#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g0u h SER 2 N 0.00 0.00 -5.03 3.17 0.02 -2.14 -3.46 113.55 106.11 2g0u h SER 2 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2g0u h SER 2 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2g0u h SER 2 CO 0.00 0.36 0.10 0.54 -1.14 0.00 0.00 176.83 176.69 2g0u s ASN 3 N -6.47 -0.44 0.74 3.07 4.22 -1.26 -5.18 114.94 109.62 2g0u s ASN 3 Ca -0.00 -0.10 -0.11 0.00 -2.14 0.00 0.00 52.86 50.51 2g0u s ASN 3 Cb 0.12 0.55 0.04 0.00 1.28 0.00 0.00 41.25 43.23 2g0u s ASN 3 CO 0.68 -0.91 1.08 -2.16 -2.04 0.00 0.00 177.10 173.75 2g0u s PRO 4 N -3.66 2.54 0.99 3.55 0.04 -1.26 -5.08 135.00 132.11 2g0u s PRO 4 Ca 0.01 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 2g0u s PRO 4 Cb 0.00 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.77 2g0u s PRO 4 CO -0.12 -1.35 1.16 -1.25 0.04 0.00 0.00 177.00 175.48 2g0u s PRO 5 N -5.09 0.49 0.09 0.56 0.04 -1.26 -5.12 135.00 124.72 2g0u s PRO 5 Ca 0.59 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.78 2g0u s PRO 5 Cb -0.14 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2g0u s PRO 5 CO 0.55 -2.60 -0.09 0.95 0.04 0.00 0.00 177.00 175.85 2g0u s THR 6 N -3.29 0.82 0.40 1.26 -4.23 -1.26 -5.08 115.64 104.26 2g0u s THR 6 Ca 0.67 -1.70 0.17 0.00 -1.18 0.00 0.00 61.69 59.65 2g0u s THR 6 Cb -0.12 -1.41 0.38 0.00 1.34 0.00 0.00 72.50 72.69 2g0u s THR 6 CO 0.54 -0.66 1.81 -0.65 -0.54 0.00 0.00 174.62 175.12 2g0u h PRO 7 N 3.42 0.42 -0.29 3.99 0.11 -2.01 -1.37 132.00 136.26 2g0u h PRO 7 Ca -0.36 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.81 2g0u h PRO 7 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2g0u h PRO 7 CO 0.56 0.28 0.38 1.25 -0.21 0.00 0.00 178.00 180.26 2g0u h LEU 8 N 0.43 0.00 -1.42 2.35 5.85 -2.00 -0.36 115.31 120.16 2g0u h LEU 8 Ca 0.54 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 2g0u h LEU 8 Cb 1.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 2g0u h LEU 8 CO -0.25 0.00 0.20 0.25 -0.34 0.00 0.00 178.44 178.31 2g0u h LEU 9 N 0.00 0.53 0.00 2.25 5.85 -1.68 -3.42 115.31 118.85 2g0u h LEU 9 Ca 0.14 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2g0u h LEU 9 Cb 0.89 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2g0u h LEU 9 CO -0.00 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.56 2g0u n ALA 10 N -2.47 0.00 0.33 1.25 0.00 -0.82 -4.98 120.51 113.81 2g0u n ALA 10 Ca 0.03 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.68 2g0u n ALA 10 Cb 0.12 0.00 1.10 0.00 0.00 0.00 0.00 19.45 20.67 2g0u n ALA 10 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2g0u h ASP 11 N 0.00 0.00 0.03 0.00 3.58 -1.33 -1.69 116.42 117.01 2g0u h ASP 11 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g0u h ASP 11 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2g0u h ASP 11 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2g0u n TYR 12 N -3.19 0.00 0.27 0.28 0.18 -1.26 -4.50 117.16 108.94 2g0u n TYR 12 Ca -0.03 0.00 0.17 0.00 1.88 0.00 0.00 57.90 59.92 2g0u n TYR 12 Cb 0.14 -0.02 0.79 0.00 -0.38 0.00 0.00 39.34 39.87 2g0u n TYR 12 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 2g0u h GLU 13 N 0.00 0.00 0.00 -3.48 4.11 -1.72 -0.64 114.58 112.85 2g0u h GLU 13 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2g0u h GLU 13 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2g0u h GLU 13 CO 0.00 0.00 -0.07 0.11 0.07 0.00 0.00 179.01 179.12 2g0u h TRP 14 N 0.00 0.00 -1.69 2.06 5.08 -1.87 -3.45 115.95 116.08 2g0u h TRP 14 Ca 0.06 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.41 2g0u h TRP 14 Cb 0.79 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.95 2g0u h TRP 14 CO 0.00 0.07 1.48 0.45 -1.28 0.00 0.00 178.44 179.15 2g0u n SER 15 N -3.58 2.89 0.00 0.11 2.88 -0.25 -2.73 113.62 112.94 2g0u n SER 15 Ca -0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2g0u n SER 15 Cb 0.18 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 2g0u n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2g0u n GLY 16 N 6.03 1.34 0.28 0.46 0.00 -1.26 -5.00 105.19 107.04 2g0u n GLY 16 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2g0u n GLY 16 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2g0u h TYR 17 N 0.00 0.00 -3.38 1.61 -0.00 -1.89 -3.42 116.97 109.89 2g0u h TYR 17 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.55 2g0u h TYR 17 Cb 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 36.73 36.48 2g0u h TYR 17 CO 0.00 0.03 -0.52 -1.17 -0.00 0.00 0.00 178.16 176.50 2g0u s LEU 18 N -8.05 1.42 0.00 0.10 2.96 -1.26 -5.09 118.68 108.76 2g0u s LEU 18 Ca -0.05 0.21 0.14 0.00 -0.22 0.00 0.00 54.13 54.21 2g0u s LEU 18 Cb 0.15 0.58 0.23 0.00 0.50 0.00 0.00 46.19 47.66 2g0u s LEU 18 CO 0.59 -0.12 1.08 1.07 -1.32 0.00 0.00 176.35 177.65 2g0u n THR 19 N 2.65 0.00 -3.65 3.68 5.66 -1.26 -4.97 114.28 116.39 2g0u n THR 19 Ca -0.15 -0.54 -0.25 0.00 -3.05 0.00 0.00 64.05 60.06 2g0u n THR 19 Cb 0.58 0.76 0.06 0.00 -1.55 0.00 0.00 70.33 70.18 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 0.27 -0.54 0.00 1.09 0.00 -1.26 -4.12 105.19 100.63 2g0u n GLY 20 Ca -0.08 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2g0u n GLY 20 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2g0u n ILE 21 N -4.91 0.00 0.00 -0.61 3.06 -1.26 -4.67 119.36 110.96 2g0u n ILE 21 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2g0u n ILE 21 Cb 0.55 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.73 2g0u n ILE 21 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2g0u n GLY 22 N -0.00 0.00 0.08 4.50 0.00 -1.26 -4.79 105.19 103.72 2g0u n GLY 22 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2g0u n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2g0u n ARG 23 N -1.40 0.06 0.26 1.61 3.00 -1.26 -1.77 116.66 117.16 2g0u n ARG 23 Ca 0.00 0.55 0.17 0.00 -0.00 0.00 0.00 57.85 58.57 2g0u n ARG 23 Cb 0.08 -1.74 0.80 0.00 0.00 0.00 0.00 32.46 31.61 2g0u n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2g0u h ALA 24 N 1.90 1.00 0.00 5.13 0.00 -1.92 -1.54 119.26 123.83 2g0u h ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g0u h ALA 24 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2g0u h ALA 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2g0u n PHE 25 N -2.82 0.00 -1.42 0.00 3.72 -0.73 -3.21 117.46 113.00 2g0u n PHE 25 Ca -0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.42 2g0u n PHE 25 Cb 0.18 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.77 0.78 0.03 4.37 2.03 -0.59 -4.94 116.55 117.46 2g0u n ASP 26 Ca 0.12 -2.11 0.17 0.00 0.52 0.00 0.00 54.79 53.49 2g0u n ASP 26 Cb 0.06 -0.21 0.66 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.05 0.43 1.67 3.58 -1.49 0.16 116.42 120.82 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 1.15 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2g0u h ASP 27 CO 0.00 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2g0u n GLY 28 N -1.61 -1.02 0.00 -0.78 0.00 -1.26 -3.31 105.19 97.22 2g0u n GLY 28 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.95 0.00 -0.30 1.61 0.31 0.12 -4.74 118.33 113.39 2g0u n VAL 29 Ca 0.01 -0.22 0.26 0.00 -0.01 0.00 0.00 64.34 64.38 2g0u n VAL 29 Cb 0.14 0.92 0.58 0.00 -0.91 0.00 0.00 33.84 34.57 2g0u n VAL 29 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2g0u h LYS 30 N 0.00 0.26 -0.46 5.55 3.64 -0.79 0.33 116.57 125.12 2g0u h LYS 30 Ca 0.00 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 2g0u h LYS 30 Cb 0.00 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 2g0u h LYS 30 CO 0.00 0.17 0.01 0.22 -2.27 0.00 0.00 179.45 177.58 2g0u h ASP 31 N 0.27 -0.18 0.64 4.20 3.58 -1.85 0.14 116.42 123.22 2g0u h ASP 31 Ca 0.56 0.11 -0.26 0.00 0.42 0.00 0.00 57.03 57.86 2g0u h ASP 31 Cb 1.66 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.90 2g0u h ASP 31 CO -0.20 -0.05 -1.17 0.25 -2.88 0.00 0.00 179.24 175.19 2g0u h LEU 32 N 0.12 0.39 -0.98 2.28 6.46 -1.35 -2.83 115.31 119.39 2g0u h LEU 32 Ca 0.23 -0.40 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 2g0u h LEU 32 Cb 0.33 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 2g0u h LEU 32 CO -0.37 1.29 0.23 -1.13 -0.62 0.00 0.00 178.44 177.84 2g0u h ASN 33 N 0.08 0.89 -0.53 1.25 -0.73 -0.90 -0.17 115.58 115.48 2g0u h ASN 33 Ca -0.11 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 57.84 2g0u h ASN 33 Cb 1.89 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 40.23 2g0u h ASN 33 CO 0.19 0.82 0.02 0.50 -0.37 0.00 0.00 177.43 178.58 2g0u h LYS 34 N 0.94 0.92 -0.82 6.67 3.64 -1.00 0.60 116.57 127.51 2g0u h LYS 34 Ca 0.22 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2g0u h LYS 34 Cb 0.22 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2g0u h LYS 34 CO -0.01 0.93 0.49 1.96 -2.27 0.00 0.00 179.45 180.54 2g0u h GLN 35 N 0.79 1.12 -0.15 1.90 4.20 -1.21 -0.02 115.11 121.73 2g0u h GLN 35 Ca 0.15 -0.11 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 2g0u h GLN 35 Cb 0.50 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2g0u h GLN 35 CO 0.02 0.80 -0.66 1.25 -0.67 0.00 0.00 178.83 179.57 2g0u h LEU 36 N 1.13 0.68 -1.07 1.46 5.85 -0.89 -0.69 115.31 121.78 2g0u h LEU 36 Ca 0.29 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 2g0u h LEU 36 Cb -0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2g0u h LEU 36 CO -0.05 1.16 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.40 2g0u h GLN 37 N 0.43 0.44 -0.36 1.25 4.15 -0.73 0.60 115.11 120.88 2g0u h GLN 37 Ca -0.02 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 2g0u h GLN 37 Cb 1.24 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2g0u h GLN 37 CO 0.12 0.61 -0.20 0.22 -1.93 0.00 0.00 178.83 177.66 2g0u h ASP 38 N 0.40 0.69 -0.36 -0.69 3.58 -0.82 0.12 116.42 119.33 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 0.56 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2g0u h ASP 38 CO 0.04 0.89 0.23 0.00 -2.88 0.00 0.00 179.24 177.52 2g0u h ALA 39 N 1.17 0.46 0.00 -0.78 0.00 -0.64 0.00 119.26 119.47 2g0u h ALA 39 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2g0u h ALA 39 Cb 0.67 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2g0u h ALA 39 CO 0.05 -0.07 -0.15 0.37 0.00 0.00 0.00 179.25 179.45 2g0u h GLN 40 N 0.49 0.00 0.21 0.00 4.15 -0.61 0.12 115.11 119.46 2g0u h GLN 40 Ca 0.13 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.24 2g0u h GLN 40 Cb -0.04 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.67 2g0u h GLN 40 CO -0.03 0.15 -1.40 0.00 -1.93 0.00 0.00 178.83 175.61 2g0u h ALA 41 N 1.85 -0.07 -0.20 3.38 0.00 -0.37 0.43 119.26 124.28 2g0u h ALA 41 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2g0u h ALA 41 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2g0u h ALA 41 CO 0.02 0.79 -0.02 -0.91 0.00 0.00 0.00 179.25 179.14 2g0u h ASN 42 N 0.12 0.28 0.07 0.00 2.35 -0.59 -0.66 115.58 117.15 2g0u h ASN 42 Ca -0.22 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.31 2g0u h ASN 42 Cb 2.11 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 40.40 2g0u h ASN 42 CO 0.25 0.35 -0.67 0.25 -1.65 0.00 0.00 177.43 175.96 2g0u h LEU 43 N 0.30 0.64 -0.99 1.61 5.85 -0.80 -3.16 115.31 118.75 2g0u h LEU 43 Ca 0.07 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 2g0u h LEU 43 Cb 0.23 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2g0u h LEU 43 CO 0.01 1.14 0.23 0.74 -0.34 0.00 0.00 178.44 180.21 2g0u h THR 44 N 0.40 1.23 -0.24 1.05 2.02 0.10 0.23 112.91 117.71 2g0u h THR 44 Ca -0.02 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2g0u h THR 44 Cb 1.25 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2g0u h THR 44 CO 0.13 0.30 0.09 0.11 0.37 0.00 0.00 175.52 176.51 2g0u h LYS 45 N 0.93 0.33 -1.61 6.66 1.57 -1.21 -3.38 116.57 119.87 2g0u h LYS 45 Ca 0.21 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.71 2g0u h LYS 45 Cb 0.22 -0.07 -0.27 0.00 0.08 0.00 0.00 32.23 32.20 2g0u h LYS 45 CO -0.01 0.28 -0.59 1.21 -0.57 0.00 0.00 179.45 179.77 2g0u s ASN 46 N -6.83 0.19 0.61 0.86 3.84 -0.73 -5.07 114.94 107.80 2g0u s ASN 46 Ca -0.07 -1.20 0.27 0.00 0.21 0.00 0.00 52.86 52.07 2g0u s ASN 46 Cb 0.17 1.08 1.27 0.00 -0.55 0.00 0.00 41.25 43.21 2g0u s ASN 46 CO 0.72 -0.24 1.69 -0.65 -2.79 0.00 0.00 177.10 175.83 2g0u h PRO 47 N 7.15 0.00 0.00 0.43 0.11 -0.75 -0.58 132.00 138.36 2g0u h PRO 47 Ca 0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 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 0.17 0.00 -0.67 -1.13 -0.21 0.00 0.00 178.00 176.16 2g0u n SER 48 N -3.37 1.31 -4.69 -2.05 3.41 -1.26 -4.89 113.62 102.08 2g0u n SER 48 Ca 0.10 -2.86 -0.42 0.00 -0.26 0.00 0.00 58.87 55.42 2g0u n SER 48 Cb 0.85 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2g0u n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2g0u n ASP 49 N -0.38 4.07 0.19 4.04 -0.08 -0.23 -4.89 116.55 119.27 2g0u n ASP 49 Ca 0.11 0.98 0.05 0.00 -1.51 0.00 0.00 54.79 54.42 2g0u n ASP 49 Cb 0.87 -1.54 0.38 0.00 2.34 0.00 0.00 41.12 43.17 2g0u n ASP 49 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2g0u h PRO 50 N 8.83 0.00 0.03 -0.67 0.13 -1.96 0.13 132.00 138.49 2g0u h PRO 50 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 2g0u h PRO 50 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2g0u h PRO 50 CO 0.95 0.36 -1.02 1.15 -0.23 0.00 0.00 178.00 179.20 2g0u h THR 51 N 0.00 1.31 -0.80 1.56 2.02 -1.97 0.11 112.91 115.14 2g0u h THR 51 Ca -0.00 -2.28 0.06 0.00 0.77 0.00 0.00 66.41 64.96 2g0u h THR 51 Cb 0.78 2.51 -0.06 0.00 -1.74 0.00 0.00 68.15 69.65 2g0u h THR 51 CO 0.05 0.70 0.48 0.00 0.37 0.00 0.00 175.52 177.11 2g0u h ALA 52 N 0.35 1.09 0.10 6.16 0.00 -1.80 0.23 119.26 125.39 2g0u h ALA 52 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 2g0u h ALA 52 Cb 1.70 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.30 2g0u h ALA 52 CO 0.20 0.20 -1.17 1.25 0.00 0.00 0.00 179.25 179.73 2g0u h LEU 53 N 0.87 0.47 -0.73 0.00 5.85 -0.78 0.25 115.31 121.24 2g0u h LEU 53 Ca 0.35 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2g0u h LEU 53 Cb 0.19 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2g0u h LEU 53 CO -0.18 1.33 0.36 0.00 -0.34 0.00 0.00 178.44 179.61 2g0u h ALA 54 N 0.61 0.93 0.31 1.25 0.00 -0.64 0.92 119.26 122.64 2g0u h ALA 54 Ca -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2g0u h ALA 54 Cb 1.87 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2g0u h ALA 54 CO 0.20 0.49 -0.15 -0.97 0.00 0.00 0.00 179.25 178.81 2g0u h ASN 55 N 1.01 -0.36 -0.67 0.00 -1.24 -0.41 0.60 115.58 114.51 2g0u h ASN 55 Ca 0.25 -0.13 0.08 0.00 0.71 0.00 0.00 56.30 57.21 2g0u h ASN 55 Cb 0.10 0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.18 2g0u h ASN 55 CO -0.03 -0.06 0.33 0.22 -1.29 0.00 0.00 177.43 176.60 2g0u h TYR 56 N -0.67 0.60 -0.47 0.67 5.03 -0.94 0.03 116.97 121.21 2g0u h TYR 56 Ca -0.04 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 2g0u h TYR 56 Cb 0.47 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 2g0u h TYR 56 CO 0.01 0.24 -0.10 1.96 -1.32 0.00 0.00 178.16 178.95 2g0u h GLN 57 N 0.59 0.86 -0.09 1.82 1.08 -0.70 0.11 115.11 118.79 2g0u h GLN 57 Ca 0.32 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2g0u h GLN 57 Cb 0.30 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2g0u h GLN 57 CO -0.24 0.92 -0.00 1.98 -0.95 0.00 0.00 178.83 180.53 2g0u h MET 58 N 0.77 0.15 -0.33 1.46 4.05 -0.48 -0.06 114.93 120.49 2g0u h MET 58 Ca 0.13 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 2g0u h MET 58 Cb 0.60 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2g0u h MET 58 CO 0.04 0.41 -0.28 0.82 0.23 0.00 0.00 176.91 178.13 2g0u h ILE 59 N -0.13 1.28 -0.22 1.77 2.04 -0.97 -2.39 117.51 118.89 2g0u h ILE 59 Ca 0.02 -1.39 -0.11 0.00 1.00 0.00 0.00 64.86 64.38 2g0u h ILE 59 Cb 0.35 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2g0u h ILE 59 CO 0.00 0.45 -0.35 -0.03 0.00 0.00 0.00 178.15 178.23 2g0u h MET 60 N 0.58 0.47 -0.21 2.37 4.05 -0.72 0.19 114.93 121.67 2g0u h MET 60 Ca 0.07 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2g0u h MET 60 Cb 0.78 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2g0u h MET 60 CO 0.06 0.76 0.13 1.03 0.23 0.00 0.00 176.91 179.12 2g0u h SER 61 N 0.40 0.23 -0.44 1.39 0.87 -0.83 0.64 113.55 115.81 2g0u h SER 61 Ca 0.04 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2g0u h SER 61 Cb 0.80 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2g0u h SER 61 CO 0.06 0.17 0.10 -0.08 -0.53 0.00 0.00 176.83 176.55 2g0u h GLU 62 N 0.27 0.71 -0.21 2.24 4.81 -1.22 -2.18 114.58 119.01 2g0u h GLU 62 Ca 0.08 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2g0u h GLU 62 Cb -0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2g0u h GLU 62 CO -0.02 0.72 0.13 -0.92 -0.73 0.00 0.00 179.01 178.19 2g0u h TYR 63 N 0.58 0.25 -0.50 0.92 3.20 -0.49 -0.68 116.97 120.26 2g0u h TYR 63 Ca 0.14 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 2g0u h TYR 63 Cb 0.33 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2g0u h TYR 63 CO 0.02 0.15 -0.04 -0.97 -1.64 0.00 0.00 178.16 175.69 2g0u h ASN 64 N 0.27 0.85 -0.65 -2.11 -0.73 -0.87 -1.94 115.58 110.40 2g0u h ASN 64 Ca 0.08 -0.23 -0.06 0.00 1.87 0.00 0.00 56.30 57.96 2g0u h ASN 64 Cb -0.02 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 2g0u h ASN 64 CO -0.03 0.93 0.16 0.25 -0.37 0.00 0.00 177.43 178.37 2g0u h LEU 65 N 0.80 1.00 -0.49 0.34 5.85 -1.13 -0.22 115.31 121.45 2g0u h LEU 65 Ca 0.14 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2g0u h LEU 65 Cb 0.53 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2g0u h LEU 65 CO 0.03 0.96 0.19 1.88 -0.34 0.00 0.00 178.44 181.16 2g0u h TYR 66 N 1.01 0.76 -0.58 1.25 -1.99 -0.79 0.80 116.97 117.43 2g0u h TYR 66 Ca 0.21 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 2g0u h TYR 66 Cb 0.35 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 2g0u h TYR 66 CO 0.03 0.64 0.35 0.00 -0.00 0.00 0.00 178.16 179.18 2g0u h ARG 67 N 0.66 0.78 -0.43 4.88 -0.00 -1.20 -2.78 114.38 116.29 2g0u h ARG 67 Ca 0.16 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.57 2g0u h ARG 67 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 2g0u h ARG 67 CO -0.01 0.55 0.24 -0.97 0.00 0.00 0.00 179.97 179.78 2g0u h ASN 68 N 0.78 0.54 -0.11 7.04 -0.73 -0.87 -3.23 115.58 119.00 2g0u h ASN 68 Ca 0.21 -0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 2g0u h ASN 68 Cb -0.03 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2g0u h ASN 68 CO -0.04 0.47 -0.05 0.00 -0.37 0.00 0.00 177.43 177.44 2g0u h ALA 69 N 1.09 1.46 -0.40 1.57 0.00 -0.65 0.40 119.26 122.74 2g0u h ALA 69 Ca 0.15 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2g0u h ALA 69 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2g0u h ALA 69 CO -0.02 0.38 0.28 0.37 0.00 0.00 0.00 179.25 180.25 2g0u h GLN 70 N 0.36 0.15 0.02 0.00 5.75 -1.51 -0.79 115.11 119.10 2g0u h GLN 70 Ca 0.08 -0.01 -0.37 0.00 -0.15 0.00 0.00 58.65 58.19 2g0u h GLN 70 Cb 0.33 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.79 2g0u h GLN 70 CO 0.01 0.10 -2.33 0.43 -2.65 0.00 0.00 178.83 174.40 2g0u n SER 71 N -4.46 1.49 -0.13 -0.69 7.64 -0.80 -4.26 113.62 112.41 2g0u n SER 71 Ca 0.06 -0.01 -0.01 0.00 1.01 0.00 0.00 58.87 59.92 2g0u n SER 71 Cb 0.36 -0.15 0.24 0.00 -1.01 0.00 0.00 64.21 63.66 2g0u n SER 71 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2g0u h SER 72 N 0.01 0.74 -0.57 6.43 0.87 -0.79 -1.42 113.55 118.83 2g0u h SER 72 Ca -0.53 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 59.92 2g0u h SER 72 Cb 2.01 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.75 2g0u h SER 72 CO -0.02 0.66 0.24 0.00 -0.53 0.00 0.00 176.83 177.18 2g0u h ALA 73 N 1.45 0.74 -0.47 6.23 0.00 -1.36 0.36 119.26 126.20 2g0u h ALA 73 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2g0u h ALA 73 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2g0u h ALA 73 CO -0.02 0.34 -0.01 0.28 0.00 0.00 0.00 179.25 179.84 2g0u h VAL 74 N 0.78 1.26 0.15 0.00 2.07 -1.66 -1.13 116.25 117.72 2g0u h VAL 74 Ca 0.19 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2g0u h VAL 74 Cb 0.18 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2g0u h VAL 74 CO -0.02 0.38 -0.08 0.50 0.02 0.00 0.00 177.57 178.36 2g0u h LYS 75 N 0.69 -0.21 -0.82 1.57 1.63 -1.19 -3.20 116.57 115.03 2g0u h LYS 75 Ca 0.13 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 2g0u h LYS 75 Cb 0.52 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 2g0u h LYS 75 CO 0.03 -0.14 0.54 0.77 -3.45 0.00 0.00 179.45 177.20 2g0u h SER 76 N -0.22 0.92 -0.47 4.20 0.02 -0.72 0.55 113.55 117.83 2g0u h SER 76 Ca -0.02 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2g0u h SER 76 Cb 0.18 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2g0u h SER 76 CO 0.03 0.65 0.22 -0.03 -1.14 0.00 0.00 176.83 176.56 2g0u h MET 77 N 1.08 0.42 -0.11 3.45 1.85 -1.22 -0.77 114.93 119.64 2g0u h MET 77 Ca 0.31 -0.03 -0.21 0.00 -0.61 0.00 0.00 59.70 59.17 2g0u h MET 77 Cb -0.07 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 31.87 2g0u h MET 77 CO -0.08 0.28 -0.77 0.87 -0.40 0.00 0.00 176.91 176.81 2g0u h LYS 78 N 0.44 0.59 -0.25 0.39 1.57 -1.41 -2.87 116.57 115.03 2g0u h LYS 78 Ca 0.21 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2g0u h LYS 78 Cb 0.14 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2g0u h LYS 78 CO -0.16 1.12 0.08 0.22 -0.57 0.00 0.00 179.45 180.14 2g0u h ASP 79 N 0.40 0.35 -0.24 0.86 1.82 -0.64 -1.86 116.42 117.10 2g0u h ASP 79 Ca -0.05 -0.19 -0.10 0.00 -0.39 0.00 0.00 57.03 56.31 2g0u h ASP 79 Cb 1.38 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.28 2g0u h ASP 79 CO 0.15 0.45 -0.17 0.40 -1.61 0.00 0.00 179.24 178.46 2g0u h ILE 80 N 0.23 1.26 -0.19 2.25 1.08 -1.25 0.87 117.51 121.76 2g0u h ILE 80 Ca 0.08 -1.21 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 2g0u h ILE 80 Cb 0.22 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2g0u h ILE 80 CO -0.00 0.40 -0.10 -0.78 -0.69 0.00 0.00 178.15 176.97 2g0u h ASP 81 N 0.61 0.29 0.38 1.72 3.58 -1.29 -2.21 116.42 119.49 2g0u h ASP 81 Ca 0.10 -0.06 -0.32 0.00 0.42 0.00 0.00 57.03 57.17 2g0u h ASP 81 Cb 0.62 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2g0u h ASP 81 CO 0.04 0.43 -1.66 -1.28 -2.88 0.00 0.00 179.24 173.88 2g0u h SER 82 N 0.29 0.35 -1.88 2.28 0.87 -1.14 -3.43 113.55 110.89 2g0u h SER 82 Ca 0.06 -0.57 -0.54 0.00 -1.23 0.00 0.00 61.79 59.51 2g0u h SER 82 Cb 0.37 -0.12 -0.37 0.00 -0.44 0.00 0.00 62.40 61.84 2g0u h SER 82 CO 0.02 1.49 -1.06 -1.20 -0.53 0.00 0.00 176.83 175.55 2g0u n SER 83 N -3.41 -0.08 0.14 6.23 7.64 0.28 -5.00 113.62 119.42 2g0u n SER 83 Ca -0.20 -2.72 0.18 0.00 1.01 0.00 0.00 58.87 57.14 2g0u n SER 83 Cb 1.05 -0.46 0.77 0.00 -1.01 0.00 0.00 64.21 64.55 2g0u n SER 83 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2g0u h ILE 84 N 2.22 0.57 -4.01 0.44 -0.00 -1.61 -3.40 117.51 111.72 2g0u h ILE 84 Ca 0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 64.86 64.74 2g0u h ILE 84 Cb 0.89 0.80 -0.19 0.00 -0.00 0.00 0.00 36.82 38.32 2g0u h ILE 84 CO 0.44 0.00 -0.70 -0.22 -0.00 0.00 0.00 178.15 177.67 2g0u s LEU 85 N -7.99 2.33 0.31 2.19 2.96 -1.26 -5.01 118.68 112.20 2g0u s LEU 85 Ca -0.05 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 2g0u s LEU 85 Cb 0.17 0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.86 2g0u s LEU 85 CO 0.60 -0.36 0.18 -1.61 -1.32 0.00 0.00 176.35 173.84 2g0u s GLU 86 N -2.30 1.61 0.65 1.98 2.02 -1.26 -5.16 118.70 116.24 2g0u s GLU 86 Ca -0.06 -1.92 -0.17 0.00 0.02 0.00 0.00 54.97 52.83 2g0u s GLU 86 Cb -0.04 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.17 2g0u s GLU 86 CO -0.03 -0.49 0.93 -2.39 0.02 0.00 0.00 175.26 173.30 2g0u n HIS 87 N -0.58 0.64 0.60 1.61 1.44 -1.26 -4.94 115.22 112.73 2g0u n HIS 87 Ca 0.02 0.41 0.04 0.00 -2.01 0.00 0.00 57.72 56.19 2g0u n HIS 87 Cb 0.64 -2.10 0.16 0.00 0.12 0.00 0.00 29.99 28.81 2g0u n HIS 87 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2g0u n HIS 88 N -2.06 0.66 -1.66 -1.40 1.44 -1.26 -4.98 115.22 105.95 2g0u n HIS 88 Ca 0.13 -0.26 -0.38 0.00 -2.01 0.00 0.00 57.72 55.21 2g0u n HIS 88 Cb 0.48 -0.13 0.06 0.00 0.12 0.00 0.00 29.99 30.52 2g0u n HIS 88 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2g0u n HIS 89 N 0.36 1.34 -1.28 -1.40 8.25 -1.26 -5.01 115.22 116.22 2g0u n HIS 89 Ca 0.11 0.43 -0.32 0.00 -0.26 0.00 0.00 57.72 57.69 2g0u n HIS 89 Cb 0.46 -2.21 0.10 0.00 1.12 0.00 0.00 29.99 29.46 2g0u n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2g0u s HIS 90 N -1.44 2.30 -0.04 4.41 5.65 -1.26 -5.09 115.29 119.81 2g0u s HIS 90 Ca 0.77 1.61 -0.11 0.00 0.25 0.00 0.00 55.06 57.59 2g0u s HIS 90 Cb -0.41 -3.20 0.02 0.00 -1.18 0.00 0.00 32.58 27.81 2g0u s HIS 90 CO 0.45 -2.11 0.26 -1.58 -0.65 0.00 0.00 174.74 171.10 2g0u s HIS 91 N -2.58 -0.17 0.00 3.88 5.04 -1.26 -5.27 115.29 114.93 2g0u s HIS 91 Ca 0.66 0.35 0.00 0.00 -1.54 0.00 0.00 55.06 54.52 2g0u s HIS 91 Cb -0.21 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.48 2g0u s HIS 91 CO 0.51 -0.28 0.00 -2.39 -2.34 0.00 0.00 174.74 170.25