#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u s SER 2 N 0.00 0.22 0.07 7.83 1.04 -1.26 -5.20 113.70 116.40 2g0u s SER 2 Ca 0.00 -1.14 -0.07 0.00 0.48 0.00 0.00 55.95 55.23 2g0u s SER 2 Cb 0.00 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.84 2g0u s SER 2 CO 0.00 -1.43 0.13 0.54 0.98 0.00 0.00 173.24 173.46 2g0u s ASN 3 N -3.09 0.21 0.69 7.02 4.22 -1.26 -5.17 114.94 117.55 2g0u s ASN 3 Ca 0.21 -0.69 -0.12 0.00 -2.14 0.00 0.00 52.86 50.11 2g0u s ASN 3 Cb -0.03 0.29 0.01 0.00 1.28 0.00 0.00 41.25 42.80 2g0u s ASN 3 CO 0.13 -0.66 1.08 -2.16 -2.04 0.00 0.00 177.10 173.45 2g0u s PRO 4 N -3.60 2.81 0.47 3.55 0.04 -1.26 -4.97 135.00 132.04 2g0u s PRO 4 Ca 0.03 1.14 0.17 0.00 0.04 0.00 0.00 61.00 62.37 2g0u s PRO 4 Cb 0.04 -1.97 1.15 0.00 0.04 0.00 0.00 34.50 33.76 2g0u s PRO 4 CO -0.09 -1.21 2.01 -1.35 0.04 0.00 0.00 177.00 176.40 2g0u h PRO 5 N -0.47 0.25 -2.52 0.56 0.11 -2.08 -3.49 132.00 124.36 2g0u h PRO 5 Ca -0.45 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2g0u h PRO 5 Cb 1.22 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2g0u h PRO 5 CO 0.55 0.17 -0.70 0.25 -0.21 0.00 0.00 178.00 178.05 2g0u n THR 6 N -4.46 -1.73 -1.59 -1.15 -2.24 -1.26 -4.98 114.28 96.87 2g0u n THR 6 Ca 0.08 0.93 -0.41 0.00 -2.27 0.00 0.00 64.05 62.38 2g0u n THR 6 Cb 0.38 -1.53 0.01 0.00 -2.10 0.00 0.00 70.33 67.10 2g0u n THR 6 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2g0u n PRO 7 N -2.52 1.23 -3.66 -0.78 -0.02 -1.26 -5.05 135.00 122.94 2g0u n PRO 7 Ca -0.01 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 2g0u n PRO 7 Cb 0.36 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 2g0u n PRO 7 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2g0u s LEU 8 N -0.40 0.31 0.00 2.45 2.96 -1.26 -5.10 118.68 117.64 2g0u s LEU 8 Ca 0.64 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 2g0u s LEU 8 Cb -0.55 1.77 0.00 0.00 0.50 0.00 0.00 46.19 47.91 2g0u s LEU 8 CO 0.56 -0.58 0.09 0.00 -1.32 0.00 0.00 176.35 175.10 2g0u n LEU 9 N 0.84 0.15 -3.60 -0.68 -0.00 -1.26 -5.10 117.00 107.35 2g0u n LEU 9 Ca -0.20 -0.15 -0.16 0.00 -0.00 0.00 0.00 56.01 55.50 2g0u n LEU 9 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.93 2g0u n LEU 9 CO 0.22 0.04 0.32 0.00 -0.00 0.00 0.00 177.39 177.96 2g0u s ALA 10 N -0.00 -1.48 0.00 1.47 0.00 -1.26 -5.06 121.76 115.42 2g0u s ALA 10 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2g0u s ALA 10 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2g0u s ALA 10 CO 0.00 -0.33 0.00 -3.47 0.00 0.00 0.00 175.76 171.96 2g0u n ASP 11 N 1.15 0.00 -3.72 0.00 2.03 -1.26 -5.13 116.55 109.62 2g0u n ASP 11 Ca -0.19 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 54.98 2g0u n ASP 11 Cb 0.57 0.23 -0.09 0.00 -0.72 0.00 0.00 41.12 41.11 2g0u n ASP 11 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2g0u s TYR 12 N -1.48 -0.35 0.36 -0.67 5.04 -1.26 -5.19 117.35 113.79 2g0u s TYR 12 Ca 0.00 0.72 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 2g0u s TYR 12 Cb 0.00 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.47 2g0u s TYR 12 CO 0.00 -0.35 0.44 0.39 -1.34 0.00 0.00 175.55 174.69 2g0u n GLU 13 N 1.89 0.63 0.19 4.97 -0.58 -1.26 -5.06 120.64 121.42 2g0u n GLU 13 Ca -0.18 -3.06 0.11 0.00 -0.42 0.00 0.00 57.16 53.61 2g0u n GLU 13 Cb 0.57 2.80 0.61 0.00 -0.57 0.00 0.00 31.44 34.85 2g0u n GLU 13 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 2g0u h TRP 14 N 2.07 0.00 -1.64 -0.32 5.08 -2.03 -3.43 115.95 115.69 2g0u h TRP 14 Ca -0.27 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.00 2g0u h TRP 14 Cb 1.23 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.40 2g0u h TRP 14 CO 0.00 0.00 1.00 0.43 -1.28 0.00 0.00 178.44 178.59 2g0u n SER 15 N -2.32 2.67 0.00 0.11 7.64 -1.26 -1.19 113.62 119.27 2g0u n SER 15 Ca -0.01 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2g0u n SER 15 Cb 0.11 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 2g0u n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g0u n GLY 16 N 4.47 0.97 0.31 0.23 0.00 -1.26 -4.71 105.19 105.20 2g0u n GLY 16 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2g0u n GLY 16 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g0u h TYR 17 N 0.00 0.92 -0.81 1.61 3.20 -1.72 -1.79 116.97 118.39 2g0u h TYR 17 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2g0u h TYR 17 Cb 0.00 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 2g0u h TYR 17 CO 0.00 0.46 0.54 1.25 -1.64 0.00 0.00 178.16 178.77 2g0u h LEU 18 N 0.91 0.93 -0.85 2.82 5.85 -1.43 -1.96 115.31 121.58 2g0u h LEU 18 Ca 0.36 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 2g0u h LEU 18 Cb 0.18 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2g0u h LEU 18 CO -0.18 0.67 -0.06 0.74 -0.34 0.00 0.00 178.44 179.28 2g0u h THR 19 N 1.10 1.25 -0.66 1.05 2.02 -1.68 -3.07 112.91 112.93 2g0u h THR 19 Ca 0.30 -1.10 0.10 0.00 0.77 0.00 0.00 66.41 66.48 2g0u h THR 19 Cb -0.13 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2g0u h THR 19 CO -0.06 0.38 0.44 1.23 0.37 0.00 0.00 175.52 177.87 2g0u h GLY 20 N 0.98 0.69 1.12 2.16 0.00 -0.55 -2.02 103.07 105.43 2g0u h GLY 20 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.36 2g0u h GLY 20 CO 0.03 0.11 0.37 -2.22 0.00 0.00 0.00 176.54 174.83 2g0u h ILE 21 N 0.48 0.89 -0.62 2.60 1.08 -1.41 -1.30 117.51 119.23 2g0u h ILE 21 Ca 0.31 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 2g0u h ILE 21 Cb 0.55 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2g0u h ILE 21 CO -0.09 0.06 0.36 1.23 -0.69 0.00 0.00 178.15 179.02 2g0u h GLY 22 N 0.34 0.90 1.78 5.37 0.00 -1.52 -2.41 103.07 107.53 2g0u h GLY 22 Ca 0.25 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 2g0u h GLY 22 CO -0.06 0.36 -0.76 -0.09 0.00 0.00 0.00 176.54 175.99 2g0u h ARG 23 N 0.85 0.00 0.00 4.80 2.43 -1.42 -3.36 114.38 117.67 2g0u h ARG 23 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2g0u h ARG 23 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2g0u h ARG 23 CO -0.04 0.52 0.00 0.00 -1.51 0.00 0.00 179.97 178.94 2g0u h ALA 24 N 1.41 1.00 0.00 2.80 0.00 -0.74 -0.57 119.26 123.16 2g0u h ALA 24 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2g0u h ALA 24 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2g0u h ALA 24 CO 0.07 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.51 2g0u n PHE 25 N -2.89 0.00 -0.01 0.00 3.72 -1.23 -1.79 117.46 115.25 2g0u n PHE 25 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 2g0u n PHE 25 Cb 0.15 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.21 2g0u n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2g0u n ASP 26 N -1.47 2.42 -0.13 4.37 2.03 -0.32 -4.70 116.55 118.75 2g0u n ASP 26 Ca 0.03 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.41 2g0u n ASP 26 Cb 0.11 -0.06 0.39 0.00 -0.72 0.00 0.00 41.12 40.84 2g0u n ASP 26 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2g0u h ASP 27 N -0.04 0.59 0.19 1.67 3.58 -1.34 -0.91 116.42 120.15 2g0u h ASP 27 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2g0u h ASP 27 Cb 1.09 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2g0u h ASP 27 CO -0.02 0.39 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 2g0u n GLY 28 N -1.46 -0.62 0.03 -0.78 0.00 -0.74 -1.81 105.19 99.80 2g0u n GLY 28 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2g0u n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g0u n VAL 29 N -1.32 0.38 0.34 1.61 0.31 -0.45 -4.45 118.33 114.74 2g0u n VAL 29 Ca 0.04 -0.19 0.20 0.00 -0.01 0.00 0.00 64.34 64.37 2g0u n VAL 29 Cb 0.08 -0.80 1.07 0.00 -0.91 0.00 0.00 33.84 33.27 2g0u n VAL 29 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2g0u h LYS 30 N 0.00 0.00 -0.91 5.55 1.57 -1.11 -2.18 116.57 119.49 2g0u h LYS 30 Ca -0.15 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.87 2g0u h LYS 30 Cb 1.29 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 2g0u h LYS 30 CO -0.01 0.00 0.08 0.22 -0.57 0.00 0.00 179.45 179.18 2g0u h ASP 31 N 0.00 -0.32 -0.54 0.86 1.82 -1.58 -0.20 116.42 116.47 2g0u h ASP 31 Ca 0.00 0.24 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 2g0u h ASP 31 Cb 0.26 0.40 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 2g0u h ASP 31 CO -0.00 -0.27 -0.07 0.25 -1.61 0.00 0.00 179.24 177.54 2g0u h LEU 32 N 0.08 1.00 -1.01 2.28 6.46 -1.69 0.56 115.31 122.99 2g0u h LEU 32 Ca 0.55 -0.34 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2g0u h LEU 32 Cb 1.11 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.75 2g0u h LEU 32 CO -0.79 1.10 -0.05 -1.13 -0.62 0.00 0.00 178.44 176.95 2g0u h ASN 33 N 0.88 0.63 -0.41 1.25 -0.73 -1.49 -1.76 115.58 113.95 2g0u h ASN 33 Ca 0.15 -0.15 -0.10 0.00 1.87 0.00 0.00 56.30 58.06 2g0u h ASN 33 Cb 0.63 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 2g0u h ASN 33 CO 0.04 0.73 -0.11 0.50 -0.37 0.00 0.00 177.43 178.22 2g0u h LYS 34 N 0.61 0.87 -0.99 6.67 1.63 -0.49 0.26 116.57 125.13 2g0u h LYS 34 Ca 0.12 -0.30 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 2g0u h LYS 34 Cb 0.46 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 2g0u h LYS 34 CO 0.02 0.93 0.66 1.96 -3.45 0.00 0.00 179.45 179.57 2g0u h GLN 35 N 0.78 1.29 -0.19 1.90 4.20 -0.68 -0.31 115.11 122.11 2g0u h GLN 35 Ca 0.13 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 2g0u h GLN 35 Cb 0.62 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2g0u h GLN 35 CO 0.04 0.86 -0.67 1.25 -0.67 0.00 0.00 178.83 179.64 2g0u h LEU 36 N 1.33 0.82 -1.16 1.46 5.85 -0.91 -0.51 115.31 122.19 2g0u h LEU 36 Ca 0.37 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2g0u h LEU 36 Cb -0.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 2g0u h LEU 36 CO -0.08 1.27 -0.20 1.56 -0.34 0.00 0.00 178.44 180.65 2g0u h GLN 37 N 0.52 0.34 -0.45 1.25 4.20 -0.82 0.24 115.11 120.38 2g0u h GLN 37 Ca -0.02 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 2g0u h GLN 37 Cb 1.27 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 2g0u h GLN 37 CO 0.13 0.53 -0.07 0.22 -0.67 0.00 0.00 178.83 178.98 2g0u h ASP 38 N 0.31 0.77 -0.19 1.46 3.58 -0.86 0.57 116.42 122.06 2g0u h ASP 38 Ca 0.05 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2g0u h ASP 38 Cb 0.53 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2g0u h ASP 38 CO 0.04 0.88 0.12 0.00 -2.88 0.00 0.00 179.24 177.40 2g0u h ALA 39 N 1.19 0.24 0.00 -0.78 0.00 -0.61 -1.58 119.26 117.72 2g0u h ALA 39 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2g0u h ALA 39 Cb 0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2g0u h ALA 39 CO 0.03 -0.27 -0.14 0.37 0.00 0.00 0.00 179.25 179.24 2g0u h GLN 40 N 0.24 0.00 0.17 0.00 4.15 -0.68 0.96 115.11 119.95 2g0u h GLN 40 Ca 0.07 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.19 2g0u h GLN 40 Cb -0.00 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.70 2g0u h GLN 40 CO -0.01 0.14 -1.34 0.00 -1.93 0.00 0.00 178.83 175.69 2g0u h ALA 41 N 1.86 0.01 -0.18 3.38 0.00 -0.68 0.45 119.26 124.10 2g0u h ALA 41 Ca -0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 2g0u h ALA 41 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2g0u h ALA 41 CO 0.02 0.88 -0.16 -0.91 0.00 0.00 0.00 179.25 179.08 2g0u h ASN 42 N 0.10 0.29 0.02 0.00 2.35 -0.87 0.46 115.58 117.93 2g0u h ASN 42 Ca -0.18 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.33 2g0u h ASN 42 Cb 2.05 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.34 2g0u h ASN 42 CO 0.23 0.48 -0.57 0.25 -1.65 0.00 0.00 177.43 176.17 2g0u h LEU 43 N 0.28 0.64 -0.96 1.61 5.85 -0.85 -2.74 115.31 119.14 2g0u h LEU 43 Ca 0.05 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 2g0u h LEU 43 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2g0u h LEU 43 CO 0.03 1.07 0.10 0.74 -0.34 0.00 0.00 178.44 180.04 2g0u h THR 44 N 0.44 1.24 -0.65 1.05 2.02 0.76 0.26 112.91 118.02 2g0u h THR 44 Ca 0.00 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.32 2g0u h THR 44 Cb 1.12 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2g0u h THR 44 CO 0.11 0.33 0.43 0.50 0.37 0.00 0.00 175.52 177.25 2g0u h LYS 45 N 0.82 0.80 -1.69 6.66 3.64 -0.90 -3.38 116.57 122.53 2g0u h LYS 45 Ca 0.17 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.24 2g0u h LYS 45 Cb 0.35 -0.18 -0.28 0.00 -0.41 0.00 0.00 32.23 31.71 2g0u h LYS 45 CO 0.00 0.53 -0.60 1.21 -2.27 0.00 0.00 179.45 178.32 2g0u s ASN 46 N -6.41 0.41 0.59 4.20 3.84 -0.82 -5.07 114.94 111.66 2g0u s ASN 46 Ca -0.10 -1.17 0.30 0.00 0.21 0.00 0.00 52.86 52.10 2g0u s ASN 46 Cb 0.18 0.98 1.35 0.00 -0.55 0.00 0.00 41.25 43.22 2g0u s ASN 46 CO 0.76 -0.26 1.73 -0.65 -2.79 0.00 0.00 177.10 175.89 2g0u h PRO 47 N 7.27 0.00 0.00 0.43 0.11 -0.70 -0.68 132.00 138.42 2g0u h PRO 47 Ca 0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 2g0u h PRO 47 Cb 1.10 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 2g0u h PRO 47 CO 0.19 0.00 -0.67 -1.13 -0.21 0.00 0.00 178.00 176.19 2g0u n SER 48 N -3.64 1.32 -4.69 -2.05 3.41 -1.26 -4.89 113.62 101.82 2g0u n SER 48 Ca 0.15 -2.88 -0.42 0.00 -0.26 0.00 0.00 58.87 55.46 2g0u n SER 48 Cb 0.98 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 2g0u n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g0u s ASP 49 N -2.49 6.43 0.39 4.04 -1.08 -0.26 -4.90 116.67 118.80 2g0u s ASP 49 Ca 0.32 2.76 0.18 0.00 -0.52 0.00 0.00 52.55 55.29 2g0u s ASP 49 Cb 0.33 -2.57 0.79 0.00 -1.46 0.00 0.00 42.92 40.01 2g0u s ASP 49 CO -0.09 -1.00 1.80 1.55 0.52 0.00 0.00 175.17 177.94 2g0u h PRO 50 N 8.51 0.00 0.10 4.34 0.13 -1.96 0.10 132.00 143.22 2g0u h PRO 50 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 2g0u h PRO 50 Cb 1.22 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 2g0u h PRO 50 CO 0.95 0.35 -1.16 1.15 -0.23 0.00 0.00 178.00 179.05 2g0u h THR 51 N 0.00 1.30 -0.80 1.56 2.02 -1.97 0.10 112.91 115.12 2g0u h THR 51 Ca -0.00 -2.41 0.07 0.00 0.77 0.00 0.00 66.41 64.84 2g0u h THR 51 Cb 0.78 2.68 -0.06 0.00 -1.74 0.00 0.00 68.15 69.80 2g0u h THR 51 CO 0.05 0.73 0.47 0.00 0.37 0.00 0.00 175.52 177.14 2g0u h ALA 52 N 0.29 1.12 0.11 6.16 0.00 -1.82 0.23 119.26 125.34 2g0u h ALA 52 Ca -0.17 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.48 2g0u h ALA 52 Cb 1.84 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.48 2g0u h ALA 52 CO 0.22 0.15 -1.20 1.25 0.00 0.00 0.00 179.25 179.68 2g0u h LEU 53 N 0.83 0.53 -0.77 0.00 5.85 -0.83 0.25 115.31 121.18 2g0u h LEU 53 Ca 0.37 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2g0u h LEU 53 Cb 0.25 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2g0u h LEU 53 CO -0.21 1.38 0.43 0.00 -0.34 0.00 0.00 178.44 179.70 2g0u h ALA 54 N 0.55 0.98 0.29 1.25 0.00 -0.64 0.94 119.26 122.63 2g0u h ALA 54 Ca -0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 54 Cb 1.90 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2g0u h ALA 54 CO 0.21 0.48 -0.14 -0.97 0.00 0.00 0.00 179.25 178.83 2g0u h ASN 55 N 1.06 -0.33 -0.71 0.00 -1.24 -0.44 0.43 115.58 114.35 2g0u h ASN 55 Ca 0.27 -0.16 0.08 0.00 0.71 0.00 0.00 56.30 57.21 2g0u h ASN 55 Cb 0.02 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.09 2g0u h ASN 55 CO -0.04 -0.01 0.37 0.22 -1.29 0.00 0.00 177.43 176.67 2g0u h TYR 56 N -0.67 0.67 -0.62 0.67 5.03 -0.93 0.22 116.97 121.35 2g0u h TYR 56 Ca -0.04 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 2g0u h TYR 56 Cb 0.47 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 2g0u h TYR 56 CO 0.01 0.27 0.03 1.96 -1.32 0.00 0.00 178.16 179.11 2g0u h GLN 57 N 0.65 1.06 -0.15 1.82 1.08 -0.70 0.91 115.11 119.78 2g0u h GLN 57 Ca 0.34 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2g0u h GLN 57 Cb 0.32 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2g0u h GLN 57 CO -0.24 1.02 -0.01 1.98 -0.95 0.00 0.00 178.83 180.63 2g0u h MET 58 N 0.98 0.27 -0.30 1.46 4.05 -0.49 -0.12 114.93 120.78 2g0u h MET 58 Ca 0.18 -0.09 -0.13 0.00 -0.28 0.00 0.00 59.70 59.38 2g0u h MET 58 Cb 0.52 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2g0u h MET 58 CO 0.03 0.51 -0.33 0.82 0.23 0.00 0.00 176.91 178.16 2g0u h ILE 59 N 0.00 1.28 -0.26 1.77 2.04 -0.95 -2.35 117.51 119.05 2g0u h ILE 59 Ca 0.04 -1.47 -0.13 0.00 1.00 0.00 0.00 64.86 64.30 2g0u h ILE 59 Cb 0.40 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2g0u h ILE 59 CO 0.01 0.48 -0.38 -0.03 0.00 0.00 0.00 178.15 178.23 2g0u h MET 60 N 0.56 0.60 -0.12 2.37 4.05 -0.75 0.18 114.93 121.82 2g0u h MET 60 Ca 0.06 -0.30 0.03 0.00 -0.28 0.00 0.00 59.70 59.21 2g0u h MET 60 Cb 0.84 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.62 2g0u h MET 60 CO 0.07 0.88 -0.04 1.03 0.23 0.00 0.00 176.91 179.09 2g0u h SER 61 N 0.50 -0.13 -0.53 1.39 0.87 -0.91 -0.01 113.55 114.73 2g0u h SER 61 Ca 0.05 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2g0u h SER 61 Cb 0.88 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2g0u h SER 61 CO 0.08 -0.05 0.17 -0.08 -0.53 0.00 0.00 176.83 176.42 2g0u h GLU 62 N -0.01 0.82 -0.22 2.24 4.81 -1.19 -1.47 114.58 119.55 2g0u h GLU 62 Ca 0.06 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2g0u h GLU 62 Cb 0.11 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2g0u h GLU 62 CO -0.14 0.75 0.10 -0.92 -0.73 0.00 0.00 179.01 178.07 2g0u h TYR 63 N 0.72 0.19 -0.06 0.92 3.20 -0.50 -0.39 116.97 121.05 2g0u h TYR 63 Ca 0.17 0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.82 2g0u h TYR 63 Cb 0.26 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.49 2g0u h TYR 63 CO 0.01 0.10 -0.90 -0.97 -1.64 0.00 0.00 178.16 174.76 2g0u h ASN 64 N 0.22 0.80 -0.03 -2.11 -1.24 -0.95 -2.21 115.58 110.06 2g0u h ASN 64 Ca 0.09 -0.59 0.01 0.00 0.71 0.00 0.00 56.30 56.52 2g0u h ASN 64 Cb 0.03 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 2g0u h ASN 64 CO -0.07 1.38 -0.04 0.25 -1.29 0.00 0.00 177.43 177.66 2g0u h LEU 65 N 0.40 -0.11 -0.26 0.34 6.46 -1.23 -1.42 115.31 119.48 2g0u h LEU 65 Ca -0.08 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2g0u h LEU 65 Cb 1.54 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 2g0u h LEU 65 CO 0.17 -0.05 0.14 0.22 -0.62 0.00 0.00 178.44 178.30 2g0u h TYR 66 N -0.05 0.27 -0.41 1.25 3.20 -1.04 0.10 116.97 120.29 2g0u h TYR 66 Ca 0.03 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2g0u h TYR 66 Cb 0.09 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2g0u h TYR 66 CO -0.13 0.16 0.24 0.00 -1.64 0.00 0.00 178.16 176.80 2g0u h ARG 67 N 0.30 0.48 -0.26 1.82 3.08 -1.34 0.59 114.38 119.05 2g0u h ARG 67 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2g0u h ARG 67 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2g0u h ARG 67 CO -0.06 0.32 0.15 -0.97 -1.07 0.00 0.00 179.97 178.34 2g0u h ASN 68 N 0.49 0.32 -0.31 7.04 -0.73 -1.04 -1.93 115.58 119.42 2g0u h ASN 68 Ca 0.16 -0.06 -0.11 0.00 1.87 0.00 0.00 56.30 58.16 2g0u h ASN 68 Cb -0.00 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 2g0u h ASN 68 CO -0.07 0.29 -0.22 0.00 -0.37 0.00 0.00 177.43 177.06 2g0u h ALA 69 N 1.04 0.45 -0.56 1.57 0.00 -0.77 -1.63 119.26 119.36 2g0u h ALA 69 Ca 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2g0u h ALA 69 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2g0u h ALA 69 CO -0.02 0.41 0.37 0.37 0.00 0.00 0.00 179.25 180.38 2g0u h GLN 70 N 0.46 0.73 -0.58 0.00 -0.00 -0.90 -0.02 115.11 114.80 2g0u h GLN 70 Ca 0.06 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.60 2g0u h GLN 70 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 28.06 2g0u h GLN 70 CO 0.06 0.48 0.10 0.77 0.00 0.00 0.00 178.83 180.24 2g0u h SER 71 N 0.75 0.92 -0.15 -0.69 0.02 -1.27 -2.98 113.55 110.16 2g0u h SER 71 Ca 0.21 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2g0u h SER 71 Cb -0.08 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.22 2g0u h SER 71 CO -0.05 0.95 -0.27 0.28 -1.14 0.00 0.00 176.83 176.59 2g0u h SER 72 N 0.86 0.49 -0.50 3.07 0.02 -1.09 -3.30 113.55 113.10 2g0u h SER 72 Ca 0.18 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2g0u h SER 72 Cb 0.42 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2g0u h SER 72 CO 0.01 0.95 0.22 0.00 -1.14 0.00 0.00 176.83 176.87 2g0u h ALA 73 N 0.56 0.65 -0.01 3.77 0.00 -1.04 -2.57 119.26 120.62 2g0u h ALA 73 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2g0u h ALA 73 Cb 0.86 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2g0u h ALA 73 CO 0.06 0.23 0.01 0.28 0.00 0.00 0.00 179.25 179.82 2g0u h VAL 74 N 0.66 0.66 -0.03 0.00 2.07 -1.64 0.15 116.25 118.13 2g0u h VAL 74 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2g0u h VAL 74 Cb 0.15 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2g0u h VAL 74 CO -0.02 0.00 -0.09 0.29 0.02 0.00 0.00 177.57 177.77 2g0u n LYS 75 N -4.05 2.02 0.00 1.57 4.76 -1.00 -4.59 118.16 116.86 2g0u n LYS 75 Ca -0.03 -1.62 0.00 0.00 -2.87 0.00 0.00 58.31 53.79 2g0u n LYS 75 Cb 0.09 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2g0u n LYS 75 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2g0u n SER 76 N 0.93 0.02 -0.28 4.39 7.64 -0.72 -4.96 113.62 120.65 2g0u n SER 76 Ca 0.14 -0.19 0.09 0.00 1.01 0.00 0.00 58.87 59.91 2g0u n SER 76 Cb 0.54 0.19 0.22 0.00 -1.01 0.00 0.00 64.21 64.15 2g0u n SER 76 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2g0u h MET 77 N 0.00 0.17 0.00 1.43 -1.53 -1.25 -0.05 114.93 113.69 2g0u h MET 77 Ca 0.00 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 2g0u h MET 77 Cb 0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 31.05 2g0u h MET 77 CO 0.00 0.11 -0.13 -0.22 0.14 0.00 0.00 176.91 176.81 2g0u h LYS 78 N 0.17 0.00 0.18 0.39 3.64 -1.93 -1.01 116.57 118.02 2g0u h LYS 78 Ca 0.47 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.51 2g0u h LYS 78 Cb 0.89 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2g0u h LYS 78 CO -0.64 0.13 -1.74 0.22 -2.27 0.00 0.00 179.45 175.14 2g0u h ASP 79 N 0.00 0.61 -0.61 4.20 3.58 -1.45 -3.35 116.42 119.39 2g0u h ASP 79 Ca -0.00 -0.94 0.04 0.00 0.42 0.00 0.00 57.03 56.55 2g0u h ASP 79 Cb 0.23 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2g0u h ASP 79 CO 0.02 1.79 0.41 0.40 -2.88 0.00 0.00 179.24 178.97 2g0u h ILE 80 N 0.09 1.06 0.00 2.25 1.08 -1.02 -1.11 117.51 119.85 2g0u h ILE 80 Ca -0.35 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2g0u h ILE 80 Cb 2.08 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 2g0u h ILE 80 CO 0.17 0.13 0.13 -0.78 -0.69 0.00 0.00 178.15 177.11 2g0u h ASP 81 N 0.69 0.00 0.00 1.72 3.58 -1.32 -1.32 116.42 119.77 2g0u h ASP 81 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2g0u h ASP 81 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2g0u h ASP 81 CO -0.07 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.09 2g0u n SER 82 N -2.52 1.25 -1.36 2.28 7.64 -0.51 -4.82 113.62 115.58 2g0u n SER 82 Ca -0.02 -1.59 -0.03 0.00 1.01 0.00 0.00 58.87 58.24 2g0u n SER 82 Cb 0.17 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 2g0u n SER 82 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2g0u n SER 83 N -0.30 -0.22 -4.69 6.43 2.88 -0.66 -5.10 113.62 111.97 2g0u n SER 83 Ca 0.00 -2.02 -0.38 0.00 -1.33 0.00 0.00 58.87 55.14 2g0u n SER 83 Cb 0.31 0.08 0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2g0u n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2g0u n ILE 84 N 0.05 3.78 -3.81 2.46 3.06 -0.57 -4.79 119.36 119.53 2g0u n ILE 84 Ca -0.14 -0.50 -0.12 0.00 -2.50 0.00 0.00 62.75 59.49 2g0u n ILE 84 Cb 0.87 -1.45 -0.11 0.00 0.54 0.00 0.00 39.64 39.50 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2g0u s LEU 85 N -2.83 1.24 0.00 9.51 2.96 -1.26 -5.08 118.68 123.23 2g0u s LEU 85 Ca 0.73 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2g0u s LEU 85 Cb -0.43 0.77 0.00 0.00 0.50 0.00 0.00 46.19 47.03 2g0u s LEU 85 CO 0.48 -0.18 0.11 -0.62 -1.32 0.00 0.00 176.35 174.83 2g0u n GLU 86 N 2.47 1.96 -2.24 1.98 1.02 -1.26 -5.07 120.64 119.50 2g0u n GLU 86 Ca -0.16 -0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.46 2g0u n GLU 86 Cb 0.58 -0.47 -0.03 0.00 -0.02 0.00 0.00 31.44 31.50 2g0u n GLU 86 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2g0u s HIS 87 N -0.31 3.29 0.23 -0.32 3.76 -1.26 -5.03 115.29 115.64 2g0u s HIS 87 Ca 0.00 1.15 -0.18 0.00 -0.15 0.00 0.00 55.06 55.87 2g0u s HIS 87 Cb 0.00 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 30.12 2g0u s HIS 87 CO 0.00 -1.94 0.58 -1.58 -0.85 0.00 0.00 174.74 170.96 2g0u s HIS 88 N 0.60 -0.09 0.00 1.40 5.04 -1.26 -5.04 115.29 115.94 2g0u s HIS 88 Ca 0.60 -0.28 0.00 0.00 -1.54 0.00 0.00 55.06 53.83 2g0u s HIS 88 Cb -0.35 0.47 0.00 0.00 0.04 0.00 0.00 32.58 32.74 2g0u s HIS 88 CO 0.34 -1.03 1.33 1.58 -2.34 0.00 0.00 174.74 174.62 2g0u n HIS 89 N -0.39 0.00 -1.36 3.88 -0.00 -1.26 -4.94 115.22 111.14 2g0u n HIS 89 Ca -0.07 -0.67 -0.33 0.00 0.46 0.00 0.00 57.72 57.12 2g0u n HIS 89 Cb 0.61 -0.41 0.09 0.00 -0.12 0.00 0.00 29.99 30.17 2g0u n HIS 89 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2g0u s HIS 90 N 0.62 2.27 0.02 1.57 -0.00 -1.26 -5.09 115.29 113.42 2g0u s HIS 90 Ca 0.00 1.61 -0.14 0.00 -0.00 0.00 0.00 55.06 56.53 2g0u s HIS 90 Cb 0.00 -3.26 0.02 0.00 -0.00 0.00 0.00 32.58 29.34 2g0u s HIS 90 CO 0.00 -2.18 0.29 -1.58 -0.00 0.00 0.00 174.74 171.27 2g0u s HIS 91 N -2.42 -0.12 -2.00 0.38 2.46 -1.26 -5.28 115.29 107.05 2g0u s HIS 91 Ca 0.68 0.08 0.10 0.00 0.47 0.00 0.00 55.06 56.38 2g0u s HIS 91 Cb -0.23 0.08 0.59 0.00 -0.13 0.00 0.00 32.58 32.90 2g0u s HIS 91 CO 0.49 -0.44 1.04 -2.39 -2.47 0.00 0.00 174.74 170.97