7 Ca 0.24 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.26 2odg h HIS 7 Cb 0.03 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 2odg h HIS 7 CO 0.01 0.01 -0.45 0.00 -1.30 0.00 0.00 177.93 176.20 2odg h ARG 8 N 0.01 0.64 -0.44 5.26 3.08 -1.62 -2.45 114.38 118.86 2odg h ARG 8 Ca 0.00 -0.35 -0.13 0.00 0.07 0.00 0.00 59.98 59.58 2odg h ARG 8 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2odg h ARG 8 CO -0.00 0.96 -0.23 -0.44 -1.07 0.00 0.00 179.97 179.19 2odg h ASP 9 N 0.52 0.91 -0.00 7.04 3.32 -0.55 -1.25 116.42 126.40 2odg h ASP 9 Ca 0.03 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2odg h ASP 9 Cb 0.98 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2odg h ASP 9 CO 0.09 1.10 0.00 0.15 -1.72 0.00 0.00 179.24 178.86 2odg h PHE 10 N 0.77 0.01 -0.11 4.55 3.57 -0.01 -2.44 116.94 123.28 2odg h PHE 10 Ca 0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2odg h PHE 10 Cb 0.78 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2odg h PHE 10 CO 0.05 0.19 0.00 1.33 -2.23 0.00 0.00 178.31 177.64 2odg n VAL 11 N -5.00 0.16 0.33 1.41 0.24 -0.93 -3.35 118.33 111.19 2odg n VAL 11 Ca -0.07 -0.15 0.07 0.00 -2.04 0.00 0.00 64.34 62.15 2odg n VAL 11 Cb 0.11 0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.43 2odg n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2odg n ALA 12 N -0.17 3.20 -3.30 2.33 0.00 -0.48 -4.95 120.51 117.14 2odg n ALA 12 Ca 0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 2odg n ALA 12 Cb 0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 2odg n ALA 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2odg s GLU 13 N -2.67 0.85 1.00 0.00 -1.05 -1.11 -5.06 118.70 110.66 2odg s GLU 13 Ca 0.00 -0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 54.54 2odg s GLU 13 Cb 0.10 0.38 -0.15 0.00 -0.44 0.00 0.00 34.13 34.02 2odg s GLU 13 CO 0.59 -0.26 -0.81 -2.30 0.95 0.00 0.00 175.26 173.43 2odg n PRO 14 N 0.97 0.00 0.03 -4.83 -0.02 -1.26 -4.76 135.00 125.13 2odg n PRO 14 Ca -0.20 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.27 2odg n PRO 14 Cb 0.57 -1.00 -0.08 0.00 -0.02 0.00 0.00 33.50 32.97 2odg n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2odg h MET 15 N -1.00 0.00 0.00 -0.52 -0.00 -1.97 -3.49 114.93 107.95 2odg h MET 15 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2odg h MET 15 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 2odg h MET 15 CO 0.23 0.36 0.00 0.41 -0.00 0.00 0.00 176.91 177.91 2odg n GLY 16 N 1.41 2.83 1.80 -3.00 0.00 -1.26 -2.47 105.19 104.50 2odg n GLY 16 Ca -0.10 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2odg n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2odg n GLU 17 N 14.00 2.60 -1.83 1.61 1.02 -1.26 -4.77 120.64 132.01 2odg n GLU 17 Ca 0.00 -3.49 -0.37 0.00 -0.02 0.00 0.00 57.16 53.28 2odg n GLU 17 Cb 0.00 -2.10 0.06 0.00 -0.02 0.00 0.00 31.44 29.37 2odg n GLU 17 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2odg s LYS 18 N -3.51 2.72 0.68 3.49 1.02 -1.03 -4.84 119.74 118.27 2odg s LYS 18 Ca 0.53 2.01 -0.17 0.00 0.02 0.00 0.00 55.97 58.36 2odg s LYS 18 Cb 0.44 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.86 2odg s LYS 18 CO 0.02 -1.45 1.23 -1.25 -0.92 0.00 0.00 175.35 172.97 2odg s PRO 19 N -3.33 2.43 0.25 -1.68 0.04 -1.26 -2.50 135.00 128.96 2odg s PRO 19 Ca 0.80 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 63.66 2odg s PRO 19 Cb -0.36 -1.86 0.45 0.00 0.04 0.00 0.00 34.50 32.77 2odg s PRO 19 CO 0.38 -1.63 1.79 -0.24 0.04 0.00 0.00 177.00 177.34 2odg h VAL 20 N 0.17 0.83 0.00 -0.36 3.04 -1.79 0.18 116.25 118.32 2odg h VAL 20 Ca -0.49 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2odg h VAL 20 Cb 1.31 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2odg h VAL 20 CO 0.52 0.13 0.01 0.61 -1.01 0.00 0.00 177.57 177.83 2odg n GLY 21 N -1.32 -0.15 0.15 3.17 0.00 -1.26 -1.06 105.19 104.72 2odg n GLY 21 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2odg n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2odg h SER 22 N 0.00 0.00 -3.79 1.61 0.87 -0.90 -3.44 113.55 107.90 2odg h SER 22 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2odg h SER 22 Cb 0.02 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.06 2odg h SER 22 CO 0.00 0.26 0.71 -0.76 -0.53 0.00 0.00 176.83 176.52 2odg s LEU 23 N -6.08 4.38 0.26 2.23 1.43 -0.23 -4.93 118.68 115.75 2odg s LEU 23 Ca 0.03 2.81 -0.30 0.00 -1.03 0.00 0.00 54.13 55.65 2odg s LEU 23 Cb 0.07 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 2odg s LEU 23 CO 0.74 -0.69 1.43 0.00 0.23 0.00 0.00 176.35 178.07 2odg s ALA 24 N -0.90 3.62 0.00 4.21 0.00 -1.26 -2.04 121.76 125.39 2odg s ALA 24 Ca 0.52 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2odg s ALA 24 Cb -0.43 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2odg s ALA 24 CO 0.54 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2odg n GLY 25 N 2.02 3.34 3.52 0.00 0.00 -1.26 -3.16 105.19 109.65 2odg n GLY 25 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2odg n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2odg s ILE 26 N -2.70 5.21 0.73 -0.61 -1.09 -0.86 -4.80 121.20 117.09 2odg s ILE 26 Ca 0.00 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 2odg s ILE 26 Cb 0.00 -3.84 0.14 0.00 -1.58 0.00 0.00 42.46 37.18 2odg s ILE 26 CO 0.00 -0.15 1.01 -0.83 -1.23 0.00 0.00 174.94 173.74 2odg s GLY 27 N 1.73 1.75 0.26 6.18 0.00 -1.26 -4.64 107.32 111.33 2odg s GLY 27 Ca 0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 2odg s GLY 27 CO 0.11 -1.26 1.91 0.83 0.00 0.00 0.00 173.10 174.69 2odg h GLU 28 N -0.55 1.24 -0.27 2.90 5.08 -1.98 0.44 114.58 121.44 2odg h GLU 28 Ca -0.34 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2odg h GLU 28 Cb 1.26 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2odg h GLU 28 CO 0.38 0.82 0.02 0.28 -1.00 0.00 0.00 179.01 179.51 2odg h VAL 29 N 1.28 1.25 -0.45 3.13 2.07 -2.00 -2.19 116.25 119.34 2odg h VAL 29 Ca 0.40 -0.86 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 2odg h VAL 29 Cb -0.00 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2odg h VAL 29 CO -0.12 0.28 -0.28 -0.07 0.02 0.00 0.00 177.57 177.39 2odg h LEU 30 N 0.26 1.02 -1.64 2.57 3.38 -1.79 -2.67 115.31 116.43 2odg h LEU 30 Ca 0.08 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2odg h LEU 30 Cb 0.39 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2odg h LEU 30 CO 0.01 1.22 0.28 1.23 0.09 0.00 0.00 178.44 181.27 2odg h GLY 31 N 0.84 0.52 1.10 0.83 0.00 -0.04 -1.65 103.07 104.67 2odg h GLY 31 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 2odg h GLY 31 CO 0.08 0.17 -0.09 1.70 0.00 0.00 0.00 176.54 178.39 2odg h LYS 32 N 0.47 1.05 -0.24 4.80 3.64 -1.05 -0.16 116.57 125.09 2odg h LYS 32 Ca 0.17 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 2odg h LYS 32 Cb 0.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2odg h LYS 32 CO -0.04 1.08 -0.15 0.87 -2.27 0.00 0.00 179.45 178.94 2odg h LYS 33 N 0.94 0.52 -0.81 1.90 1.57 -1.17 -0.79 116.57 118.72 2odg h LYS 33 Ca 0.15 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2odg h LYS 33 Cb 0.67 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 2odg h LYS 33 CO 0.05 0.81 0.38 -0.07 -0.57 0.00 0.00 179.45 180.04 2odg h LEU 34 N 0.23 1.07 -0.82 2.94 3.38 -1.35 -1.72 115.31 119.04 2odg h LEU 34 Ca 0.05 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2odg h LEU 34 Cb 0.67 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2odg h LEU 34 CO 0.04 0.91 0.54 -0.08 0.09 0.00 0.00 178.44 179.94 2odg h GLU 35 N 1.16 1.08 0.00 1.13 4.81 -0.74 0.15 114.58 122.17 2odg h GLU 35 Ca 0.28 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2odg h GLU 35 Cb 0.13 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2odg h GLU 35 CO -0.03 0.71 0.00 0.93 -0.73 0.00 0.00 179.01 179.89 2odg h GLU 36 N 1.11 0.00 -0.07 1.92 5.08 -0.49 -1.74 114.58 120.39 2odg h GLU 36 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2odg h GLU 36 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2odg h GLU 36 CO -0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 2odg n ARG 37 N -2.83 1.69 0.00 2.33 5.12 0.39 -4.89 116.66 118.47 2odg n ARG 37 Ca 0.00 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 2odg n ARG 37 Cb 0.24 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2odg n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2odg n GLY 38 N 1.16 0.98 2.95 -0.13 0.00 -0.65 -5.03 105.19 104.48 2odg n GLY 38 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2odg n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2odg n PHE 39 N -1.75 3.50 0.97 1.61 3.01 -0.46 -4.82 117.46 119.52 2odg n PHE 39 Ca 0.00 -3.52 0.14 0.00 1.01 0.00 0.00 57.45 55.08 2odg n PHE 39 Cb 0.00 -1.13 0.60 0.00 -0.01 0.00 0.00 39.48 38.94 2odg n PHE 39 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2odg n ASP 40 N 1.66 0.07 -4.21 4.37 5.75 -1.26 -3.57 116.55 119.37 2odg n ASP 40 Ca 0.25 0.50 -0.19 0.00 -0.01 0.00 0.00 54.79 55.34 2odg n ASP 40 Cb 0.37 -0.52 -0.12 0.00 -1.03 0.00 0.00 41.12 39.81 2odg n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2odg s LYS 41 N -3.01 0.92 0.17 0.11 -0.14 -1.26 -3.93 119.74 112.60 2odg s LYS 41 Ca 0.14 -1.04 -0.13 0.00 -1.36 0.00 0.00 55.97 53.58 2odg s LYS 41 Cb 0.18 -0.96 0.06 0.00 -1.68 0.00 0.00 37.83 35.43 2odg s LYS 41 CO 0.54 0.21 1.73 0.00 -0.76 0.00 0.00 175.35 177.07 2odg h ALA 42 N 4.12 0.72 0.00 5.17 0.00 -1.66 -2.39 119.26 125.23 2odg h ALA 42 Ca -0.42 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2odg h ALA 42 Cb 1.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2odg h ALA 42 CO 0.42 0.32 0.14 0.10 0.00 0.00 0.00 179.25 180.22 2odg h TYR 43 N 0.76 0.00 0.06 0.00 -0.00 -1.86 0.36 116.97 116.30 2odg h TYR 43 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.68 2odg h TYR 43 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.89 2odg h TYR 43 CO 0.00 0.00 -1.08 0.28 -0.00 0.00 0.00 178.16 177.36 2odg h VAL 44 N 0.00 1.51 -0.03 -0.90 2.07 -1.82 -2.82 116.25 114.25 2odg h VAL 44 Ca 0.00 -2.91 -0.26 0.00 0.82 0.00 0.00 66.70 64.36 2odg h VAL 44 Cb 0.27 2.74 0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2odg h VAL 44 CO 0.00 0.85 -0.98 0.58 0.02 0.00 0.00 177.57 178.04 2odg h VAL 45 N 0.10 1.29 -0.44 2.57 2.07 -0.40 -2.86 116.25 118.57 2odg h VAL 45 Ca -0.09 -2.20 0.01 0.00 0.82 0.00 0.00 66.70 65.24 2odg h VAL 45 Cb 1.78 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 2odg h VAL 45 CO 0.17 0.68 0.29 0.25 0.02 0.00 0.00 177.57 178.99 2odg h LEU 46 N 0.42 0.50 -0.94 2.57 5.85 -1.13 -0.53 115.31 122.04 2odg h LEU 46 Ca -0.11 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2odg h LEU 46 Cb 1.63 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 2odg h LEU 46 CO 0.19 0.36 0.62 1.23 -0.34 0.00 0.00 178.44 180.50 2odg h GLY 47 N 0.58 1.35 1.01 3.75 0.00 -1.27 -1.52 103.07 106.97 2odg h GLY 47 Ca 0.17 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2odg h GLY 47 CO -0.04 0.44 0.49 1.46 0.00 0.00 0.00 176.54 178.90 2odg h GLN 48 N 1.23 0.97 -0.98 4.80 1.08 -0.98 -0.29 115.11 120.94 2odg h GLN 48 Ca 0.36 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.51 2odg h GLN 48 Cb -0.07 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.09 2odg h GLN 48 CO -0.10 0.64 0.65 0.35 -0.95 0.00 0.00 178.83 179.43 2odg h PHE 49 N 1.00 1.24 -0.35 2.96 3.57 -1.06 -1.43 116.94 122.86 2odg h PHE 49 Ca 0.27 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 2odg h PHE 49 Cb -0.12 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.20 2odg h PHE 49 CO -0.02 0.78 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.42 2odg h LEU 50 N 1.33 0.83 -1.45 0.59 3.38 -0.56 -2.77 115.31 116.68 2odg h LEU 50 Ca 0.36 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2odg h LEU 50 Cb -0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 2odg h LEU 50 CO -0.08 1.10 -0.28 0.58 0.09 0.00 0.00 178.44 179.84 2odg h VAL 51 N 0.66 1.13 -0.24 1.22 2.07 -0.37 -2.33 116.25 118.38 2odg h VAL 51 Ca 0.07 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2odg h VAL 51 Cb 0.89 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2odg h VAL 51 CO 0.08 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.12 2odg n LEU 52 N -4.10 2.00 -3.35 2.57 4.77 -0.61 -4.88 117.00 113.41 2odg n LEU 52 Ca -0.02 -1.01 -0.23 0.00 -0.03 0.00 0.00 56.01 54.72 2odg n LEU 52 Cb 0.34 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2odg n LEU 52 CO 0.37 0.37 -0.04 0.29 -1.33 0.00 0.00 177.39 177.05 2odg n LYS 53 N 0.26 -3.45 -1.60 3.23 5.02 -0.88 0.29 118.16 121.02 2odg n LYS 53 Ca 0.09 0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 56.67 2odg n LYS 53 Cb 0.39 -5.21 -0.09 0.00 -0.02 0.00 0.00 35.03 30.10 2odg n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2odg n LYS 54 N -3.74 -1.46 -1.94 1.97 5.02 -1.11 -4.87 118.16 112.02 2odg n LYS 54 Ca -0.02 1.23 -0.42 0.00 -2.02 0.00 0.00 58.31 57.08 2odg n LYS 54 Cb 0.55 -5.62 -0.03 0.00 -0.02 0.00 0.00 35.03 29.91 2odg n LYS 54 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2odg s ASP 55 N -2.77 5.76 0.23 4.39 -1.08 0.14 -4.82 116.67 118.52 2odg s ASP 55 Ca 0.00 1.31 -0.07 0.00 -0.52 0.00 0.00 52.55 53.27 2odg s ASP 55 Cb 0.00 -2.52 0.20 0.00 -1.46 0.00 0.00 42.92 39.14 2odg s ASP 55 CO 0.00 -1.81 1.85 -0.08 0.52 0.00 0.00 175.17 175.64 2odg h GLU 56 N 13.46 1.25 -0.42 4.34 4.81 -1.89 0.16 114.58 136.30 2odg h GLU 56 Ca -0.34 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.58 2odg h GLU 56 Cb 1.18 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2odg h GLU 56 CO 1.04 0.93 -0.33 -0.44 -0.73 0.00 0.00 179.01 179.48 2odg h ASP 57 N 1.25 1.01 -0.23 1.04 3.32 -1.99 -0.40 116.42 120.42 2odg h ASP 57 Ca 0.31 -0.44 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 2odg h ASP 57 Cb 0.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 2odg h ASP 57 CO -0.05 1.24 -0.49 -0.07 -1.72 0.00 0.00 179.24 178.15 2odg h LEU 58 N 0.79 0.89 0.00 1.55 3.38 -1.88 -1.88 115.31 118.16 2odg h LEU 58 Ca 0.08 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2odg h LEU 58 Cb 0.92 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2odg h LEU 58 CO 0.09 1.22 -0.00 0.15 0.09 0.00 0.00 178.44 179.99 2odg h PHE 59 N 0.64 -0.00 -0.68 1.13 3.57 -0.55 0.78 116.94 121.83 2odg h PHE 59 Ca 0.03 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2odg h PHE 59 Cb 1.07 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 2odg h PHE 59 CO 0.06 0.23 0.28 0.00 -2.23 0.00 0.00 178.31 176.65 2odg h ARG 60 N -0.23 1.01 -0.67 1.11 3.08 -1.08 0.60 114.38 118.21 2odg h ARG 60 Ca -0.00 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 2odg h ARG 60 Cb 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2odg h ARG 60 CO 0.00 0.84 0.12 1.49 -1.07 0.00 0.00 179.97 181.34 2odg h GLU 61 N 0.96 1.11 -0.07 0.04 4.81 -1.26 -0.24 114.58 119.94 2odg h GLU 61 Ca 0.23 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2odg h GLU 61 Cb 0.20 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2odg h GLU 61 CO -0.02 1.01 0.02 2.35 -0.73 0.00 0.00 179.01 181.64 2odg h TRP 62 N 1.03 0.11 -0.10 0.92 7.01 -0.25 0.24 115.95 124.90 2odg h TRP 62 Ca 0.21 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 2odg h TRP 62 Cb 0.43 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 2odg h TRP 62 CO 0.03 0.28 0.00 1.25 -2.79 0.00 0.00 178.44 177.22 2odg h LEU 63 N -0.09 0.18 -0.02 0.65 7.12 -0.80 0.22 115.31 122.56 2odg h LEU 63 Ca 0.02 -0.30 -0.00 0.00 0.13 0.00 0.00 57.88 57.73 2odg h LEU 63 Cb 0.22 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2odg h LEU 63 CO -0.00 0.44 0.01 0.50 -0.13 0.00 0.00 178.44 179.26 2odg h LYS 64 N -0.08 0.03 0.00 1.25 3.64 -1.04 0.11 116.57 120.48 2odg h LYS 64 Ca 0.03 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2odg h LYS 64 Cb 0.34 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2odg h LYS 64 CO 0.00 0.06 -0.31 0.22 -2.27 0.00 0.00 179.45 177.16 2odg h ASP 65 N -0.02 0.00 0.70 4.20 3.58 -0.49 1.01 116.42 125.40 2odg h ASP 65 Ca 0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 2odg h ASP 65 Cb 0.04 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2odg h ASP 65 CO -0.00 0.31 -1.23 0.74 -2.88 0.00 0.00 179.24 176.18 2odg h THR 66 N 0.00 1.49 0.00 2.25 2.02 -0.07 -3.42 112.91 115.18 2odg h THR 66 Ca -0.00 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 64.06 2odg h THR 66 Cb 0.62 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2odg h THR 66 CO 0.04 0.89 -0.45 0.00 0.37 0.00 0.00 175.52 176.38 2odg n GLY 68 N 1.54 1.17 3.46 0.00 0.00 0.35 -5.02 105.19 106.69 2odg n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2odg n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2odg n ALA 69 N -1.47 -1.66 -2.02 4.61 0.00 -1.26 -4.94 120.51 113.78 2odg n ALA 69 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.90 2odg n ALA 69 Cb 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 19.45 17.65 2odg n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2odg s ASN 70 N -1.56 5.23 0.46 0.00 -0.87 -1.26 -4.59 114.94 112.36 2odg s ASN 70 Ca 0.64 0.38 0.17 0.00 -1.57 0.00 0.00 52.86 52.48 2odg s ASN 70 Cb -0.33 -1.24 1.12 0.00 -0.02 0.00 0.00 41.25 40.79 2odg s ASN 70 CO 0.59 -1.25 1.98 0.00 -2.57 0.00 0.00 177.10 175.85 2odg h ALA 71 N -0.21 2.14 -0.02 0.60 0.00 -1.98 -2.17 119.26 117.61 2odg h ALA 71 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2odg h ALA 71 Cb 1.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2odg h ALA 71 CO 0.58 -0.28 -0.02 -0.22 0.00 0.00 0.00 179.25 179.30 2odg h LYS 72 N 0.31 0.05 0.00 0.00 3.64 -2.01 -2.99 116.57 115.57 2odg h LYS 72 Ca 0.28 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2odg h LYS 72 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2odg h LYS 72 CO -0.07 0.54 -0.38 1.96 -2.27 0.00 0.00 179.45 179.23 2odg h GLN 73 N -0.43 0.00 -0.18 1.90 4.20 -1.77 -2.61 115.11 116.23 2odg h GLN 73 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2odg h GLN 73 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2odg h GLN 73 CO 0.01 0.38 -0.45 0.66 -0.67 0.00 0.00 178.83 178.75 2odg h SER 74 N 0.00 0.47 -0.84 1.46 4.64 -1.44 -2.86 113.55 114.97 2odg h SER 74 Ca -0.00 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2odg h SER 74 Cb 0.68 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.59 2odg h SER 74 CO 0.05 0.86 0.51 0.03 -0.87 0.00 0.00 176.83 177.41 2odg h ARG 75 N 0.35 1.15 -0.53 4.77 3.08 -1.31 -0.39 114.38 121.50 2odg h ARG 75 Ca 0.02 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2odg h ARG 75 Cb 0.93 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2odg h ARG 75 CO 0.08 0.80 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.25 2odg h ASP 76 N 1.17 0.97 -0.41 7.04 3.32 -1.48 -2.30 116.42 124.73 2odg h ASP 76 Ca 0.30 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2odg h ASP 76 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2odg h ASP 76 CO -0.06 1.07 -0.35 0.00 -1.72 0.00 0.00 179.24 178.19 2odg h PHE 78 N 0.79 -1.18 -0.30 0.00 3.57 -0.88 0.41 116.94 119.35 2odg h PHE 78 Ca 0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2odg h PHE 78 Cb 0.94 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 2odg h PHE 78 CO 0.06 -0.74 -0.01 0.78 -2.23 0.00 0.00 178.31 176.17 2odg h GLY 79 N -1.28 0.50 0.62 2.40 0.00 -1.48 0.51 103.07 104.34 2odg h GLY 79 Ca -0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2odg h GLY 79 CO 0.21 0.27 -0.06 0.00 0.00 0.00 0.00 176.54 176.97 2odg h LEU 81 N -0.27 1.01 -0.57 0.00 3.38 -0.01 -2.30 115.31 116.55 2odg h LEU 81 Ca 0.01 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 2odg h LEU 81 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2odg h LEU 81 CO 0.01 1.27 -0.07 -0.09 0.09 0.00 0.00 178.44 179.66 2odg h ARG 82 N 0.76 1.05 -0.19 1.13 2.43 0.06 -1.97 114.38 117.64 2odg h ARG 82 Ca 0.06 -0.37 -0.13 0.00 -0.81 0.00 0.00 59.98 58.73 2odg h ARG 82 Cb 1.00 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2odg h ARG 82 CO 0.10 1.06 -0.45 0.93 -1.51 0.00 0.00 179.97 180.11 2odg h GLU 83 N 0.93 0.46 -0.16 0.20 5.08 -0.45 -0.21 114.58 120.43 2odg h GLU 83 Ca 0.15 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2odg h GLU 83 Cb 0.63 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2odg h GLU 83 CO 0.04 0.82 0.08 2.35 -1.00 0.00 0.00 179.01 181.30 2odg h TRP 84 N 0.38 0.15 -1.01 4.33 7.01 -1.23 -1.43 115.95 124.16 2odg h TRP 84 Ca 0.03 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2odg h TRP 84 Cb 0.93 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.88 2odg h TRP 84 CO 0.03 0.09 0.65 0.00 -2.79 0.00 0.00 178.44 176.42 2odg h ASP 86 N 1.23 0.60 0.72 0.00 3.32 -0.00 4.77 116.42 127.06 2odg h ASP 86 Ca 0.42 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.26 2odg h ASP 86 Cb 0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2odg h ASP 86 CO -0.15 0.50 -1.39 0.00 -1.72 0.00 0.00 179.24 176.48 2odg n ALA 87 N -2.46 1.96 0.24 3.45 0.00 -0.67 -4.36 120.51 118.66 2odg n ALA 87 Ca 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 52.99 2odg n ALA 87 Cb 0.11 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.59 2odg n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2odg n PHE 88 N -2.88 0.00 -1.34 0.00 3.72 0.19 -5.10 117.46 112.05 2odg n PHE 88 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2odg n PHE 88 Cb 0.83 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 2odg n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60