#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o7g n THR 4 N 0.00 0.00 0.23 0.00 -2.24 -1.26 0.74 114.28 111.74 2o7g n THR 4 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2o7g n THR 4 Cb 0.00 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 68.74 2o7g n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2o7g h ALA 5 N 0.00 1.08 -1.01 6.98 0.00 -2.05 0.03 119.26 124.29 2o7g h ALA 5 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.81 2o7g h ALA 5 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2o7g h ALA 5 CO 0.00 0.28 0.64 1.03 0.00 0.00 0.00 179.25 181.19 2o7g h SER 6 N 0.00 0.96 0.02 0.00 0.87 2.56 -2.46 113.55 115.50 2o7g h SER 6 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2o7g h SER 6 Cb 0.66 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2o7g h SER 6 CO 0.03 0.54 -0.03 -0.78 -0.53 0.00 0.00 176.83 176.06 2o7g h ASP 7 N 1.05 -0.08 -0.71 6.23 1.82 -0.81 -2.85 116.42 121.07 2o7g h ASP 7 Ca 0.48 0.01 0.14 0.00 -0.39 0.00 0.00 57.03 57.27 2o7g h ASP 7 Cb 0.40 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.40 2o7g h ASP 7 CO -0.24 -0.05 0.48 0.44 -1.61 0.00 0.00 179.24 178.26 2o7g h ASP 8 N -0.06 0.37 -0.61 2.28 5.19 -1.29 -2.41 116.42 119.90 2o7g h ASP 8 Ca 0.01 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.38 2o7g h ASP 8 Cb 0.07 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 2o7g h ASP 8 CO -0.02 0.20 0.18 -0.33 -3.12 0.00 0.00 179.24 176.15 2o7g h GLU 9 N 0.40 0.99 0.11 3.56 4.39 -1.20 -1.69 114.58 121.14 2o7g h GLU 9 Ca 0.34 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2o7g h GLU 9 Cb 0.78 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2o7g h GLU 9 CO -0.10 0.86 -0.05 0.00 -1.16 0.00 0.00 179.01 178.55 2o7g h ALA 10 N 1.24 -0.15 -0.70 3.43 0.00 -1.33 -1.96 119.26 119.80 2o7g h ALA 10 Ca 0.21 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2o7g h ALA 10 Cb 0.30 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 2o7g h ALA 10 CO -0.00 -0.48 0.24 0.28 0.00 0.00 0.00 179.25 179.28 2o7g h VAL 11 N -0.35 0.65 -0.78 0.00 2.07 -1.54 -3.62 116.25 112.67 2o7g h VAL 11 Ca -0.02 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2o7g h VAL 11 Cb 0.29 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2o7g h VAL 11 CO 0.02 0.07 0.38 0.74 0.02 0.00 0.00 177.57 178.80 2o7g h THR 12 N 0.38 1.25 -0.34 2.57 2.02 -1.29 -1.83 112.91 115.67 2o7g h THR 12 Ca 0.38 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2o7g h THR 12 Cb 0.57 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2o7g h THR 12 CO -0.41 0.29 0.19 0.00 0.37 0.00 0.00 175.52 175.97 2o7g h ALA 13 N 1.20 0.43 -0.79 6.16 0.00 -1.61 -1.67 119.26 122.97 2o7g h ALA 13 Ca 0.27 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.23 2o7g h ALA 13 Cb 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2o7g h ALA 13 CO -0.03 -0.06 0.42 -0.07 0.00 0.00 0.00 179.25 179.51 2o7g h LEU 14 N 0.43 0.54 -1.05 0.00 3.38 -1.81 -1.67 115.31 115.14 2o7g h LEU 14 Ca 0.12 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2o7g h LEU 14 Cb 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2o7g h LEU 14 CO -0.02 0.28 0.20 0.00 0.09 0.00 0.00 178.44 179.00 2o7g h ALA 15 N 1.48 1.24 0.02 1.53 0.00 -1.14 0.11 119.26 122.51 2o7g h ALA 15 Ca 0.40 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.87 2o7g h ALA 15 Cb 0.46 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.03 2o7g h ALA 15 CO -0.30 0.54 -1.06 -0.07 0.00 0.00 0.00 179.25 178.37 2o7g h LEU 16 N 0.86 0.81 -0.21 0.00 3.38 -0.69 -0.03 115.31 119.43 2o7g h LEU 16 Ca 0.20 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2o7g h LEU 16 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2o7g h LEU 16 CO -0.01 1.47 -0.05 -1.28 0.09 0.00 0.00 178.44 178.66 2o7g h SER 17 N 0.33 0.40 -0.59 -0.43 0.87 -1.26 -2.80 113.55 110.07 2o7g h SER 17 Ca -0.13 -0.36 0.09 0.00 -1.23 0.00 0.00 61.79 60.16 2o7g h SER 17 Cb 1.71 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.49 2o7g h SER 17 CO 0.20 0.67 0.21 0.00 -0.53 0.00 0.00 176.83 177.39 2o7g h ALA 18 N 0.74 0.75 -0.58 6.23 0.00 -0.89 -1.17 119.26 124.35 2o7g h ALA 18 Ca 0.05 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2o7g h ALA 18 Cb 0.50 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2o7g h ALA 18 CO 0.02 -0.20 0.40 0.00 0.00 0.00 0.00 179.25 179.46 2o7g h ALA 19 N 1.41 2.20 -0.12 0.00 0.00 -0.93 0.42 119.26 122.24 2o7g h ALA 19 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2o7g h ALA 19 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2o7g h ALA 19 CO -0.30 -0.35 0.00 1.63 0.00 0.00 0.00 179.25 180.23 2o7g n LYS 20 N -4.44 1.49 -0.31 0.00 5.02 -0.49 -4.57 118.16 114.85 2o7g n LYS 20 Ca 0.10 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 2o7g n LYS 20 Cb 0.47 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2o7g n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o7g n GLY 21 N 0.44 0.84 3.57 0.72 0.00 0.13 -5.03 105.19 105.87 2o7g n GLY 21 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2o7g n GLY 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2o7g s ASN 22 N -2.01 6.52 0.19 1.61 3.04 -0.91 -4.92 114.94 118.45 2o7g s ASN 22 Ca 0.00 0.17 -0.10 0.00 0.04 0.00 0.00 52.86 52.97 2o7g s ASN 22 Cb 0.00 -2.46 0.11 0.00 -1.54 0.00 0.00 41.25 37.36 2o7g s ASN 22 CO 0.00 -1.07 1.74 1.23 -3.04 0.00 0.00 177.10 175.95 2o7g h GLY 23 N 10.64 1.13 2.00 1.21 0.00 -1.89 -1.93 103.07 114.22 2o7g h GLY 23 Ca -0.24 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 2o7g h GLY 23 CO 1.04 0.61 -0.04 3.21 0.00 0.00 0.00 176.54 181.36 2o7g h ARG 24 N 0.99 0.00 0.24 4.80 3.08 -1.98 0.30 114.38 121.81 2o7g h ARG 24 Ca 0.22 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.94 2o7g h ARG 24 Cb 0.26 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.35 2o7g h ARG 24 CO -0.01 0.04 -1.52 0.00 -1.07 0.00 0.00 179.97 177.41 2o7g h ALA 25 N 1.96 -0.11 -0.54 0.04 0.00 -1.85 -2.90 119.26 115.87 2o7g h ALA 25 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 54.91 54.03 2o7g h ALA 25 Cb 0.75 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2o7g h ALA 25 CO 0.01 0.75 0.33 1.25 0.00 0.00 0.00 179.25 181.59 2o7g h LEU 26 N 0.14 0.55 -0.46 0.00 5.85 -0.68 -0.17 115.31 120.54 2o7g h LEU 26 Ca -0.27 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.46 2o7g h LEU 26 Cb 2.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 2o7g h LEU 26 CO 0.26 0.39 0.30 -0.08 -0.34 0.00 0.00 178.44 178.97 2o7g h GLU 27 N 0.66 0.59 -0.39 1.25 4.81 -1.03 -1.08 114.58 119.39 2o7g h GLU 27 Ca 0.21 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2o7g h GLU 27 Cb -0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2o7g h GLU 27 CO -0.08 0.39 -0.15 0.00 -0.73 0.00 0.00 179.01 178.44 2o7g h ALA 28 N 1.18 0.55 -0.60 2.92 0.00 -1.42 -1.37 119.26 120.52 2o7g h ALA 28 Ca 0.17 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.86 2o7g h ALA 28 Cb -0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 2o7g h ALA 28 CO -0.05 0.47 0.07 0.35 0.00 0.00 0.00 179.25 180.09 2o7g h PHE 29 N 0.61 0.09 -0.29 0.00 3.57 -0.61 0.22 116.94 120.53 2o7g h PHE 29 Ca 0.09 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 2o7g h PHE 29 Cb 0.69 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2o7g h PHE 29 CO 0.05 -0.09 -0.01 0.82 -2.23 0.00 0.00 178.31 176.85 2o7g h ILE 30 N 0.19 1.26 -0.59 1.41 2.04 -0.84 -1.93 117.51 119.05 2o7g h ILE 30 Ca 0.32 -0.97 0.11 0.00 1.00 0.00 0.00 64.86 65.32 2o7g h ILE 30 Cb 0.50 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 2o7g h ILE 30 CO -0.46 0.31 0.13 0.11 0.00 0.00 0.00 178.15 178.24 2o7g h LYS 31 N 0.30 0.25 0.00 2.37 1.57 -0.70 0.14 116.57 120.50 2o7g h LYS 31 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2o7g h LYS 31 Cb 0.45 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2o7g h LYS 31 CO 0.02 0.17 -0.11 0.00 -0.57 0.00 0.00 179.45 178.95 2o7g h ALA 32 N 1.47 1.14 0.00 3.86 0.00 -0.25 -3.31 119.26 122.16 2o7g h ALA 32 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2o7g h ALA 32 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2o7g h ALA 32 CO -0.39 0.14 -0.25 0.25 0.00 0.00 0.00 179.25 179.00 2o7g n THR 33 N -3.42 0.00 -0.26 0.00 -2.24 -0.75 -4.71 114.28 102.89 2o7g n THR 33 Ca -0.01 -0.37 0.04 0.00 -2.27 0.00 0.00 64.05 61.44 2o7g n THR 33 Cb 0.28 0.87 0.13 0.00 -2.10 0.00 0.00 70.33 69.51 2o7g n THR 33 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2o7g h GLN 34 N 0.00 0.04 0.01 -0.78 4.15 -1.07 -1.42 115.11 116.04 2o7g h GLN 34 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2o7g h GLN 34 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2o7g h GLN 34 CO 0.00 0.03 -0.00 0.37 -1.93 0.00 0.00 178.83 177.29 2o7g h GLN 35 N 0.04 -0.01 -0.64 1.69 5.75 -1.84 0.42 115.11 120.53 2o7g h GLN 35 Ca 0.40 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 59.02 2o7g h GLN 35 Cb 0.67 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.13 2o7g h GLN 35 CO -0.74 0.17 0.18 -0.44 -2.65 0.00 0.00 178.83 175.36 2o7g h ASP 36 N -0.19 0.10 -0.07 -0.69 3.32 -1.75 0.81 116.42 117.94 2o7g h ASP 36 Ca -0.00 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2o7g h ASP 36 Cb 0.19 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2o7g h ASP 36 CO 0.00 0.05 0.02 0.58 -1.72 0.00 0.00 179.24 178.17 2o7g h VAL 37 N 0.32 1.16 -0.14 -1.35 2.07 -1.04 -2.16 116.25 115.10 2o7g h VAL 37 Ca 0.34 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2o7g h VAL 37 Cb 0.49 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2o7g h VAL 37 CO -0.39 0.14 -0.18 -0.25 0.02 0.00 0.00 177.57 176.91 2o7g h TRP 38 N -0.07 -0.46 0.07 1.57 7.01 -0.44 -0.35 115.95 123.28 2o7g h TRP 38 Ca 0.02 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.07 2o7g h TRP 38 Cb 0.20 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2o7g h TRP 38 CO -0.01 -0.25 -0.22 0.00 -2.79 0.00 0.00 178.44 175.17 2o7g h ARG 39 N -0.22 -0.38 -0.63 2.65 3.08 -0.71 -1.67 114.38 116.50 2o7g h ARG 39 Ca 0.10 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.31 2o7g h ARG 39 Cb 0.37 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.40 2o7g h ARG 39 CO -0.27 -0.25 0.02 0.35 -1.07 0.00 0.00 179.97 178.74 2o7g h PHE 40 N -0.39 -0.02 -0.45 3.04 3.57 -1.29 -2.20 116.94 119.19 2o7g h PHE 40 Ca 0.04 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 2o7g h PHE 40 Cb 0.43 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2o7g h PHE 40 CO -0.23 -0.16 -0.04 0.28 -2.23 0.00 0.00 178.31 175.93 2o7g h VAL 41 N 0.13 1.24 0.00 1.41 2.07 -0.79 -2.96 116.25 117.35 2o7g h VAL 41 Ca 0.33 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2o7g h VAL 41 Cb 0.55 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2o7g h VAL 41 CO -0.53 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.42 2o7g h ALA 42 N 1.25 1.00 0.00 1.67 0.00 -0.87 -2.17 119.26 120.14 2o7g h ALA 42 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2o7g h ALA 42 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2o7g h ALA 42 CO 0.02 0.00 -0.55 1.88 0.00 0.00 0.00 179.25 180.60 2o7g h TYR 43 N 0.00 0.00 0.00 0.00 0.99 -1.24 -3.31 116.97 113.41 2o7g h TYR 43 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2o7g h TYR 43 Cb 0.74 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.47 2o7g h TYR 43 CO 0.00 0.55 -0.95 1.28 -0.00 0.00 0.00 178.16 179.05 2o7g n LEU 44 N -3.86 0.72 0.00 3.88 4.32 -1.08 -4.87 117.00 116.11 2o7g n LEU 44 Ca -0.01 -0.44 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 2o7g n LEU 44 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2o7g n LEU 44 CO 0.41 0.18 0.00 -1.54 -1.22 0.00 0.00 177.39 175.22 2o7g n SER 45 N -1.50 0.00 -3.39 -1.43 3.41 -0.84 -5.06 113.62 104.81 2o7g n SER 45 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 2o7g n SER 45 Cb 0.30 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 2o7g n SER 45 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2o7g n ASP 46 N 0.00 1.42 0.04 4.04 5.68 -1.26 -4.85 116.55 121.62 2o7g n ASP 46 Ca 0.00 -1.82 -0.06 0.00 -0.50 0.00 0.00 54.79 52.41 2o7g n ASP 46 Cb 0.00 -0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 39.76 2o7g n ASP 46 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2o7g h VAL 47 N 0.31 1.28 -0.06 2.12 2.07 -1.94 -3.25 116.25 116.77 2o7g h VAL 47 Ca -0.15 -2.98 -0.14 0.00 0.82 0.00 0.00 66.70 64.25 2o7g h VAL 47 Cb 0.61 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2o7g h VAL 47 CO 0.22 0.73 -0.60 1.23 0.02 0.00 0.00 177.57 179.18 2o7g h GLY 48 N 3.26 0.23 2.00 2.17 0.00 -1.96 -3.14 103.07 105.63 2o7g h GLY 48 Ca -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2o7g h GLY 48 CO 0.10 0.25 -0.24 1.76 0.00 0.00 0.00 176.54 178.41 2o7g h SER 49 N 0.16 0.00 -0.55 0.19 0.02 -1.97 -3.41 113.55 107.99 2o7g h SER 49 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2o7g h SER 49 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2o7g h SER 49 CO 0.09 0.24 -0.07 0.00 -1.14 0.00 0.00 176.83 175.95 2o7g h ALA 50 N 1.76 0.75 -0.35 3.77 0.00 -1.57 -1.75 119.26 121.86 2o7g h ALA 50 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2o7g h ALA 50 Cb 0.54 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2o7g h ALA 50 CO 0.03 0.64 0.13 -0.44 0.00 0.00 0.00 179.25 179.60 2o7g h ASP 51 N 0.90 0.14 -0.37 0.00 3.32 -1.79 0.50 116.42 119.12 2o7g h ASP 51 Ca 0.15 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2o7g h ASP 51 Cb 0.63 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2o7g h ASP 51 CO 0.04 0.12 0.02 0.44 -1.72 0.00 0.00 179.24 178.14 2o7g h ASP 52 N 0.28 0.62 -0.61 6.45 3.45 -1.81 -2.80 116.42 121.98 2o7g h ASP 52 Ca 0.16 -0.29 -0.03 0.00 0.43 0.00 0.00 57.03 57.30 2o7g h ASP 52 Cb 0.13 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.70 2o7g h ASP 52 CO -0.16 0.76 0.28 -0.07 -1.57 0.00 0.00 179.24 178.48 2o7g h LEU 53 N 0.46 0.84 -0.55 1.55 4.07 -1.16 -2.82 115.31 117.70 2o7g h LEU 53 Ca 0.11 -0.10 0.04 0.00 0.08 0.00 0.00 57.88 58.00 2o7g h LEU 53 Cb 0.43 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 2o7g h LEU 53 CO 0.01 0.74 0.31 0.74 -1.08 0.00 0.00 178.44 179.16 2o7g h THR 54 N 0.92 1.00 -0.00 0.22 2.02 0.05 -2.12 112.91 115.00 2o7g h THR 54 Ca 0.22 -0.21 -0.22 0.00 0.77 0.00 0.00 66.41 66.98 2o7g h THR 54 Cb 0.14 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2o7g h THR 54 CO -0.02 0.11 -0.93 0.06 0.37 0.00 0.00 175.52 175.11 2o7g h GLN 55 N 0.60 0.38 -0.77 6.66 3.07 -1.47 -2.74 115.11 120.84 2o7g h GLN 55 Ca 0.23 -0.40 0.08 0.00 0.09 0.00 0.00 58.65 58.65 2o7g h GLN 55 Cb 0.09 0.11 -0.06 0.00 0.08 0.00 0.00 27.48 27.70 2o7g h GLN 55 CO -0.13 1.08 0.44 1.49 0.09 0.00 0.00 178.83 181.79 2o7g h GLU 56 N 0.21 0.75 -0.63 0.06 4.57 -1.54 -1.10 114.58 116.90 2o7g h GLU 56 Ca -0.07 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.13 2o7g h GLU 56 Cb 1.56 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.92 2o7g h GLU 56 CO 0.16 0.50 0.32 1.15 -1.18 0.00 0.00 179.01 179.96 2o7g h THR 57 N 0.77 0.91 -0.27 0.32 2.02 -1.29 -2.01 112.91 113.37 2o7g h THR 57 Ca 0.36 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 67.19 2o7g h THR 57 Cb 0.27 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2o7g h THR 57 CO -0.21 0.11 -0.42 -0.26 0.37 0.00 0.00 175.52 175.11 2o7g h PHE 58 N 0.59 0.79 -0.41 3.16 -1.00 -1.24 -0.07 116.94 118.76 2o7g h PHE 58 Ca 0.29 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 2o7g h PHE 58 Cb 0.24 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 2o7g h PHE 58 CO -0.10 0.96 0.24 -0.07 -1.61 0.00 0.00 178.31 177.73 2o7g h LEU 59 N 0.53 0.50 -0.64 1.54 3.38 -0.99 0.72 115.31 120.36 2o7g h LEU 59 Ca 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2o7g h LEU 59 Cb 0.95 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2o7g h LEU 59 CO 0.09 0.42 0.15 0.03 0.09 0.00 0.00 178.44 179.22 2o7g h ARG 60 N 0.54 1.03 -0.23 1.13 3.08 -1.34 -1.24 114.38 117.34 2o7g h ARG 60 Ca 0.15 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.99 2o7g h ARG 60 Cb 0.02 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2o7g h ARG 60 CO -0.03 0.93 -0.03 0.00 -1.07 0.00 0.00 179.97 179.77 2o7g h ALA 61 N 1.06 0.18 -0.96 0.04 0.00 -0.33 -0.10 119.26 119.15 2o7g h ALA 61 Ca 0.20 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2o7g h ALA 61 Cb 0.36 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2o7g h ALA 61 CO 0.00 -0.45 0.59 0.82 0.00 0.00 0.00 179.25 180.21 2o7g h ILE 62 N 0.03 0.93 -0.59 0.00 2.04 0.89 0.04 117.51 120.85 2o7g h ILE 62 Ca 0.11 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2o7g h ILE 62 Cb 0.16 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 2o7g h ILE 62 CO -0.21 0.17 -0.01 1.23 0.00 0.00 0.00 178.15 179.33 2o7g h GLY 63 N 0.96 1.13 0.88 5.37 0.00 -0.23 -3.31 103.07 107.86 2o7g h GLY 63 Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2o7g h GLY 63 CO -0.25 0.77 -1.08 0.00 0.00 0.00 0.00 176.54 175.98 2o7g n ALA 64 N -2.48 2.64 -0.34 3.60 0.00 -0.15 -4.38 120.51 119.41 2o7g n ALA 64 Ca 0.02 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.25 2o7g n ALA 64 Cb 0.35 -1.07 0.24 0.00 0.00 0.00 0.00 19.45 18.98 2o7g n ALA 64 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2o7g h ILE 65 N 0.00 0.99 0.00 0.00 2.10 -1.12 0.43 117.51 119.91 2o7g h ILE 65 Ca 0.00 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2o7g h ILE 65 Cb 0.96 -0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 2o7g h ILE 65 CO 0.00 0.18 0.26 -2.65 -1.08 0.00 0.00 178.15 174.87 2o7g n PRO 66 N -4.55 0.02 -0.05 2.19 -0.02 -1.26 -0.74 135.00 130.59 2o7g n PRO 66 Ca 0.17 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 2o7g n PRO 66 Cb 0.29 -1.82 0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2o7g n PRO 66 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2o7g n ARG 67 N -1.44 1.40 -2.33 -0.52 1.74 0.14 -4.89 116.66 110.76 2o7g n ARG 67 Ca -0.00 -1.37 -0.42 0.00 -0.77 0.00 0.00 57.85 55.29 2o7g n ARG 67 Cb 0.27 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 2o7g n ARG 67 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2o7g s PHE 68 N -0.78 3.15 0.00 -1.55 5.36 0.08 -4.89 117.98 119.35 2o7g s PHE 68 Ca 0.11 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 2o7g s PHE 68 Cb 0.07 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 2o7g s PHE 68 CO 0.09 -1.81 0.71 -1.13 -1.46 0.00 0.00 175.22 171.62 2o7g n SER 69 N 4.74 0.95 -0.82 6.13 3.41 -1.26 -4.87 113.62 121.90 2o7g n SER 69 Ca 0.11 -1.46 -0.06 0.00 -0.26 0.00 0.00 58.87 57.20 2o7g n SER 69 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2o7g n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2o7g n ALA 70 N -0.23 -0.21 0.32 7.33 0.00 -1.26 -4.89 120.51 121.57 2o7g n ALA 70 Ca 0.00 0.06 0.21 0.00 0.00 0.00 0.00 53.44 53.71 2o7g n ALA 70 Cb 0.36 -1.15 1.11 0.00 0.00 0.00 0.00 19.45 19.77 2o7g n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o7g h ARG 71 N -0.11 0.00 -4.25 0.00 3.08 -1.97 -3.43 114.38 107.70 2o7g h ARG 71 Ca -0.15 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.59 2o7g h ARG 71 Cb 1.11 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.07 2o7g h ARG 71 CO 0.18 0.00 -0.24 -1.54 -1.07 0.00 0.00 179.97 177.29 2o7g s SER 72 N -4.94 1.02 0.57 7.04 1.04 -1.26 -5.15 113.70 112.03 2o7g s SER 72 Ca -0.05 -1.53 -0.18 0.00 0.48 0.00 0.00 55.95 54.67 2o7g s SER 72 Cb 0.12 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 2o7g s SER 72 CO 0.37 -1.26 1.14 -0.94 0.98 0.00 0.00 173.24 173.53 2o7g s SER 73 N -3.26 5.52 0.32 7.02 1.04 -1.26 -4.88 113.70 118.21 2o7g s SER 73 Ca 0.32 2.17 0.01 0.00 0.48 0.00 0.00 55.95 58.94 2o7g s SER 73 Cb 0.00 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 64.12 2o7g s SER 73 CO 0.21 -1.35 1.96 0.00 0.98 0.00 0.00 173.24 175.04 2o7g h ALA 74 N 0.92 1.53 -0.86 5.32 0.00 -1.87 -1.71 119.26 122.59 2o7g h ALA 74 Ca -0.49 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.45 2o7g h ALA 74 Cb 1.26 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2o7g h ALA 74 CO 0.56 0.39 0.53 -0.09 0.00 0.00 0.00 179.25 180.64 2o7g h ARG 75 N 0.96 0.93 -0.01 0.00 2.43 -1.90 0.14 114.38 116.93 2o7g h ARG 75 Ca 0.31 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2o7g h ARG 75 Cb 0.05 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2o7g h ARG 75 CO -0.09 0.61 -0.00 1.15 -1.51 0.00 0.00 179.97 180.13 2o7g h THR 76 N 0.95 1.30 -0.48 0.20 2.02 -1.71 -0.35 112.91 114.84 2o7g h THR 76 Ca 0.38 -0.89 0.10 0.00 0.77 0.00 0.00 66.41 66.76 2o7g h THR 76 Cb 0.20 1.89 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 2o7g h THR 76 CO -0.18 0.23 -0.05 -0.25 0.37 0.00 0.00 175.52 175.64 2o7g h TRP 77 N -0.36 -0.13 -0.27 3.16 7.01 -1.11 0.18 115.95 124.44 2o7g h TRP 77 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 2o7g h TRP 77 Cb 0.38 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 2o7g h TRP 77 CO 0.06 -0.15 0.04 1.25 -2.79 0.00 0.00 178.44 176.84 2o7g h LEU 78 N 0.06 0.43 -1.04 0.65 5.85 -0.55 -2.12 115.31 118.60 2o7g h LEU 78 Ca 0.24 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2o7g h LEU 78 Cb 0.36 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2o7g h LEU 78 CO -0.44 0.59 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.04 2o7g h LEU 79 N 0.26 0.52 -0.60 2.25 3.38 -0.92 -0.71 115.31 119.49 2o7g h LEU 79 Ca 0.08 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2o7g h LEU 79 Cb 0.34 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2o7g h LEU 79 CO 0.01 0.68 0.31 0.00 0.09 0.00 0.00 178.44 179.53 2o7g h ALA 80 N 1.37 0.78 -0.60 1.53 0.00 -0.22 0.46 119.26 122.59 2o7g h ALA 80 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2o7g h ALA 80 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2o7g h ALA 80 CO 0.03 -0.03 0.33 0.82 0.00 0.00 0.00 179.25 180.40 2o7g h ILE 81 N 0.58 1.19 -0.81 0.00 2.04 -0.99 -1.90 117.51 117.62 2o7g h ILE 81 Ca 0.27 -0.49 0.13 0.00 1.00 0.00 0.00 64.86 65.77 2o7g h ILE 81 Cb 0.18 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2o7g h ILE 81 CO -0.18 0.21 0.53 0.00 0.00 0.00 0.00 178.15 178.71 2o7g h ALA 82 N 1.15 1.90 -0.29 1.87 0.00 -0.18 -0.80 119.26 122.92 2o7g h ALA 82 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2o7g h ALA 82 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2o7g h ALA 82 CO -0.03 -0.10 -0.15 -0.09 0.00 0.00 0.00 179.25 178.87 2o7g h ARG 83 N 0.61 0.61 -0.62 0.00 2.43 -0.18 -1.45 114.38 115.79 2o7g h ARG 83 Ca 0.39 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2o7g h ARG 83 Cb 0.67 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 2o7g h ARG 83 CO -0.16 0.85 0.39 0.45 -1.51 0.00 0.00 179.97 179.99 2o7g h HIS 84 N 0.36 0.79 -0.86 2.20 3.86 -0.71 0.32 115.15 121.11 2o7g h HIS 84 Ca 0.06 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2o7g h HIS 84 Cb 0.68 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 2o7g h HIS 84 CO 0.06 0.52 0.56 0.28 0.86 0.00 0.00 177.93 180.22 2o7g h VAL 85 N 0.83 1.17 -0.27 2.45 2.07 -1.03 0.97 116.25 122.44 2o7g h VAL 85 Ca 0.22 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2o7g h VAL 85 Cb -0.06 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 2o7g h VAL 85 CO -0.04 0.20 -0.08 0.58 0.02 0.00 0.00 177.57 178.25 2o7g h VAL 86 N 1.12 1.28 -0.05 2.57 2.07 -0.83 -2.88 116.25 119.53 2o7g h VAL 86 Ca 0.33 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2o7g h VAL 86 Cb -0.05 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 2o7g h VAL 86 CO -0.10 0.35 -0.28 0.00 0.02 0.00 0.00 177.57 177.56 2o7g h ALA 87 N 0.77 -0.36 -0.99 1.67 0.00 -0.38 -0.55 119.26 119.42 2o7g h ALA 87 Ca 0.07 0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.25 2o7g h ALA 87 Cb 0.56 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2o7g h ALA 87 CO 0.03 -0.77 0.68 -0.44 0.00 0.00 0.00 179.25 178.74 2o7g h ASP 88 N -0.40 0.23 0.88 0.00 3.32 -0.84 -2.39 116.42 117.22 2o7g h ASP 88 Ca 0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2o7g h ASP 88 Cb 0.51 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2o7g h ASP 88 CO -0.28 0.07 -0.38 1.57 -1.72 0.00 0.00 179.24 178.50 2o7g n HIS 89 N -4.42 0.35 -3.45 4.55 -0.00 -0.24 -4.45 115.22 107.56 2o7g n HIS 89 Ca 0.22 0.10 -0.43 0.00 -0.00 0.00 0.00 57.72 57.61 2o7g n HIS 89 Cb 0.92 -0.56 -0.08 0.00 -0.00 0.00 0.00 29.99 30.28 2o7g n HIS 89 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 2o7g s ILE 90 N -3.08 4.84 -2.15 3.57 -4.36 -0.90 -5.10 121.20 114.02 2o7g s ILE 90 Ca 0.10 -1.32 0.31 0.00 -0.26 0.00 0.00 60.65 59.48 2o7g s ILE 90 Cb 0.15 -3.98 0.80 0.00 1.25 0.00 0.00 42.46 40.69 2o7g s ILE 90 CO 0.66 -0.63 2.09 0.54 0.24 0.00 0.00 174.94 177.83