#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 3.89 0.00 -0.89 2.34 -1.26 -4.96 118.68 117.80 2otr s LEU 2 Ca 0.00 0.22 -0.15 0.00 0.06 0.00 0.00 54.13 54.26 2otr s LEU 2 Cb 0.00 -1.94 0.23 0.00 -0.56 0.00 0.00 46.19 43.92 2otr s LEU 2 CO 0.00 0.32 0.51 0.41 -1.06 0.00 0.00 176.35 176.53 2otr n THR 3 N 2.56 0.00 -3.72 5.48 -1.04 -1.18 -4.53 114.28 111.85 2otr n THR 3 Ca -0.18 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.58 2otr n THR 3 Cb 0.54 -0.58 -0.17 0.00 -1.82 0.00 0.00 70.33 68.29 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 -1.68 0.30 0.25 12.58 1.09 -1.26 -1.03 121.20 131.46 2otr s ILE 4 Ca 0.40 -0.11 0.08 0.00 -1.10 0.00 0.00 60.65 59.92 2otr s ILE 4 Cb -0.07 -0.66 -0.04 0.00 -1.06 0.00 0.00 42.46 40.63 2otr s ILE 4 CO 0.33 0.02 0.11 -1.61 -0.10 0.00 0.00 174.94 173.69 2otr s GLU 5 N 1.98 2.68 0.02 2.79 0.41 -0.19 -4.97 118.70 121.42 2otr s GLU 5 Ca 0.03 -1.18 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 2otr s GLU 5 Cb -0.14 -2.41 -0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2otr s GLU 5 CO -0.06 0.39 -0.04 0.95 -0.49 0.00 0.00 175.26 176.01 2otr s THR 6 N -2.18 0.20 0.00 3.63 -4.23 -1.26 -0.93 115.64 110.86 2otr s THR 6 Ca 0.32 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2otr s THR 6 Cb -0.07 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.43 2otr s THR 6 CO 0.23 -0.48 0.00 -0.24 -0.54 0.00 0.00 174.62 173.59 2otr n SER 7 N 1.57 1.82 0.00 3.99 2.88 -1.26 -4.97 113.62 117.64 2otr n SER 7 Ca -0.24 -0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 56.25 2otr n SER 7 Cb 0.55 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.88 2otr n SER 7 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2otr h LYS 8 N 0.00 0.25 -0.35 -1.46 1.57 -1.96 -2.98 116.57 111.64 2otr h LYS 8 Ca 0.00 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2otr h LYS 8 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2otr h LYS 8 CO 0.00 1.10 0.15 0.87 -0.57 0.00 0.00 179.45 180.99 2otr h LYS 9 N -0.44 0.48 -0.29 3.15 1.57 -1.98 -1.16 116.57 117.90 2otr h LYS 9 Ca -0.08 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 2otr h LYS 9 Cb 1.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2otr h LYS 9 CO 0.10 0.40 -0.42 0.35 -0.57 0.00 0.00 179.45 179.30 2otr h PHE 10 N 0.49 0.87 0.00 -1.35 3.57 -1.51 -2.45 116.94 116.56 2otr h PHE 10 Ca 0.12 -0.27 -0.13 0.00 3.53 0.00 0.00 57.97 61.23 2otr h PHE 10 Cb 0.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2otr h PHE 10 CO 0.00 1.02 -0.62 0.22 -2.23 0.00 0.00 178.31 176.71 2otr h ASP 11 N 0.59 0.00 1.36 0.41 3.58 -1.23 -2.35 116.42 118.78 2otr h ASP 11 Ca 0.04 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 2otr h ASP 11 Cb 0.97 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2otr h ASP 11 CO 0.09 0.62 -0.26 0.11 -2.88 0.00 0.00 179.24 176.92 2otr h LYS 12 N 0.00 0.00 0.07 0.28 1.57 -1.09 -2.94 116.57 114.45 2otr h LYS 12 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2otr h LYS 12 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2otr h LYS 12 CO 0.08 0.26 -0.93 0.22 -0.57 0.00 0.00 179.45 178.51 2otr h ASP 13 N 0.00 0.22 -0.76 0.86 1.82 -1.28 -3.36 116.42 113.92 2otr h ASP 13 Ca -0.00 -0.83 0.01 0.00 -0.39 0.00 0.00 57.03 55.82 2otr h ASP 13 Cb 1.01 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.91 2otr h ASP 13 CO 0.03 1.40 0.50 -0.07 -1.61 0.00 0.00 179.24 179.50 2otr h LEU 14 N -0.64 0.86 -2.17 2.28 3.38 -1.51 -1.36 115.31 116.15 2otr h LEU 14 Ca -0.21 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2otr h LEU 14 Cb 1.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2otr h LEU 14 CO 0.00 0.62 0.20 0.07 0.09 0.00 0.00 178.44 179.41 2otr h LYS 15 N 1.01 0.00 0.08 1.13 2.10 -1.66 0.41 116.57 119.65 2otr h LYS 15 Ca 0.28 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.66 2otr h LYS 15 Cb -0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2otr h LYS 15 CO -0.07 0.00 -1.33 0.82 -2.00 0.00 0.00 179.45 176.87 2otr h ILE 16 N 0.00 1.37 0.23 0.07 1.08 -1.39 -3.26 117.51 115.61 2otr h ILE 16 Ca 0.10 -3.02 -0.30 0.00 -0.39 0.00 0.00 64.86 61.25 2otr h ILE 16 Cb 0.49 2.81 0.03 0.00 -3.07 0.00 0.00 36.82 37.09 2otr h ILE 16 CO -0.00 0.85 -1.30 -0.07 -0.69 0.00 0.00 178.15 176.94 2otr h LEU 17 N 0.05 0.75 -2.03 1.44 3.38 -0.97 -3.07 115.31 114.86 2otr h LEU 17 Ca -0.16 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 56.94 2otr h LEU 17 Cb 1.94 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 2otr h LEU 17 CO 0.16 1.63 0.15 1.62 0.09 0.00 0.00 178.44 182.09 2otr h VAL 18 N 0.00 0.85 0.03 1.22 3.04 -0.39 -0.58 116.25 120.42 2otr h VAL 18 Ca -0.23 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.23 2otr h VAL 18 Cb 2.03 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2otr h VAL 18 CO 0.24 0.00 -1.14 0.50 -1.01 0.00 0.00 177.57 176.16 2otr h LYS 19 N 0.00 0.06 -0.98 4.17 3.64 -1.62 -3.28 116.57 118.57 2otr h LYS 19 Ca 0.10 -0.11 -0.52 0.00 -1.27 0.00 0.00 60.65 58.85 2otr h LYS 19 Cb 0.40 0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 31.96 2otr h LYS 19 CO -0.00 1.00 0.64 0.09 -2.27 0.00 0.00 179.45 178.91 2otr n ASN 20 N -3.36 3.86 -1.04 4.20 3.02 -0.32 -4.93 115.26 116.68 2otr n ASN 20 Ca -0.04 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 2otr n ASN 20 Cb 0.97 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2otr n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2otr n GLY 21 N -1.14 -2.00 3.18 7.41 0.00 -0.62 -4.99 105.19 107.03 2otr n GLY 21 Ca 0.59 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.26 0.71 1.61 2.19 -1.09 -4.72 117.98 116.42 2otr s PHE 22 Ca 0.00 0.33 -0.11 0.00 0.33 0.00 0.00 56.93 57.48 2otr s PHE 22 Cb 0.00 0.11 0.01 0.00 -1.31 0.00 0.00 43.02 41.83 2otr s PHE 22 CO 0.00 -0.14 1.06 -0.51 1.83 0.00 0.00 175.22 177.47 2otr s ASP 23 N 2.70 5.28 -0.11 6.13 1.01 -1.26 -4.06 116.67 126.35 2otr s ASP 23 Ca -0.04 1.60 0.17 0.00 0.71 0.00 0.00 52.55 54.99 2otr s ASP 23 Cb -0.07 -2.46 -0.24 0.00 1.01 0.00 0.00 42.92 41.16 2otr s ASP 23 CO -0.11 -1.50 0.33 0.00 0.21 0.00 0.00 175.17 174.10 2otr n LEU 24 N -3.17 0.28 0.17 1.23 -0.00 -1.26 -4.23 117.00 110.03 2otr n LEU 24 Ca 0.08 0.13 0.02 0.00 -0.00 0.00 0.00 56.01 56.23 2otr n LEU 24 Cb 0.54 0.32 0.31 0.00 -0.00 0.00 0.00 43.42 44.58 2otr n LEU 24 CO 0.56 0.37 0.66 0.11 -0.00 0.00 0.00 177.39 179.08 2otr h LYS 25 N 0.00 0.00 -0.22 1.47 1.57 -2.01 -2.81 116.57 114.57 2otr h LYS 25 Ca -0.38 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2otr h LYS 25 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 2otr h LYS 25 CO 0.04 0.44 0.15 1.37 -0.57 0.00 0.00 179.45 180.89 2otr h LEU 26 N 0.00 0.11 -0.52 2.94 8.10 -1.99 0.15 115.31 124.10 2otr h LEU 26 Ca -0.00 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2otr h LEU 26 Cb 0.80 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.99 2otr h LEU 26 CO 0.06 0.07 -0.31 0.25 -4.11 0.00 0.00 178.44 174.40 2otr h LEU 27 N 0.12 0.00 0.01 0.17 7.12 -1.72 -0.43 115.31 120.59 2otr h LEU 27 Ca 0.10 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.87 2otr h LEU 27 Cb 0.24 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 2otr h LEU 27 CO -0.01 0.31 -1.19 1.88 -0.13 0.00 0.00 178.44 179.30 2otr h TYR 28 N 0.00 0.05 0.05 1.25 0.05 -1.06 -3.29 116.97 114.02 2otr h TYR 28 Ca -0.00 -0.04 -0.31 0.00 0.05 0.00 0.00 58.73 58.44 2otr h TYR 28 Cb 1.04 -0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 2otr h TYR 28 CO 0.00 1.03 -1.69 -0.22 -1.05 0.00 0.00 178.16 176.24 2otr h LYS 29 N 0.01 0.11 0.00 4.88 3.64 -1.32 -3.33 116.57 120.56 2otr h LYS 29 Ca -0.09 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2otr h LYS 29 Cb 1.85 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.74 2otr h LYS 29 CO 0.12 0.82 -0.02 -0.24 -2.27 0.00 0.00 179.45 177.86 2otr h VAL 30 N 0.03 0.17 -1.04 2.00 3.04 -1.19 -2.83 116.25 116.42 2otr h VAL 30 Ca -0.29 -0.19 0.28 0.00 -1.01 0.00 0.00 66.70 65.50 2otr h VAL 30 Cb 2.00 1.15 -0.12 0.00 -2.01 0.00 0.00 31.29 32.32 2otr h VAL 30 CO 0.10 0.02 0.64 0.58 -1.01 0.00 0.00 177.57 177.90 2otr h VAL 31 N 0.00 0.46 -0.19 1.51 2.07 -1.67 0.64 116.25 119.06 2otr h VAL 31 Ca -0.00 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2otr h VAL 31 Cb 0.15 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2otr h VAL 31 CO 0.00 0.08 -0.10 1.23 0.02 0.00 0.00 177.57 178.80 2otr h GLY 32 N 0.43 0.32 1.00 2.17 0.00 -1.77 -2.35 103.07 102.87 2otr h GLY 32 Ca 0.66 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.70 2otr h GLY 32 CO -0.43 0.18 -1.22 3.43 0.00 0.00 0.00 176.54 178.50 2otr h ASN 33 N 0.29 0.00 -0.37 0.19 -0.26 -0.15 -3.27 115.58 112.00 2otr h ASN 33 Ca 0.06 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.65 2otr h ASN 33 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 2otr h ASN 33 CO 0.02 0.32 -0.37 -0.07 -1.06 0.00 0.00 177.43 176.27 2otr h LEU 34 N 0.00 0.97 -0.38 1.61 3.38 -0.01 0.93 115.31 121.82 2otr h LEU 34 Ca -0.09 -0.47 -0.19 0.00 0.09 0.00 0.00 57.88 57.23 2otr h LEU 34 Cb 1.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2otr h LEU 34 CO 0.03 1.24 -0.69 0.00 0.09 0.00 0.00 178.44 179.10 2otr h ALA 35 N 0.76 0.55 0.16 1.53 0.00 -1.58 -3.30 119.26 117.39 2otr h ALA 35 Ca 0.06 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 2otr h ALA 35 Cb 0.96 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2otr h ALA 35 CO 0.09 0.72 -1.35 1.79 0.00 0.00 0.00 179.25 180.51 2otr h THR 36 N 0.39 1.18 -5.34 0.00 1.35 -1.60 -3.49 112.91 105.39 2otr h THR 36 Ca -0.02 -2.51 -0.25 0.00 -0.55 0.00 0.00 66.41 63.08 2otr h THR 36 Cb 1.27 2.91 0.19 0.00 -1.73 0.00 0.00 68.15 70.78 2otr h THR 36 CO 0.13 0.76 -0.80 -0.62 -0.25 0.00 0.00 175.52 174.73 2otr n GLU 37 N -3.87 -2.68 -0.09 4.72 1.02 0.32 -4.98 120.64 115.07 2otr n GLU 37 Ca -0.21 0.82 -0.18 0.00 -0.02 0.00 0.00 57.16 57.57 2otr n GLU 37 Cb 0.95 -5.63 -0.10 0.00 -0.02 0.00 0.00 31.44 26.65 2otr n GLU 37 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2otr h GLN 38 N -1.13 0.00 0.00 3.49 4.20 -1.94 -3.46 115.11 116.27 2otr h GLN 38 Ca -0.58 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.13 2otr h GLN 38 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2otr h GLN 38 CO 0.42 0.83 0.00 -0.35 -0.67 0.00 0.00 178.83 179.06 2otr n PRO 39 N -4.49 0.00 -1.07 1.46 -0.04 -1.26 -5.04 135.00 124.56 2otr n PRO 39 Ca -0.26 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.35 2otr n PRO 39 Cb 0.58 -0.05 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.00 0.00 -4.86 1.53 4.32 -1.26 -4.78 117.00 111.95 2otr n LEU 40 Ca 0.00 1.15 -0.36 0.00 -0.02 0.00 0.00 56.01 56.78 2otr n LEU 40 Cb 0.00 -3.32 -0.06 0.00 -1.62 0.00 0.00 43.42 38.42 2otr n LEU 40 CO 0.00 -2.26 0.05 0.00 -1.22 0.00 0.00 177.39 173.96 2otr s ALA 41 N -2.00 3.74 0.02 -1.18 0.00 -1.22 -4.98 121.76 116.14 2otr s ALA 41 Ca 0.00 -0.36 0.20 0.00 0.00 0.00 0.00 51.96 51.81 2otr s ALA 41 Cb 0.00 -2.27 0.58 0.00 0.00 0.00 0.00 23.12 21.43 2otr s ALA 41 CO 0.00 0.54 1.68 -1.00 0.00 0.00 0.00 175.76 176.98 2otr h PRO 42 N 4.34 0.00 0.00 0.00 0.13 -1.95 0.10 132.00 134.62 2otr h PRO 42 Ca -0.51 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.39 2otr h PRO 42 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2otr h PRO 42 CO 0.63 0.33 -1.25 1.57 -0.23 0.00 0.00 178.00 179.05 2otr h LYS 43 N 0.00 0.00 0.00 0.86 -0.00 -2.00 -3.40 116.57 112.03 2otr h LYS 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2otr h LYS 43 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.22 2otr h LYS 43 CO 0.04 0.71 -0.61 0.66 -0.00 0.00 0.00 179.45 180.26 2otr n TYR 44 N -3.19 0.35 -1.44 0.07 4.01 -1.20 -5.11 117.16 110.65 2otr n TYR 44 Ca -0.07 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2otr n TYR 44 Cb 0.96 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 -4.08 -3.78 -3.54 -0.72 4.76 0.36 -4.91 118.16 106.25 2otr n LYS 45 Ca -0.08 2.93 -0.36 0.00 -2.87 0.00 0.00 58.31 57.92 2otr n LYS 45 Cb 0.32 -3.65 -0.06 0.00 -1.84 0.00 0.00 35.03 29.80 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2otr s ASP 46 N -5.11 6.72 -0.16 4.39 2.15 -1.26 -4.63 116.67 118.77 2otr s ASP 46 Ca 0.00 0.88 -0.20 0.00 0.43 0.00 0.00 52.55 53.66 2otr s ASP 46 Cb 0.00 -2.22 0.05 0.00 -0.30 0.00 0.00 42.92 40.46 2otr s ASP 46 CO 0.00 0.25 0.53 -1.38 -0.17 0.00 0.00 175.17 174.40 2otr s HIS 47 N -1.24 -0.55 0.00 -5.34 -3.43 -1.23 -5.05 115.29 98.45 2otr s HIS 47 Ca 0.28 1.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 2otr s HIS 47 Cb -0.15 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 2otr s HIS 47 CO 0.15 -0.33 0.00 -0.35 -2.00 0.00 0.00 174.74 172.21 2otr n PRO 48 N 2.40 -0.35 -3.22 -0.38 -0.04 -1.26 -3.49 135.00 128.66 2otr n PRO 48 Ca -0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 2otr n PRO 48 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.00 -3.88 1.53 4.77 -1.20 -4.89 117.00 113.33 2otr n LEU 49 Ca 0.00 -1.62 -0.08 0.00 -0.03 0.00 0.00 56.01 54.28 2otr n LEU 49 Cb 0.00 0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 2otr n LEU 49 CO 0.00 -0.25 0.42 -0.54 -1.33 0.00 0.00 177.39 175.69 2otr s LYS 50 N -2.78 1.86 -0.30 3.23 1.02 -0.59 -4.38 119.74 117.81 2otr s LYS 50 Ca 0.13 -1.17 -0.00 0.00 0.02 0.00 0.00 55.97 54.95 2otr s LYS 50 Cb 0.01 0.58 -0.00 0.00 -0.52 0.00 0.00 37.83 37.90 2otr s LYS 50 CO 0.09 -0.84 0.25 0.41 -0.92 0.00 0.00 175.35 174.34 2otr n GLY 51 N -0.47 0.24 0.00 -3.33 0.00 -1.26 -3.94 105.19 96.44 2otr n GLY 51 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.04 2.91 2.92 -0.02 0.00 -1.26 -5.01 105.19 103.69 2otr n GLY 52 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2otr n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otr s LEU 53 N 0.00 4.04 -0.24 0.99 1.43 -1.25 -4.92 118.68 118.73 2otr s LEU 53 Ca 0.00 -2.57 -0.01 0.00 -1.03 0.00 0.00 54.13 50.52 2otr s LEU 53 Cb 0.00 -1.48 -0.15 0.00 0.03 0.00 0.00 46.19 44.59 2otr s LEU 53 CO 0.00 -0.30 -0.23 0.29 0.23 0.00 0.00 176.35 176.34 2otr n LYS 54 N 3.68 0.59 0.13 1.70 4.76 -1.26 -1.54 118.16 126.22 2otr n LYS 54 Ca 0.05 0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.63 2otr n LYS 54 Cb 0.36 -1.46 0.17 0.00 -1.84 0.00 0.00 35.03 32.26 2otr n LYS 54 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2otr h ASP 55 N -0.18 0.01 -3.87 4.39 3.32 -1.90 -3.39 116.42 114.80 2otr h ASP 55 Ca -0.56 -0.01 -0.53 0.00 0.02 0.00 0.00 57.03 55.95 2otr h ASP 55 Cb 1.78 -0.00 0.09 0.00 0.22 0.00 0.00 39.33 41.41 2otr h ASP 55 CO -0.14 0.63 0.75 -0.36 -1.72 0.00 0.00 179.24 178.39 2otr s PHE 56 N -3.62 2.73 -0.20 4.55 0.40 -1.26 -3.56 117.98 117.02 2otr s PHE 56 Ca -0.01 1.20 -0.15 0.00 -0.60 0.00 0.00 56.93 57.36 2otr s PHE 56 Cb 0.13 -3.93 0.06 0.00 0.51 0.00 0.00 43.02 39.78 2otr s PHE 56 CO 0.76 -2.73 0.52 1.03 0.70 0.00 0.00 175.22 175.50 2otr s ARG 57 N -1.85 0.57 -0.24 0.44 0.52 -0.25 -3.25 118.95 114.89 2otr s ARG 57 Ca 0.53 0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 56.52 2otr s ARG 57 Cb -0.45 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.19 2otr s ARG 57 CO 0.59 -0.11 -0.00 -2.00 0.02 0.00 0.00 175.30 173.79 2otr s GLU 58 N 0.83 3.38 0.04 3.54 2.12 -1.23 -1.74 118.70 125.64 2otr s GLU 58 Ca -0.04 -0.63 0.06 0.00 0.36 0.00 0.00 54.97 54.71 2otr s GLU 58 Cb -0.05 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 2otr s GLU 58 CO -0.07 -0.23 -0.18 0.00 -0.54 0.00 0.00 175.26 174.24 2otr s HIS 60 N -0.77 3.86 0.46 0.00 3.76 -1.26 -0.65 115.29 120.68 2otr s HIS 60 Ca 0.05 -2.81 0.12 0.00 -0.15 0.00 0.00 55.06 52.27 2otr s HIS 60 Cb -0.08 -3.39 1.06 0.00 1.11 0.00 0.00 32.58 31.27 2otr s HIS 60 CO 0.01 -0.82 2.07 1.37 -0.85 0.00 0.00 174.74 176.53 2otr h LEU 61 N 6.48 0.27 -9.91 0.89 8.10 -1.97 -3.22 115.31 115.95 2otr h LEU 61 Ca 0.13 -0.00 -0.56 0.00 0.11 0.00 0.00 57.88 57.55 2otr h LEU 61 Cb 0.87 -0.06 -0.08 0.00 -0.44 0.00 0.00 40.66 40.95 2otr h LEU 61 CO 0.84 0.19 -0.49 -0.54 -4.11 0.00 0.00 178.44 174.33 2otr s LYS 62 N -5.31 2.24 0.00 0.17 1.02 -1.26 -4.68 119.74 111.92 2otr s LYS 62 Ca -0.07 -1.83 0.15 0.00 0.02 0.00 0.00 55.97 54.24 2otr s LYS 62 Cb 0.18 -2.00 0.68 0.00 -0.52 0.00 0.00 37.83 36.17 2otr s LYS 62 CO 0.71 -0.12 1.45 -0.35 -0.92 0.00 0.00 175.35 176.13 2otr n PRO 63 N -1.25 0.08 -2.74 -1.68 -0.04 -1.26 -3.41 135.00 124.70 2otr n PRO 63 Ca -0.01 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 2otr n PRO 63 Cb 0.64 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.70 2otr n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2otr n ASP 64 N -1.42 -0.19 -3.99 3.54 -0.08 -1.26 -5.11 116.55 108.04 2otr n ASP 64 Ca 0.05 -2.16 -0.21 0.00 -1.51 0.00 0.00 54.79 50.95 2otr n ASP 64 Cb 0.15 0.20 -0.16 0.00 2.34 0.00 0.00 41.12 43.65 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2otr s LEU 65 N -3.94 1.69 -0.25 -2.67 1.43 -1.22 -3.66 118.68 110.07 2otr s LEU 65 Ca 0.17 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2otr s LEU 65 Cb 0.40 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 46.03 2otr s LEU 65 CO -0.09 0.04 -0.05 -0.76 0.23 0.00 0.00 176.35 175.73 2otr s LEU 66 N 0.39 3.18 -0.52 1.79 1.02 -0.66 -4.11 118.68 119.77 2otr s LEU 66 Ca -0.07 -0.76 -0.02 0.00 0.02 0.00 0.00 54.13 53.30 2otr s LEU 66 Cb -0.11 -1.70 0.13 0.00 0.02 0.00 0.00 46.19 44.54 2otr s LEU 66 CO 0.01 -0.11 0.31 -0.22 0.02 0.00 0.00 176.35 176.36 2otr s LEU 67 N 1.37 5.12 -1.14 1.79 0.20 0.17 -1.43 118.68 124.76 2otr s LEU 67 Ca 0.02 -2.52 -0.06 0.00 0.69 0.00 0.00 54.13 52.26 2otr s LEU 67 Cb -0.16 -1.81 0.27 0.00 -0.43 0.00 0.00 46.19 44.06 2otr s LEU 67 CO -0.04 -0.42 1.61 0.52 -0.29 0.00 0.00 176.35 177.73 2otr n VAL 68 N 3.91 5.07 -2.45 1.68 0.31 -1.25 -1.08 118.33 124.52 2otr n VAL 68 Ca 0.03 -5.49 -0.25 0.00 -0.01 0.00 0.00 64.34 58.63 2otr n VAL 68 Cb 0.39 -2.15 0.12 0.00 -0.91 0.00 0.00 33.84 31.29 2otr n VAL 68 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 2otr s TYR 69 N -1.89 1.69 -0.11 3.52 -0.85 -0.71 -4.05 117.35 114.95 2otr s TYR 69 Ca 0.34 -0.13 -0.05 0.00 -0.52 0.00 0.00 57.07 56.71 2otr s TYR 69 Cb 0.07 -3.19 0.06 0.00 0.38 0.00 0.00 41.96 39.27 2otr s TYR 69 CO 0.08 -1.83 0.24 -1.14 -1.52 0.00 0.00 175.55 171.37 2otr s GLN 70 N -5.27 0.14 -0.01 -3.49 0.74 -0.78 -1.09 119.66 109.90 2otr s GLN 70 Ca 0.67 0.66 -0.16 0.00 0.05 0.00 0.00 55.36 56.58 2otr s GLN 70 Cb -0.05 -0.09 -0.06 0.00 1.10 0.00 0.00 33.01 33.91 2otr s GLN 70 CO 0.46 -0.26 0.44 0.42 -0.55 0.00 0.00 175.29 175.79 2otr s ILE 71 N 2.11 5.02 -0.43 -2.34 1.09 -1.23 -2.78 121.20 122.64 2otr s ILE 71 Ca -0.01 0.90 -0.08 0.00 -1.10 0.00 0.00 60.65 60.36 2otr s ILE 71 Cb -0.12 -3.75 0.10 0.00 -1.06 0.00 0.00 42.46 37.63 2otr s ILE 71 CO -0.08 0.53 0.27 -1.59 -0.10 0.00 0.00 174.94 173.97 2otr s LYS 72 N -0.78 2.45 0.66 2.79 0.00 -0.84 -4.79 119.74 119.24 2otr s LYS 72 Ca 0.24 -1.62 0.43 0.00 0.00 0.00 0.00 55.97 55.02 2otr s LYS 72 Cb -0.17 -3.78 2.35 0.00 0.00 0.00 0.00 37.83 36.23 2otr s LYS 72 CO 0.13 -1.05 2.34 1.57 0.00 0.00 0.00 175.35 178.35 2otr h LYS 73 N 8.35 0.00 -0.67 1.78 2.10 -1.96 0.14 116.57 126.31 2otr h LYS 73 Ca -0.21 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.64 2otr h LYS 73 Cb 1.07 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.38 2otr h LYS 73 CO 0.78 0.00 0.50 -0.56 -2.00 0.00 0.00 179.45 178.17 2otr h GLN 74 N 0.00 0.00 0.00 0.07 3.07 -1.98 -3.10 115.11 113.17 2otr h GLN 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2otr h GLN 74 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2otr h GLN 74 CO -0.00 0.00 -0.25 -0.85 0.09 0.00 0.00 178.83 177.82 2otr n GLU 75 N -4.24 0.00 -3.44 0.06 0.28 -0.80 -5.06 120.64 107.44 2otr n GLU 75 Ca 0.13 -0.51 -0.23 0.00 -0.16 0.00 0.00 57.16 56.39 2otr n GLU 75 Cb 0.76 -0.27 0.01 0.00 1.43 0.00 0.00 31.44 33.38 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 -6.00 -4.08 -1.84 4.13 0.41 -4.83 115.26 103.05 2otr n ASN 76 Ca 0.00 -0.33 -0.16 0.00 1.68 0.00 0.00 54.58 55.77 2otr n ASN 76 Cb 0.60 -2.81 -0.12 0.00 -1.54 0.00 0.00 39.78 35.91 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 -2.44 0.74 -0.58 3.41 2.01 -1.11 -3.09 115.64 114.59 2otr s THR 77 Ca 0.16 -0.96 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2otr s THR 77 Cb -0.02 -0.73 0.15 0.00 0.01 0.00 0.00 72.50 71.90 2otr s THR 77 CO 0.85 -0.19 0.44 -0.22 -0.69 0.00 0.00 174.62 174.81 2otr s LEU 78 N -1.27 5.75 -0.41 4.42 0.20 -0.19 -1.98 118.68 125.19 2otr s LEU 78 Ca -0.04 -2.32 -0.22 0.00 0.69 0.00 0.00 54.13 52.24 2otr s LEU 78 Cb -0.08 -2.00 0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2otr s LEU 78 CO 0.01 -0.58 0.71 0.12 -0.29 0.00 0.00 176.35 176.32 2otr s PHE 79 N 0.74 3.07 1.02 5.38 5.36 -1.12 -1.02 117.98 131.41 2otr s PHE 79 Ca 0.11 0.19 -0.12 0.00 -0.96 0.00 0.00 56.93 56.14 2otr s PHE 79 Cb -0.22 -3.41 0.20 0.00 -0.34 0.00 0.00 43.02 39.25 2otr s PHE 79 CO -0.03 -0.84 1.08 -0.51 -1.46 0.00 0.00 175.22 173.46 2otr s LEU 80 N 2.99 1.53 0.00 6.12 2.01 -0.11 -1.87 118.68 129.35 2otr s LEU 80 Ca 0.27 1.28 0.00 0.00 0.01 0.00 0.00 54.13 55.69 2otr s LEU 80 Cb -0.13 -3.44 0.00 0.00 0.01 0.00 0.00 46.19 42.63 2otr s LEU 80 CO 0.19 -3.29 0.00 0.52 1.01 0.00 0.00 176.35 174.78 2otr n VAL 81 N -4.29 0.00 -3.54 -1.59 0.31 -1.26 -4.35 118.33 103.61 2otr n VAL 81 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.15 2otr n VAL 81 Cb 0.56 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.48 2otr n VAL 81 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2otr s ARG 82 N 0.00 3.43 -0.30 5.55 0.52 -1.26 -2.18 118.95 124.72 2otr s ARG 82 Ca 0.00 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.52 2otr s ARG 82 Cb 0.00 -2.73 0.18 0.00 0.52 0.00 0.00 34.95 32.92 2otr s ARG 82 CO 0.00 0.21 1.28 -1.17 0.02 0.00 0.00 175.30 175.64 2otr s LEU 83 N -4.22 -0.02 0.00 2.53 0.20 -0.51 -3.77 118.68 112.88 2otr s LEU 83 Ca 0.39 0.02 0.00 0.00 0.69 0.00 0.00 54.13 55.23 2otr s LEU 83 Cb -0.09 1.02 0.00 0.00 -0.43 0.00 0.00 46.19 46.69 2otr s LEU 83 CO 0.34 -0.00 0.00 0.61 -0.29 0.00 0.00 176.35 177.00 2otr n GLY 84 N 5.08 0.57 3.29 7.98 0.00 -1.25 -4.32 105.19 116.55 2otr n GLY 84 Ca -0.08 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 2otr n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2otr s SER 85 N -4.00 2.89 0.51 1.61 0.15 -1.24 -1.66 113.70 111.96 2otr s SER 85 Ca 0.00 -0.47 0.17 0.00 0.70 0.00 0.00 55.95 56.35 2otr s SER 85 Cb 0.00 -0.31 1.26 0.00 -1.71 0.00 0.00 66.02 65.26 2otr s SER 85 CO 0.00 0.28 2.11 -0.74 1.20 0.00 0.00 173.24 176.10 2otr h HIS 86 N 5.36 0.04 0.04 3.44 2.76 -2.00 -0.92 115.15 123.88 2otr h HIS 86 Ca -0.43 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.52 2otr h HIS 86 Cb 1.13 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 2otr h HIS 86 CO 0.41 0.03 -1.02 0.77 -1.30 0.00 0.00 177.93 176.82 2otr h SER 87 N 0.05 0.24 -0.12 3.26 0.02 -1.98 -3.09 113.55 111.93 2otr h SER 87 Ca 0.06 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2otr h SER 87 Cb 0.19 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2otr h SER 87 CO -0.00 1.11 -0.13 -0.08 -1.14 0.00 0.00 176.83 176.58 2otr h GLU 88 N 0.07 0.29 -0.15 3.45 4.57 -1.63 -3.07 114.58 118.11 2otr h GLU 88 Ca -0.06 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2otr h GLU 88 Cb 1.71 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 2otr h GLU 88 CO 0.15 0.71 0.10 -0.07 -1.18 0.00 0.00 179.01 178.72 2otr h LEU 89 N -0.11 0.17 0.00 1.64 4.07 -1.34 -3.49 115.31 116.25 2otr h LEU 89 Ca 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2otr h LEU 89 Cb 0.66 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2otr h LEU 89 CO 0.03 0.13 0.00 0.33 -1.08 0.00 0.00 178.44 177.85