#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 -0.38 0.08 6.12 0.15 -1.26 -5.04 113.70 113.37 2g0u s SER 2 Ca 0.00 0.44 -0.24 0.00 0.70 0.00 0.00 55.95 56.85 2g0u s SER 2 Cb 0.00 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.88 2g0u s SER 2 CO 0.00 -0.43 0.59 0.54 1.20 0.00 0.00 173.24 175.13 2g0u s ASN 3 N -0.96 -0.54 0.64 5.45 4.22 -1.26 -5.18 114.94 117.31 2g0u s ASN 3 Ca -0.10 0.19 -0.10 0.00 -2.14 0.00 0.00 52.86 50.71 2g0u s ASN 3 Cb -0.03 0.55 -0.01 0.00 1.28 0.00 0.00 41.25 43.04 2g0u s ASN 3 CO 0.05 -0.82 1.02 -2.16 -2.04 0.00 0.00 177.10 173.15 2g0u s PRO 4 N -2.85 3.19 1.26 3.55 0.04 -1.26 -4.79 135.00 134.15 2g0u s PRO 4 Ca -0.03 0.48 -0.17 0.00 0.04 0.00 0.00 61.00 61.32 2g0u s PRO 4 Cb -0.01 -2.11 0.30 0.00 0.04 0.00 0.00 34.50 32.73 2g0u s PRO 4 CO -0.05 -0.75 0.83 -2.30 0.04 0.00 0.00 177.00 174.77 2g0u n PRO 5 N -2.80 -3.12 -4.20 0.56 -0.02 -1.26 -4.85 135.00 119.32 2g0u n PRO 5 Ca 0.06 -0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 60.50 2g0u n PRO 5 Cb 0.56 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 2g0u n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2g0u s THR 6 N -2.28 0.95 0.27 3.45 -4.23 -1.26 -5.05 115.64 107.47 2g0u s THR 6 Ca 0.66 -1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 59.06 2g0u s THR 6 Cb -0.20 -1.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.93 2g0u s THR 6 CO 0.62 -0.68 1.04 -2.65 -0.54 0.00 0.00 174.62 172.41 2g0u n PRO 7 N 0.21 1.32 -1.11 3.99 -0.02 -1.26 -4.84 135.00 133.29 2g0u n PRO 7 Ca -0.14 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 2g0u n PRO 7 Cb 0.59 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.18 2g0u n PRO 7 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2g0u n LEU 8 N 1.41 7.35 0.08 2.45 7.94 -1.26 -4.52 117.00 130.45 2g0u n LEU 8 Ca 0.11 -3.82 0.09 0.00 -1.11 0.00 0.00 56.01 51.28 2g0u n LEU 8 Cb 0.31 -1.40 0.55 0.00 0.53 0.00 0.00 43.42 43.41 2g0u n LEU 8 CO 0.60 1.60 1.14 -0.07 -1.11 0.00 0.00 177.39 179.55 2g0u h LEU 9 N 7.25 0.22 -7.15 -1.96 3.38 -1.97 -3.44 115.31 111.63 2g0u h LEU 9 Ca 0.71 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.67 2g0u h LEU 9 Cb 0.32 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 2g0u h LEU 9 CO 1.58 0.15 0.20 0.00 0.09 0.00 0.00 178.44 180.46 2g0u s ALA 10 N -5.26 -1.52 -1.14 1.53 0.00 -1.26 -5.01 121.76 109.10 2g0u s ALA 10 Ca -0.07 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.28 2g0u s ALA 10 Cb 0.18 0.88 0.14 0.00 0.00 0.00 0.00 23.12 24.31 2g0u s ALA 10 CO 0.71 -0.80 1.04 -0.25 0.00 0.00 0.00 175.76 176.46 2g0u n ASP 11 N -0.39 0.00 0.00 0.00 8.00 -1.26 -2.66 116.55 120.24 2g0u n ASP 11 Ca -0.15 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2g0u n ASP 11 Cb 0.64 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2g0u n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g0u n TYR 12 N -1.43 0.00 -0.13 1.24 9.36 -1.26 -4.83 117.16 120.12 2g0u n TYR 12 Ca 0.01 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.20 2g0u n TYR 12 Cb 0.03 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.94 2g0u n TYR 12 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2g0u h GLU 13 N 0.00 0.82 0.00 2.98 4.57 -1.89 -2.23 114.58 118.83 2g0u h GLU 13 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2g0u h GLU 13 Cb 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2g0u h GLU 13 CO 0.00 0.73 0.00 -2.67 -1.18 0.00 0.00 179.01 175.89 2g0u n TRP 14 N -4.28 0.00 0.28 0.92 4.27 -1.26 -4.13 117.44 113.24 2g0u n TRP 14 Ca 0.04 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.81 2g0u n TRP 14 Cb 0.22 -0.35 0.91 0.00 -1.36 0.00 0.00 31.31 30.72 2g0u n TRP 14 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2g0u h SER 15 N 0.00 0.00 -0.06 -0.67 4.64 -1.73 -1.53 113.55 114.19 2g0u h SER 15 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2g0u h SER 15 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2g0u h SER 15 CO 0.00 0.00 0.10 1.23 -0.87 0.00 0.00 176.83 177.29 2g0u h GLY 16 N 0.00 0.00 0.00 -0.77 0.00 -1.83 -0.78 103.07 99.69 2g0u h GLY 16 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2g0u h GLY 16 CO -0.00 0.00 -1.02 -1.72 0.00 0.00 0.00 176.54 173.80 2g0u n TYR 17 N -3.53 0.00 0.20 5.60 4.02 -0.64 -4.57 117.16 118.23 2g0u n TYR 17 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.95 2g0u n TYR 17 Cb 0.19 -0.01 0.31 0.00 -0.02 0.00 0.00 39.34 39.81 2g0u n TYR 17 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2g0u h LEU 18 N 0.00 0.00 0.00 7.72 -0.00 -1.44 -3.33 115.31 118.25 2g0u h LEU 18 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2g0u h LEU 18 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2g0u h LEU 18 CO 0.00 0.30 0.00 1.07 -0.00 0.00 0.00 178.44 179.81 2g0u n THR 19 N -3.34 0.00 0.00 0.22 5.66 -0.30 -0.93 114.28 115.59 2g0u n THR 19 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2g0u n THR 19 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2g0u n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g0u n GLY 20 N -0.00 -0.07 0.17 1.09 0.00 -1.26 -4.90 105.19 100.21 2g0u n GLY 20 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2g0u n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2g0u h ILE 21 N 0.00 0.73 0.14 -0.61 1.08 -1.83 -3.15 117.51 113.86 2g0u h ILE 21 Ca 0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.26 2g0u h ILE 21 Cb 0.00 0.73 0.02 0.00 -3.07 0.00 0.00 36.82 34.50 2g0u h ILE 21 CO 0.00 0.00 -0.90 1.23 -0.69 0.00 0.00 178.15 177.79 2g0u h GLY 22 N -0.31 0.42 2.00 5.37 0.00 -1.61 -3.26 103.07 105.69 2g0u h GLY 22 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.31 2g0u h GLY 22 CO 0.00 0.88 -0.01 0.07 0.00 0.00 0.00 176.54 177.48 2g0u h ARG 23 N -0.22 0.00 0.00 4.80 0.11 -1.17 -3.19 114.38 114.71 2g0u h ARG 23 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 2g0u h ARG 23 Cb 1.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.76 2g0u h ARG 23 CO 0.17 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.25 2g0u n ALA 24 N -2.15 1.93 -0.55 0.08 0.00 -1.19 -0.84 120.51 117.79 2g0u n ALA 24 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.43 2g0u n ALA 24 Cb 0.11 -1.31 0.30 0.00 0.00 0.00 0.00 19.45 18.55 2g0u n ALA 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2g0u n PHE 25 N -1.43 1.16 -0.22 0.00 3.72 -1.20 -4.58 117.46 114.91 2g0u n PHE 25 Ca 0.06 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 2g0u n PHE 25 Cb 0.20 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.90 0.00 0.23 4.37 2.03 -0.32 -4.94 116.55 118.81 2g0u n ASP 26 Ca 0.22 -0.03 0.16 0.00 0.52 0.00 0.00 54.79 55.67 2g0u n ASP 26 Cb 0.77 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.96 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 0.00 0.00 -0.46 1.67 3.58 -1.23 0.14 116.42 120.11 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 27 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2g0u h ASP 27 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2g0u n GLY 28 N -0.75 1.95 0.00 -0.78 0.00 -1.26 -4.51 105.19 99.83 2g0u n GLY 28 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.41 0.00 0.24 1.61 0.31 0.26 -4.73 118.33 117.43 2g0u n VAL 29 Ca 0.19 -0.12 0.16 0.00 -0.01 0.00 0.00 64.34 64.56 2g0u n VAL 29 Cb 0.58 0.62 0.72 0.00 -0.91 0.00 0.00 33.84 34.85 2g0u n VAL 29 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2g0u h LYS 30 N 0.00 0.00 -0.92 5.55 2.10 -1.18 -0.45 116.57 121.67 2g0u h LYS 30 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 2g0u h LYS 30 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 2g0u h LYS 30 CO 0.00 0.00 0.52 0.22 -2.00 0.00 0.00 179.45 178.19 2g0u h ASP 31 N 0.00 0.68 -0.33 7.07 1.82 -1.86 -1.15 116.42 122.65 2g0u h ASP 31 Ca 0.08 0.08 -0.14 0.00 -0.39 0.00 0.00 57.03 56.66 2g0u h ASP 31 Cb 0.97 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 2g0u h ASP 31 CO -0.00 0.29 -0.33 0.25 -1.61 0.00 0.00 179.24 177.84 2g0u h LEU 32 N 0.73 0.91 -1.04 2.28 6.46 -1.44 0.13 115.31 123.33 2g0u h LEU 32 Ca 0.50 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2g0u h LEU 32 Cb 0.68 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 2g0u h LEU 32 CO -0.35 1.15 0.43 -1.13 -0.62 0.00 0.00 178.44 177.92 2g0u h ASN 33 N 0.72 0.98 -0.22 1.25 -0.73 -1.55 -1.27 115.58 114.75 2g0u h ASN 33 Ca 0.07 -0.08 -0.12 0.00 1.87 0.00 0.00 56.30 58.04 2g0u h ASN 33 Cb 0.90 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 2g0u h ASN 33 CO 0.08 0.79 -0.29 0.50 -0.37 0.00 0.00 177.43 178.14 2g0u h LYS 34 N 1.10 0.72 -0.71 6.67 1.63 -0.67 0.11 116.57 125.42 2g0u h LYS 34 Ca 0.28 -0.32 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2g0u h LYS 34 Cb 0.03 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 2g0u h LYS 34 CO -0.04 0.92 0.46 1.96 -3.45 0.00 0.00 179.45 179.30 2g0u h GLN 35 N 0.62 0.90 -0.26 1.90 4.20 -0.76 -0.25 115.11 121.46 2g0u h GLN 35 Ca 0.07 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2g0u h GLN 35 Cb 0.80 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2g0u h GLN 35 CO 0.07 0.60 -0.48 1.25 -0.67 0.00 0.00 178.83 179.59 2g0u h LEU 36 N 0.93 0.75 -0.98 1.46 5.85 -0.92 -1.04 115.31 121.34 2g0u h LEU 36 Ca 0.27 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2g0u h LEU 36 Cb -0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2g0u h LEU 36 CO -0.08 1.10 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.32 2g0u h GLN 37 N 0.54 0.50 -0.66 1.25 -0.00 -0.62 0.13 115.11 116.25 2g0u h GLN 37 Ca 0.03 -0.17 -0.07 0.00 -0.00 0.00 0.00 58.65 58.43 2g0u h GLN 37 Cb 1.03 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.45 2g0u h GLN 37 CO 0.10 0.68 0.13 0.22 0.00 0.00 0.00 178.83 179.95 2g0u h ASP 38 N 0.46 1.02 -0.28 -0.69 3.58 -0.87 0.17 116.42 119.81 2g0u h ASP 38 Ca 0.07 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 2g0u h ASP 38 Cb 0.60 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2g0u h ASP 38 CO 0.04 1.00 0.17 0.00 -2.88 0.00 0.00 179.24 177.57 2g0u h ALA 39 N 1.12 0.36 0.00 -0.78 0.00 -0.72 -1.48 119.26 117.77 2g0u h ALA 39 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2g0u h ALA 39 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2g0u h ALA 39 CO 0.01 -0.13 -0.13 0.37 0.00 0.00 0.00 179.25 179.36 2g0u h GLN 40 N 0.35 0.00 0.19 0.00 4.15 -0.52 0.12 115.11 119.41 2g0u h GLN 40 Ca 0.10 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.22 2g0u h GLN 40 Cb 0.03 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.74 2g0u h GLN 40 CO -0.02 0.13 -1.36 0.00 -1.93 0.00 0.00 178.83 175.65 2g0u h ALA 41 N 1.87 -0.02 -0.49 3.38 0.00 -0.73 0.42 119.26 123.69 2g0u h ALA 41 Ca -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2g0u h ALA 41 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2g0u h ALA 41 CO 0.02 0.85 0.16 -0.97 0.00 0.00 0.00 179.25 179.31 2g0u h ASN 42 N 0.11 0.66 -0.15 0.00 -1.24 -0.73 -0.24 115.58 113.99 2g0u h ASN 42 Ca -0.19 -0.09 -0.13 0.00 0.71 0.00 0.00 56.30 56.60 2g0u h ASN 42 Cb 2.07 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.94 2g0u h ASN 42 CO 0.24 0.63 -0.35 0.25 -1.29 0.00 0.00 177.43 176.90 2g0u h LEU 43 N 0.71 0.69 -0.95 0.34 5.85 -0.81 -2.90 115.31 118.24 2g0u h LEU 43 Ca 0.17 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 2g0u h LEU 43 Cb 0.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2g0u h LEU 43 CO -0.01 0.98 0.18 0.74 -0.34 0.00 0.00 178.44 179.99 2g0u h THR 44 N 0.56 1.24 -0.34 1.05 2.02 0.84 0.23 112.91 118.50 2g0u h THR 44 Ca 0.06 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2g0u h THR 44 Cb 0.86 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2g0u h THR 44 CO 0.07 0.32 0.17 0.11 0.37 0.00 0.00 175.52 176.57 2g0u h LYS 45 N 0.91 0.47 -1.63 6.66 1.57 -1.02 -3.38 116.57 120.16 2g0u h LYS 45 Ca 0.20 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.69 2g0u h LYS 45 Cb 0.28 -0.10 -0.27 0.00 0.08 0.00 0.00 32.23 32.22 2g0u h LYS 45 CO -0.01 0.36 -0.59 1.21 -0.57 0.00 0.00 179.45 179.85 2g0u s ASN 46 N -6.74 0.24 0.61 0.86 3.84 -0.82 -5.07 114.94 107.85 2g0u s ASN 46 Ca -0.08 -1.13 0.26 0.00 0.21 0.00 0.00 52.86 52.12 2g0u s ASN 46 Cb 0.17 1.07 1.26 0.00 -0.55 0.00 0.00 41.25 43.20 2g0u s ASN 46 CO 0.73 -0.25 1.69 -0.65 -2.79 0.00 0.00 177.10 175.83 2g0u h PRO 47 N 7.24 0.00 0.00 0.43 0.11 -0.76 -0.51 132.00 138.51 2g0u h PRO 47 Ca 0.03 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 0.18 0.00 -0.67 -1.13 -0.21 0.00 0.00 178.00 176.18 2g0u n SER 48 N -3.35 1.27 -4.70 -2.05 3.41 -1.26 -4.90 113.62 102.04 2g0u n SER 48 Ca 0.09 -2.79 -0.42 0.00 -0.26 0.00 0.00 58.87 55.49 2g0u n SER 48 Cb 0.85 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.41 6.40 0.34 4.04 -1.08 -0.20 -4.89 116.67 118.87 2g0u s ASP 49 Ca 0.31 2.81 0.15 0.00 -0.52 0.00 0.00 52.55 55.31 2g0u s ASP 49 Cb 0.32 -2.58 0.59 0.00 -1.46 0.00 0.00 42.92 39.79 2g0u s ASP 49 CO -0.09 -1.00 1.71 1.55 0.52 0.00 0.00 175.17 177.86 2g0u h PRO 50 N 7.94 0.00 -0.11 4.34 0.13 -1.97 0.11 132.00 142.44 2g0u h PRO 50 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 2g0u h PRO 50 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2g0u h PRO 50 CO 0.95 0.45 -0.61 1.15 -0.23 0.00 0.00 178.00 179.72 2g0u h THR 51 N 0.00 1.34 -0.79 1.56 2.02 -1.97 0.14 112.91 115.20 2g0u h THR 51 Ca -0.00 -1.90 0.07 0.00 0.77 0.00 0.00 66.41 65.34 2g0u h THR 51 Cb 0.93 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 69.44 2g0u h THR 51 CO 0.06 0.58 0.47 0.00 0.37 0.00 0.00 175.52 177.00 2g0u h ALA 52 N 0.48 1.09 0.14 6.16 0.00 -1.82 0.22 119.26 125.52 2g0u h ALA 52 Ca -0.05 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2g0u h ALA 52 Cb 1.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2g0u h ALA 52 CO 0.13 0.17 -1.25 1.25 0.00 0.00 0.00 179.25 179.55 2g0u h LEU 53 N 0.85 0.49 -0.74 0.00 5.85 -0.81 0.22 115.31 121.16 2g0u h LEU 53 Ca 0.35 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2g0u h LEU 53 Cb 0.21 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2g0u h LEU 53 CO -0.19 1.39 0.43 0.00 -0.34 0.00 0.00 178.44 179.73 2g0u h ALA 54 N 0.54 0.95 0.25 1.25 0.00 -0.58 1.00 119.26 122.68 2g0u h ALA 54 Ca -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2g0u h ALA 54 Cb 1.97 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2g0u h ALA 54 CO 0.21 0.44 -0.12 -0.97 0.00 0.00 0.00 179.25 178.81 2g0u h ASN 55 N 1.02 -0.29 -0.67 0.00 -1.24 -0.47 0.11 115.58 114.04 2g0u h ASN 55 Ca 0.26 -0.18 0.09 0.00 0.71 0.00 0.00 56.30 57.19 2g0u h ASN 55 Cb -0.00 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.05 2g0u h ASN 55 CO -0.05 0.03 0.31 0.22 -1.29 0.00 0.00 177.43 176.66 2g0u h TYR 56 N -0.63 0.56 -0.66 0.67 3.20 -0.93 0.15 116.97 119.33 2g0u h TYR 56 Ca -0.03 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2g0u h TYR 56 Cb 0.45 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2g0u h TYR 56 CO 0.02 0.19 0.12 1.96 -1.64 0.00 0.00 178.16 178.81 2g0u h GLN 57 N 0.54 1.08 -0.24 1.82 1.08 -0.69 0.15 115.11 118.85 2g0u h GLN 57 Ca 0.33 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2g0u h GLN 57 Cb 0.36 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2g0u h GLN 57 CO -0.27 0.99 -0.00 1.98 -0.95 0.00 0.00 178.83 180.57 2g0u h MET 58 N 1.00 0.43 -0.22 1.46 4.05 -0.54 -0.35 114.93 120.77 2g0u h MET 58 Ca 0.20 -0.14 -0.14 0.00 -0.28 0.00 0.00 59.70 59.34 2g0u h MET 58 Cb 0.42 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2g0u h MET 58 CO 0.01 0.61 -0.45 0.82 0.23 0.00 0.00 176.91 178.14 2g0u h ILE 59 N 0.21 1.31 -0.19 1.77 2.04 -0.94 -2.87 117.51 118.83 2g0u h ILE 59 Ca 0.07 -1.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.19 2g0u h ILE 59 Cb 0.42 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2g0u h ILE 59 CO 0.01 0.51 -0.32 -0.03 0.00 0.00 0.00 178.15 178.32 2g0u h MET 60 N 0.44 0.38 -0.77 2.37 4.05 -0.59 0.13 114.93 120.94 2g0u h MET 60 Ca 0.03 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.32 2g0u h MET 60 Cb 0.96 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 2g0u h MET 60 CO 0.09 0.67 0.49 1.03 0.23 0.00 0.00 176.91 179.42 2g0u h SER 61 N 0.33 0.82 -0.26 1.39 0.87 -0.91 0.60 113.55 116.39 2g0u h SER 61 Ca 0.04 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2g0u h SER 61 Cb 0.74 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2g0u h SER 61 CO 0.06 0.57 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.36 2g0u h GLU 62 N 0.97 0.62 -0.60 2.24 4.39 -1.26 -3.22 114.58 117.72 2g0u h GLU 62 Ca 0.30 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2g0u h GLU 62 Cb -0.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2g0u h GLU 62 CO -0.10 0.92 0.31 -0.92 -1.16 0.00 0.00 179.01 178.06 2g0u h TYR 63 N 0.34 0.83 -0.18 4.33 3.20 -0.49 -3.05 116.97 121.95 2g0u h TYR 63 Ca 0.04 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2g0u h TYR 63 Cb 0.79 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2g0u h TYR 63 CO 0.07 0.62 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.95 2g0u h ASN 64 N 0.81 0.35 -0.33 -2.11 -0.73 -0.97 -2.15 115.58 110.45 2g0u h ASN 64 Ca 0.21 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 2g0u h ASN 64 Cb 0.07 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2g0u h ASN 64 CO -0.03 0.63 0.07 0.25 -0.37 0.00 0.00 177.43 177.99 2g0u h LEU 65 N 0.31 0.50 -0.80 0.34 5.85 -1.54 0.65 115.31 120.62 2g0u h LEU 65 Ca 0.04 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2g0u h LEU 65 Cb 0.67 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2g0u h LEU 65 CO 0.05 0.61 -0.11 1.88 -0.34 0.00 0.00 178.44 180.53 2g0u h TYR 66 N 0.37 0.87 -0.57 1.25 -1.99 -1.51 -1.17 116.97 114.22 2g0u h TYR 66 Ca 0.10 -0.16 0.01 0.00 2.00 0.00 0.00 58.73 60.68 2g0u h TYR 66 Cb 0.31 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.79 2g0u h TYR 66 CO 0.02 0.86 0.38 0.00 -0.00 0.00 0.00 178.16 179.41 2g0u h ARG 67 N 0.71 0.75 -0.74 4.88 -0.00 -1.21 -1.70 114.38 117.08 2g0u h ARG 67 Ca 0.12 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.98 59.51 2g0u h ARG 67 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 29.97 30.36 2g0u h ARG 67 CO 0.04 0.49 0.27 -0.97 0.00 0.00 0.00 179.97 179.80 2g0u h ASN 68 N 0.77 1.03 -0.43 7.04 -1.24 -0.61 -0.01 115.58 122.13 2g0u h ASN 68 Ca 0.21 -0.17 -0.09 0.00 0.71 0.00 0.00 56.30 56.96 2g0u h ASN 68 Cb -0.08 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.68 2g0u h ASN 68 CO -0.05 0.93 -0.07 0.00 -1.29 0.00 0.00 177.43 176.95 2g0u h ALA 69 N 1.21 0.59 -0.53 1.57 0.00 -1.02 0.15 119.26 121.22 2g0u h ALA 69 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2g0u h ALA 69 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2g0u h ALA 69 CO -0.02 0.44 0.23 0.37 0.00 0.00 0.00 179.25 180.28 2g0u h GLN 70 N 0.63 0.79 -0.61 0.00 5.75 -1.19 -2.24 115.11 118.24 2g0u h GLN 70 Ca 0.11 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 2g0u h GLN 70 Cb 0.59 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 2g0u h GLN 70 CO 0.04 0.68 0.21 0.77 -2.65 0.00 0.00 178.83 177.87 2g0u h SER 71 N 0.72 0.84 -0.69 -0.69 0.02 -0.86 -2.26 113.55 110.62 2g0u h SER 71 Ca 0.18 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2g0u h SER 71 Cb 0.17 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2g0u h SER 71 CO -0.02 0.77 0.13 0.28 -1.14 0.00 0.00 176.83 176.86 2g0u h SER 72 N 0.89 1.07 -0.77 3.07 0.02 -0.81 0.03 113.55 117.05 2g0u h SER 72 Ca 0.20 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2g0u h SER 72 Cb 0.23 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2g0u h SER 72 CO -0.01 1.05 0.41 0.00 -1.14 0.00 0.00 176.83 177.14 2g0u h ALA 73 N 1.06 0.98 -0.52 3.77 0.00 -1.08 -1.01 119.26 122.47 2g0u h ALA 73 Ca 0.21 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2g0u h ALA 73 Cb 0.42 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2g0u h ALA 73 CO 0.01 0.50 -0.06 0.28 0.00 0.00 0.00 179.25 179.99 2g0u h VAL 74 N 1.06 1.27 -0.87 0.00 2.07 -1.24 -1.09 116.25 117.45 2g0u h VAL 74 Ca 0.27 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2g0u h VAL 74 Cb 0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2g0u h VAL 74 CO -0.04 0.42 0.50 0.50 0.02 0.00 0.00 177.57 178.97 2g0u h LYS 75 N 0.82 1.19 -0.51 1.57 1.63 -0.71 -0.71 116.57 119.85 2g0u h LYS 75 Ca 0.14 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 2g0u h LYS 75 Cb 0.60 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2g0u h LYS 75 CO 0.04 0.84 -0.05 0.77 -3.45 0.00 0.00 179.45 177.60 2g0u h SER 76 N 1.20 0.93 0.02 4.20 0.02 -1.08 -3.11 113.55 115.73 2g0u h SER 76 Ca 0.31 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2g0u h SER 76 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2g0u h SER 76 CO -0.05 1.04 -0.08 -0.03 -1.14 0.00 0.00 176.83 176.56 2g0u h MET 77 N 0.80 0.15 -0.01 3.45 1.85 -0.65 -2.64 114.93 117.88 2g0u h MET 77 Ca 0.14 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 2g0u h MET 77 Cb 0.59 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.59 2g0u h MET 77 CO 0.04 0.24 0.01 -0.22 -0.40 0.00 0.00 176.91 176.57 2g0u h LYS 78 N 0.15 0.00 -0.08 0.39 1.63 -1.07 -1.04 116.57 116.55 2g0u h LYS 78 Ca 0.03 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2g0u h LYS 78 Cb 0.24 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2g0u h LYS 78 CO 0.01 0.00 -0.16 0.22 -3.45 0.00 0.00 179.45 176.07 2g0u h ASP 79 N 0.00 0.12 -0.02 4.20 3.58 -1.56 -1.12 116.42 121.62 2g0u h ASP 79 Ca 0.00 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 2g0u h ASP 79 Cb 0.02 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.04 2g0u h ASP 79 CO -0.00 0.30 -0.35 0.40 -2.88 0.00 0.00 179.24 176.71 2g0u h ILE 80 N 0.12 1.49 -0.08 2.25 2.04 -1.34 -3.29 117.51 118.70 2g0u h ILE 80 Ca 0.02 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 63.99 2g0u h ILE 80 Cb 0.37 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2g0u h ILE 80 CO 0.02 0.54 0.06 -0.78 0.00 0.00 0.00 178.15 177.99 2g0u h ASP 81 N -0.32 0.00 -0.09 1.72 3.58 -1.19 -1.65 116.42 118.46 2g0u h ASP 81 Ca -0.04 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.44 2g0u h ASP 81 Cb 1.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2g0u h ASP 81 CO 0.07 0.00 0.21 -1.28 -2.88 0.00 0.00 179.24 175.36 2g0u h SER 82 N 0.00 0.00 0.00 2.28 0.87 -1.28 -2.26 113.55 113.16 2g0u h SER 82 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2g0u h SER 82 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2g0u h SER 82 CO -0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 2g0u n SER 83 N -3.32 0.00 -4.61 6.23 7.64 -0.62 -4.94 113.62 114.00 2g0u n SER 83 Ca -0.00 -1.22 -0.43 0.00 1.01 0.00 0.00 58.87 58.23 2g0u n SER 83 Cb 0.30 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2g0u n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g0u n ILE 84 N -0.83 2.14 0.37 0.44 0.13 -0.85 -4.92 119.36 115.84 2g0u n ILE 84 Ca 0.14 -0.50 0.14 0.00 -1.10 0.00 0.00 62.75 61.43 2g0u n ILE 84 Cb 0.06 -1.13 0.52 0.00 -0.84 0.00 0.00 39.64 38.26 2g0u n ILE 84 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2g0u h LEU 85 N 1.88 0.00-10.28 9.51 3.38 -1.92 -3.46 115.31 114.42 2g0u h LEU 85 Ca -0.42 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.04 2g0u h LEU 85 Cb 1.33 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.20 2g0u h LEU 85 CO 0.59 0.00 0.34 -1.61 0.09 0.00 0.00 178.44 177.85 2g0u s GLU 86 N -3.40 2.53 0.89 1.13 2.02 -1.26 -5.05 118.70 115.54 2g0u s GLU 86 Ca 0.04 1.21 -0.10 0.00 0.02 0.00 0.00 54.97 56.14 2g0u s GLU 86 Cb 0.09 -1.93 0.13 0.00 0.10 0.00 0.00 34.13 32.52 2g0u s GLU 86 CO 0.49 -1.44 1.12 -1.01 0.02 0.00 0.00 175.26 174.44 2g0u s HIS 87 N -2.74 1.95 0.06 1.61 3.76 -1.26 -5.09 115.29 113.59 2g0u s HIS 87 Ca 0.63 1.64 -0.09 0.00 -0.15 0.00 0.00 55.06 57.09 2g0u s HIS 87 Cb -0.18 -3.22 -0.00 0.00 1.11 0.00 0.00 32.58 30.29 2g0u s HIS 87 CO 0.51 -2.54 0.18 -3.38 -0.85 0.00 0.00 174.74 168.67 2g0u s HIS 88 N -2.74 0.12 0.70 1.40 -3.43 -1.26 -5.18 115.29 104.90 2g0u s HIS 88 Ca 0.65 -0.45 -0.11 0.00 -0.80 0.00 0.00 55.06 54.35 2g0u s HIS 88 Cb -0.21 -0.06 0.01 0.00 -1.43 0.00 0.00 32.58 30.90 2g0u s HIS 88 CO 0.58 -0.48 1.07 -1.58 -2.00 0.00 0.00 174.74 172.32 2g0u s HIS 89 N -3.21 2.97 0.64 0.38 2.46 -1.26 -4.95 115.29 112.32 2g0u s HIS 89 Ca -0.00 1.46 0.34 0.00 0.47 0.00 0.00 55.06 57.33 2g0u s HIS 89 Cb 0.02 -2.94 1.87 0.00 -0.13 0.00 0.00 32.58 31.40 2g0u s HIS 89 CO -0.07 -1.35 2.10 0.45 -2.47 0.00 0.00 174.74 173.39 2g0u h HIS 90 N -0.67 0.00 -0.63 3.88 3.86 -2.08 -1.65 115.15 117.87 2g0u h HIS 90 Ca -0.44 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.85 2g0u h HIS 90 Cb 1.22 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.65 2g0u h HIS 90 CO 0.61 0.00 0.42 1.25 0.86 0.00 0.00 177.93 181.06 2g0u h HIS 91 N 0.00 0.54 0.00 2.45 -0.00 -2.07 -3.58 115.15 112.48 2g0u h HIS 91 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2g0u h HIS 91 Cb 0.45 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2g0u h HIS 91 CO 0.00 0.27 0.00 1.58 -0.00 0.00 0.00 177.93 179.78