#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 0.29 0.68 7.83 0.01 -1.26 -5.17 113.70 116.08 2g0u s SER 2 Ca 0.00 -0.87 -0.17 0.00 1.31 0.00 0.00 55.95 56.23 2g0u s SER 2 Cb 0.00 0.28 0.01 0.00 0.21 0.00 0.00 66.02 66.52 2g0u s SER 2 CO 0.00 -0.69 1.23 0.54 0.41 0.00 0.00 173.24 174.73 2g0u s ASN 3 N -2.91 4.52 0.70 2.44 4.22 -1.26 -5.02 114.94 117.64 2g0u s ASN 3 Ca 0.09 2.42 -0.16 0.00 -2.14 0.00 0.00 52.86 53.06 2g0u s ASN 3 Cb 0.06 -2.60 -0.01 0.00 1.28 0.00 0.00 41.25 39.99 2g0u s ASN 3 CO -0.08 -2.04 0.92 -2.65 -2.04 0.00 0.00 177.10 171.20 2g0u n PRO 4 N -2.28 0.56 -1.36 3.55 -0.02 -1.26 -5.01 135.00 129.18 2g0u n PRO 4 Ca 0.14 0.24 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 2g0u n PRO 4 Cb 0.50 -2.17 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 2g0u n PRO 4 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2g0u s PRO 5 N -3.16 2.45 0.55 0.52 0.04 -1.26 -5.08 135.00 129.07 2g0u s PRO 5 Ca 0.73 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 2g0u s PRO 5 Cb -0.36 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2g0u s PRO 5 CO 0.50 -1.49 0.89 0.95 0.04 0.00 0.00 177.00 177.90 2g0u s THR 6 N -2.91 4.75 0.56 1.26 -4.23 -1.26 -4.82 115.64 108.98 2g0u s THR 6 Ca 0.61 0.46 0.27 0.00 -1.18 0.00 0.00 61.69 61.85 2g0u s THR 6 Cb -0.17 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.23 2g0u s THR 6 CO 0.55 -0.95 1.98 -0.65 -0.54 0.00 0.00 174.62 175.02 2g0u h PRO 7 N -0.03 0.00 0.00 3.99 0.11 -1.97 0.41 132.00 134.51 2g0u h PRO 7 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2g0u h PRO 7 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2g0u h PRO 7 CO 0.62 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.34 2g0u h LEU 8 N 0.00 0.00 0.00 2.35 3.38 -2.02 -3.13 115.31 115.88 2g0u h LEU 8 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2g0u h LEU 8 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2g0u h LEU 8 CO -0.00 0.00 -1.09 0.18 0.09 0.00 0.00 178.44 177.61 2g0u n LEU 9 N -2.34 0.57 0.05 1.67 4.77 -0.12 -4.59 117.00 117.02 2g0u n LEU 9 Ca 0.02 -0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2g0u n LEU 9 Cb 0.22 0.02 0.33 0.00 -2.33 0.00 0.00 43.42 41.66 2g0u n LEU 9 CO 0.20 0.13 0.73 0.00 -1.33 0.00 0.00 177.39 177.12 2g0u n ALA 10 N -2.14 1.49 -0.14 -1.18 0.00 -0.06 -4.06 120.51 114.42 2g0u n ALA 10 Ca -0.02 0.02 0.26 0.00 0.00 0.00 0.00 53.44 53.69 2g0u n ALA 10 Cb 0.54 -1.24 0.70 0.00 0.00 0.00 0.00 19.45 19.45 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 0.03 -0.11 0.00 3.58 -1.79 -1.12 116.42 117.00 2g0u h ASP 11 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2g0u h ASP 11 Cb 0.21 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2g0u h ASP 11 CO 0.00 0.01 0.17 0.22 -2.88 0.00 0.00 179.24 176.77 2g0u h TYR 12 N 0.03 0.00 0.00 0.28 3.20 -1.92 -1.81 116.97 116.75 2g0u h TYR 12 Ca 0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 2g0u h TYR 12 Cb 1.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.77 2g0u h TYR 12 CO -0.00 0.00 0.00 1.49 -1.64 0.00 0.00 178.16 178.01 2g0u h GLU 13 N 0.00 0.00 0.00 1.82 4.57 -1.53 -3.34 114.58 116.10 2g0u h GLU 13 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2g0u h GLU 13 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2g0u h GLU 13 CO -0.00 0.00 -0.34 -2.67 -1.18 0.00 0.00 179.01 174.82 2g0u n TRP 14 N -2.85 0.00 -0.38 0.92 2.14 -0.74 -4.98 117.44 111.56 2g0u n TRP 14 Ca 0.01 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.54 2g0u n TRP 14 Cb 0.30 -0.03 -0.06 0.00 -0.81 0.00 0.00 31.31 30.71 2g0u n TRP 14 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2g0u n SER 15 N 0.00 2.21 0.00 -0.67 3.41 -0.86 -2.52 113.62 115.20 2g0u n SER 15 Ca 0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 2g0u n SER 15 Cb 0.64 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2g0u n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g0u n GLY 16 N 2.58 0.27 0.21 5.00 0.00 -1.26 -4.87 105.19 107.12 2g0u n GLY 16 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2g0u n GLY 16 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2g0u h TYR 17 N 0.00 0.00 -0.00 1.61 0.05 -1.90 -3.28 116.97 113.45 2g0u h TYR 17 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2g0u h TYR 17 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2g0u h TYR 17 CO 0.00 0.29 -0.27 1.28 -1.05 0.00 0.00 178.16 178.40 2g0u n LEU 18 N -3.64 0.48 0.29 3.88 4.77 -1.23 -4.73 117.00 116.82 2g0u n LEU 18 Ca -0.01 -0.56 0.19 0.00 -0.03 0.00 0.00 56.01 55.59 2g0u n LEU 18 Cb 0.41 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.46 2g0u n LEU 18 CO 0.35 0.11 1.16 0.74 -1.33 0.00 0.00 177.39 178.41 2g0u h THR 19 N 0.19 0.20 -0.74 -5.08 2.02 -1.83 -1.95 112.91 105.72 2g0u h THR 19 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2g0u h THR 19 Cb 0.18 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2g0u h THR 19 CO 0.00 0.00 0.70 1.23 0.37 0.00 0.00 175.52 177.82 2g0u h GLY 20 N 0.00 0.00 0.32 2.16 0.00 -1.85 -1.54 103.07 102.16 2g0u h GLY 20 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.59 2g0u h GLY 20 CO -0.00 0.00 0.62 1.19 0.00 0.00 0.00 176.54 178.35 2g0u h ILE 21 N 0.00 0.48 -0.98 2.60 6.09 -1.74 -3.08 117.51 120.87 2g0u h ILE 21 Ca 0.35 0.00 0.16 0.00 -1.37 0.00 0.00 64.86 64.01 2g0u h ILE 21 Cb 1.75 0.55 -0.09 0.00 0.47 0.00 0.00 36.82 39.49 2g0u h ILE 21 CO -0.00 0.00 0.61 1.23 -3.07 0.00 0.00 178.15 176.92 2g0u h GLY 22 N 0.00 1.60 0.87 8.18 0.00 -1.54 -1.61 103.07 110.56 2g0u h GLY 22 Ca 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2g0u h GLY 22 CO -0.00 0.03 -0.96 -0.96 0.00 0.00 0.00 176.54 174.64 2g0u n ARG 23 N -4.67 0.43 0.14 4.80 1.85 -1.16 -4.31 116.66 113.73 2g0u n ARG 23 Ca 0.21 0.06 0.12 0.00 -1.00 0.00 0.00 57.85 57.24 2g0u n ARG 23 Cb 0.50 -1.70 0.50 0.00 -1.05 0.00 0.00 32.46 30.72 2g0u n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2g0u n ALA 24 N -1.98 1.65 1.00 2.89 0.00 -0.61 -1.17 120.51 122.29 2g0u n ALA 24 Ca 0.01 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2g0u n ALA 24 Cb 0.49 -1.39 0.48 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.28 0.00 0.06 0.00 3.72 -1.23 -2.08 117.46 115.65 2g0u n PHE 25 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2g0u n PHE 25 Cb 0.23 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.03 0.20 0.27 4.37 2.03 -0.56 -4.71 116.55 117.11 2g0u n ASP 26 Ca 0.12 0.19 0.14 0.00 0.52 0.00 0.00 54.79 55.76 2g0u n ASP 26 Cb 0.06 0.06 0.79 0.00 -0.72 0.00 0.00 41.12 41.31 2g0u n ASP 26 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2g0u h ASP 27 N 0.00 0.00 -0.11 1.67 3.32 -1.31 -0.19 116.42 119.80 2g0u h ASP 27 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2g0u h ASP 27 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2g0u h ASP 27 CO 0.00 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 2g0u n GLY 28 N -0.86 0.56 0.00 2.75 0.00 -0.88 -4.28 105.19 102.48 2g0u n GLY 28 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.69 0.00 -0.14 1.61 0.31 -0.74 -4.62 118.33 115.43 2g0u n VAL 29 Ca 0.17 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.70 2g0u n VAL 29 Cb 0.45 0.34 0.59 0.00 -0.91 0.00 0.00 33.84 34.30 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 0.24 -0.90 5.55 3.64 -1.25 -0.19 116.57 123.67 2g0u h LYS 30 Ca 0.00 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 2g0u h LYS 30 Cb 0.02 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.67 2g0u h LYS 30 CO 0.00 0.16 0.44 0.22 -2.27 0.00 0.00 179.45 178.00 2g0u h ASP 31 N 0.25 0.46 -0.38 4.20 3.58 -1.82 -1.61 116.42 121.10 2g0u h ASP 31 Ca 0.37 0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.89 2g0u h ASP 31 Cb 1.09 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2g0u h ASP 31 CO -0.09 0.10 -0.02 0.25 -2.88 0.00 0.00 179.24 176.61 2g0u h LEU 32 N 0.51 0.67 -0.58 2.28 6.46 -1.32 0.05 115.31 123.40 2g0u h LEU 32 Ca 0.54 -0.32 -0.11 0.00 -0.12 0.00 0.00 57.88 57.87 2g0u h LEU 32 Cb 0.94 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2g0u h LEU 32 CO -0.46 0.83 -0.06 -1.13 -0.62 0.00 0.00 178.44 177.00 2g0u h ASN 33 N 0.50 1.05 -0.69 1.25 -1.24 -1.49 -1.17 115.58 113.80 2g0u h ASN 33 Ca 0.11 -0.33 -0.02 0.00 0.71 0.00 0.00 56.30 56.76 2g0u h ASN 33 Cb 0.49 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 2g0u h ASN 33 CO 0.02 1.14 0.34 0.50 -1.29 0.00 0.00 177.43 178.14 2g0u h LYS 34 N 0.95 0.99 -0.84 6.67 1.63 -1.17 -0.79 116.57 124.01 2g0u h LYS 34 Ca 0.16 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2g0u h LYS 34 Cb 0.63 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 2g0u h LYS 34 CO 0.04 0.77 0.51 1.96 -3.45 0.00 0.00 179.45 179.29 2g0u h GLN 35 N 0.95 1.14 -0.16 1.90 1.08 -0.76 -0.52 115.11 118.74 2g0u h GLN 35 Ca 0.24 -0.10 -0.21 0.00 -1.45 0.00 0.00 58.65 57.12 2g0u h GLN 35 Cb 0.11 -0.24 0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2g0u h GLN 35 CO -0.03 0.79 -0.75 1.25 -0.95 0.00 0.00 178.83 179.15 2g0u h LEU 36 N 1.15 0.89 -0.91 1.46 5.85 -0.91 0.65 115.31 123.50 2g0u h LEU 36 Ca 0.30 -0.57 -0.10 0.00 0.84 0.00 0.00 57.88 58.35 2g0u h LEU 36 Cb -0.06 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 2g0u h LEU 36 CO -0.06 1.37 -0.28 -0.61 -0.34 0.00 0.00 178.44 178.51 2g0u h GLN 37 N 0.53 0.47 -0.45 1.25 4.15 -1.10 0.35 115.11 120.31 2g0u h GLN 37 Ca -0.04 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.10 2g0u h GLN 37 Cb 1.37 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 2g0u h GLN 37 CO 0.15 0.71 -0.09 0.22 -1.93 0.00 0.00 178.83 177.89 2g0u h ASP 38 N 0.41 0.78 -0.22 -0.69 3.58 -0.98 0.21 116.42 119.51 2g0u h ASP 38 Ca 0.06 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.29 2g0u h ASP 38 Cb 0.71 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2g0u h ASP 38 CO 0.05 0.90 0.13 0.00 -2.88 0.00 0.00 179.24 177.45 2g0u h ALA 39 N 1.17 0.28 0.00 -0.78 0.00 -0.50 -1.04 119.26 118.38 2g0u h ALA 39 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2g0u h ALA 39 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2g0u h ALA 39 CO 0.04 -0.27 -0.19 0.37 0.00 0.00 0.00 179.25 179.19 2g0u h GLN 40 N 0.27 0.00 0.18 0.00 4.15 -0.66 0.89 115.11 119.94 2g0u h GLN 40 Ca 0.09 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.21 2g0u h GLN 40 Cb -0.01 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.70 2g0u h GLN 40 CO -0.04 0.19 -1.34 0.00 -1.93 0.00 0.00 178.83 175.71 2g0u h ALA 41 N 1.81 -0.01 -0.28 3.38 0.00 -0.72 0.43 119.26 123.87 2g0u h ALA 41 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 2g0u h ALA 41 Cb 0.45 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2g0u h ALA 41 CO 0.03 0.86 -0.05 -0.91 0.00 0.00 0.00 179.25 179.18 2g0u h ASN 42 N 0.10 0.41 0.00 0.00 2.35 -0.83 -0.53 115.58 117.09 2g0u h ASN 42 Ca -0.18 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.34 2g0u h ASN 42 Cb 2.06 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 40.31 2g0u h ASN 42 CO 0.23 0.52 -0.47 0.25 -1.65 0.00 0.00 177.43 176.31 2g0u h LEU 43 N 0.42 0.59 -0.86 1.61 5.85 -0.86 -2.96 115.31 119.11 2g0u h LEU 43 Ca 0.09 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2g0u h LEU 43 Cb 0.35 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2g0u h LEU 43 CO 0.01 0.97 0.17 0.74 -0.34 0.00 0.00 178.44 179.99 2g0u h THR 44 N 0.44 1.25 -0.15 1.05 2.02 0.91 0.22 112.91 118.64 2g0u h THR 44 Ca 0.03 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 2g0u h THR 44 Cb 0.98 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2g0u h THR 44 CO 0.09 0.34 0.01 0.11 0.37 0.00 0.00 175.52 176.44 2g0u h LYS 45 N 0.98 0.22 -1.68 6.66 1.57 -1.12 -3.37 116.57 119.82 2g0u h LYS 45 Ca 0.21 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.68 2g0u h LYS 45 Cb 0.33 -0.04 -0.28 0.00 0.08 0.00 0.00 32.23 32.32 2g0u h LYS 45 CO -0.00 0.24 -0.62 1.21 -0.57 0.00 0.00 179.45 179.70 2g0u s ASN 46 N -6.90 0.41 0.61 0.86 3.84 -0.81 -5.07 114.94 107.88 2g0u s ASN 46 Ca -0.06 -1.38 0.27 0.00 0.21 0.00 0.00 52.86 51.90 2g0u s ASN 46 Cb 0.16 0.95 1.29 0.00 -0.55 0.00 0.00 41.25 43.11 2g0u s ASN 46 CO 0.71 -0.23 1.72 -0.65 -2.79 0.00 0.00 177.10 175.86 2g0u h PRO 47 N 7.02 0.00 0.00 0.43 0.11 -0.77 -0.65 132.00 138.14 2g0u h PRO 47 Ca 0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2g0u h PRO 47 Cb 1.09 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.04 2g0u h PRO 47 CO 0.17 0.00 -0.66 -1.13 -0.21 0.00 0.00 178.00 176.17 2g0u n SER 48 N -3.36 1.31 -4.69 -2.05 3.41 -1.26 -4.90 113.62 102.08 2g0u n SER 48 Ca 0.09 -2.86 -0.42 0.00 -0.26 0.00 0.00 58.87 55.41 2g0u n SER 48 Cb 0.80 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.39 4.05 0.19 4.04 -0.08 -0.25 -4.90 116.55 119.21 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 0.37 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 8.80 0.00 0.08 -0.67 0.13 -1.96 0.11 132.00 138.48 2g0u h PRO 50 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 2g0u h PRO 50 Cb 1.23 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 2g0u h PRO 50 CO 0.95 0.37 -1.09 1.15 -0.23 0.00 0.00 178.00 179.15 2g0u h THR 51 N 0.00 1.32 -0.80 1.56 2.02 -1.97 0.10 112.91 115.14 2g0u h THR 51 Ca -0.00 -2.37 0.08 0.00 0.77 0.00 0.00 66.41 64.89 2g0u h THR 51 Cb 0.78 2.66 -0.07 0.00 -1.74 0.00 0.00 68.15 69.78 2g0u h THR 51 CO 0.05 0.72 0.46 0.00 0.37 0.00 0.00 175.52 177.12 2g0u h ALA 52 N 0.30 1.12 0.13 6.16 0.00 -1.83 0.21 119.26 125.34 2g0u h ALA 52 Ca -0.16 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.49 2g0u h ALA 52 Cb 1.77 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2g0u h ALA 52 CO 0.21 0.12 -1.23 1.25 0.00 0.00 0.00 179.25 179.60 2g0u h LEU 53 N 0.80 0.57 -0.77 0.00 5.85 -0.82 0.03 115.31 120.98 2g0u h LEU 53 Ca 0.37 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2g0u h LEU 53 Cb 0.30 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2g0u h LEU 53 CO -0.22 1.42 0.47 0.00 -0.34 0.00 0.00 178.44 179.77 2g0u h ALA 54 N 0.51 0.99 0.25 1.25 0.00 -0.63 1.00 119.26 122.62 2g0u h ALA 54 Ca -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2g0u h ALA 54 Cb 1.92 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2g0u h ALA 54 CO 0.21 0.45 -0.12 -0.97 0.00 0.00 0.00 179.25 178.82 2g0u h ASN 55 N 1.06 -0.28 -0.66 0.00 -1.24 -0.50 -0.11 115.58 113.85 2g0u h ASN 55 Ca 0.28 -0.19 0.09 0.00 0.71 0.00 0.00 56.30 57.19 2g0u h ASN 55 Cb -0.04 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.01 2g0u h ASN 55 CO -0.05 0.05 0.29 0.22 -1.29 0.00 0.00 177.43 176.65 2g0u h TYR 56 N -0.64 0.52 -0.67 0.67 5.03 -0.97 -0.07 116.97 120.84 2g0u h TYR 56 Ca -0.03 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 2g0u h TYR 56 Cb 0.45 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 2g0u h TYR 56 CO 0.02 0.16 0.20 1.96 -1.32 0.00 0.00 178.16 179.18 2g0u h GLN 57 N 0.50 1.05 -0.23 1.82 1.08 -0.69 0.14 115.11 118.78 2g0u h GLN 57 Ca 0.33 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 2g0u h GLN 57 Cb 0.37 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2g0u h GLN 57 CO -0.29 0.92 -0.01 1.98 -0.95 0.00 0.00 178.83 180.49 2g0u h MET 58 N 0.98 0.41 -0.20 1.46 4.05 -0.57 -0.13 114.93 120.93 2g0u h MET 58 Ca 0.21 -0.13 -0.15 0.00 -0.28 0.00 0.00 59.70 59.35 2g0u h MET 58 Cb 0.32 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2g0u h MET 58 CO -0.00 0.60 -0.49 0.82 0.23 0.00 0.00 176.91 178.06 2g0u h ILE 59 N 0.18 1.32 -0.22 1.77 2.04 -0.98 -2.69 117.51 118.92 2g0u h ILE 59 Ca 0.06 -1.71 -0.12 0.00 1.00 0.00 0.00 64.86 64.09 2g0u h ILE 59 Cb 0.42 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2g0u h ILE 59 CO 0.01 0.53 -0.38 -0.03 0.00 0.00 0.00 178.15 178.28 2g0u h MET 60 N 0.42 0.51 -0.94 2.37 4.05 -0.65 0.11 114.93 120.79 2g0u h MET 60 Ca 0.02 -0.25 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 2g0u h MET 60 Cb 1.01 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.75 2g0u h MET 60 CO 0.09 0.81 0.61 0.77 0.23 0.00 0.00 176.91 179.43 2g0u h SER 61 N 0.42 1.02 -0.14 1.39 0.02 -0.91 -0.16 113.55 115.19 2g0u h SER 61 Ca 0.04 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 2g0u h SER 61 Cb 0.86 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2g0u h SER 61 CO 0.07 0.70 -0.27 -0.08 -1.14 0.00 0.00 176.83 176.11 2g0u h GLU 62 N 1.19 0.43 -0.46 3.45 4.81 -1.16 -3.13 114.58 119.70 2g0u h GLU 62 Ca 0.37 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2g0u h GLU 62 Cb -0.00 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2g0u h GLU 62 CO -0.12 0.88 0.18 -0.92 -0.73 0.00 0.00 179.01 178.30 2g0u h TYR 63 N 0.03 0.33 -0.49 0.92 3.20 -0.54 -1.59 116.97 118.84 2g0u h TYR 63 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2g0u h TYR 63 Cb 0.87 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2g0u h TYR 63 CO 0.10 0.13 -0.09 -0.97 -1.64 0.00 0.00 178.16 175.69 2g0u h ASN 64 N 0.37 0.87 -0.18 -2.11 -1.24 -1.13 -1.42 115.58 110.73 2g0u h ASN 64 Ca 0.21 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 2g0u h ASN 64 Cb 0.19 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 2g0u h ASN 64 CO -0.20 0.98 0.04 0.25 -1.29 0.00 0.00 177.43 177.21 2g0u h LEU 65 N 0.79 0.27 -0.97 0.34 6.46 -1.42 -1.36 115.31 119.42 2g0u h LEU 65 Ca 0.13 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 2g0u h LEU 65 Cb 0.60 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2g0u h LEU 65 CO 0.04 0.45 0.23 1.88 -0.62 0.00 0.00 178.44 180.42 2g0u h TYR 66 N 0.09 0.99 -0.68 1.25 -1.99 -1.19 -1.34 116.97 114.12 2g0u h TYR 66 Ca 0.05 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 2g0u h TYR 66 Cb 0.28 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 38.68 2g0u h TYR 66 CO 0.01 0.78 0.34 0.00 -0.00 0.00 0.00 178.16 179.29 2g0u h ARG 67 N 0.95 0.96 -0.74 4.88 3.08 -1.17 -1.07 114.38 121.27 2g0u h ARG 67 Ca 0.22 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2g0u h ARG 67 Cb 0.22 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2g0u h ARG 67 CO -0.01 0.75 0.39 -0.97 -1.07 0.00 0.00 179.97 179.05 2g0u h ASN 68 N 0.93 0.94 -0.49 7.04 -0.73 -0.85 -0.30 115.58 122.13 2g0u h ASN 68 Ca 0.23 -0.11 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 2g0u h ASN 68 Cb 0.09 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2g0u h ASN 68 CO -0.03 0.79 -0.04 0.00 -0.37 0.00 0.00 177.43 177.77 2g0u h ALA 69 N 1.20 0.67 -0.72 1.57 0.00 -1.08 -2.66 119.26 118.24 2g0u h ALA 69 Ca 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2g0u h ALA 69 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2g0u h ALA 69 CO -0.04 0.51 0.25 0.37 0.00 0.00 0.00 179.25 180.34 2g0u h GLN 70 N 0.75 1.10 -0.58 0.00 5.75 -1.06 -3.06 115.11 118.01 2g0u h GLN 70 Ca 0.13 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2g0u h GLN 70 Cb 0.57 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 2g0u h GLN 70 CO 0.03 0.93 0.35 0.77 -2.65 0.00 0.00 178.83 178.26 2g0u h SER 71 N 1.05 0.68 0.42 -0.69 0.02 -0.91 -1.36 113.55 112.76 2g0u h SER 71 Ca 0.23 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2g0u h SER 71 Cb 0.27 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2g0u h SER 71 CO -0.01 0.52 -0.10 0.28 -1.14 0.00 0.00 176.83 176.38 2g0u h SER 72 N 0.80 0.00 0.38 3.07 0.02 -1.37 -2.80 113.55 113.65 2g0u h SER 72 Ca 0.21 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.85 2g0u h SER 72 Cb -0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 2g0u h SER 72 CO -0.04 0.10 -1.80 0.00 -1.14 0.00 0.00 176.83 173.94 2g0u n ALA 73 N -2.24 1.33 -0.05 3.77 0.00 -0.70 -4.17 120.51 118.45 2g0u n ALA 73 Ca -0.02 -0.73 0.12 0.00 0.00 0.00 0.00 53.44 52.82 2g0u n ALA 73 Cb 0.23 -0.79 0.53 0.00 0.00 0.00 0.00 19.45 19.42 2g0u n ALA 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g0u h VAL 74 N 0.02 0.89 -0.17 0.00 2.07 -1.03 0.89 116.25 118.93 2g0u h VAL 74 Ca -0.33 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.12 2g0u h VAL 74 Cb 2.02 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2g0u h VAL 74 CO 0.08 0.06 0.47 0.11 0.02 0.00 0.00 177.57 178.31 2g0u h LYS 75 N 0.34 0.00 0.00 1.57 1.57 -1.68 -2.52 116.57 115.85 2g0u h LYS 75 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2g0u h LYS 75 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2g0u h LYS 75 CO -0.06 0.00 -0.80 0.43 -0.57 0.00 0.00 179.45 178.45 2g0u n SER 76 N -3.11 3.54 0.30 0.86 7.64 -0.38 -4.71 113.62 117.75 2g0u n SER 76 Ca 0.02 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.07 2g0u n SER 76 Cb 0.56 0.17 0.93 0.00 -1.01 0.00 0.00 64.21 64.87 2g0u n SER 76 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2g0u h MET 77 N 0.00 0.00 -0.69 1.43 2.86 -0.88 -2.07 114.93 115.58 2g0u h MET 77 Ca 0.00 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.82 2g0u h MET 77 Cb 0.80 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 2g0u h MET 77 CO 0.00 0.04 0.48 1.57 1.06 0.00 0.00 176.91 180.06 2g0u h LYS 78 N 0.00 0.15 0.00 1.72 2.10 -1.70 -0.10 116.57 118.74 2g0u h LYS 78 Ca -0.00 -0.01 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 2g0u h LYS 78 Cb 0.13 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2g0u h LYS 78 CO 0.00 0.10 -0.40 0.22 -2.00 0.00 0.00 179.45 177.38 2g0u h ASP 79 N 0.16 0.00 0.14 7.07 3.58 -1.68 -2.23 116.42 123.47 2g0u h ASP 79 Ca 0.34 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.49 2g0u h ASP 79 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2g0u h ASP 79 CO -0.05 0.40 -1.46 0.40 -2.88 0.00 0.00 179.24 175.64 2g0u h ILE 80 N 0.00 1.05 -0.94 2.25 1.08 -1.42 -3.38 117.51 116.16 2g0u h ILE 80 Ca -0.00 -2.45 0.11 0.00 -0.39 0.00 0.00 64.86 62.12 2g0u h ILE 80 Cb 0.71 2.78 -0.08 0.00 -3.07 0.00 0.00 36.82 37.16 2g0u h ILE 80 CO 0.05 0.75 0.57 -0.78 -0.69 0.00 0.00 178.15 178.06 2g0u h ASP 81 N -0.18 0.83 0.00 1.72 3.58 -0.99 -1.32 116.42 120.06 2g0u h ASP 81 Ca -0.30 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2g0u h ASP 81 Cb 1.86 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.80 2g0u h ASP 81 CO 0.11 0.45 0.00 -1.20 -2.88 0.00 0.00 179.24 175.72 2g0u n SER 82 N -4.67 0.00 0.00 2.28 7.64 -0.85 -1.21 113.62 116.81 2g0u n SER 82 Ca 0.17 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2g0u n SER 82 Cb 0.32 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2g0u n SER 82 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2g0u n SER 83 N -1.40 1.60 0.00 6.43 7.64 -0.50 -4.77 113.62 122.63 2g0u n SER 83 Ca 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.15 2g0u n SER 83 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.37 0.00 -4.10 0.44 3.06 -0.82 -5.12 119.36 112.45 2g0u n ILE 84 Ca 0.00 -0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.15 2g0u n ILE 84 Cb 0.24 0.33 -0.09 0.00 0.54 0.00 0.00 39.64 40.66 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 -0.04 1.61 -0.01 9.51 2.96 -0.35 -5.10 118.68 127.26 2g0u s LEU 85 Ca 0.00 -1.13 0.01 0.00 -0.22 0.00 0.00 54.13 52.79 2g0u s LEU 85 Cb 0.00 0.50 0.01 0.00 0.50 0.00 0.00 46.19 47.20 2g0u s LEU 85 CO 0.00 -0.76 0.78 -1.84 -1.32 0.00 0.00 176.35 173.21 2g0u n GLU 86 N -0.12 1.43 -0.02 1.98 0.28 -1.26 -4.48 120.64 118.45 2g0u n GLU 86 Ca -0.06 -1.07 0.00 0.00 -0.16 0.00 0.00 57.16 55.87 2g0u n GLU 86 Cb 0.63 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.73 2g0u n GLU 86 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2g0u n HIS 87 N -0.29 0.00 -1.60 -1.84 1.44 -1.26 -4.94 115.22 106.73 2g0u n HIS 87 Ca 0.01 -0.30 -0.42 0.00 -2.01 0.00 0.00 57.72 54.99 2g0u n HIS 87 Cb 0.40 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 30.32 2g0u n HIS 87 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2g0u n HIS 88 N 0.79 1.18 -3.72 -1.40 8.25 -1.26 -5.04 115.22 114.02 2g0u n HIS 88 Ca 0.00 0.59 -0.10 0.00 -0.26 0.00 0.00 57.72 57.95 2g0u n HIS 88 Cb 0.28 -2.23 -0.05 0.00 1.12 0.00 0.00 29.99 29.11 2g0u n HIS 88 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2g0u s HIS 89 N -1.23 -0.08 -0.01 4.41 -3.43 -1.26 -5.10 115.29 108.60 2g0u s HIS 89 Ca 0.62 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 54.62 2g0u s HIS 89 Cb -0.59 0.21 0.01 0.00 -1.43 0.00 0.00 32.58 30.79 2g0u s HIS 89 CO 0.58 -0.73 0.71 -2.39 -2.00 0.00 0.00 174.74 170.91 2g0u n HIS 90 N -0.23 0.00 -1.78 0.38 1.44 -1.26 -5.10 115.22 108.68 2g0u n HIS 90 Ca -0.14 -0.13 -0.38 0.00 -2.01 0.00 0.00 57.72 55.06 2g0u n HIS 90 Cb 0.63 -0.02 0.04 0.00 0.12 0.00 0.00 29.99 30.76 2g0u n HIS 90 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2g0u s HIS 91 N -0.30 2.26 0.00 -1.40 5.04 -1.26 -5.41 115.29 114.22 2g0u s HIS 91 Ca 0.02 1.38 0.00 0.00 -1.54 0.00 0.00 55.06 54.92 2g0u s HIS 91 Cb 0.01 -3.80 0.00 0.00 0.04 0.00 0.00 32.58 28.84 2g0u s HIS 91 CO 0.00 -2.92 0.00 1.58 -2.34 0.00 0.00 174.74 171.06