#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo h SER 0 N 0.00 0.16 -0.27 1.61 0.87 -0.81 -3.40 113.55 111.71 2wgo h SER 0 Ca 0.00 -0.92 -0.11 0.00 -1.23 0.00 0.00 61.79 59.53 2wgo h SER 0 Cb 0.00 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2wgo h SER 0 CO 0.00 1.22 -0.10 0.18 -0.53 0.00 0.00 176.83 177.60 2wgo n LEU 1 N -4.39 0.11 -4.04 2.23 4.77 -1.26 -4.81 117.00 109.61 2wgo n LEU 1 Ca -0.15 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.63 2wgo n LEU 1 Cb 0.64 -2.17 -0.11 0.00 -2.33 0.00 0.00 43.42 39.45 2wgo n LEU 1 CO 0.37 -0.81 0.02 -0.51 -1.33 0.00 0.00 177.39 175.12 2wgo s ILE 2 N -1.69 3.42 0.00 -0.08 1.10 -1.26 -4.81 121.20 117.88 2wgo s ILE 2 Ca 0.00 -3.33 0.00 0.00 -0.51 0.00 0.00 60.65 56.81 2wgo s ILE 2 Cb 0.00 -3.24 0.00 0.00 0.15 0.00 0.00 42.46 39.37 2wgo s ILE 2 CO 0.00 -0.90 0.00 0.00 -2.11 0.00 0.00 174.94 171.93 2wgo n LEU 3 N 3.06 0.33 0.00 8.50 -0.00 -1.26 -0.94 117.00 126.69 2wgo n LEU 3 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2wgo n LEU 3 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2wgo n LEU 3 CO 0.33 -0.11 0.00 0.47 -0.00 0.00 0.00 177.39 178.08 2wgo n ASP 4 N -2.66 0.00 0.00 1.45 10.43 -1.26 -2.96 116.55 121.55 2wgo n ASP 4 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2wgo n ASP 4 Cb 0.29 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.25 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wgo n GLY 5 N 0.00 -1.99 2.65 0.44 0.00 -1.26 -5.04 105.19 99.99 2wgo n GLY 5 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 46.02 46.98 2wgo n GLY 5 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wgo n ASP 6 N 0.00 -7.52 -0.35 1.61 2.03 -1.20 -4.95 116.55 106.16 2wgo n ASP 6 Ca 0.00 1.10 0.04 0.00 0.52 0.00 0.00 54.79 56.46 2wgo n ASP 6 Cb 0.00 -5.00 -0.02 0.00 -0.72 0.00 0.00 41.12 35.38 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wgo n LEU 7 N 0.39 -0.24 0.11 -2.67 4.77 -1.15 -5.06 117.00 113.16 2wgo n LEU 7 Ca 0.03 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2wgo n LEU 7 Cb 0.11 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 2wgo n LEU 7 CO 0.42 -0.60 0.00 0.00 -1.33 0.00 0.00 177.39 175.88 2wgo n LEU 8 N -2.72 -1.63 0.00 2.23 -0.00 -1.26 -4.63 117.00 108.99 2wgo n LEU 8 Ca -0.02 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 2wgo n LEU 8 Cb 0.17 1.71 0.00 0.00 -0.00 0.00 0.00 43.42 45.30 2wgo n LEU 8 CO 0.01 -0.24 0.00 0.29 -0.00 0.00 0.00 177.39 177.45 2wgo n LYS 9 N -3.01 0.00 -0.16 1.47 5.02 -1.26 -4.44 118.16 115.78 2wgo n LYS 9 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2wgo n LYS 9 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.24 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2wgo n ASP 10 N 2.69 1.99 0.00 4.39 5.75 -1.26 -4.39 116.55 125.73 2wgo n ASP 10 Ca 0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 2wgo n ASP 10 Cb 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 2wgo n ASP 10 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2wgo n LYS 11 N 0.57 0.00 -4.10 0.11 4.81 -1.26 -4.66 118.16 113.61 2wgo n LYS 11 Ca 0.14 0.40 -0.35 0.00 -0.87 0.00 0.00 58.31 57.63 2wgo n LYS 11 Cb 0.34 -1.35 -0.13 0.00 0.02 0.00 0.00 35.03 33.91 2wgo n LYS 11 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wgo s LEU 12 N -3.37 3.21 -0.02 3.14 1.43 -1.26 -4.96 118.68 116.84 2wgo s LEU 12 Ca 0.00 -0.22 0.23 0.00 -1.03 0.00 0.00 54.13 53.11 2wgo s LEU 12 Cb 0.00 -1.81 0.40 0.00 0.03 0.00 0.00 46.19 44.81 2wgo s LEU 12 CO 0.00 0.07 1.16 2.29 0.23 0.00 0.00 176.35 180.10 2wgo n LYS 13 N 4.22 0.14 -4.01 1.70 2.85 -1.26 -4.70 118.16 117.10 2wgo n LYS 13 Ca -0.17 -2.05 -0.35 0.00 -1.05 0.00 0.00 58.31 54.70 2wgo n LYS 13 Cb 0.52 -0.17 -0.06 0.00 -0.65 0.00 0.00 35.03 34.66 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2wgo s LEU 14 N -0.28 4.15 0.16 -5.58 0.05 -1.26 -5.07 118.68 110.85 2wgo s LEU 14 Ca 0.32 0.31 -0.31 0.00 0.05 0.00 0.00 54.13 54.50 2wgo s LEU 14 Cb 0.36 -2.24 -0.10 0.00 -2.05 0.00 0.00 46.19 42.17 2wgo s LEU 14 CO -0.15 0.33 1.53 -2.84 -0.55 0.00 0.00 176.35 174.67 2wgo s PRO 15 N -1.44 4.23 0.00 1.48 0.02 -1.26 -4.36 135.00 133.67 2wgo s PRO 15 Ca 0.20 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2wgo s PRO 15 Cb -0.12 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2wgo s PRO 15 CO 0.10 -0.57 0.00 1.55 -0.33 0.00 0.00 177.00 177.75 2wgo n VAL 16 N 3.96 -1.07 -1.88 3.83 3.14 -1.25 -4.98 118.33 120.07 2wgo n VAL 16 Ca 0.13 0.04 -0.31 0.00 -2.96 0.00 0.00 64.34 61.24 2wgo n VAL 16 Cb 0.39 -2.52 0.01 0.00 -1.06 0.00 0.00 33.84 30.66 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2wgo s ILE 17 N -0.08 4.70 0.76 1.55 1.01 0.42 -4.85 121.20 124.71 2wgo s ILE 17 Ca 0.00 0.87 -0.13 0.00 0.00 0.00 0.00 60.65 61.40 2wgo s ILE 17 Cb 0.00 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.66 2wgo s ILE 17 CO 0.00 -1.14 1.13 -0.62 0.00 0.00 0.00 174.94 174.31 2wgo s ASP 18 N -4.18 4.26 0.61 3.58 -1.08 -1.26 -3.40 116.67 115.20 2wgo s ASP 18 Ca 0.55 2.06 0.39 0.00 -0.52 0.00 0.00 52.55 55.03 2wgo s ASP 18 Cb -0.11 -2.55 1.89 0.00 -1.46 0.00 0.00 42.92 40.69 2wgo s ASP 18 CO 0.54 -2.21 2.18 -0.55 0.52 0.00 0.00 175.17 175.65 2wgo h ASN 19 N -0.80 0.00 -0.39 -0.34 7.08 -1.93 -2.43 115.58 116.77 2wgo h ASN 19 Ca -0.45 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 52.71 2wgo h ASN 19 Cb 1.26 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.48 2wgo h ASN 19 CO 0.50 0.00 0.04 0.25 -2.08 0.00 0.00 177.43 176.13 2wgo h LEU 20 N 0.00 0.65 -0.83 6.14 5.85 -1.97 0.38 115.31 125.53 2wgo h LEU 20 Ca -0.00 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2wgo h LEU 20 Cb 0.26 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2wgo h LEU 20 CO 0.00 0.77 0.19 0.15 -0.34 0.00 0.00 178.44 179.21 2wgo h PHE 21 N 0.51 1.10 -0.08 1.25 3.57 -1.80 0.25 116.94 121.74 2wgo h PHE 21 Ca 0.12 -0.11 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2wgo h PHE 21 Cb 0.42 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2wgo h PHE 21 CO 0.03 0.88 -0.58 0.78 -2.23 0.00 0.00 178.31 177.19 2wgo h GLY 22 N 1.07 0.28 1.03 2.40 0.00 -1.44 -2.41 103.07 104.00 2wgo h GLY 22 Ca 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2wgo h GLY 22 CO -0.00 0.30 0.36 1.70 0.00 0.00 0.00 176.54 178.89 2wgo h LYS 23 N 0.19 1.13 0.09 4.80 1.63 0.52 0.46 116.57 125.40 2wgo h LYS 23 Ca -0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2wgo h LYS 23 Cb 1.08 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 2wgo h LYS 23 CO 0.09 0.89 -0.08 0.93 -3.45 0.00 0.00 179.45 177.83 2wgo h GLU 24 N 1.11 -0.19 0.11 1.90 4.39 -0.82 0.48 114.58 121.55 2wgo h GLU 24 Ca 0.27 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2wgo h GLU 24 Cb 0.15 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2wgo h GLU 24 CO -0.03 -0.12 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.31 2wgo h LEU 25 N -0.19 -0.92 -1.84 1.33 3.38 -0.98 -0.25 115.31 115.83 2wgo h LEU 25 Ca 0.00 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.18 2wgo h LEU 25 Cb 0.18 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2wgo h LEU 25 CO -0.02 -0.34 0.36 -0.07 0.09 0.00 0.00 178.44 178.46 2wgo h LEU 26 N -0.47 0.16 -0.29 1.67 3.38 -0.89 -0.33 115.31 118.54 2wgo h LEU 26 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2wgo h LEU 26 Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wgo h LEU 26 CO -0.15 0.09 0.04 -0.78 0.09 0.00 0.00 178.44 177.74 2wgo h ASP 27 N 0.18 0.47 0.34 -0.43 3.58 0.51 0.41 116.42 121.48 2wgo h ASP 27 Ca 0.25 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 2wgo h ASP 27 Cb 0.74 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2wgo h ASP 27 CO -0.04 0.61 -0.38 0.11 -2.88 0.00 0.00 179.24 176.66 2wgo h LYS 28 N 0.30 0.06 -0.11 0.28 1.57 0.37 -2.67 116.57 116.36 2wgo h LYS 28 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wgo h LYS 28 Cb 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2wgo h LYS 28 CO 0.01 0.44 0.00 1.19 -0.57 0.00 0.00 179.45 180.51 2wgo n PHE 29 N -4.07 0.12 -0.35 -1.35 3.01 -0.28 -1.01 117.46 113.53 2wgo n PHE 29 Ca -0.02 -0.06 0.09 0.00 1.01 0.00 0.00 57.45 58.48 2wgo n PHE 29 Cb 0.43 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.17 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2wgo h GLN 30 N 4.53 0.89 -0.40 -1.08 4.15 0.19 0.55 115.11 123.95 2wgo h GLN 30 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 2wgo h GLN 30 Cb 0.97 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 2wgo h GLN 30 CO 0.00 0.59 -0.06 0.22 -1.93 0.00 0.00 178.83 177.64 2wgo h ASP 31 N 0.91 0.65 0.24 -0.69 3.58 -1.78 0.25 116.42 119.58 2wgo h ASP 31 Ca 0.52 -0.17 -0.32 0.00 0.42 0.00 0.00 57.03 57.48 2wgo h ASP 31 Cb 0.62 -0.17 0.03 0.00 1.72 0.00 0.00 39.33 41.53 2wgo h ASP 31 CO -0.29 0.76 -1.44 -0.78 -2.88 0.00 0.00 179.24 174.61 2wgo h ASP 32 N 0.62 0.79 0.33 2.28 1.82 -1.18 -0.73 116.42 120.35 2wgo h ASP 32 Ca 0.12 -0.93 -0.08 0.00 -0.39 0.00 0.00 57.03 55.76 2wgo h ASP 32 Cb 0.48 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2wgo h ASP 32 CO 0.03 1.69 -0.35 0.40 -1.61 0.00 0.00 179.24 179.40 2wgo h ILE 33 N 0.08 1.26 0.00 2.25 2.04 0.07 0.11 117.51 123.32 2wgo h ILE 33 Ca -0.26 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.29 2wgo h ILE 33 Cb 2.11 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 2wgo h ILE 33 CO 0.25 0.35 -0.68 0.50 0.00 0.00 0.00 178.15 178.57 2wgo h LYS 34 N 0.02 0.00 -0.15 2.37 3.64 -0.50 0.12 116.57 122.07 2wgo h LYS 34 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2wgo h LYS 34 Cb 0.63 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2wgo h LYS 34 CO 0.05 0.31 -0.19 0.22 -2.27 0.00 0.00 179.45 177.56 2wgo h ASP 35 N 0.00 0.43 1.16 4.20 1.82 -0.53 -0.86 116.42 122.65 2wgo h ASP 35 Ca -0.04 -0.50 -0.16 0.00 -0.39 0.00 0.00 57.03 55.94 2wgo h ASP 35 Cb 1.32 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 2wgo h ASP 35 CO 0.04 0.85 -0.87 0.11 -1.61 0.00 0.00 179.24 177.76 2wgo h LYS 36 N 0.03 0.00 0.00 0.28 1.57 -0.76 -3.41 116.57 114.28 2wgo h LYS 36 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2wgo h LYS 36 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2wgo h LYS 36 CO 0.05 0.63 -0.30 0.66 -0.57 0.00 0.00 179.45 179.92 2wgo n TYR 37 N -3.20 0.00 -0.15 -1.35 4.01 0.36 -5.04 117.16 111.79 2wgo n TYR 37 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2wgo n TYR 37 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 2wgo n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgo n GLY 38 N 1.55 0.91 3.85 2.72 0.00 -0.33 -4.96 105.19 108.94 2wgo n GLY 38 Ca 0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2wgo n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgo s VAL 39 N -2.00 4.59 -0.38 1.61 1.01 -1.23 -4.86 120.40 119.14 2wgo s VAL 39 Ca 0.00 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 2wgo s VAL 39 Cb 0.00 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.75 2wgo s VAL 39 CO 0.00 -0.55 0.18 -0.62 0.00 0.00 0.00 175.10 174.11 2wgo s ASP 40 N -2.89 5.47 0.35 3.32 2.15 -1.26 -4.07 116.67 119.74 2wgo s ASP 40 Ca 0.57 -1.36 0.27 0.00 0.43 0.00 0.00 52.55 52.46 2wgo s ASP 40 Cb -0.10 -1.92 1.14 0.00 -0.30 0.00 0.00 42.92 41.73 2wgo s ASP 40 CO 0.27 -0.44 1.80 0.71 -0.17 0.00 0.00 175.17 177.35 2wgo h THR 41 N 6.13 0.00 0.00 1.71 1.35 -1.90 -2.30 112.91 117.90 2wgo h THR 41 Ca -0.22 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 2wgo h THR 41 Cb 1.08 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2wgo h THR 41 CO 0.68 0.00 -0.03 0.50 -0.25 0.00 0.00 175.52 176.42 2wgo h LYS 42 N 0.00 0.00 -0.01 4.72 3.64 -1.93 -2.22 116.57 120.78 2wgo h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wgo h LYS 42 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2wgo h LYS 42 CO 0.00 0.03 -0.55 -3.47 -2.27 0.00 0.00 179.45 173.20 2wgo n ASP 43 N -3.28 1.20 -4.64 4.20 -0.08 -0.87 -4.94 116.55 108.14 2wgo n ASP 43 Ca -0.02 -1.10 -0.43 0.00 -1.51 0.00 0.00 54.79 51.74 2wgo n ASP 43 Cb 0.17 0.74 -0.03 0.00 2.34 0.00 0.00 41.12 44.34 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wgo s LEU 44 N -2.41 4.10 -0.76 -2.67 1.43 -0.84 -4.88 118.68 112.66 2wgo s LEU 44 Ca 0.10 2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.95 2wgo s LEU 44 Cb 0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2wgo s LEU 44 CO 0.53 -1.15 1.63 -0.75 0.23 0.00 0.00 176.35 176.84 2wgo s LYS 45 N 4.50 2.93 -0.15 1.70 2.20 -0.99 -4.89 119.74 125.05 2wgo s LYS 45 Ca 0.76 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 56.02 2wgo s LYS 45 Cb -0.31 -4.56 -0.01 0.00 -1.51 0.00 0.00 37.83 31.44 2wgo s LYS 45 CO 0.31 -2.57 1.16 0.42 -0.36 0.00 0.00 175.35 174.31 2wgo s ILE 46 N 7.57 4.44 -0.24 5.43 1.01 -1.26 0.32 121.20 138.47 2wgo s ILE 46 Ca 0.54 1.74 -0.18 0.00 0.00 0.00 0.00 60.65 62.75 2wgo s ILE 46 Cb -0.08 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 2wgo s ILE 46 CO 0.11 -0.10 -0.03 0.18 0.00 0.00 0.00 174.94 175.10 2wgo n LEU 47 N 5.98 1.90 -3.67 2.97 4.77 0.19 -4.78 117.00 124.36 2wgo n LEU 47 Ca 0.12 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 2wgo n LEU 47 Cb 0.46 -0.90 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2wgo n LEU 47 CO 0.54 0.40 -0.17 -0.75 -1.33 0.00 0.00 177.39 176.09 2wgo s LYS 48 N -2.43 0.11 -0.09 3.23 2.20 -1.04 -4.96 119.74 116.78 2wgo s LYS 48 Ca -0.33 0.66 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2wgo s LYS 48 Cb 0.10 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2wgo s LYS 48 CO 0.55 -0.28 -0.13 0.99 -0.36 0.00 0.00 175.35 176.12 2wgo s THR 49 N 2.22 3.08 0.33 3.43 2.01 -1.22 -0.28 115.64 125.22 2wgo s THR 49 Ca 0.00 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 2wgo s THR 49 Cb -0.12 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.18 2wgo s THR 49 CO -0.08 0.56 0.77 -0.44 -0.69 0.00 0.00 174.62 174.74 2wgo s SER 50 N -0.23 -0.11 0.08 3.53 0.01 -0.40 0.16 113.70 116.73 2wgo s SER 50 Ca 0.01 -0.89 0.05 0.00 1.31 0.00 0.00 55.95 56.43 2wgo s SER 50 Cb -0.13 0.78 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 2wgo s SER 50 CO 0.03 -1.51 -0.13 -1.83 0.41 0.00 0.00 173.24 170.20 2wgo s GLU 51 N -3.02 0.82 0.00 12.44 -1.05 -1.26 -0.16 118.70 126.46 2wgo s GLU 51 Ca 0.14 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2wgo s GLU 51 Cb -0.05 -0.76 0.00 0.00 -0.44 0.00 0.00 34.13 32.88 2wgo s GLU 51 CO 0.09 0.16 0.00 -3.47 0.95 0.00 0.00 175.26 172.99 2wgo n ASP 52 N 1.15 0.17 0.00 0.83 -0.08 0.22 -4.94 116.55 113.90 2wgo n ASP 52 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 2wgo n ASP 52 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2wgo n ASP 52 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2wgo n LYS 53 N 0.00 0.00 -0.17 -0.67 4.81 -1.26 -4.03 118.16 116.85 2wgo n LYS 53 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2wgo n LYS 53 Cb 0.00 -0.64 0.12 0.00 0.02 0.00 0.00 35.03 34.54 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wgo n ARG 54 N -0.26 1.75 -4.23 1.64 1.74 -1.26 -4.53 116.66 111.51 2wgo n ARG 54 Ca 0.00 -1.01 -0.13 0.00 -0.77 0.00 0.00 57.85 55.94 2wgo n ARG 54 Cb 0.00 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wgo s PHE 55 N -1.64 1.17 0.10 -1.55 0.40 -1.26 -3.62 117.98 111.59 2wgo s PHE 55 Ca 0.19 -0.85 0.09 0.00 -0.60 0.00 0.00 56.93 55.75 2wgo s PHE 55 Cb 0.10 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2wgo s PHE 55 CO 0.11 -0.03 -0.22 0.71 0.70 0.00 0.00 175.22 176.49 2wgo s TYR 56 N -3.46 1.88 -0.28 0.36 2.02 0.23 0.72 117.35 118.83 2wgo s TYR 56 Ca 0.17 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2wgo s TYR 56 Cb 0.04 -1.03 0.09 0.00 -0.40 0.00 0.00 41.96 40.66 2wgo s TYR 56 CO 0.00 0.22 0.09 0.71 -1.57 0.00 0.00 175.55 175.00 2wgo s TYR 57 N -1.12 1.18 -0.38 2.71 2.02 0.77 -1.87 117.35 120.66 2wgo s TYR 57 Ca 0.08 -1.30 -0.04 0.00 -0.37 0.00 0.00 57.07 55.44 2wgo s TYR 57 Cb -0.10 -1.34 0.09 0.00 -0.40 0.00 0.00 41.96 40.21 2wgo s TYR 57 CO 0.04 -0.80 0.16 0.08 -1.57 0.00 0.00 175.55 173.47 2wgo s VAL 58 N 1.80 3.36 -0.16 0.71 1.01 -0.28 -1.28 120.40 125.56 2wgo s VAL 58 Ca 0.07 -1.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.03 2wgo s VAL 58 Cb -0.17 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2wgo s VAL 58 CO -0.24 -0.52 0.70 -0.44 0.00 0.00 0.00 175.10 174.60 2wgo s SER 59 N 1.72 6.83 0.09 3.32 0.01 0.62 0.46 113.70 126.76 2wgo s SER 59 Ca 0.04 1.01 0.05 0.00 1.31 0.00 0.00 55.95 58.36 2wgo s SER 59 Cb -0.22 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2wgo s SER 59 CO -0.02 -0.27 -0.13 0.68 0.41 0.00 0.00 173.24 173.91 2wgo s VAL 60 N 1.72 1.10 -0.23 3.43 -7.23 0.77 0.55 120.40 120.50 2wgo s VAL 60 Ca 0.33 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 58.82 2wgo s VAL 60 Cb -0.16 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 2wgo s VAL 60 CO 0.12 -0.37 0.59 -0.62 -0.31 0.00 0.00 175.10 174.52 2wgo s ASP 61 N -2.10 6.57 0.00 4.85 -1.08 0.15 -1.19 116.67 123.88 2wgo s ASP 61 Ca 0.02 0.70 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 2wgo s ASP 61 Cb -0.07 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2wgo s ASP 61 CO 0.02 -0.30 0.80 0.00 0.52 0.00 0.00 175.17 176.20 2wgo n ALA 62 N 5.39 2.49 0.00 3.66 0.00 0.13 -2.35 120.51 129.83 2wgo n ALA 62 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wgo n ALA 62 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2wgo n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgo n GLY 63 N 0.30 1.84 0.27 0.00 0.00 -1.26 -4.54 105.19 101.81 2wgo n GLY 63 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.98 2wgo n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wgo h ASP 64 N 0.00 0.00 0.00 1.61 3.58 -2.02 -3.45 116.42 116.14 2wgo h ASP 64 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wgo h ASP 64 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2wgo h ASP 64 CO 0.00 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 2wgo n GLY 65 N -0.56 1.02 3.80 -0.78 0.00 -1.26 -5.12 105.19 102.29 2wgo n GLY 65 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2wgo n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgo s GLU 66 N 0.00 3.76 -0.25 1.61 2.02 -1.26 -4.85 118.70 119.73 2wgo s GLU 66 Ca 0.00 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.29 2wgo s GLU 66 Cb 0.00 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.21 2wgo s GLU 66 CO 0.00 -0.45 -0.01 0.21 0.02 0.00 0.00 175.26 175.03 2wgo s LYS 67 N -3.41 1.35 -0.15 1.61 2.20 -1.26 0.21 119.74 120.29 2wgo s LYS 67 Ca 0.66 -1.05 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 2wgo s LYS 67 Cb -0.15 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2wgo s LYS 67 CO 0.23 -0.71 0.01 0.00 -0.36 0.00 0.00 175.35 174.52 2wgo s LYS 69 N 0.10 2.91 -0.50 0.00 2.47 -0.04 -0.17 119.74 124.52 2wgo s LYS 69 Ca 0.02 -1.67 -0.28 0.00 -1.56 0.00 0.00 55.97 52.49 2wgo s LYS 69 Cb -0.13 -4.22 0.01 0.00 -1.46 0.00 0.00 37.83 32.03 2wgo s LYS 69 CO 0.02 -1.26 1.45 -0.06 0.16 0.00 0.00 175.35 175.65 2wgo s PHE 70 N 1.57 2.28 -0.43 4.03 0.08 0.17 -1.63 117.98 124.05 2wgo s PHE 70 Ca 0.03 0.57 -0.16 0.00 0.12 0.00 0.00 56.93 57.50 2wgo s PHE 70 Cb -0.29 -4.34 0.03 0.00 -0.57 0.00 0.00 43.02 37.86 2wgo s PHE 70 CO 0.03 -2.03 0.37 0.21 -0.10 0.00 0.00 175.22 173.70 2wgo s LYS 71 N 5.36 3.01 -0.32 0.44 2.20 -0.94 -1.13 119.74 128.37 2wgo s LYS 71 Ca 0.58 -1.00 -0.09 0.00 -0.36 0.00 0.00 55.97 55.10 2wgo s LYS 71 Cb -0.12 -4.01 0.01 0.00 -1.51 0.00 0.00 37.83 32.19 2wgo s LYS 71 CO 0.28 -0.86 0.14 0.42 -0.36 0.00 0.00 175.35 174.97 2wgo s ILE 72 N 1.85 4.36 -0.08 5.43 1.01 -0.78 -2.10 121.20 130.90 2wgo s ILE 72 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2wgo s ILE 72 Cb -0.19 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2wgo s ILE 72 CO 0.10 -0.00 0.93 -1.14 0.00 0.00 0.00 174.94 174.83 2wgo n ARG 73 N 4.94 0.97 -1.07 2.79 0.63 -1.26 0.78 116.66 124.44 2wgo n ARG 73 Ca -0.14 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 56.94 2wgo n ARG 73 Cb 0.48 -1.05 -0.04 0.00 0.45 0.00 0.00 32.46 32.30 2wgo n ARG 73 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wgo n LYS 74 N 0.48 -2.15 -0.92 -0.14 5.02 -1.24 -3.90 118.16 115.30 2wgo n LYS 74 Ca 0.00 1.42 -0.15 0.00 -2.02 0.00 0.00 58.31 57.56 2wgo n LYS 74 Cb 0.46 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 2wgo n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 75 N -4.12 6.19 -4.58 4.39 -0.08 -0.11 -4.50 116.55 113.74 2wgo n ASP 75 Ca 0.01 -2.93 -0.42 0.00 -1.51 0.00 0.00 54.79 49.94 2wgo n ASP 75 Cb 0.49 -1.12 -0.02 0.00 2.34 0.00 0.00 41.12 42.80 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2wgo s VAL 76 N -1.65 3.85 0.00 5.18 -7.23 -1.25 -4.35 120.40 114.95 2wgo s VAL 76 Ca 0.32 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 2wgo s VAL 76 Cb 0.23 -4.47 0.00 0.00 0.56 0.00 0.00 36.38 32.70 2wgo s VAL 76 CO -0.04 -1.15 0.00 -0.67 -0.31 0.00 0.00 175.10 172.93 2wgo n ASP 77 N 9.25 0.00 -4.85 4.85 -0.08 -1.26 -4.82 116.55 119.64 2wgo n ASP 77 Ca 0.12 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.08 2wgo n ASP 77 Cb 0.49 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.90 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2wgo s VAL 78 N 0.00 4.67 -0.19 5.18 -7.23 -1.26 -4.96 120.40 116.61 2wgo s VAL 78 Ca 0.00 0.94 0.01 0.00 -1.81 0.00 0.00 61.98 61.13 2wgo s VAL 78 Cb 0.00 -3.64 0.22 0.00 0.56 0.00 0.00 36.38 33.51 2wgo s VAL 78 CO 0.00 -0.31 1.27 -0.81 -0.31 0.00 0.00 175.10 174.94 2wgo n PRO 79 N -0.68 1.46 0.00 4.82 -0.04 -1.26 -4.26 135.00 135.04 2wgo n PRO 79 Ca 0.04 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2wgo n PRO 79 Cb 0.53 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2wgo n PRO 79 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wgo n LYS 80 N -0.01 1.51 -4.48 0.54 4.81 -1.26 -0.20 118.16 119.07 2wgo n LYS 80 Ca 0.18 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.36 2wgo n LYS 80 Cb 0.85 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.80 2wgo n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wgo s MET 81 N 1.14 1.95 -0.14 1.64 0.23 -1.26 -4.31 119.30 118.55 2wgo s MET 81 Ca 0.00 -1.93 -0.22 0.00 -1.03 0.00 0.00 55.69 52.51 2wgo s MET 81 Cb 0.00 -1.77 -0.19 0.00 -1.53 0.00 0.00 34.83 31.34 2wgo s MET 81 CO 0.00 0.07 0.52 -0.24 -2.03 0.00 0.00 175.02 173.33 2wgo h VAL 82 N 1.85 1.27 -0.95 5.16 3.04 -1.86 -3.43 116.25 121.33 2wgo h VAL 82 Ca -0.43 -2.01 0.21 0.00 -1.01 0.00 0.00 66.70 63.46 2wgo h VAL 82 Cb 1.25 2.46 -0.32 0.00 -2.01 0.00 0.00 31.29 32.67 2wgo h VAL 82 CO 0.72 0.43 0.68 -0.83 -1.01 0.00 0.00 177.57 177.56 2wgo s GLY 83 N -4.16 0.52 -0.29 3.17 0.00 -0.89 -5.00 107.32 100.66 2wgo s GLY 83 Ca -0.16 3.75 -0.13 0.00 0.00 0.00 0.00 44.72 48.17 2wgo s GLY 83 CO 0.52 2.87 0.29 1.09 0.00 0.00 0.00 173.10 177.88 2wgo s ARG 84 N 1.26 3.88 -0.21 2.90 3.03 -1.26 -2.22 118.95 126.32 2wgo s ARG 84 Ca -0.07 -0.22 0.01 0.00 2.03 0.00 0.00 55.73 57.49 2wgo s ARG 84 Cb -0.02 -3.69 0.04 0.00 -1.03 0.00 0.00 34.95 30.25 2wgo s ARG 84 CO -0.11 -0.30 -0.12 0.21 -1.13 0.00 0.00 175.30 173.85 2wgo s LYS 85 N 1.92 2.27 -0.07 3.89 2.20 -0.65 -4.90 119.74 124.41 2wgo s LYS 85 Ca 0.11 -0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 54.47 2wgo s LYS 85 Cb -0.16 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2wgo s LYS 85 CO 0.11 -0.41 1.37 0.00 -0.36 0.00 0.00 175.35 176.05 2wgo n ARG 87 N 5.98 1.41 0.07 0.00 1.85 0.73 -4.88 116.66 121.82 2wgo n ARG 87 Ca 0.14 -4.08 0.11 0.00 -1.00 0.00 0.00 57.85 53.02 2wgo n ARG 87 Cb 0.44 -2.06 0.45 0.00 -1.05 0.00 0.00 32.46 30.25 2wgo n ARG 87 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2wgo n LYS 88 N 2.03 0.14 -2.20 2.89 4.81 -1.15 -4.72 118.16 119.95 2wgo n LYS 88 Ca 0.24 0.26 -0.27 0.00 -0.87 0.00 0.00 58.31 57.67 2wgo n LYS 88 Cb 0.40 -1.71 0.11 0.00 0.02 0.00 0.00 35.03 33.86 2wgo n LYS 88 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2wgo s ASP 89 N -3.83 4.17 0.28 3.14 2.15 -1.26 -4.84 116.67 116.48 2wgo s ASP 89 Ca 0.08 0.21 0.21 0.00 0.43 0.00 0.00 52.55 53.48 2wgo s ASP 89 Cb 0.12 -0.60 0.12 0.00 -0.30 0.00 0.00 42.92 42.25 2wgo s ASP 89 CO 0.44 -2.02 1.26 0.44 -0.17 0.00 0.00 175.17 175.12 2wgo h ASP 90 N -0.91 0.00 -3.26 -0.34 3.32 -2.03 -3.47 116.42 109.73 2wgo h ASP 90 Ca -0.42 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.08 2wgo h ASP 90 Cb 1.28 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.92 2wgo h ASP 90 CO 0.49 0.10 0.79 -0.67 -1.72 0.00 0.00 179.24 178.22 2wgo n ASP 91 N -2.90 3.57 -4.51 6.45 2.03 -1.26 -4.94 116.55 114.98 2wgo n ASP 91 Ca 0.01 1.16 -0.43 0.00 0.52 0.00 0.00 54.79 56.05 2wgo n ASP 91 Cb 0.59 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 39.37 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 92 N 0.31 6.34 0.53 1.67 2.15 -1.26 -5.02 116.67 121.40 2wgo s ASP 92 Ca 0.63 -0.36 -0.17 0.00 0.43 0.00 0.00 52.55 53.08 2wgo s ASP 92 Cb -0.53 -2.36 -0.07 0.00 -0.30 0.00 0.00 42.92 39.67 2wgo s ASP 92 CO 0.52 -0.93 1.01 -0.62 -0.17 0.00 0.00 175.17 174.97 2wgo s ASP 93 N 2.33 6.35 0.00 -0.34 2.15 -1.26 -4.98 116.67 120.92 2wgo s ASP 93 Ca 0.25 1.67 0.00 0.00 0.43 0.00 0.00 52.55 54.91 2wgo s ASP 93 Cb -0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2wgo s ASP 93 CO 0.19 -0.77 0.00 -0.90 -0.17 0.00 0.00 175.17 173.52 2wgo n ASP 94 N -1.65 0.08 -3.80 -0.34 5.75 -1.26 -4.95 116.55 110.38 2wgo n ASP 94 Ca 0.07 -0.37 -0.30 0.00 -0.01 0.00 0.00 54.79 54.18 2wgo n ASP 94 Cb 0.54 0.76 -0.14 0.00 -1.03 0.00 0.00 41.12 41.24 2wgo n ASP 94 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wgo s GLY 95 N -0.78 1.61 0.00 6.12 0.00 -1.26 -5.23 107.32 107.78 2wgo s GLY 95 Ca 0.00 -2.35 0.23 0.00 0.00 0.00 0.00 44.72 42.61 2wgo s GLY 95 CO 0.00 1.39 1.24 -1.72 0.00 0.00 0.00 173.10 174.01