#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otr s LEU 2 N 0.00 1.47 0.00 4.03 2.34 -1.26 -4.85 118.68 120.42 2otr s LEU 2 Ca 0.00 0.01 -0.06 0.00 0.06 0.00 0.00 54.13 54.14 2otr s LEU 2 Cb 0.00 0.64 0.08 0.00 -0.56 0.00 0.00 46.19 46.35 2otr s LEU 2 CO 0.00 -0.24 0.49 0.41 -1.06 0.00 0.00 176.35 175.94 2otr n THR 3 N 2.07 0.00 -3.63 5.48 -1.04 -1.20 -4.75 114.28 111.21 2otr n THR 3 Ca -0.19 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 61.22 2otr n THR 3 Cb 0.57 -1.81 -0.17 0.00 -1.82 0.00 0.00 70.33 67.10 2otr n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2otr s ILE 4 N -2.05 -0.09 0.30 12.58 1.09 -1.26 -1.39 121.20 130.39 2otr s ILE 4 Ca 0.28 0.01 0.09 0.00 -1.10 0.00 0.00 60.65 59.93 2otr s ILE 4 Cb -0.01 -0.45 -0.04 0.00 -1.06 0.00 0.00 42.46 40.90 2otr s ILE 4 CO 0.19 -0.14 0.06 -1.61 -0.10 0.00 0.00 174.94 173.35 2otr s GLU 5 N 2.14 2.33 -0.01 2.79 0.41 -0.43 -4.98 118.70 120.96 2otr s GLU 5 Ca 0.03 -1.48 -0.03 0.00 -0.41 0.00 0.00 54.97 53.08 2otr s GLU 5 Cb -0.15 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.04 2otr s GLU 5 CO -0.07 0.25 0.06 0.95 -0.49 0.00 0.00 175.26 175.95 2otr s THR 6 N -2.37 0.03 0.83 3.63 -4.23 -1.26 -0.34 115.64 111.92 2otr s THR 6 Ca 0.34 -0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 2otr s THR 6 Cb -0.04 -0.18 0.14 0.00 1.34 0.00 0.00 72.50 73.75 2otr s THR 6 CO 0.21 -0.15 1.15 -0.44 -0.54 0.00 0.00 174.62 174.86 2otr s SER 7 N -0.45 3.96 0.10 3.99 0.01 -1.26 -4.96 113.70 115.10 2otr s SER 7 Ca -0.05 0.20 -0.18 0.00 1.31 0.00 0.00 55.95 57.23 2otr s SER 7 Cb -0.03 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 2otr s SER 7 CO 0.00 -2.17 1.59 0.11 0.41 0.00 0.00 173.24 173.18 2otr h LYS 8 N -1.06 0.49 0.00 12.44 1.57 -1.97 -2.42 116.57 125.62 2otr h LYS 8 Ca -0.43 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2otr h LYS 8 Cb 1.27 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2otr h LYS 8 CO 0.46 0.57 -0.01 0.87 -0.57 0.00 0.00 179.45 180.77 2otr h LYS 9 N 0.32 0.00 -0.16 3.15 1.57 -1.95 -1.54 116.57 117.96 2otr h LYS 9 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2otr h LYS 9 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2otr h LYS 9 CO 0.00 0.01 -0.18 0.35 -0.57 0.00 0.00 179.45 179.07 2otr h PHE 10 N 0.00 0.29 -0.31 -1.35 3.04 -1.60 0.32 116.94 117.33 2otr h PHE 10 Ca -0.00 -0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 2otr h PHE 10 Cb 0.06 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 2otr h PHE 10 CO 0.00 0.45 -0.06 0.22 -2.02 0.00 0.00 178.31 176.90 2otr h ASP 11 N 0.26 0.59 0.74 0.41 3.58 -1.35 -1.96 116.42 118.68 2otr h ASP 11 Ca 0.05 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2otr h ASP 11 Cb 0.47 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2otr h ASP 11 CO 0.03 0.80 -0.14 2.29 -2.88 0.00 0.00 179.24 179.34 2otr n LYS 12 N -4.49 0.14 0.01 0.28 2.85 -1.10 -2.74 118.16 113.12 2otr n LYS 12 Ca -0.03 -0.04 -0.03 0.00 -1.05 0.00 0.00 58.31 57.17 2otr n LYS 12 Cb 0.31 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.09 2otr n LYS 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2otr n ASP 13 N -1.40 0.87 -0.01 -5.58 9.92 0.08 -4.10 116.55 116.33 2otr n ASP 13 Ca 0.08 0.39 -0.22 0.00 -0.53 0.00 0.00 54.79 54.52 2otr n ASP 13 Cb 0.32 0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.74 2otr n ASP 13 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2otr h LEU 14 N 0.00 0.36 -2.11 0.64 5.85 -1.40 -3.33 115.31 115.31 2otr h LEU 14 Ca -0.21 -0.88 0.07 0.00 0.84 0.00 0.00 57.88 57.70 2otr h LEU 14 Cb 1.74 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 2otr h LEU 14 CO 0.06 1.80 0.32 0.07 -0.34 0.00 0.00 178.44 180.34 2otr h LYS 15 N -0.11 0.00 0.05 1.25 2.10 -1.71 0.29 116.57 118.44 2otr h LYS 15 Ca -0.41 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 57.98 2otr h LYS 15 Cb 1.92 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.22 2otr h LYS 15 CO 0.04 0.00 -1.33 0.82 -2.00 0.00 0.00 179.45 176.98 2otr h ILE 16 N 0.00 1.35 0.19 0.07 1.08 -1.71 -3.28 117.51 115.20 2otr h ILE 16 Ca 0.11 -3.05 -0.32 0.00 -0.39 0.00 0.00 64.86 61.20 2otr h ILE 16 Cb 0.74 2.74 0.02 0.00 -3.07 0.00 0.00 36.82 37.25 2otr h ILE 16 CO -0.00 0.82 -1.50 -0.07 -0.69 0.00 0.00 178.15 176.70 2otr h LEU 17 N 0.03 0.62 -1.95 1.44 3.38 -0.92 -3.15 115.31 114.76 2otr h LEU 17 Ca -0.15 -0.75 0.02 0.00 0.09 0.00 0.00 57.88 57.10 2otr h LEU 17 Cb 1.91 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2otr h LEU 17 CO 0.14 1.60 0.08 1.62 0.09 0.00 0.00 178.44 181.97 2otr h VAL 18 N 0.11 0.98 0.04 1.22 3.04 -0.71 0.66 116.25 121.58 2otr h VAL 18 Ca -0.25 -0.02 -0.12 0.00 -1.01 0.00 0.00 66.70 65.30 2otr h VAL 18 Cb 2.09 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 32.28 2otr h VAL 18 CO 0.22 0.01 -0.49 0.50 -1.01 0.00 0.00 177.57 176.80 2otr h LYS 19 N 0.06 0.27 -0.04 4.17 3.11 -1.64 -3.28 116.57 119.23 2otr h LYS 19 Ca 0.05 -0.34 -0.13 0.00 -2.81 0.00 0.00 60.65 57.42 2otr h LYS 19 Cb 0.13 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2otr h LYS 19 CO -0.01 1.07 -0.58 -0.91 -2.81 0.00 0.00 179.45 176.21 2otr h ASN 20 N -0.38 0.16 0.00 4.20 2.35 -1.40 -3.46 115.58 117.05 2otr h ASN 20 Ca -0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2otr h ASN 20 Cb 1.28 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2otr h ASN 20 CO 0.10 0.71 0.00 0.61 -1.65 0.00 0.00 177.43 177.19 2otr n GLY 21 N 0.19 -0.79 3.50 2.83 0.00 0.21 -5.10 105.19 106.04 2otr n GLY 21 Ca -0.02 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2otr n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2otr s PHE 22 N 0.00 0.04 0.14 1.61 5.36 -0.25 -4.80 117.98 120.08 2otr s PHE 22 Ca 0.00 -0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 55.51 2otr s PHE 22 Cb 0.00 0.29 -0.02 0.00 -0.34 0.00 0.00 43.02 42.95 2otr s PHE 22 CO 0.00 -0.89 0.21 0.34 -1.46 0.00 0.00 175.22 173.42 2otr s ASP 23 N -2.91 0.13 -0.10 6.13 -1.08 -1.26 -4.37 116.67 113.21 2otr s ASP 23 Ca 0.12 -0.93 0.16 0.00 -0.52 0.00 0.00 52.55 51.38 2otr s ASP 23 Cb -0.00 0.38 -0.23 0.00 -1.46 0.00 0.00 42.92 41.61 2otr s ASP 23 CO -0.01 -0.83 0.42 0.18 0.52 0.00 0.00 175.17 175.46 2otr n LEU 24 N -0.16 0.46 -0.00 -1.34 4.32 -1.26 -4.15 117.00 114.87 2otr n LEU 24 Ca -0.08 0.22 0.08 0.00 -0.02 0.00 0.00 56.01 56.21 2otr n LEU 24 Cb 0.63 0.29 0.49 0.00 -1.62 0.00 0.00 43.42 43.21 2otr n LEU 24 CO 0.26 0.39 1.16 0.11 -1.22 0.00 0.00 177.39 178.09 2otr h LYS 25 N 0.00 0.41 -0.01 3.23 6.56 -2.00 -0.75 116.57 124.01 2otr h LYS 25 Ca -0.37 -0.02 -0.15 0.00 -1.06 0.00 0.00 60.65 59.04 2otr h LYS 25 Cb 2.02 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 33.57 2otr h LYS 25 CO 0.05 0.27 -0.71 1.37 -2.06 0.00 0.00 179.45 178.37 2otr h LEU 26 N 0.42 0.06 -0.75 2.94 8.10 -2.00 -2.88 115.31 121.20 2otr h LEU 26 Ca 0.19 -0.04 -0.09 0.00 0.11 0.00 0.00 57.88 58.05 2otr h LEU 26 Cb 0.21 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 2otr h LEU 26 CO -0.05 0.76 -0.41 0.25 -4.11 0.00 0.00 178.44 174.88 2otr h LEU 27 N 0.03 0.00 0.00 0.17 6.46 -1.32 -0.50 115.31 120.15 2otr h LEU 27 Ca -0.01 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.56 2otr h LEU 27 Cb 1.26 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 2otr h LEU 27 CO 0.10 0.41 -0.93 1.88 -0.62 0.00 0.00 178.44 179.28 2otr h TYR 28 N 0.00 0.00 0.10 1.25 0.05 -1.28 -3.26 116.97 113.83 2otr h TYR 28 Ca -0.00 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.45 2otr h TYR 28 Cb 1.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 2otr h TYR 28 CO 0.00 0.86 -1.74 0.87 -1.05 0.00 0.00 178.16 177.10 2otr h LYS 29 N 0.00 0.21 0.00 4.88 6.56 -1.42 -3.33 116.57 123.46 2otr h LYS 29 Ca -0.03 -0.35 -0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2otr h LYS 29 Cb 1.68 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 33.47 2otr h LYS 29 CO 0.11 1.02 -0.01 -0.24 -2.06 0.00 0.00 179.45 178.26 2otr h VAL 30 N 0.06 0.12 -1.17 0.50 3.04 -1.20 -2.79 116.25 114.81 2otr h VAL 30 Ca -0.32 -0.17 0.33 0.00 -1.01 0.00 0.00 66.70 65.54 2otr h VAL 30 Cb 2.03 1.14 -0.07 0.00 -2.01 0.00 0.00 31.29 32.38 2otr h VAL 30 CO 0.12 0.01 0.81 -0.37 -1.01 0.00 0.00 177.57 177.13 2otr h VAL 31 N 0.00 0.41 0.00 1.51 -1.51 -1.67 0.85 116.25 115.84 2otr h VAL 31 Ca -0.00 -0.05 -0.07 0.00 -1.23 0.00 0.00 66.70 65.36 2otr h VAL 31 Cb 0.14 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 2otr h VAL 31 CO 0.00 0.02 -0.32 1.23 -1.23 0.00 0.00 177.57 177.28 2otr h GLY 32 N 0.13 0.00 1.01 5.19 0.00 -1.77 -2.87 103.07 104.77 2otr h GLY 32 Ca 0.61 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.72 2otr h GLY 32 CO -0.13 0.00 -1.50 3.43 0.00 0.00 0.00 176.54 178.33 2otr h ASN 33 N 0.00 0.00 -0.36 0.19 2.35 0.45 -3.23 115.58 114.97 2otr h ASN 33 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2otr h ASN 33 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2otr h ASN 33 CO 0.04 0.74 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.47 2otr h LEU 34 N 0.00 0.65 -0.46 1.61 3.38 -1.04 0.87 115.31 120.32 2otr h LEU 34 Ca -0.20 -0.32 -0.17 0.00 0.09 0.00 0.00 57.88 57.28 2otr h LEU 34 Cb 1.74 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2otr h LEU 34 CO 0.06 0.81 -0.53 0.00 0.09 0.00 0.00 178.44 178.87 2otr h ALA 35 N 0.86 0.64 0.15 1.53 0.00 -1.67 -3.26 119.26 117.51 2otr h ALA 35 Ca 0.10 -0.50 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 2otr h ALA 35 Cb 0.49 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.23 2otr h ALA 35 CO 0.02 0.68 -1.16 1.79 0.00 0.00 0.00 179.25 180.59 2otr h THR 36 N 0.52 1.35 -5.27 0.00 1.35 -1.56 -3.48 112.91 105.81 2otr h THR 36 Ca 0.02 -2.50 -0.30 0.00 -0.55 0.00 0.00 66.41 63.08 2otr h THR 36 Cb 1.09 2.90 0.15 0.00 -1.73 0.00 0.00 68.15 70.56 2otr h THR 36 CO 0.11 0.74 -0.69 -0.62 -0.25 0.00 0.00 175.52 174.81 2otr n GLU 37 N -3.89 -5.95 -0.07 4.72 1.02 0.30 -4.98 120.64 111.79 2otr n GLU 37 Ca -0.14 0.76 -0.07 0.00 -0.02 0.00 0.00 57.16 57.69 2otr n GLU 37 Cb 0.95 -5.52 -0.02 0.00 -0.02 0.00 0.00 31.44 26.83 2otr n GLU 37 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2otr n GLN 38 N -3.81 0.43 0.00 3.49 6.02 -1.25 -4.90 117.38 117.36 2otr n GLN 38 Ca -0.26 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2otr n GLN 38 Cb 0.65 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.61 2otr n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2otr n PRO 39 N -4.13 0.00 -0.17 -1.09 -0.04 -1.26 -4.98 135.00 123.33 2otr n PRO 39 Ca -0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 2otr n PRO 39 Cb 0.40 -0.64 -0.01 0.00 -0.04 0.00 0.00 33.50 33.21 2otr n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2otr n LEU 40 N -0.24 0.00 -4.76 1.53 7.99 -1.26 -4.78 117.00 115.49 2otr n LEU 40 Ca 0.00 0.19 -0.33 0.00 -0.01 0.00 0.00 56.01 55.86 2otr n LEU 40 Cb 0.00 -0.62 -0.07 0.00 -0.11 0.00 0.00 43.42 42.62 2otr n LEU 40 CO 0.00 -0.74 -0.27 0.00 -1.51 0.00 0.00 177.39 174.88 2otr s ALA 41 N -1.41 3.51 0.16 -1.18 0.00 -1.22 -4.98 121.76 116.65 2otr s ALA 41 Ca 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.17 2otr s ALA 41 Cb 0.00 -1.51 0.18 0.00 0.00 0.00 0.00 23.12 21.79 2otr s ALA 41 CO 0.00 0.69 1.50 -1.00 0.00 0.00 0.00 175.76 176.94 2otr h PRO 42 N 4.09 0.00 0.00 0.00 0.13 -1.96 0.80 132.00 135.06 2otr h PRO 42 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2otr h PRO 42 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2otr h PRO 42 CO 0.61 0.70 -0.61 1.57 -0.23 0.00 0.00 178.00 180.05 2otr h LYS 43 N 0.00 0.00 0.00 0.86 2.10 -2.01 -3.38 116.57 114.14 2otr h LYS 43 Ca -0.01 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 2otr h LYS 43 Cb 1.33 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.63 2otr h LYS 43 CO 0.09 0.61 -1.50 0.66 -2.00 0.00 0.00 179.45 177.31 2otr n TYR 44 N -3.42 0.00 -1.41 0.07 4.01 -1.20 -5.13 117.16 110.07 2otr n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2otr n TYR 44 Cb 0.71 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2otr n TYR 44 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2otr n LYS 45 N -4.05 -3.81 -3.11 -0.72 4.01 0.28 -4.87 118.16 105.89 2otr n LYS 45 Ca -0.27 2.92 -0.39 0.00 -0.51 0.00 0.00 58.31 60.06 2otr n LYS 45 Cb 0.60 -3.55 -0.05 0.00 -0.51 0.00 0.00 35.03 31.52 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2otr s ASP 46 N -4.64 7.06 -0.10 4.39 -1.08 -1.26 -4.70 116.67 116.35 2otr s ASP 46 Ca 0.00 1.27 -0.32 0.00 -0.52 0.00 0.00 52.55 52.97 2otr s ASP 46 Cb 0.00 -2.41 0.12 0.00 -1.46 0.00 0.00 42.92 39.18 2otr s ASP 46 CO 0.00 0.06 1.15 -1.00 0.52 0.00 0.00 175.17 175.89 2otr s HIS 47 N -0.09 -0.15 1.02 -5.34 3.76 -1.11 -5.05 115.29 108.33 2otr s HIS 47 Ca 0.34 0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 55.14 2otr s HIS 47 Cb -0.19 0.53 0.26 0.00 1.11 0.00 0.00 32.58 34.29 2otr s HIS 47 CO 0.19 -0.32 0.84 -0.35 -0.85 0.00 0.00 174.74 174.26 2otr n PRO 48 N -0.22 -3.03 -0.00 8.40 -0.04 -1.26 -2.61 135.00 136.24 2otr n PRO 48 Ca -0.03 -1.36 -0.01 0.00 -0.04 0.00 0.00 63.50 62.06 2otr n PRO 48 Cb 0.60 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2otr n PRO 48 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2otr n LEU 49 N 0.00 0.13 -3.63 1.53 4.32 -1.25 -4.77 117.00 113.32 2otr n LEU 49 Ca 0.12 0.02 -0.03 0.00 -0.02 0.00 0.00 56.01 56.10 2otr n LEU 49 Cb 0.47 -0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 41.83 2otr n LEU 49 CO 0.32 -0.49 1.14 -0.54 -1.22 0.00 0.00 177.39 176.61 2otr s LYS 50 N -1.12 0.09 0.00 3.23 1.02 -1.26 -5.18 119.74 116.52 2otr s LYS 50 Ca -0.02 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.94 2otr s LYS 50 Cb 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2otr s LYS 50 CO 0.02 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2otr n GLY 51 N 0.01 -0.54 0.00 -3.33 0.00 -1.26 -4.81 105.19 95.27 2otr n GLY 51 Ca 0.04 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 43.92 2otr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otr n GLY 52 N 0.00 -0.46 0.21 -0.02 0.00 -1.26 -4.63 105.19 99.04 2otr n GLY 52 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2otr n GLY 52 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2otr h LEU 53 N 0.00 0.05 2.88 0.99 8.10 -2.01 -3.45 115.31 121.86 2otr h LEU 53 Ca -0.00 0.09 -0.39 0.00 0.11 0.00 0.00 57.88 57.69 2otr h LEU 53 Cb 0.46 0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 40.78 2otr h LEU 53 CO 0.00 0.05 -0.50 0.29 -4.11 0.00 0.00 178.44 174.17 2otr n LYS 54 N -5.09 -1.76 -0.08 0.17 5.02 -1.26 -4.85 118.16 110.31 2otr n LYS 54 Ca 0.07 0.95 -0.09 0.00 -2.02 0.00 0.00 58.31 57.22 2otr n LYS 54 Cb 0.26 -5.60 -0.12 0.00 -0.02 0.00 0.00 35.03 29.55 2otr n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2otr n ASP 55 N -1.96 1.33 -4.79 4.39 9.92 -1.26 -4.96 116.55 119.21 2otr n ASP 55 Ca -0.23 -0.02 -0.39 0.00 -0.53 0.00 0.00 54.79 53.63 2otr n ASP 55 Cb 0.68 0.71 -0.06 0.00 -0.64 0.00 0.00 41.12 41.81 2otr n ASP 55 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2otr s PHE 56 N -2.38 3.73 -0.05 1.24 0.40 -1.26 -2.89 117.98 116.77 2otr s PHE 56 Ca -0.11 1.18 -0.22 0.00 -0.60 0.00 0.00 56.93 57.19 2otr s PHE 56 Cb 0.05 -2.51 0.05 0.00 0.51 0.00 0.00 43.02 41.11 2otr s PHE 56 CO 0.61 0.48 0.48 1.03 0.70 0.00 0.00 175.22 178.53 2otr s ARG 57 N -0.64 0.81 0.12 0.44 0.52 -0.72 -3.91 118.95 115.58 2otr s ARG 57 Ca 0.29 0.11 0.10 0.00 -0.52 0.00 0.00 55.73 55.71 2otr s ARG 57 Cb -0.18 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 2otr s ARG 57 CO 0.17 -0.23 -0.23 -2.00 0.02 0.00 0.00 175.30 173.04 2otr s GLU 58 N -1.06 1.59 0.01 3.54 2.12 -1.07 -0.70 118.70 123.12 2otr s GLU 58 Ca -0.11 -1.27 -0.13 0.00 0.36 0.00 0.00 54.97 53.83 2otr s GLU 58 Cb -0.03 -2.00 0.02 0.00 0.26 0.00 0.00 34.13 32.37 2otr s GLU 58 CO 0.06 0.46 0.27 0.00 -0.54 0.00 0.00 175.26 175.51 2otr s HIS 60 N -1.70 3.52 0.34 0.00 3.76 -1.26 0.88 115.29 120.83 2otr s HIS 60 Ca -0.11 -2.34 0.10 0.00 -0.15 0.00 0.00 55.06 52.56 2otr s HIS 60 Cb -0.04 -3.44 0.62 0.00 1.11 0.00 0.00 32.58 30.83 2otr s HIS 60 CO 0.02 -0.92 1.78 1.37 -0.85 0.00 0.00 174.74 176.14 2otr h LEU 61 N 7.54 0.09 -7.71 0.89 8.10 -1.86 -3.23 115.31 119.13 2otr h LEU 61 Ca -0.02 -0.03 -0.23 0.00 0.11 0.00 0.00 57.88 57.70 2otr h LEU 61 Cb 1.00 -0.02 -0.28 0.00 -0.44 0.00 0.00 40.66 40.92 2otr h LEU 61 CO 0.75 0.47 -0.71 -0.75 -4.11 0.00 0.00 178.44 174.09 2otr s LYS 62 N -4.17 0.01 0.09 0.17 2.47 -1.25 -4.86 119.74 112.20 2otr s LYS 62 Ca -0.03 0.02 -0.35 0.00 -1.56 0.00 0.00 55.97 54.04 2otr s LYS 62 Cb 0.14 -0.01 -0.18 0.00 -1.46 0.00 0.00 37.83 36.33 2otr s LYS 62 CO 0.74 -0.01 1.04 -2.30 0.16 0.00 0.00 175.35 174.98 2otr n PRO 63 N 3.13 0.48 -1.91 4.03 -0.02 -1.26 -0.06 135.00 139.38 2otr n PRO 63 Ca -0.13 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 2otr n PRO 63 Cb 0.59 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 2otr n PRO 63 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2otr n ASP 64 N 1.87 -4.63 -3.66 2.55 9.92 -1.26 -4.98 116.55 116.35 2otr n ASP 64 Ca 0.18 0.15 -0.14 0.00 -0.53 0.00 0.00 54.79 54.45 2otr n ASP 64 Cb 0.17 -3.63 -0.14 0.00 -0.64 0.00 0.00 41.12 36.88 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2otr s LEU 65 N -3.88 -0.23 0.00 0.64 1.02 0.91 -3.87 118.68 113.27 2otr s LEU 65 Ca 0.00 0.52 0.08 0.00 0.02 0.00 0.00 54.13 54.74 2otr s LEU 65 Cb 0.00 0.57 0.08 0.00 0.02 0.00 0.00 46.19 46.86 2otr s LEU 65 CO 0.00 -0.24 0.64 0.00 0.02 0.00 0.00 176.35 176.76 2otr n LEU 66 N 5.34 0.00 -3.15 1.79 -0.00 -1.26 -3.44 117.00 116.28 2otr n LEU 66 Ca -0.06 -2.18 0.05 0.00 -0.00 0.00 0.00 56.01 53.82 2otr n LEU 66 Cb 0.50 -0.32 -0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2otr n LEU 66 CO 0.03 -0.66 0.35 -0.22 -0.00 0.00 0.00 177.39 176.89 2otr s LEU 67 N 0.00 -0.94 -0.04 1.47 0.20 0.25 -3.58 118.68 116.05 2otr s LEU 67 Ca 0.48 0.26 -0.13 0.00 0.69 0.00 0.00 54.13 55.43 2otr s LEU 67 Cb -0.04 1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 47.33 2otr s LEU 67 CO 0.31 -0.17 0.35 -0.69 -0.29 0.00 0.00 176.35 175.85 2otr s VAL 68 N 2.90 5.15 0.12 1.68 1.01 -1.21 -0.87 120.40 129.19 2otr s VAL 68 Ca 0.15 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 2otr s VAL 68 Cb -0.08 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 2otr s VAL 68 CO -0.21 0.57 0.25 -0.72 0.00 0.00 0.00 175.10 174.98 2otr s TYR 69 N -0.91 0.21 -0.12 5.22 -0.85 0.12 0.16 117.35 121.17 2otr s TYR 69 Ca 0.21 -0.60 -0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2otr s TYR 69 Cb -0.15 -0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.18 2otr s TYR 69 CO 0.11 -0.63 -0.09 -1.14 -1.52 0.00 0.00 175.55 172.28 2otr s GLN 70 N -3.89 1.68 0.18 -3.49 0.74 0.21 -1.76 119.66 113.34 2otr s GLN 70 Ca 0.09 -0.32 -0.23 0.00 0.05 0.00 0.00 55.36 54.95 2otr s GLN 70 Cb 0.04 -1.69 -0.08 0.00 1.10 0.00 0.00 33.01 32.38 2otr s GLN 70 CO -0.07 -0.25 0.76 0.42 -0.55 0.00 0.00 175.29 175.59 2otr s ILE 71 N 1.64 4.44 -0.49 -2.34 -1.09 -1.14 -2.60 121.20 119.62 2otr s ILE 71 Ca 0.05 1.56 0.03 0.00 -2.23 0.00 0.00 60.65 60.05 2otr s ILE 71 Cb -0.13 -4.03 0.14 0.00 -1.58 0.00 0.00 42.46 36.86 2otr s ILE 71 CO -0.08 0.42 0.29 -1.59 -1.23 0.00 0.00 174.94 172.74 2otr s LYS 72 N -1.43 1.56 0.63 2.79 0.00 -1.06 -4.93 119.74 117.30 2otr s LYS 72 Ca 0.38 -2.33 0.33 0.00 0.00 0.00 0.00 55.97 54.35 2otr s LYS 72 Cb -0.21 -2.59 1.84 0.00 0.00 0.00 0.00 37.83 36.87 2otr s LYS 72 CO 0.24 -1.19 2.11 1.57 0.00 0.00 0.00 175.35 178.08 2otr h LYS 73 N 6.38 0.00 -0.99 1.78 2.10 -1.95 0.54 116.57 124.43 2otr h LYS 73 Ca 0.03 0.00 0.27 0.00 -2.00 0.00 0.00 60.65 58.94 2otr h LYS 73 Cb 0.89 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.16 2otr h LYS 73 CO 0.54 0.00 0.68 0.37 -2.00 0.00 0.00 179.45 179.05 2otr h GLN 74 N 0.00 0.19 0.00 0.07 5.75 -1.97 -2.90 115.11 116.24 2otr h GLN 74 Ca 0.04 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2otr h GLN 74 Cb 0.44 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2otr h GLN 74 CO -0.00 0.13 -0.28 -0.85 -2.65 0.00 0.00 178.83 175.17 2otr n GLU 75 N -4.40 0.00 -3.57 1.69 0.28 -0.68 -5.05 120.64 108.90 2otr n GLU 75 Ca 0.22 -0.71 -0.19 0.00 -0.16 0.00 0.00 57.16 56.32 2otr n GLU 75 Cb 0.94 -0.43 0.01 0.00 1.43 0.00 0.00 31.44 33.39 2otr n GLU 75 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2otr n ASN 76 N 0.00 -5.76 -3.98 -1.84 4.13 0.10 -4.88 115.26 103.03 2otr n ASN 76 Ca 0.00 -0.72 -0.19 0.00 1.68 0.00 0.00 54.58 55.34 2otr n ASN 76 Cb 0.61 -2.97 -0.15 0.00 -1.54 0.00 0.00 39.78 35.73 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2otr s THR 77 N -3.08 0.66 -0.81 3.41 2.01 -1.14 -3.26 115.64 113.44 2otr s THR 77 Ca 0.08 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2otr s THR 77 Cb -0.03 -0.59 0.16 0.00 0.01 0.00 0.00 72.50 72.04 2otr s THR 77 CO 0.85 0.21 0.88 -0.22 -0.69 0.00 0.00 174.62 175.65 2otr s LEU 78 N 0.18 5.84 -0.34 4.42 2.96 -0.48 -2.57 118.68 128.70 2otr s LEU 78 Ca -0.02 -2.17 -0.21 0.00 -0.22 0.00 0.00 54.13 51.51 2otr s LEU 78 Cb -0.08 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.32 2otr s LEU 78 CO 0.00 -0.87 0.66 0.12 -1.32 0.00 0.00 176.35 174.93 2otr s PHE 79 N 1.65 3.17 0.98 5.38 5.36 -1.07 -1.31 117.98 132.14 2otr s PHE 79 Ca 0.22 0.48 -0.13 0.00 -0.96 0.00 0.00 56.93 56.53 2otr s PHE 79 Cb -0.12 -3.12 0.18 0.00 -0.34 0.00 0.00 43.02 39.63 2otr s PHE 79 CO -0.06 -0.58 1.13 -0.51 -1.46 0.00 0.00 175.22 173.75 2otr s LEU 80 N 2.73 1.76 0.00 6.12 1.43 0.53 0.66 118.68 131.91 2otr s LEU 80 Ca 0.26 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2otr s LEU 80 Cb -0.14 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.97 2otr s LEU 80 CO 0.14 -2.94 0.00 0.52 0.23 0.00 0.00 176.35 174.30 2otr n VAL 81 N -4.01 0.00 -4.59 -1.59 0.31 0.41 -4.04 118.33 104.82 2otr n VAL 81 Ca 0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.10 2otr n VAL 81 Cb 0.59 -0.32 -0.08 0.00 -0.91 0.00 0.00 33.84 33.12 2otr n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2otr s ARG 82 N -0.98 2.15 -0.33 5.55 3.52 -0.95 -4.23 118.95 123.68 2otr s ARG 82 Ca 0.00 -2.25 -0.07 0.00 -0.13 0.00 0.00 55.73 53.28 2otr s ARG 82 Cb 0.00 -1.65 0.19 0.00 -1.56 0.00 0.00 34.95 31.93 2otr s ARG 82 CO 0.00 -0.30 0.99 -1.17 -0.81 0.00 0.00 175.30 174.01 2otr s LEU 83 N -3.88 -0.51 0.00 -0.88 1.98 -1.26 -3.29 118.68 110.83 2otr s LEU 83 Ca 0.18 -0.22 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 2otr s LEU 83 Cb 0.03 0.71 0.00 0.00 0.66 0.00 0.00 46.19 47.59 2otr s LEU 83 CO 0.10 -0.06 0.00 0.61 -1.89 0.00 0.00 176.35 175.11 2otr n GLY 84 N 3.93 3.57 3.54 7.98 0.00 -1.23 -4.44 105.19 118.54 2otr n GLY 84 Ca 0.07 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2otr n GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2otr n SER 85 N 0.00 -0.48 0.05 1.61 7.64 -1.25 -4.63 113.62 116.56 2otr n SER 85 Ca 0.00 0.57 -0.02 0.00 1.01 0.00 0.00 58.87 60.43 2otr n SER 85 Cb 0.00 -1.32 0.25 0.00 -1.01 0.00 0.00 64.21 62.13 2otr n SER 85 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2otr h HIS 86 N -0.62 0.42 -0.01 1.43 2.76 -2.00 -2.37 115.15 114.77 2otr h HIS 86 Ca -0.46 -0.08 -0.18 0.00 -2.20 0.00 0.00 60.37 57.45 2otr h HIS 86 Cb 1.33 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 2otr h HIS 86 CO 0.39 0.60 -0.82 0.66 -1.30 0.00 0.00 177.93 177.46 2otr h SER 87 N 0.34 0.22 -0.11 3.26 4.64 -1.90 -2.65 113.55 117.35 2otr h SER 87 Ca 0.05 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 2otr h SER 87 Cb 0.62 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2otr h SER 87 CO 0.04 0.94 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.85 2otr h GLU 88 N 0.10 0.20 -0.70 4.77 4.81 -1.85 -3.12 114.58 118.79 2otr h GLU 88 Ca -0.03 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2otr h GLU 88 Cb 1.42 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 2otr h GLU 88 CO 0.12 0.50 0.21 -0.07 -0.73 0.00 0.00 179.01 179.05 2otr h LEU 89 N -0.11 1.02 0.00 1.64 4.07 -1.50 -3.50 115.31 116.94 2otr h LEU 89 Ca 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2otr h LEU 89 Cb 0.42 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2otr h LEU 89 CO 0.01 0.95 0.00 0.49 -1.08 0.00 0.00 178.44 178.81