#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob s THR 2 N 0.00 2.10 -0.79 0.00 -4.23 -1.26 -5.07 115.64 106.39 2sob s THR 2 Ca 0.00 -1.75 -0.26 0.00 -1.18 0.00 0.00 61.69 58.50 2sob s THR 2 Cb 0.00 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2sob s THR 2 CO 0.00 -0.01 1.62 -0.44 -0.54 0.00 0.00 174.62 175.25 2sob s SER 3 N -2.15 5.77 -0.10 3.99 0.01 -1.26 -4.72 113.70 115.23 2sob s SER 3 Ca 0.13 -0.47 0.19 0.00 1.31 0.00 0.00 55.95 57.11 2sob s SER 3 Cb -0.09 -2.55 0.43 0.00 0.21 0.00 0.00 66.02 64.01 2sob s SER 3 CO 0.06 -2.11 1.19 1.07 0.41 0.00 0.00 173.24 173.86 2sob n THR 4 N 7.03 1.01 -4.08 1.44 5.66 -1.26 -5.06 114.28 119.02 2sob n THR 4 Ca 0.22 -2.06 -0.35 0.00 -3.05 0.00 0.00 64.05 58.80 2sob n THR 4 Cb 0.50 0.45 -0.08 0.00 -1.55 0.00 0.00 70.33 69.64 2sob n THR 4 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2sob s LYS 5 N -1.54 3.50 0.00 1.09 2.20 -1.26 -3.52 119.74 120.21 2sob s LYS 5 Ca 0.36 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2sob s LYS 5 Cb 0.38 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2sob s LYS 5 CO -0.12 0.57 0.00 0.36 -0.36 0.00 0.00 175.35 175.80 2sob n LYS 6 N 2.60 0.00 -0.65 4.03 2.85 -1.26 -4.97 118.16 120.76 2sob n LYS 6 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 2sob n LYS 6 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 2sob n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2sob n LEU 7 N -0.62 -3.06 0.00 -5.58 4.77 -1.26 -4.87 117.00 106.37 2sob n LEU 7 Ca 0.00 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 2sob n LEU 7 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2sob n LEU 7 CO 0.00 -0.28 0.00 1.41 -1.33 0.00 0.00 177.39 177.19 2sob n HIS 8 N 0.06 0.00 -3.65 -1.77 8.25 -0.95 -4.71 115.22 112.45 2sob n HIS 8 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2sob n HIS 8 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2sob n HIS 8 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2sob s LYS 9 N 0.32 0.14 -0.28 -0.41 -2.85 -1.24 -4.23 119.74 111.18 2sob s LYS 9 Ca 0.00 0.21 -0.19 0.00 -1.00 0.00 0.00 55.97 54.99 2sob s LYS 9 Cb 0.00 0.04 0.10 0.00 -2.06 0.00 0.00 37.83 35.91 2sob s LYS 9 CO 0.00 -0.02 0.82 -2.00 0.10 0.00 0.00 175.35 174.25 2sob s GLU 10 N 0.74 0.62 0.84 1.78 2.12 -1.11 -4.84 118.70 118.84 2sob s GLU 10 Ca -0.03 0.94 -0.13 0.00 0.36 0.00 0.00 54.97 56.11 2sob s GLU 10 Cb -0.03 0.19 0.07 0.00 0.26 0.00 0.00 34.13 34.62 2sob s GLU 10 CO -0.12 -0.11 0.98 -2.30 -0.54 0.00 0.00 175.26 173.17 2sob n PRO 11 N 3.52 0.03 0.00 4.30 -0.02 -1.09 0.38 135.00 142.13 2sob n PRO 11 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2sob n PRO 11 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2sob n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2sob n ALA 12 N -3.37 0.00 -3.66 3.55 0.00 -1.26 -4.49 120.51 111.28 2sob n ALA 12 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 2sob n ALA 12 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2sob n ALA 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2sob s THR 13 N -0.48 -0.53 -0.10 0.00 -1.32 -1.16 -4.76 115.64 107.28 2sob s THR 13 Ca 0.00 0.17 -0.33 0.00 -1.21 0.00 0.00 61.69 60.33 2sob s THR 13 Cb 0.00 -0.63 -0.10 0.00 -1.51 0.00 0.00 72.50 70.26 2sob s THR 13 CO 0.00 0.07 1.97 0.00 -2.21 0.00 0.00 174.62 174.46 2sob n LEU 14 N 5.23 3.47 -0.05 9.08 -0.00 -1.26 -2.90 117.00 130.57 2sob n LEU 14 Ca -0.10 0.81 -0.09 0.00 -0.00 0.00 0.00 56.01 56.63 2sob n LEU 14 Cb 0.50 -1.42 -0.03 0.00 -0.00 0.00 0.00 43.42 42.47 2sob n LEU 14 CO 0.01 -0.13 -0.60 -0.38 -0.00 0.00 0.00 177.39 176.30 2sob n ILE 15 N 5.74 1.31 -3.15 1.47 5.41 -0.46 -4.98 119.36 124.70 2sob n ILE 15 Ca 0.25 0.12 0.06 0.00 1.00 0.00 0.00 62.75 64.17 2sob n ILE 15 Cb 0.33 -2.00 -0.02 0.00 -0.71 0.00 0.00 39.64 37.25 2sob n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2sob s LYS 16 N -2.53 0.13 -0.31 0.38 -2.85 -0.83 -5.01 119.74 108.72 2sob s LYS 16 Ca -0.20 0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 54.71 2sob s LYS 16 Cb 0.04 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 2sob s LYS 16 CO 0.29 -0.15 1.64 0.00 0.10 0.00 0.00 175.35 177.23 2sob s ALA 17 N 2.97 3.05 -0.04 0.59 0.00 -1.26 -1.55 121.76 125.51 2sob s ALA 17 Ca -0.02 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 2sob s ALA 17 Cb -0.09 -3.94 -0.11 0.00 0.00 0.00 0.00 23.12 18.98 2sob s ALA 17 CO -0.10 -2.35 0.72 0.82 0.00 0.00 0.00 175.76 174.85 2sob h ILE 18 N 6.51 0.28 -0.88 0.00 2.04 -1.84 -3.47 117.51 120.15 2sob h ILE 18 Ca -0.32 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2sob h ILE 18 Cb 1.15 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2sob h ILE 18 CO 1.03 0.07 0.00 0.47 0.00 0.00 0.00 178.15 179.72 2sob n ASP 19 N -5.07 0.00 0.00 1.72 8.00 0.04 -4.69 116.55 116.55 2sob n ASP 19 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2sob n ASP 19 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2sob n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2sob n GLY 20 N 0.00 -2.68 0.20 0.44 0.00 -1.26 -3.67 105.19 98.22 2sob n GLY 20 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2sob n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2sob h ASP 21 N 0.00 0.00 -3.04 1.61 3.32 -1.89 -3.42 116.42 112.99 2sob h ASP 21 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2sob h ASP 21 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2sob h ASP 21 CO 0.00 0.33 0.78 -0.89 -1.72 0.00 0.00 179.24 177.74 2sob s THR 22 N -4.20 4.43 -0.11 0.35 2.01 -1.24 -3.76 115.64 113.12 2sob s THR 22 Ca -0.03 1.73 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 2sob s THR 22 Cb 0.14 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.57 2sob s THR 22 CO 0.71 -0.09 0.27 0.68 -0.69 0.00 0.00 174.62 175.50 2sob s VAL 23 N 2.87 -0.01 -0.26 3.82 -7.23 -1.00 -0.78 120.40 117.81 2sob s VAL 23 Ca 0.52 0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.63 2sob s VAL 23 Cb -0.21 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.29 2sob s VAL 23 CO 0.15 0.02 0.17 -0.75 -0.31 0.00 0.00 175.10 174.38 2sob s LYS 24 N 0.49 3.96 0.16 4.82 2.47 -0.60 -1.41 119.74 129.63 2sob s LYS 24 Ca -0.03 -0.32 -0.23 0.00 -1.56 0.00 0.00 55.97 53.83 2sob s LYS 24 Cb -0.04 -3.58 0.06 0.00 -1.46 0.00 0.00 37.83 32.81 2sob s LYS 24 CO -0.03 -0.09 0.65 -0.48 0.16 0.00 0.00 175.35 175.56 2sob s LEU 25 N 1.49 -0.50 -0.47 5.43 2.34 -1.12 -1.36 118.68 124.50 2sob s LEU 25 Ca 0.07 -0.10 -0.11 0.00 0.06 0.00 0.00 54.13 54.05 2sob s LEU 25 Cb -0.15 2.56 0.10 0.00 -0.56 0.00 0.00 46.19 48.15 2sob s LEU 25 CO 0.08 -1.00 0.35 -0.04 -1.06 0.00 0.00 176.35 174.68 2sob s MET 26 N -3.72 2.65 0.13 1.48 -1.94 -1.14 -2.92 119.30 113.84 2sob s MET 26 Ca 0.03 -1.62 0.01 0.00 -1.71 0.00 0.00 55.69 52.40 2sob s MET 26 Cb -0.02 -3.97 -0.13 0.00 2.01 0.00 0.00 34.83 32.73 2sob s MET 26 CO -0.09 -1.13 1.29 0.10 -0.01 0.00 0.00 175.02 175.18 2sob h TYR 27 N 8.54 0.31 -0.84 -0.03 -0.00 -1.79 -3.07 116.97 120.10 2sob h TYR 27 Ca -0.24 -0.20 -0.42 0.00 -0.00 0.00 0.00 58.73 57.88 2sob h TYR 27 Cb 1.08 -0.02 -0.41 0.00 -0.00 0.00 0.00 36.73 37.38 2sob h TYR 27 CO 0.65 1.08 -0.98 1.17 -0.00 0.00 0.00 178.16 180.07 2sob n LYS 28 N -3.57 2.48 -1.13 0.10 4.81 -1.26 -4.63 118.16 114.95 2sob n LYS 28 Ca -0.04 -3.84 -0.05 0.00 -0.87 0.00 0.00 58.31 53.51 2sob n LYS 28 Cb 0.89 -1.85 -0.02 0.00 0.02 0.00 0.00 35.03 34.07 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2sob n GLY 29 N -0.50 0.70 3.03 3.14 0.00 -1.26 -4.99 105.19 105.32 2sob n GLY 29 Ca 0.24 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 2sob n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2sob s GLN 30 N -1.85 2.12 -0.26 1.61 0.74 -1.26 -5.03 119.66 115.72 2sob s GLN 30 Ca 0.00 -1.15 -0.28 0.00 0.05 0.00 0.00 55.36 53.98 2sob s GLN 30 Cb 0.00 -2.72 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 2sob s GLN 30 CO 0.00 -0.53 1.99 -1.25 -0.55 0.00 0.00 175.29 174.95 2sob s PRO 31 N 1.23 3.28 0.00 1.67 0.04 -1.26 -4.12 135.00 135.84 2sob s PRO 31 Ca -0.06 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2sob s PRO 31 Cb -0.19 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2sob s PRO 31 CO -0.06 -1.93 0.00 -1.33 0.04 0.00 0.00 177.00 173.72 2sob n MET 32 N 8.53 0.00 -3.84 4.56 2.81 -1.15 -4.98 117.12 123.05 2sob n MET 32 Ca 0.26 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.02 2sob n MET 32 Cb 0.46 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.83 2sob n MET 32 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2sob s THR 33 N -1.10 -0.01 -0.11 2.03 -1.32 -1.26 -2.80 115.64 111.07 2sob s THR 33 Ca 0.00 0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 2sob s THR 33 Cb 0.00 -0.06 0.01 0.00 -1.51 0.00 0.00 72.50 70.93 2sob s THR 33 CO 0.00 0.02 -0.20 -0.36 -2.21 0.00 0.00 174.62 171.86 2sob s PHE 34 N 0.22 2.33 -0.04 9.09 0.40 -0.50 -3.62 117.98 125.85 2sob s PHE 34 Ca -0.02 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2sob s PHE 34 Cb -0.03 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2sob s PHE 34 CO -0.01 -0.45 -0.03 2.89 0.70 0.00 0.00 175.22 178.32 2sob n ARG 35 N 3.80 0.30 0.00 0.44 1.85 -1.24 -2.37 116.66 119.44 2sob n ARG 35 Ca -0.20 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2sob n ARG 35 Cb 0.52 -1.08 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 2sob n ARG 35 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2sob n LEU 36 N -2.59 0.00 0.03 2.89 0.00 -1.22 -1.36 117.00 114.74 2sob n LEU 36 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.05 2sob n LEU 36 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.92 2sob n LEU 36 CO 0.04 0.00 -0.33 -0.11 0.00 0.00 0.00 177.39 176.99 2sob n LEU 37 N 0.00 0.43 -0.97 -1.96 7.94 -1.26 -4.81 117.00 116.37 2sob n LEU 37 Ca 0.00 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2sob n LEU 37 Cb 0.00 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 43.91 2sob n LEU 37 CO 0.00 -0.03 -0.22 -0.11 -1.11 0.00 0.00 177.39 175.92 2sob n LEU 38 N -2.28 -3.96 0.00 -1.96 7.94 -0.47 -5.02 117.00 111.25 2sob n LEU 38 Ca -0.01 1.48 0.00 0.00 -1.11 0.00 0.00 56.01 56.37 2sob n LEU 38 Cb 0.52 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2sob n LEU 38 CO 0.43 -0.46 0.00 0.55 -1.11 0.00 0.00 177.39 176.79 2sob n VAL 39 N 0.27 0.00 -2.78 1.96 3.14 -1.26 -4.86 118.33 114.80 2sob n VAL 39 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 2sob n VAL 39 Cb 0.00 -0.23 0.07 0.00 -1.06 0.00 0.00 33.84 32.61 2sob n VAL 39 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2sob n ASP 40 N 0.00 -0.73 -0.05 6.55 2.03 -1.26 -4.98 116.55 118.10 2sob n ASP 40 Ca 0.00 -2.91 -0.07 0.00 0.52 0.00 0.00 54.79 52.33 2sob n ASP 40 Cb 0.00 0.58 -0.06 0.00 -0.72 0.00 0.00 41.12 40.92 2sob n ASP 40 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2sob h THR 41 N 2.32 0.88 -2.46 5.18 2.02 -2.02 -3.43 112.91 115.39 2sob h THR 41 Ca -0.13 -1.63 -0.57 0.00 0.77 0.00 0.00 66.41 64.85 2sob h THR 41 Cb 1.17 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2sob h THR 41 CO 0.21 0.30 1.28 -2.16 0.37 0.00 0.00 175.52 175.52 2sob s PRO 42 N -1.96 3.57 -0.47 6.66 0.04 -1.26 -4.94 135.00 136.63 2sob s PRO 42 Ca -0.10 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2sob s PRO 42 Cb -0.01 -4.19 0.14 0.00 0.04 0.00 0.00 34.50 30.48 2sob s PRO 42 CO 0.35 -1.59 0.28 -1.21 0.04 0.00 0.00 177.00 174.87 2sob s GLU 43 N 5.32 1.37 0.04 4.56 0.41 -1.26 -5.01 118.70 124.14 2sob s GLU 43 Ca 0.84 -2.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 2sob s GLU 43 Cb -0.29 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 2sob s GLU 43 CO 0.34 -1.20 0.00 2.41 -0.49 0.00 0.00 175.26 176.31 2sob n THR 44 N 3.27-10.65 -2.65 3.63 -1.04 -1.26 -4.87 114.28 100.71 2sob n THR 44 Ca 0.13 2.43 -0.43 0.00 -2.04 0.00 0.00 64.05 64.13 2sob n THR 44 Cb 0.36 -5.21 -0.02 0.00 -1.82 0.00 0.00 70.33 63.64 2sob n THR 44 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2sob s LYS 45 N -1.02 4.08 0.26 -2.82 1.02 -1.26 -5.02 119.74 114.97 2sob s LYS 45 Ca 0.00 1.08 -0.10 0.00 0.02 0.00 0.00 55.97 56.97 2sob s LYS 45 Cb 0.00 -3.73 -0.07 0.00 -0.52 0.00 0.00 37.83 33.51 2sob s LYS 45 CO 0.00 -0.87 0.59 -1.01 -0.92 0.00 0.00 175.35 173.13 2sob s HIS 46 N 3.60 3.43 0.16 3.18 3.76 -1.26 -5.00 115.29 123.16 2sob s HIS 46 Ca 0.45 0.90 -0.15 0.00 -0.15 0.00 0.00 55.06 56.11 2sob s HIS 46 Cb -0.12 -2.29 0.04 0.00 1.11 0.00 0.00 32.58 31.32 2sob s HIS 46 CO 0.14 0.21 1.80 -1.00 -0.85 0.00 0.00 174.74 175.05 2sob h PRO 47 N 2.33 0.64 -7.19 8.40 0.13 -2.05 -3.43 132.00 130.83 2sob h PRO 47 Ca -0.47 -0.05 -0.50 0.00 -0.87 0.00 0.00 66.00 64.10 2sob h PRO 47 Cb 1.17 -0.14 0.09 0.00 0.13 0.00 0.00 31.00 32.26 2sob h PRO 47 CO 0.68 0.46 0.38 -1.59 -0.23 0.00 0.00 178.00 177.70 2sob s LYS 48 N -6.04 2.94 0.12 0.86 -2.85 -1.26 -4.97 119.74 108.54 2sob s LYS 48 Ca -0.13 1.37 -0.31 0.00 -1.00 0.00 0.00 55.97 55.90 2sob s LYS 48 Cb 0.12 -1.97 -0.07 0.00 -2.06 0.00 0.00 37.83 33.84 2sob s LYS 48 CO 0.74 -1.13 1.28 0.15 0.10 0.00 0.00 175.35 176.49 2sob s LYS 49 N -4.03 4.40 0.00 1.78 1.02 -1.26 -5.00 119.74 116.64 2sob s LYS 49 Ca 0.67 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.59 2sob s LYS 49 Cb -0.20 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 2sob s LYS 49 CO 0.40 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 2sob n GLY 50 N 3.03 0.28 3.63 -3.33 0.00 -1.26 -5.14 105.19 102.40 2sob n GLY 50 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 2sob n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sob s VAL 51 N 2.22 0.00 -0.09 1.61 0.11 -1.26 -5.14 120.40 117.85 2sob s VAL 51 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 2sob s VAL 51 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2sob s VAL 51 CO 0.00 0.00 0.81 -0.70 -3.33 0.00 0.00 175.10 171.88 2sob s GLU 52 N 0.65 4.41 -0.01 1.54 -6.30 -1.26 -5.05 118.70 112.67 2sob s GLU 52 Ca -0.02 1.04 0.08 0.00 -2.50 0.00 0.00 54.97 53.57 2sob s GLU 52 Cb -0.05 -3.50 -0.02 0.00 0.00 0.00 0.00 34.13 30.56 2sob s GLU 52 CO -0.04 -0.12 -0.26 0.21 0.02 0.00 0.00 175.26 175.08 2sob s LYS 53 N 1.38 2.04 0.15 4.30 2.47 -1.26 -5.03 119.74 123.79 2sob s LYS 53 Ca 0.41 -0.95 -0.07 0.00 -1.56 0.00 0.00 55.97 53.79 2sob s LYS 53 Cb -0.18 -2.01 -0.01 0.00 -1.46 0.00 0.00 37.83 34.17 2sob s LYS 53 CO 0.18 0.55 1.41 0.10 0.16 0.00 0.00 175.35 177.75 2sob h TYR 54 N 5.38 0.84 -1.74 4.03 -0.00 -1.97 -3.47 116.97 120.05 2sob h TYR 54 Ca -0.43 -0.34 0.03 0.00 -0.00 0.00 0.00 58.73 57.99 2sob h TYR 54 Cb 1.12 -0.14 -0.21 0.00 -0.00 0.00 0.00 36.73 37.50 2sob h TYR 54 CO 0.41 1.12 0.41 0.20 -0.00 0.00 0.00 178.16 180.30 2sob s GLY 55 N -4.14 -0.39 0.00 0.10 0.00 -1.26 -4.66 107.32 96.97 2sob s GLY 55 Ca -0.08 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.39 2sob s GLY 55 CO 0.87 0.99 0.00 -1.05 0.00 0.00 0.00 173.10 173.91 2sob n PRO 56 N 0.78 1.25 0.00 2.90 -0.02 -1.26 -4.61 135.00 134.04 2sob n PRO 56 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2sob n PRO 56 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 2sob n PRO 56 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2sob n GLU 57 N 0.00 0.00 -0.16 -0.52 0.00 -1.26 -2.69 120.64 116.01 2sob n GLU 57 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 2sob n GLU 57 Cb 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 31.44 31.10 2sob n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2sob h ALA 58 N -2.00 1.20 0.00 -1.84 0.00 -2.02 -1.92 119.26 112.68 2sob h ALA 58 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2sob h ALA 58 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2sob h ALA 58 CO 0.00 0.56 -0.14 0.77 0.00 0.00 0.00 179.25 180.44 2sob h SER 59 N 0.87 0.00 -0.82 0.00 0.02 -1.95 -2.29 113.55 109.38 2sob h SER 59 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2sob h SER 59 Cb 0.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2sob h SER 59 CO -0.01 0.14 0.52 0.00 -1.14 0.00 0.00 176.83 176.35 2sob h ALA 60 N 1.86 1.05 -0.22 3.77 0.00 -1.12 -0.64 119.26 123.95 2sob h ALA 60 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2sob h ALA 60 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2sob h ALA 60 CO 0.02 0.48 -0.36 0.74 0.00 0.00 0.00 179.25 180.13 2sob h PHE 61 N 1.12 0.57 0.00 0.00 0.04 -1.47 -2.14 116.94 115.06 2sob h PHE 61 Ca 0.30 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 2sob h PHE 61 Cb -0.09 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 2sob h PHE 61 CO -0.01 0.78 -0.17 1.15 -0.60 0.00 0.00 178.31 179.46 2sob h THR 62 N 0.41 1.06 0.00 -1.55 2.02 -1.04 -1.00 112.91 112.81 2sob h THR 62 Ca 0.04 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 2sob h THR 62 Cb 0.82 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2sob h THR 62 CO 0.07 0.16 -0.18 0.50 0.37 0.00 0.00 175.52 176.44 2sob h LYS 63 N 0.00 0.00 -0.08 6.66 3.64 -0.45 -2.56 116.57 123.78 2sob h LYS 63 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2sob h LYS 63 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2sob h LYS 63 CO 0.02 0.18 -0.69 0.87 -2.27 0.00 0.00 179.45 177.56 2sob h LYS 64 N 0.00 0.35 -2.93 1.90 6.56 -1.17 -3.04 116.57 118.25 2sob h LYS 64 Ca -0.00 -0.28 -0.42 0.00 -1.06 0.00 0.00 60.65 58.89 2sob h LYS 64 Cb 0.36 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2sob h LYS 64 CO 0.02 0.91 2.30 -1.33 -2.06 0.00 0.00 179.45 179.29 2sob n MET 65 N -3.85 2.55 0.00 3.15 2.81 -0.96 -2.57 117.12 118.25 2sob n MET 65 Ca -0.04 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 2sob n MET 65 Cb 0.68 -2.43 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 2sob n MET 65 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2sob n LEU 66 N 3.52 0.00 0.12 4.03 7.94 -1.23 -4.73 117.00 126.65 2sob n LEU 66 Ca 0.54 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.46 2sob n LEU 66 Cb 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2sob n LEU 66 CO 0.61 0.00 0.39 -0.08 -1.11 0.00 0.00 177.39 177.20 2sob h GLU 67 N 0.00 0.00 0.00 1.96 4.57 -1.37 -3.35 114.58 116.39 2sob h GLU 67 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2sob h GLU 67 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2sob h GLU 67 CO 0.00 0.53 -0.06 0.27 -1.18 0.00 0.00 179.01 178.57 2sob n ASN 68 N -3.21 1.24 -4.66 1.04 0.23 -1.24 -4.97 115.26 103.69 2sob n ASN 68 Ca 0.01 -1.90 -0.43 0.00 -0.53 0.00 0.00 54.58 51.73 2sob n ASN 68 Cb 0.76 -0.10 -0.02 0.00 -2.08 0.00 0.00 39.78 38.34 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sob s ALA 69 N -0.92 3.68 -0.15 -2.53 0.00 -1.26 -4.92 121.76 115.65 2sob s ALA 69 Ca 0.06 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2sob s ALA 69 Cb 0.05 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 2sob s ALA 69 CO 0.01 -1.05 -0.00 0.87 0.00 0.00 0.00 175.76 175.58 2sob h LYS 70 N 7.50 0.00 -6.09 0.00 1.57 -1.94 -3.41 116.57 114.21 2sob h LYS 70 Ca -0.20 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.01 2sob h LYS 70 Cb 1.06 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 2sob h LYS 70 CO 0.97 0.32 0.66 0.15 -0.57 0.00 0.00 179.45 180.99 2sob s LYS 71 N -2.19 4.30 0.23 3.15 -0.14 -1.26 -4.79 119.74 119.05 2sob s LYS 71 Ca -0.17 1.30 0.07 0.00 -1.36 0.00 0.00 55.97 55.81 2sob s LYS 71 Cb 0.03 -3.61 -0.05 0.00 -1.68 0.00 0.00 37.83 32.52 2sob s LYS 71 CO 0.32 -0.50 -0.10 0.42 -0.76 0.00 0.00 175.35 174.72 2sob s ILE 72 N 2.72 1.65 -0.40 2.17 1.01 -1.26 -3.16 121.20 123.92 2sob s ILE 72 Ca 0.44 -2.17 0.10 0.00 0.00 0.00 0.00 60.65 59.02 2sob s ILE 72 Cb -0.16 -2.20 0.34 0.00 0.01 0.00 0.00 42.46 40.44 2sob s ILE 72 CO 0.10 -0.48 0.88 -0.62 0.00 0.00 0.00 174.94 174.83 2sob n GLU 73 N -0.45 0.99 -1.38 2.79 -0.58 -0.61 -2.66 120.64 118.74 2sob n GLU 73 Ca -0.07 -2.82 -0.51 0.00 -0.42 0.00 0.00 57.16 53.35 2sob n GLU 73 Cb 0.62 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.92 2sob n GLU 73 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2sob n VAL 74 N 0.31 0.02 -3.11 2.62 0.31 0.16 -3.61 118.33 115.03 2sob n VAL 74 Ca 0.18 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 64.00 2sob n VAL 74 Cb 0.68 -0.75 -0.06 0.00 -0.91 0.00 0.00 33.84 32.79 2sob n VAL 74 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2sob s GLU 75 N 7.26 3.20 -0.39 5.55 2.02 -0.67 -2.75 118.70 132.91 2sob s GLU 75 Ca 1.24 -0.64 -0.13 0.00 0.02 0.00 0.00 54.97 55.46 2sob s GLU 75 Cb -1.27 -4.04 0.02 0.00 0.10 0.00 0.00 34.13 28.95 2sob s GLU 75 CO 0.56 -1.17 0.25 -0.06 0.02 0.00 0.00 175.26 174.86 2sob s PHE 76 N 2.83 3.24 0.72 1.61 0.08 -1.26 -3.48 117.98 121.72 2sob s PHE 76 Ca 0.19 -0.73 -0.16 0.00 0.12 0.00 0.00 56.93 56.36 2sob s PHE 76 Cb -0.17 -2.51 -0.00 0.00 -0.57 0.00 0.00 43.02 39.77 2sob s PHE 76 CO 0.15 -0.60 0.86 -0.40 -0.10 0.00 0.00 175.22 175.14 2sob n ASP 77 N 5.08 0.07 -4.66 1.36 5.75 -1.26 -2.24 116.55 120.64 2sob n ASP 77 Ca -0.12 0.65 -0.53 0.00 -0.01 0.00 0.00 54.79 54.78 2sob n ASP 77 Cb 0.47 -1.36 -0.06 0.00 -1.03 0.00 0.00 41.12 39.14 2sob n ASP 77 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2sob n LYS 78 N -1.59 1.40 -1.89 0.11 3.00 -1.23 -3.38 118.16 114.57 2sob n LYS 78 Ca 0.12 0.51 -0.00 0.00 -0.00 0.00 0.00 58.31 58.94 2sob n LYS 78 Cb 0.49 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.31 2sob n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2sob n GLY 79 N 3.59 -3.04 3.44 3.14 0.00 -1.26 -4.82 105.19 106.24 2sob n GLY 79 Ca 0.22 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 2sob n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sob n GLN 80 N 0.15 0.13 -1.28 1.61 10.64 -1.22 -4.78 117.38 122.65 2sob n GLN 80 Ca 0.00 0.09 -0.37 0.00 -1.83 0.00 0.00 57.00 54.89 2sob n GLN 80 Cb 0.02 -1.81 -0.02 0.00 -0.86 0.00 0.00 30.24 27.56 2sob n GLN 80 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2sob n ARG 81 N -0.89 2.78 -1.83 2.61 5.12 -1.19 -4.93 116.66 118.33 2sob n ARG 81 Ca 0.09 -2.09 -0.30 0.00 -1.93 0.00 0.00 57.85 53.62 2sob n ARG 81 Cb 0.51 -2.88 0.20 0.00 -1.16 0.00 0.00 32.46 29.14 2sob n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2sob s THR 82 N 3.16 1.95 0.00 0.55 -4.23 -1.26 -4.35 115.64 111.46 2sob s THR 82 Ca 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 2sob s THR 82 Cb 0.15 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 71.05 2sob s THR 82 CO -0.04 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.37 2sob n ASP 83 N -3.94 0.00 -0.07 3.99 2.03 -1.26 -4.92 116.55 112.37 2sob n ASP 83 Ca 0.16 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.36 2sob n ASP 83 Cb 0.59 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.96 2sob n ASP 83 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2sob n LYS 84 N 0.00 0.44 0.14 -0.67 3.00 -1.26 -4.60 118.16 115.21 2sob n LYS 84 Ca 0.00 0.18 0.02 0.00 -0.00 0.00 0.00 58.31 58.51 2sob n LYS 84 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 35.03 33.82 2sob n LYS 84 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2sob h TYR 85 N -0.80 0.00 -3.30 5.64 3.20 -2.01 -3.48 116.97 116.23 2sob h TYR 85 Ca -0.12 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.62 2sob h TYR 85 Cb 0.95 0.00 0.06 0.00 1.54 0.00 0.00 36.73 39.28 2sob h TYR 85 CO -0.29 0.52 -0.29 0.41 -1.64 0.00 0.00 178.16 176.88 2sob n GLY 86 N 1.14 0.18 3.60 1.82 0.00 -1.26 -5.03 105.19 105.64 2sob n GLY 86 Ca 0.02 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2sob n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2sob s ARG 87 N -4.67 -0.93 -1.36 1.61 3.52 -1.26 -4.87 118.95 110.99 2sob s ARG 87 Ca 0.04 0.09 -0.11 0.00 -0.13 0.00 0.00 55.73 55.61 2sob s ARG 87 Cb -0.02 -1.62 0.11 0.00 -1.56 0.00 0.00 34.95 31.87 2sob s ARG 87 CO 0.28 -3.55 2.04 0.28 -0.81 0.00 0.00 175.30 173.54 2sob n VAL 88 N -4.67 3.94 -2.00 7.11 0.31 -1.24 -4.62 118.33 117.16 2sob n VAL 88 Ca 0.11 -3.77 -0.38 0.00 -0.01 0.00 0.00 64.34 60.29 2sob n VAL 88 Cb 0.59 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 2sob n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2sob s LEU 89 N 0.90 3.30 0.00 7.52 1.43 -1.26 -3.59 118.68 126.98 2sob s LEU 89 Ca 0.43 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 2sob s LEU 89 Cb 0.12 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.83 2sob s LEU 89 CO -0.04 -2.41 0.50 0.00 0.23 0.00 0.00 176.35 174.63 2sob n ALA 90 N 12.98 -1.17 -2.43 4.21 0.00 -1.26 -3.17 120.51 129.66 2sob n ALA 90 Ca 0.22 -0.73 -0.26 0.00 0.00 0.00 0.00 53.44 52.67 2sob n ALA 90 Cb 0.52 0.55 -0.12 0.00 0.00 0.00 0.00 19.45 20.41 2sob n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2sob s TYR 91 N -4.68 2.22 -0.14 0.00 2.02 -1.23 -3.45 117.35 112.10 2sob s TYR 91 Ca 0.10 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.35 2sob s TYR 91 Cb -0.03 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 2sob s TYR 91 CO 0.06 0.46 0.12 0.42 -1.57 0.00 0.00 175.55 175.05 2sob s ILE 92 N -1.68 5.35 -0.64 2.71 -1.09 -1.26 -1.67 121.20 122.92 2sob s ILE 92 Ca 0.19 0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 2sob s ILE 92 Cb -0.08 -3.36 0.21 0.00 -1.58 0.00 0.00 42.46 37.66 2sob s ILE 92 CO 0.09 0.57 0.60 -1.22 -1.23 0.00 0.00 174.94 173.75 2sob n TYR 93 N 2.43 2.93 -4.71 3.97 4.02 -1.25 -3.82 117.16 120.73 2sob n TYR 93 Ca -0.19 -4.13 -0.24 0.00 -0.01 0.00 0.00 57.90 53.34 2sob n TYR 93 Cb 0.54 -0.52 -0.15 0.00 -0.02 0.00 0.00 39.34 39.19 2sob n TYR 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2sob s ALA 94 N -1.82 1.35 -0.36 -0.72 0.00 -1.26 -1.58 121.76 117.37 2sob s ALA 94 Ca 0.33 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2sob s ALA 94 Cb 0.07 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2sob s ALA 94 CO -0.10 0.32 0.48 -0.25 0.00 0.00 0.00 175.76 176.22 2sob n ASP 95 N 2.55 -6.63 0.00 0.00 9.92 -1.19 -3.83 116.55 117.37 2sob n ASP 95 Ca -0.15 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2sob n ASP 95 Cb 0.54 -3.09 0.00 0.00 -0.64 0.00 0.00 41.12 37.93 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2sob n GLY 96 N 0.10 2.59 0.94 0.44 0.00 -1.26 -4.85 105.19 103.14 2sob n GLY 96 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2sob n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2sob n LYS 97 N 0.00 -2.29 -0.93 1.61 4.81 -1.25 -4.72 118.16 115.40 2sob n LYS 97 Ca 0.00 1.75 0.00 0.00 -0.87 0.00 0.00 58.31 59.19 2sob n LYS 97 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.26 2sob n LYS 97 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2sob n MET 98 N 0.27 -0.17 -0.71 1.64 1.56 -1.25 -3.78 117.12 114.68 2sob n MET 98 Ca 0.00 0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.47 2sob n MET 98 Cb 0.00 -3.15 0.00 0.00 2.15 0.00 0.00 33.22 32.22 2sob n MET 98 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2sob n VAL 99 N -2.28 0.00 -1.30 1.12 3.14 -1.25 -4.83 118.33 112.92 2sob n VAL 99 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 2sob n VAL 99 Cb 0.04 -0.71 -0.09 0.00 -1.06 0.00 0.00 33.84 32.03 2sob n VAL 99 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2sob n ASN 100 N -0.41 6.90 0.04 6.55 6.94 -1.25 -4.53 115.26 129.50 2sob n ASN 100 Ca 0.00 -2.70 -0.08 0.00 -0.02 0.00 0.00 54.58 51.78 2sob n ASN 100 Cb 0.21 -1.43 0.07 0.00 -2.36 0.00 0.00 39.78 36.27 2sob n ASN 100 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2sob h GLU 101 N 3.83 0.41 -6.20 -3.83 4.57 -1.88 -3.42 114.58 108.06 2sob h GLU 101 Ca 0.50 -0.28 -0.57 0.00 -1.18 0.00 0.00 59.36 57.84 2sob h GLU 101 Cb 0.85 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2sob h GLU 101 CO 0.98 0.89 1.30 0.00 -1.18 0.00 0.00 179.01 181.00 2sob s ALA 102 N -3.83 3.10 0.00 2.92 0.00 -1.26 -5.18 121.76 117.51 2sob s ALA 102 Ca -0.06 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2sob s ALA 102 Cb 0.11 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2sob s ALA 102 CO 0.82 -2.25 0.49 -0.11 0.00 0.00 0.00 175.76 174.71