#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 2.26 0.00 4.03 0.05 -1.26 -4.93 118.68 118.83 2otr s LEU 2 Ca 0.00 -0.66 -0.02 0.00 0.05 0.00 0.00 54.13 53.50 2otr s LEU 2 Cb 0.00 -1.04 0.03 0.00 -2.05 0.00 0.00 46.19 43.13 2otr s LEU 2 CO 0.00 0.13 0.14 0.41 -0.55 0.00 0.00 176.35 176.48 2otr n THR 3 N 1.26 0.00 -4.04 5.48 -1.04 -1.21 -4.67 114.28 110.06 2otr n THR 3 Ca -0.18 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.05 61.58 2otr n THR 3 Cb 0.53 -1.49 -0.15 0.00 -1.82 0.00 0.00 70.33 67.41 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 -1.29 0.28 0.16 12.58 1.09 -1.26 -1.15 121.20 131.62 2otr s ILE 4 Ca 0.09 -0.08 0.03 0.00 -1.10 0.00 0.00 60.65 59.58 2otr s ILE 4 Cb -0.01 -0.29 -0.05 0.00 -1.06 0.00 0.00 42.46 41.06 2otr s ILE 4 CO 0.06 0.12 -0.04 -1.61 -0.10 0.00 0.00 174.94 173.37 2otr s GLU 5 N 0.35 1.09 0.02 2.79 0.41 -1.03 -4.95 118.70 117.38 2otr s GLU 5 Ca -0.03 -1.50 0.01 0.00 -0.41 0.00 0.00 54.97 53.03 2otr s GLU 5 Cb -0.07 -0.40 -0.02 0.00 -1.78 0.00 0.00 34.13 31.86 2otr s GLU 5 CO -0.01 -0.05 -0.05 0.95 -0.49 0.00 0.00 175.26 175.61 2otr s THR 6 N -3.53 0.29 0.45 3.63 -4.23 -1.26 -2.10 115.64 108.89 2otr s THR 6 Ca 0.21 -0.80 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2otr s THR 6 Cb 0.05 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2otr s THR 6 CO 0.02 -0.33 0.45 -0.55 -0.54 0.00 0.00 174.62 173.67 2otr s SER 7 N -1.20 5.10 0.12 3.99 0.15 -1.26 -5.00 113.70 115.61 2otr s SER 7 Ca -0.10 -0.76 -0.15 0.00 0.70 0.00 0.00 55.95 55.64 2otr s SER 7 Cb -0.08 -0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 2otr s SER 7 CO -0.00 -0.79 1.59 0.07 1.20 0.00 0.00 173.24 175.30 2otr h LYS 8 N 0.85 0.68 -0.51 5.44 2.10 -1.99 -2.36 116.57 120.77 2otr h LYS 8 Ca -0.39 -0.20 -0.06 0.00 -2.00 0.00 0.00 60.65 58.00 2otr h LYS 8 Cb 1.28 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2otr h LYS 8 CO 0.54 0.75 0.09 0.87 -2.00 0.00 0.00 179.45 179.69 2otr h LYS 9 N 0.51 0.83 -0.78 0.07 1.57 -1.96 -2.81 116.57 114.00 2otr h LYS 9 Ca 0.12 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2otr h LYS 9 Cb 0.42 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2otr h LYS 9 CO 0.01 0.82 0.51 0.35 -0.57 0.00 0.00 179.45 180.58 2otr h PHE 10 N 0.71 0.94 -0.19 -1.35 3.57 -1.63 -1.02 116.94 117.98 2otr h PHE 10 Ca 0.16 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2otr h PHE 10 Cb 0.38 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2otr h PHE 10 CO 0.03 0.56 0.13 -0.44 -2.23 0.00 0.00 178.31 176.36 2otr h ASP 11 N 0.99 0.05 1.45 0.41 5.19 -1.16 0.01 116.42 123.36 2otr h ASP 11 Ca 0.30 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.62 2otr h ASP 11 Cb -0.01 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 2otr h ASP 11 CO -0.08 0.04 -0.57 0.11 -3.12 0.00 0.00 179.24 175.62 2otr h LYS 12 N 0.06 0.00 0.00 3.56 1.57 -1.18 -2.75 116.57 117.82 2otr h LYS 12 Ca 0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2otr h LYS 12 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2otr h LYS 12 CO -0.01 0.34 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.41 2otr h ASP 13 N 0.00 0.00 0.15 0.86 5.19 -0.61 -3.28 116.42 118.74 2otr h ASP 13 Ca -0.03 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.02 2otr h ASP 13 Cb 1.31 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 2otr h ASP 13 CO 0.05 0.37 -1.97 0.25 -3.12 0.00 0.00 179.24 174.82 2otr h LEU 14 N 0.00 0.40 -1.96 1.55 5.85 -1.38 -3.28 115.31 116.49 2otr h LEU 14 Ca -0.00 -0.90 0.11 0.00 0.84 0.00 0.00 57.88 57.92 2otr h LEU 14 Cb 1.24 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2otr h LEU 14 CO 0.05 1.81 0.28 0.07 -0.34 0.00 0.00 178.44 180.31 2otr h LYS 15 N 0.07 0.05 0.00 1.25 2.10 -1.59 0.27 116.57 118.72 2otr h LYS 15 Ca -0.41 -0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.03 2otr h LYS 15 Cb 2.04 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 33.33 2otr h LYS 15 CO 0.09 0.03 -1.08 0.82 -2.00 0.00 0.00 179.45 177.31 2otr h ILE 16 N 0.05 1.42 0.15 0.07 1.08 -1.71 -3.18 117.51 115.39 2otr h ILE 16 Ca 0.19 -3.11 -0.29 0.00 -0.39 0.00 0.00 64.86 61.26 2otr h ILE 16 Cb 0.69 2.69 0.02 0.00 -3.07 0.00 0.00 36.82 37.15 2otr h ILE 16 CO -0.01 0.81 -1.28 -0.07 -0.69 0.00 0.00 178.15 176.90 2otr h LEU 17 N 0.00 0.60 -1.16 1.44 3.38 -1.08 -3.04 115.31 115.46 2otr h LEU 17 Ca -0.06 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 2otr h LEU 17 Cb 1.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 2otr h LEU 17 CO 0.11 1.47 -0.12 1.62 0.09 0.00 0.00 178.44 181.61 2otr h VAL 18 N 0.13 1.22 -0.01 1.22 3.04 -0.66 0.86 116.25 122.05 2otr h VAL 18 Ca -0.17 -0.96 -0.16 0.00 -1.01 0.00 0.00 66.70 64.40 2otr h VAL 18 Cb 1.99 1.15 -0.02 0.00 -2.01 0.00 0.00 31.29 32.40 2otr h VAL 18 CO 0.23 0.31 -0.73 0.50 -1.01 0.00 0.00 177.57 176.87 2otr h LYS 19 N 0.42 0.10 0.00 4.17 3.11 -1.61 -3.34 116.57 119.42 2otr h LYS 19 Ca 0.08 -0.09 -0.07 0.00 -2.81 0.00 0.00 60.65 57.76 2otr h LYS 19 Cb 0.46 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 2otr h LYS 19 CO 0.03 0.78 -0.61 -0.91 -2.81 0.00 0.00 179.45 175.93 2otr h ASN 20 N 0.07 0.00 -0.13 4.20 2.35 -1.34 -3.48 115.58 117.25 2otr h ASN 20 Ca -0.02 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2otr h ASN 20 Cb 1.28 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.50 2otr h ASN 20 CO 0.10 0.96 -0.10 0.61 -1.65 0.00 0.00 177.43 177.35 2otr n GLY 21 N 1.59 -1.75 3.67 2.83 0.00 0.29 -5.10 105.19 106.72 2otr n GLY 21 Ca -0.14 1.28 -0.09 0.00 0.00 0.00 0.00 46.02 47.07 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 0.85 -0.19 0.31 1.61 5.36 -0.42 -4.79 117.98 120.70 2otr s PHE 22 Ca 0.24 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2otr s PHE 22 Cb 0.15 0.56 -0.05 0.00 -0.34 0.00 0.00 43.02 43.33 2otr s PHE 22 CO -0.10 -1.07 0.08 0.34 -1.46 0.00 0.00 175.22 173.01 2otr s ASP 23 N -2.88 1.93 -0.24 6.13 2.15 -1.26 -4.52 116.67 117.98 2otr s ASP 23 Ca 0.10 -1.42 -0.16 0.00 0.43 0.00 0.00 52.55 51.50 2otr s ASP 23 Cb -0.03 0.09 -0.12 0.00 -0.30 0.00 0.00 42.92 42.55 2otr s ASP 23 CO 0.01 -0.70 -0.20 0.18 -0.17 0.00 0.00 175.17 174.29 2otr n LEU 24 N -0.62 1.92 0.27 -1.34 7.99 -1.26 -4.38 117.00 119.58 2otr n LEU 24 Ca -0.02 0.38 0.10 0.00 -0.01 0.00 0.00 56.01 56.46 2otr n LEU 24 Cb 0.66 -0.85 0.70 0.00 -0.11 0.00 0.00 43.42 43.83 2otr n LEU 24 CO 0.40 0.29 1.08 0.50 -1.51 0.00 0.00 177.39 178.15 2otr h LYS 25 N -1.00 0.00 -0.37 3.23 3.64 -1.99 -1.38 116.57 118.70 2otr h LYS 25 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2otr h LYS 25 Cb 1.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2otr h LYS 25 CO -0.27 0.00 0.25 1.25 -2.27 0.00 0.00 179.45 178.41 2otr h LEU 26 N 0.00 0.28 -0.06 5.20 7.12 -1.99 0.13 115.31 125.98 2otr h LEU 26 Ca 0.00 -0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.77 2otr h LEU 26 Cb 0.01 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2otr h LEU 26 CO -0.00 0.19 -1.06 0.25 -0.13 0.00 0.00 178.44 177.68 2otr h LEU 27 N 0.32 0.49 -0.46 2.25 6.46 -1.45 -1.22 115.31 121.69 2otr h LEU 27 Ca 0.16 -0.44 -0.06 0.00 -0.12 0.00 0.00 57.88 57.42 2otr h LEU 27 Cb 0.23 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2otr h LEU 27 CO -0.03 1.28 -0.28 1.88 -0.62 0.00 0.00 178.44 180.66 2otr h TYR 28 N 0.17 0.00 0.11 1.25 0.05 -1.24 -3.15 116.97 114.15 2otr h TYR 28 Ca -0.10 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.34 2otr h TYR 28 Cb 1.73 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.45 2otr h TYR 28 CO 0.06 0.28 -1.84 0.87 -1.05 0.00 0.00 178.16 176.48 2otr h LYS 29 N 0.00 0.23 0.00 4.88 1.57 -0.80 -3.33 116.57 119.11 2otr h LYS 29 Ca -0.00 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2otr h LYS 29 Cb 1.04 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2otr h LYS 29 CO 0.04 1.08 0.00 -0.24 -0.57 0.00 0.00 179.45 179.75 2otr h VAL 30 N 0.06 0.00 -1.01 0.50 3.04 -1.26 -3.06 116.25 114.52 2otr h VAL 30 Ca -0.36 -0.16 0.24 0.00 -1.01 0.00 0.00 66.70 65.40 2otr h VAL 30 Cb 2.04 0.84 -0.11 0.00 -2.01 0.00 0.00 31.29 32.05 2otr h VAL 30 CO 0.11 0.00 0.61 -0.37 -1.01 0.00 0.00 177.57 176.91 2otr h VAL 31 N 0.00 0.57 -0.03 1.51 -1.51 -1.66 0.45 116.25 115.58 2otr h VAL 31 Ca 0.00 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 2otr h VAL 31 Cb 0.23 -0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.33 2otr h VAL 31 CO 0.00 0.11 0.03 1.23 -1.23 0.00 0.00 177.57 177.71 2otr h GLY 32 N 0.59 0.00 0.96 5.19 0.00 -1.81 -1.87 103.07 106.13 2otr h GLY 32 Ca 0.62 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.65 2otr h GLY 32 CO -0.42 0.00 -1.73 3.43 0.00 0.00 0.00 176.54 177.82 2otr h ASN 33 N 0.00 0.07 -0.28 0.19 2.35 -0.39 -3.32 115.58 114.20 2otr h ASN 33 Ca 0.01 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2otr h ASN 33 Cb 0.07 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2otr h ASN 33 CO -0.00 1.13 0.14 -0.07 -1.65 0.00 0.00 177.43 176.98 2otr h LEU 34 N 0.01 0.37 -1.48 1.61 3.38 -0.47 0.70 115.31 119.42 2otr h LEU 34 Ca -0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2otr h LEU 34 Cb 2.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 2otr h LEU 34 CO 0.08 0.38 0.11 0.00 0.09 0.00 0.00 178.44 179.10 2otr h ALA 35 N 1.00 1.59 0.18 1.53 0.00 -1.57 -2.89 119.26 119.10 2otr h ALA 35 Ca 0.10 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 2otr h ALA 35 Cb 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2otr h ALA 35 CO -0.01 0.32 -1.27 1.79 0.00 0.00 0.00 179.25 180.07 2otr h THR 36 N 0.45 1.28 -5.40 0.00 1.35 -1.56 -3.49 112.91 105.54 2otr h THR 36 Ca 0.11 -2.57 -0.33 0.00 -0.55 0.00 0.00 66.41 63.07 2otr h THR 36 Cb 0.13 3.01 0.14 0.00 -1.73 0.00 0.00 68.15 69.70 2otr h THR 36 CO -0.01 0.77 -0.67 -0.62 -0.25 0.00 0.00 175.52 174.74 2otr n GLU 37 N -3.88 -6.68 -0.07 4.72 1.02 0.24 -4.96 120.64 111.03 2otr n GLU 37 Ca -0.18 0.77 -0.11 0.00 -0.02 0.00 0.00 57.16 57.62 2otr n GLU 37 Cb 0.97 -5.61 -0.10 0.00 -0.02 0.00 0.00 31.44 26.68 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 -2.09 0.00 0.00 3.49 4.20 -1.90 -3.44 115.11 115.37 2otr h GLN 38 Ca -0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2otr h GLN 38 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2otr h GLN 38 CO 0.48 0.77 0.00 -0.35 -0.67 0.00 0.00 178.83 179.07 2otr n PRO 39 N -4.63 0.00 -1.83 1.46 -0.04 -1.26 -4.89 135.00 123.80 2otr n PRO 39 Ca -0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 2otr n PRO 39 Cb 0.39 -0.38 -0.07 0.00 -0.04 0.00 0.00 33.50 33.41 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 -0.22 -1.64 -2.02 1.53 4.77 -1.26 -4.36 117.00 113.80 2otr n LEU 40 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2otr n LEU 40 Cb 0.00 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.20 2otr n LEU 40 CO 0.00 -0.84 -0.46 0.00 -1.33 0.00 0.00 177.39 174.76 2otr n ALA 41 N 0.40 -2.09 -0.97 -1.18 0.00 -1.03 -3.45 120.51 112.18 2otr n ALA 41 Ca -0.22 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 2otr n ALA 41 Cb 0.69 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2otr n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2otr n PRO 42 N 1.82 2.73 0.00 0.00 -0.04 -1.26 -3.28 135.00 134.97 2otr n PRO 42 Ca 0.00 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 2otr n PRO 42 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 2otr n PRO 42 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2otr n LYS 43 N 3.86 0.00 -0.13 0.54 0.00 -1.26 -4.99 118.16 116.18 2otr n LYS 43 Ca 0.58 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.61 2otr n LYS 43 Cb 0.20 -0.08 -0.10 0.00 -0.00 0.00 0.00 35.03 35.04 2otr n LYS 43 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2otr n TYR 44 N -2.02 0.22 -1.68 5.58 4.01 -1.21 -5.11 117.16 116.95 2otr n TYR 44 Ca 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2otr n TYR 44 Cb 0.00 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.01 2otr n TYR 44 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2otr n LYS 45 N -4.29 -4.59 -1.71 -0.72 3.00 -1.20 -4.82 118.16 103.83 2otr n LYS 45 Ca -0.50 3.31 -0.43 0.00 -0.00 0.00 0.00 58.31 60.69 2otr n LYS 45 Cb 0.85 -3.59 -0.03 0.00 0.00 0.00 0.00 35.03 32.26 2otr n LYS 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2otr n ASP 46 N 0.78 3.56 -3.98 3.14 -0.08 -1.26 -4.96 116.55 113.74 2otr n ASP 46 Ca 0.00 1.10 -0.10 0.00 -1.51 0.00 0.00 54.79 54.28 2otr n ASP 46 Cb 0.00 -1.52 -0.12 0.00 2.34 0.00 0.00 41.12 41.82 2otr n ASP 46 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 2otr s HIS 47 N 0.59 0.31 0.75 -0.67 -3.43 -1.26 -5.07 115.29 106.51 2otr s HIS 47 Ca 0.72 -0.45 -0.11 0.00 -0.80 0.00 0.00 55.06 54.42 2otr s HIS 47 Cb -0.56 -0.21 0.04 0.00 -1.43 0.00 0.00 32.58 30.42 2otr s HIS 47 CO 0.41 -0.15 1.08 -1.25 -2.00 0.00 0.00 174.74 172.83 2otr s PRO 48 N -1.28 2.47 0.35 -0.38 0.04 -1.26 -4.26 135.00 130.67 2otr s PRO 48 Ca -0.13 0.98 0.06 0.00 0.04 0.00 0.00 61.00 61.95 2otr s PRO 48 Cb -0.09 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.57 2otr s PRO 48 CO -0.01 -1.44 0.46 1.28 0.04 0.00 0.00 177.00 177.33 2otr n LEU 49 N -3.36 0.00 -3.15 -3.56 4.77 -1.25 -5.05 117.00 105.39 2otr n LEU 49 Ca 0.08 -1.52 0.05 0.00 -0.03 0.00 0.00 56.01 54.58 2otr n LEU 49 Cb 0.54 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2otr n LEU 49 CO 0.55 -0.61 0.34 -0.54 -1.33 0.00 0.00 177.39 175.80 2otr s LYS 50 N -3.56 0.38 0.00 3.23 1.02 -1.26 -4.90 119.74 114.65 2otr s LYS 50 Ca 0.35 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.92 2otr s LYS 50 Cb -0.03 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 2otr s LYS 50 CO 0.22 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 2otr n GLY 51 N 5.40 0.00 0.29 -3.33 0.00 -1.26 -4.92 105.19 101.36 2otr n GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.31 3.16 -0.02 0.00 -1.26 -4.98 105.19 105.39 2otr n GLY 52 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 5.71 -0.33 0.99 1.43 -1.26 -4.89 118.68 120.34 2otr s LEU 53 Ca 0.00 -3.06 0.05 0.00 -1.03 0.00 0.00 54.13 50.10 2otr s LEU 53 Cb 0.00 -1.97 0.58 0.00 0.03 0.00 0.00 46.19 44.84 2otr s LEU 53 CO 0.00 -0.37 1.71 0.29 0.23 0.00 0.00 176.35 178.21 2otr n LYS 54 N 3.29 2.55 -1.11 1.70 5.02 -1.26 -4.01 118.16 124.34 2otr n LYS 54 Ca 0.13 -2.52 -0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2otr n LYS 54 Cb 0.40 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.54 0.16 -4.30 4.39 9.92 -1.26 -5.08 116.55 119.84 2otr n ASP 55 Ca 0.43 -1.90 -0.21 0.00 -0.53 0.00 0.00 54.79 52.58 2otr n ASP 55 Cb 1.37 -0.08 -0.11 0.00 -0.64 0.00 0.00 41.12 41.66 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 0.00 1.71 -0.28 1.24 0.40 -1.26 -4.00 117.98 115.79 2otr s PHE 56 Ca 0.16 -0.48 -0.25 0.00 -0.60 0.00 0.00 56.93 55.76 2otr s PHE 56 Cb 0.18 -0.88 0.10 0.00 0.51 0.00 0.00 43.02 42.92 2otr s PHE 56 CO -0.08 0.26 0.87 1.03 0.70 0.00 0.00 175.22 178.00 2otr s ARG 57 N -2.55 0.67 -0.03 0.44 0.52 -1.04 -3.95 118.95 113.01 2otr s ARG 57 Ca 0.12 0.81 0.05 0.00 -0.52 0.00 0.00 55.73 56.19 2otr s ARG 57 Cb -0.07 0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 2otr s ARG 57 CO 0.05 -0.08 -0.19 -2.00 0.02 0.00 0.00 175.30 173.10 2otr s GLU 58 N 0.36 1.78 0.23 3.54 -6.30 -1.26 -1.49 118.70 115.55 2otr s GLU 58 Ca 0.01 -0.69 -0.00 0.00 -2.50 0.00 0.00 54.97 51.79 2otr s GLU 58 Cb -0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 34.13 32.43 2otr s GLU 58 CO -0.03 0.34 0.18 0.00 0.02 0.00 0.00 175.26 175.77 2otr s HIS 60 N -4.02 3.64 0.51 0.00 3.76 -1.26 -0.63 115.29 117.29 2otr s HIS 60 Ca 0.38 -3.15 0.16 0.00 -0.15 0.00 0.00 55.06 52.30 2otr s HIS 60 Cb 0.06 -2.97 1.23 0.00 1.11 0.00 0.00 32.58 32.01 2otr s HIS 60 CO 0.14 -0.67 2.13 1.37 -0.85 0.00 0.00 174.74 176.87 2otr h LEU 61 N 5.90 0.05 -8.16 0.89 -0.00 -1.83 -2.74 115.31 109.41 2otr h LEU 61 Ca 0.11 -0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.72 2otr h LEU 61 Cb 0.81 -0.01 -0.21 0.00 -0.00 0.00 0.00 40.66 41.25 2otr h LEU 61 CO 0.77 0.03 -0.73 -0.75 -0.00 0.00 0.00 178.44 177.76 2otr s LYS 62 N -5.11 0.52 0.10 0.17 2.20 -1.25 -4.62 119.74 111.75 2otr s LYS 62 Ca -0.05 -0.75 -0.35 0.00 -0.36 0.00 0.00 55.97 54.45 2otr s LYS 62 Cb 0.17 -0.28 -0.15 0.00 -1.51 0.00 0.00 37.83 36.06 2otr s LYS 62 CO 0.68 0.05 1.51 -2.30 -0.36 0.00 0.00 175.35 174.92 2otr n PRO 63 N 1.47 1.73 -2.35 4.03 -0.02 -1.26 -0.87 135.00 137.73 2otr n PRO 63 Ca -0.23 0.62 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 2otr n PRO 63 Cb 0.55 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.30 -5.36 -3.67 2.55 8.00 -1.26 -4.98 116.55 115.13 2otr n ASP 64 Ca 0.18 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.45 2otr n ASP 64 Cb 0.24 -4.42 -0.18 0.00 -0.02 0.00 0.00 41.12 36.75 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2otr s LEU 65 N -5.31 0.20 0.67 0.64 1.02 -0.04 -3.46 118.68 112.40 2otr s LEU 65 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 2otr s LEU 65 Cb 0.00 -0.18 0.08 0.00 0.02 0.00 0.00 46.19 46.12 2otr s LEU 65 CO 0.00 -0.26 0.95 -0.76 0.02 0.00 0.00 176.35 176.29 2otr s LEU 66 N 2.15 3.02 -0.30 1.79 1.02 0.19 -3.78 118.68 122.78 2otr s LEU 66 Ca 0.04 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.22 2otr s LEU 66 Cb -0.13 -2.60 0.19 0.00 0.02 0.00 0.00 46.19 43.68 2otr s LEU 66 CO -0.04 -1.60 0.73 -0.22 0.02 0.00 0.00 176.35 175.23 2otr s LEU 67 N -5.09 -1.27 -0.23 1.79 2.96 0.19 -3.31 118.68 113.73 2otr s LEU 67 Ca 0.62 0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 54.49 2otr s LEU 67 Cb -0.08 1.79 -0.04 0.00 0.50 0.00 0.00 46.19 48.35 2otr s LEU 67 CO 0.43 -0.23 0.30 -0.69 -1.32 0.00 0.00 176.35 174.85 2otr s VAL 68 N 2.80 5.26 0.05 1.68 1.01 -0.71 -1.66 120.40 128.82 2otr s VAL 68 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2otr s VAL 68 Cb -0.07 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2otr s VAL 68 CO -0.24 0.27 -0.05 -0.72 0.00 0.00 0.00 175.10 174.36 2otr s TYR 69 N 1.36 0.56 -0.15 5.22 -0.85 -0.56 0.16 117.35 123.09 2otr s TYR 69 Ca 0.14 -0.81 -0.01 0.00 -0.52 0.00 0.00 57.07 55.87 2otr s TYR 69 Cb -0.15 -0.37 0.04 0.00 0.38 0.00 0.00 41.96 41.86 2otr s TYR 69 CO 0.07 -0.24 -0.04 -1.14 -1.52 0.00 0.00 175.55 172.68 2otr s GLN 70 N -2.93 1.26 -0.09 -3.49 0.74 0.97 -2.50 119.66 113.61 2otr s GLN 70 Ca -0.00 -0.38 -0.25 0.00 0.05 0.00 0.00 55.36 54.78 2otr s GLN 70 Cb 0.00 -1.81 -0.03 0.00 1.10 0.00 0.00 33.01 32.27 2otr s GLN 70 CO -0.05 -0.41 0.79 0.42 -0.55 0.00 0.00 175.29 175.48 2otr s ILE 71 N 1.71 4.97 -0.49 -2.34 1.09 -1.26 -2.76 121.20 122.13 2otr s ILE 71 Ca 0.02 1.60 -0.13 0.00 -1.10 0.00 0.00 60.65 61.04 2otr s ILE 71 Cb -0.15 -4.12 0.11 0.00 -1.06 0.00 0.00 42.46 37.25 2otr s ILE 71 CO -0.07 0.17 0.40 -1.59 -0.10 0.00 0.00 174.94 173.74 2otr s LYS 72 N 1.25 2.78 0.62 2.79 0.00 -0.81 -4.92 119.74 121.45 2otr s LYS 72 Ca 0.40 -1.63 0.34 0.00 0.00 0.00 0.00 55.97 55.09 2otr s LYS 72 Cb -0.18 -4.08 1.97 0.00 0.00 0.00 0.00 37.83 35.53 2otr s LYS 72 CO 0.18 -1.18 2.23 0.87 0.00 0.00 0.00 175.35 177.45 2otr h LYS 73 N 8.67 0.00 -0.78 1.78 1.57 -1.95 0.55 116.57 126.41 2otr h LYS 73 Ca -0.26 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.71 2otr h LYS 73 Cb 1.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2otr h LYS 73 CO 0.92 0.00 0.54 -0.56 -0.57 0.00 0.00 179.45 179.78 2otr h GLN 74 N 0.00 0.21 0.00 3.15 3.07 -1.98 -3.12 115.11 116.44 2otr h GLN 74 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2otr h GLN 74 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2otr h GLN 74 CO -0.00 0.14 -0.24 -0.85 0.09 0.00 0.00 178.83 177.97 2otr n GLU 75 N -4.41 0.00 -3.54 0.06 0.28 -0.71 -5.06 120.64 107.26 2otr n GLU 75 Ca 0.16 -0.61 -0.20 0.00 -0.16 0.00 0.00 57.16 56.35 2otr n GLU 75 Cb 0.70 -0.37 0.01 0.00 1.43 0.00 0.00 31.44 33.21 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 -5.78 -4.11 -1.84 3.02 0.19 -4.86 115.26 101.89 2otr n ASN 76 Ca 0.00 -0.58 -0.19 0.00 -0.03 0.00 0.00 54.58 53.78 2otr n ASN 76 Cb 0.60 -2.71 -0.13 0.00 -0.61 0.00 0.00 39.78 36.92 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2otr s THR 77 N -2.78 0.95 -0.82 3.41 2.01 -1.11 -3.32 115.64 113.98 2otr s THR 77 Ca 0.06 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 2otr s THR 77 Cb -0.01 -0.86 0.22 0.00 0.01 0.00 0.00 72.50 71.85 2otr s THR 77 CO 0.85 0.01 0.75 -0.22 -0.69 0.00 0.00 174.62 175.33 2otr s LEU 78 N -0.95 6.60 -0.24 4.42 2.96 -0.30 -1.93 118.68 129.24 2otr s LEU 78 Ca 0.01 -2.75 -0.20 0.00 -0.22 0.00 0.00 54.13 50.97 2otr s LEU 78 Cb -0.07 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 2otr s LEU 78 CO 0.01 -0.54 0.61 0.12 -1.32 0.00 0.00 176.35 175.23 2otr s PHE 79 N 0.07 3.30 1.24 5.38 5.36 -1.11 -2.45 117.98 129.78 2otr s PHE 79 Ca 0.18 0.81 -0.21 0.00 -0.96 0.00 0.00 56.93 56.76 2otr s PHE 79 Cb -0.11 -2.81 0.31 0.00 -0.34 0.00 0.00 43.02 40.07 2otr s PHE 79 CO -0.08 -0.28 1.12 -0.51 -1.46 0.00 0.00 175.22 174.00 2otr s LEU 80 N 2.34 0.54 0.16 6.12 1.43 -0.89 -0.02 118.68 128.36 2otr s LEU 80 Ca 0.26 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2otr s LEU 80 Cb -0.16 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2otr s LEU 80 CO 0.09 -4.33 0.00 0.52 0.23 0.00 0.00 176.35 172.86 2otr n VAL 81 N -4.88 0.00 -4.37 -1.59 0.31 0.42 -4.60 118.33 103.62 2otr n VAL 81 Ca 0.15 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.29 2otr n VAL 81 Cb 0.60 -0.10 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 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 -1.40 1.41 -0.13 5.55 0.52 -1.03 -3.77 118.95 120.11 2otr s ARG 82 Ca 0.00 -1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 53.22 2otr s ARG 82 Cb 0.00 -1.02 0.12 0.00 0.52 0.00 0.00 34.95 34.57 2otr s ARG 82 CO 0.00 0.07 0.99 -1.17 0.02 0.00 0.00 175.30 175.20 2otr s LEU 83 N -3.36 -0.35 0.00 2.53 0.20 -1.26 -1.75 118.68 114.68 2otr s LEU 83 Ca 0.26 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.38 2otr s LEU 83 Cb 0.03 1.87 0.00 0.00 -0.43 0.00 0.00 46.19 47.65 2otr s LEU 83 CO 0.09 -0.39 0.00 0.61 -0.29 0.00 0.00 176.35 176.37 2otr n GLY 84 N 0.49 0.34 3.99 7.98 0.00 -1.21 -4.81 105.19 111.97 2otr n GLY 84 Ca -0.09 -2.27 -0.20 0.00 0.00 0.00 0.00 46.02 43.46 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 5.28 0.11 1.61 0.15 -1.22 0.57 113.70 116.19 2otr s SER 85 Ca 0.00 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.49 2otr s SER 85 Cb 0.00 -0.65 -0.22 0.00 -1.71 0.00 0.00 66.02 63.44 2otr s SER 85 CO 0.00 -1.12 1.23 -0.74 1.20 0.00 0.00 173.24 173.81 2otr h HIS 86 N 0.18 0.06 0.14 3.44 2.76 -1.99 -2.94 115.15 116.81 2otr h HIS 86 Ca -0.40 -0.05 -0.29 0.00 -2.20 0.00 0.00 60.37 57.43 2otr h HIS 86 Cb 1.29 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2otr h HIS 86 CO 0.33 1.04 -1.45 0.66 -1.30 0.00 0.00 177.93 177.20 2otr h SER 87 N 0.01 0.47 -0.79 3.26 4.64 -1.95 -2.93 113.55 116.26 2otr h SER 87 Ca -0.04 -0.89 -0.02 0.00 -0.47 0.00 0.00 61.79 60.37 2otr h SER 87 Cb 1.81 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.71 2otr h SER 87 CO 0.14 1.65 0.43 -0.08 -0.87 0.00 0.00 176.83 178.09 2otr h GLU 88 N -0.18 1.11 -0.17 4.77 4.22 -1.98 -2.74 114.58 119.60 2otr h GLU 88 Ca -0.30 -0.13 -0.19 0.00 0.08 0.00 0.00 59.36 58.82 2otr h GLU 88 Cb 1.86 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.90 2otr h GLU 88 CO 0.11 0.82 -0.65 -0.07 -2.18 0.00 0.00 179.01 177.04 2otr h LEU 89 N 1.11 0.87 -0.89 1.64 -0.00 -1.65 -3.49 115.31 112.90 2otr h LEU 89 Ca 0.28 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2otr h LEU 89 Cb 0.04 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2otr h LEU 89 CO -0.04 1.33 0.00 0.49 -0.00 0.00 0.00 178.44 180.22