#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 1.62 0.00 4.03 1.43 -1.26 -4.78 118.68 119.72 2otr s LEU 2 Ca 0.00 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 2otr s LEU 2 Cb 0.00 -0.56 0.21 0.00 0.03 0.00 0.00 46.19 45.87 2otr s LEU 2 CO 0.00 0.02 0.48 0.41 0.23 0.00 0.00 176.35 177.49 2otr n THR 3 N 3.62 0.00 -3.84 5.49 -1.04 -1.09 -4.38 114.28 113.04 2otr n THR 3 Ca -0.21 -0.01 -0.26 0.00 -2.04 0.00 0.00 64.05 61.53 2otr n THR 3 Cb 0.53 -0.56 -0.17 0.00 -1.82 0.00 0.00 70.33 68.31 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 -1.62 0.76 0.39 12.58 1.09 -1.26 0.13 121.20 133.28 2otr s ILE 4 Ca 0.37 -0.23 0.08 0.00 -1.10 0.00 0.00 60.65 59.77 2otr s ILE 4 Cb -0.07 -0.91 -0.04 0.00 -1.06 0.00 0.00 42.46 40.38 2otr s ILE 4 CO 0.31 0.23 0.21 -1.61 -0.10 0.00 0.00 174.94 173.98 2otr s GLU 5 N 1.80 2.33 -0.00 2.79 0.41 -0.52 -4.96 118.70 120.55 2otr s GLU 5 Ca 0.04 -1.70 -0.05 0.00 -0.41 0.00 0.00 54.97 52.85 2otr s GLU 5 Cb -0.13 -2.12 -0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2otr s GLU 5 CO -0.07 -0.07 0.10 0.95 -0.49 0.00 0.00 175.26 175.68 2otr s THR 6 N -2.53 0.08 0.06 3.63 -4.23 -1.26 -2.59 115.64 108.80 2otr s THR 6 Ca 0.42 -0.63 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 2otr s THR 6 Cb 0.01 -0.35 0.01 0.00 1.34 0.00 0.00 72.50 73.50 2otr s THR 6 CO 0.24 -0.35 0.05 -1.54 -0.54 0.00 0.00 174.62 172.48 2otr n SER 7 N 1.72 1.18 0.09 3.99 3.41 -1.26 -4.99 113.62 117.77 2otr n SER 7 Ca -0.21 -1.22 -0.14 0.00 -0.26 0.00 0.00 58.87 57.04 2otr n SER 7 Cb 0.56 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 2otr n SER 7 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2otr h LYS 8 N 0.00 0.22 0.00 4.33 1.79 -1.96 -3.14 116.57 117.81 2otr h LYS 8 Ca -0.04 -0.37 -0.14 0.00 -2.18 0.00 0.00 60.65 57.93 2otr h LYS 8 Cb 0.14 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2otr h LYS 8 CO 0.06 1.17 -0.68 0.87 -1.08 0.00 0.00 179.45 179.78 2otr h LYS 9 N 0.06 0.00 -0.02 3.15 1.57 -1.97 -3.11 116.57 116.26 2otr h LYS 9 Ca -0.11 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 2otr h LYS 9 Cb 1.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.20 2otr h LYS 9 CO 0.19 0.63 -0.60 0.35 -0.57 0.00 0.00 179.45 179.44 2otr h PHE 10 N 0.00 0.07 0.07 -1.35 3.57 -1.57 -2.37 116.94 115.36 2otr h PHE 10 Ca -0.02 -0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.18 2otr h PHE 10 Cb 1.50 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 40.26 2otr h PHE 10 CO 0.00 0.64 -1.16 0.22 -2.23 0.00 0.00 178.31 175.78 2otr h ASP 11 N 0.04 0.85 1.03 0.41 3.58 -1.58 -2.90 116.42 117.85 2otr h ASP 11 Ca -0.01 -0.74 0.00 0.00 0.42 0.00 0.00 57.03 56.70 2otr h ASP 11 Cb 1.07 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2otr h ASP 11 CO 0.08 1.55 0.00 2.29 -2.88 0.00 0.00 179.24 180.28 2otr n LYS 12 N -3.80 0.16 -0.01 0.28 2.85 -1.18 -2.32 118.16 114.14 2otr n LYS 12 Ca -0.12 0.24 -0.12 0.00 -1.05 0.00 0.00 58.31 57.26 2otr n LYS 12 Cb 0.94 -1.72 -0.14 0.00 -0.65 0.00 0.00 35.03 33.46 2otr n LYS 12 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2otr n ASP 13 N -2.00 1.17 0.13 -5.58 -0.08 -0.90 -4.05 116.55 105.24 2otr n ASP 13 Ca 0.05 0.37 -0.24 0.00 -1.51 0.00 0.00 54.79 53.46 2otr n ASP 13 Cb 0.32 -0.26 -0.15 0.00 2.34 0.00 0.00 41.12 43.37 2otr n ASP 13 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2otr h LEU 14 N 0.02 0.85 -2.41 -2.67 5.85 -1.46 -3.20 115.31 112.29 2otr h LEU 14 Ca -0.32 -0.90 0.02 0.00 0.84 0.00 0.00 57.88 57.53 2otr h LEU 14 Cb 2.02 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 2otr h LEU 14 CO 0.08 1.68 0.15 0.07 -0.34 0.00 0.00 178.44 180.09 2otr h LYS 15 N 0.16 0.00 0.00 1.25 2.10 -1.64 0.46 116.57 118.90 2otr h LYS 15 Ca -0.24 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.16 2otr h LYS 15 Cb 2.10 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.39 2otr h LYS 15 CO 0.27 0.00 -1.41 0.82 -2.00 0.00 0.00 179.45 177.13 2otr h ILE 16 N 0.00 1.18 0.07 0.07 1.08 -1.70 -3.31 117.51 114.91 2otr h ILE 16 Ca 0.04 -2.97 -0.30 0.00 -0.39 0.00 0.00 64.86 61.25 2otr h ILE 16 Cb 0.34 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.65 2otr h ILE 16 CO -0.00 0.67 -1.56 -0.07 -0.69 0.00 0.00 178.15 176.50 2otr h LEU 17 N 0.00 0.24 -1.48 1.44 3.38 -1.02 -3.27 115.31 114.60 2otr h LEU 17 Ca -0.17 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2otr h LEU 17 Cb 1.90 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2otr h LEU 17 CO 0.10 1.32 0.30 1.62 0.09 0.00 0.00 178.44 181.87 2otr h VAL 18 N 0.04 1.14 -0.10 1.22 3.04 -0.30 0.73 116.25 122.02 2otr h VAL 18 Ca -0.24 -0.29 -0.08 0.00 -1.01 0.00 0.00 66.70 65.08 2otr h VAL 18 Cb 1.99 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2otr h VAL 18 CO 0.13 0.14 -0.25 0.50 -1.01 0.00 0.00 177.57 177.08 2otr h LYS 19 N 0.66 0.34 -0.02 4.17 3.11 -1.68 -3.24 116.57 119.92 2otr h LYS 19 Ca 0.17 -0.23 -0.15 0.00 -2.81 0.00 0.00 60.65 57.64 2otr h LYS 19 Cb -0.04 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 2otr h LYS 19 CO -0.03 0.84 -0.67 -0.91 -2.81 0.00 0.00 179.45 175.87 2otr h ASN 20 N -0.12 0.09 0.00 4.20 2.35 -1.52 -3.46 115.58 117.11 2otr h ASN 20 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2otr h ASN 20 Cb 0.85 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2otr h ASN 20 CO 0.05 0.73 0.00 0.61 -1.65 0.00 0.00 177.43 177.17 2otr n GLY 21 N 0.39 -0.00 3.14 2.83 0.00 0.24 -5.10 105.19 106.69 2otr n GLY 21 Ca -0.02 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.43 1.00 1.61 2.19 -0.56 -4.76 117.98 116.03 2otr s PHE 22 Ca 0.00 0.78 -0.12 0.00 0.33 0.00 0.00 56.93 57.92 2otr s PHE 22 Cb 0.00 0.25 0.19 0.00 -1.31 0.00 0.00 43.02 42.14 2otr s PHE 22 CO 0.00 -0.84 1.08 -0.51 1.83 0.00 0.00 175.22 176.78 2otr s ASP 23 N 2.78 2.49 -0.17 6.13 1.11 -1.26 -3.89 116.67 123.86 2otr s ASP 23 Ca 0.16 1.56 0.17 0.00 0.18 0.00 0.00 52.55 54.61 2otr s ASP 23 Cb -0.07 -2.23 -0.25 0.00 1.07 0.00 0.00 42.92 41.45 2otr s ASP 23 CO -0.24 -3.27 0.19 0.18 1.18 0.00 0.00 175.17 173.22 2otr n LEU 24 N -4.30 0.17 0.09 1.23 4.32 -1.26 -4.28 117.00 112.97 2otr n LEU 24 Ca 0.06 0.08 0.01 0.00 -0.02 0.00 0.00 56.01 56.15 2otr n LEU 24 Cb 0.55 0.43 0.35 0.00 -1.62 0.00 0.00 43.42 43.13 2otr n LEU 24 CO 0.55 0.48 0.87 0.50 -1.22 0.00 0.00 177.39 178.57 2otr h LYS 25 N 0.00 0.30 -0.20 3.23 3.64 -2.01 -2.33 116.57 119.20 2otr h LYS 25 Ca -0.50 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.82 2otr h LYS 25 Cb 2.20 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.97 2otr h LYS 25 CO 0.04 0.44 0.14 1.37 -2.27 0.00 0.00 179.45 179.17 2otr h LEU 26 N 0.29 0.19 -1.40 5.20 8.10 -1.98 -0.47 115.31 125.23 2otr h LEU 26 Ca 0.06 -0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.99 2otr h LEU 26 Cb 0.41 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 2otr h LEU 26 CO 0.02 0.14 -0.27 0.25 -4.11 0.00 0.00 178.44 174.48 2otr h LEU 27 N 0.23 0.00 -0.03 0.17 6.46 -1.64 -0.11 115.31 120.40 2otr h LEU 27 Ca 0.08 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.70 2otr h LEU 27 Cb 0.04 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2otr h LEU 27 CO -0.02 0.27 -0.67 1.88 -0.62 0.00 0.00 178.44 179.28 2otr h TYR 28 N 0.00 0.00 0.00 1.25 0.05 -1.16 -3.03 116.97 114.08 2otr h TYR 28 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.51 2otr h TYR 28 Cb 0.60 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.30 2otr h TYR 28 CO 0.00 0.67 -1.58 -0.22 -1.05 0.00 0.00 178.16 175.98 2otr h LYS 29 N 0.00 0.00 0.00 4.88 3.64 -1.19 -3.34 116.57 120.56 2otr h LYS 29 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2otr h LYS 29 Cb 1.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 2otr h LYS 29 CO 0.09 0.54 -0.40 -0.24 -2.27 0.00 0.00 179.45 177.17 2otr h VAL 30 N 0.00 0.84 -1.03 2.00 3.04 -1.10 -3.18 116.25 116.83 2otr h VAL 30 Ca -0.24 -1.68 0.30 0.00 -1.01 0.00 0.00 66.70 64.08 2otr h VAL 30 Cb 1.94 2.05 -0.04 0.00 -2.01 0.00 0.00 31.29 33.23 2otr h VAL 30 CO 0.08 0.39 0.77 1.62 -1.01 0.00 0.00 177.57 179.43 2otr h VAL 31 N 0.00 0.42 0.00 1.51 3.04 -1.65 0.58 116.25 120.15 2otr h VAL 31 Ca -0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.61 2otr h VAL 31 Cb 1.02 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2otr h VAL 31 CO 0.05 0.00 -0.34 1.23 -1.01 0.00 0.00 177.57 177.50 2otr h GLY 32 N 0.00 0.00 0.90 3.17 0.00 -1.79 -1.52 103.07 103.82 2otr h GLY 32 Ca 0.49 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.51 2otr h GLY 32 CO -0.01 0.00 -1.77 3.43 0.00 0.00 0.00 176.54 178.19 2otr h ASN 33 N 0.00 0.12 -0.42 0.19 2.35 -0.12 -3.27 115.58 114.43 2otr h ASN 33 Ca -0.00 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 2otr h ASN 33 Cb 0.64 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2otr h ASN 33 CO 0.04 1.24 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.82 2otr h LEU 34 N 0.02 0.87 -0.69 1.61 3.38 -1.14 0.18 115.31 119.54 2otr h LEU 34 Ca -0.32 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.18 2otr h LEU 34 Cb 2.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 2otr h LEU 34 CO 0.08 1.07 0.12 0.00 0.09 0.00 0.00 178.44 179.80 2otr h ALA 35 N 0.83 0.91 -0.01 1.53 0.00 -1.44 -3.00 119.26 118.08 2otr h ALA 35 Ca 0.10 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 2otr h ALA 35 Cb 0.72 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2otr h ALA 35 CO 0.05 0.67 -0.94 1.79 0.00 0.00 0.00 179.25 180.82 2otr h THR 36 N 1.06 1.37 -5.61 0.00 1.35 -1.59 -3.48 112.91 106.00 2otr h THR 36 Ca 0.21 -2.37 -0.31 0.00 -0.55 0.00 0.00 66.41 63.38 2otr h THR 36 Cb 0.43 2.38 0.17 0.00 -1.73 0.00 0.00 68.15 69.40 2otr h THR 36 CO 0.01 0.72 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.58 2otr n GLU 37 N -3.78 -5.47 -0.11 4.72 1.02 0.61 -4.97 120.64 112.66 2otr n GLU 37 Ca -0.07 0.85 -0.22 0.00 -0.02 0.00 0.00 57.16 57.70 2otr n GLU 37 Cb 0.83 -5.84 -0.08 0.00 -0.02 0.00 0.00 31.44 26.33 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 -3.91 0.56 0.00 3.49 6.02 -1.25 -4.87 117.38 117.42 2otr n GLN 38 Ca -0.23 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2otr n GLN 38 Cb 0.66 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.35 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 -4.37 0.00 -4.12 -1.09 -0.04 -1.26 -4.93 135.00 119.19 2otr n PRO 39 Ca -0.37 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.75 2otr n PRO 39 Cb 0.71 -0.34 -0.01 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.44 -1.98 -1.55 1.53 7.99 -1.26 -4.36 117.00 116.95 2otr n LEU 40 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 56.01 55.05 2otr n LEU 40 Cb 0.00 -2.23 0.00 0.00 -0.11 0.00 0.00 43.42 41.08 2otr n LEU 40 CO 0.00 0.35 -0.41 0.00 -1.51 0.00 0.00 177.39 175.82 2otr n ALA 41 N -4.47 -2.11 0.18 -1.18 0.00 -1.08 -0.88 120.51 110.98 2otr n ALA 41 Ca 0.04 0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.95 2otr n ALA 41 Cb 0.51 -1.32 0.28 0.00 0.00 0.00 0.00 19.45 18.92 2otr n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2otr h PRO 42 N 2.29 0.00 0.00 0.00 0.13 -1.94 0.40 132.00 132.88 2otr h PRO 42 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2otr h PRO 42 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2otr h PRO 42 CO 0.00 0.37 -0.86 1.57 -0.23 0.00 0.00 178.00 178.86 2otr h LYS 43 N 0.00 0.00 0.00 0.86 -0.00 -1.94 -3.40 116.57 112.09 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 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 2otr h LYS 43 CO 0.05 0.82 -0.71 0.66 -0.00 0.00 0.00 179.45 180.27 2otr n TYR 44 N -3.30 0.00 -1.41 0.07 4.01 -1.19 -5.13 117.16 110.22 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 0.87 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -4.03 -4.03 -1.60 -0.72 5.02 0.14 -4.88 118.16 108.06 2otr n LYS 45 Ca -0.10 3.01 -0.36 0.00 -2.02 0.00 0.00 58.31 58.83 2otr n LYS 45 Cb 0.37 -3.40 0.08 0.00 -0.02 0.00 0.00 35.03 32.07 2otr n LYS 45 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2otr n ASP 46 N -0.96 1.81 -3.57 4.39 5.75 -1.26 -4.87 116.55 117.83 2otr n ASP 46 Ca 0.00 0.78 -0.15 0.00 -0.01 0.00 0.00 54.79 55.41 2otr n ASP 46 Cb 0.02 -1.54 -0.06 0.00 -1.03 0.00 0.00 41.12 38.50 2otr n ASP 46 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2otr s HIS 47 N -1.53 -0.61 0.66 2.11 -3.43 -1.19 -5.06 115.29 106.24 2otr s HIS 47 Ca 0.81 1.21 -0.13 0.00 -0.80 0.00 0.00 55.06 56.14 2otr s HIS 47 Cb -0.36 0.38 -0.00 0.00 -1.43 0.00 0.00 32.58 31.17 2otr s HIS 47 CO 0.42 -0.46 1.07 -1.25 -2.00 0.00 0.00 174.74 172.53 2otr s PRO 48 N -0.66 2.94 -0.12 -0.38 0.04 -1.26 -3.37 135.00 132.18 2otr s PRO 48 Ca -0.05 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 2otr s PRO 48 Cb -0.02 -1.98 -0.26 0.00 0.04 0.00 0.00 34.50 32.28 2otr s PRO 48 CO 0.04 -1.11 0.61 -0.07 0.04 0.00 0.00 177.00 176.51 2otr h LEU 49 N -0.23 0.24 2.69 -3.56 3.38 -1.97 -3.47 115.31 112.39 2otr h LEU 49 Ca -0.45 -0.84 -0.40 0.00 0.09 0.00 0.00 57.88 56.27 2otr h LEU 49 Cb 1.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2otr h LEU 49 CO 0.56 1.41 -0.52 0.29 0.09 0.00 0.00 178.44 180.26 2otr n LYS 50 N -4.21 -1.91 -0.07 1.13 5.02 -1.26 -4.91 118.16 111.95 2otr n LYS 50 Ca -0.21 0.97 -0.13 0.00 -2.02 0.00 0.00 58.31 56.93 2otr n LYS 50 Cb 0.75 -5.61 -0.10 0.00 -0.02 0.00 0.00 35.03 30.06 2otr n LYS 50 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2otr h GLY 51 N -0.13 0.00 0.00 0.72 0.00 -1.99 -3.49 103.07 98.18 2otr h GLY 51 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2otr h GLY 51 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.71 2otr n GLY 52 N 1.60 0.13 0.13 4.60 0.00 -1.26 -4.96 105.19 105.44 2otr n GLY 52 Ca -0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2otr n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2otr h LEU 53 N 0.00 0.27 1.49 0.99 3.38 -2.00 -3.47 115.31 115.97 2otr h LEU 53 Ca 0.00 -0.22 -0.40 0.00 0.09 0.00 0.00 57.88 57.36 2otr h LEU 53 Cb 0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.54 2otr h LEU 53 CO 0.00 1.01 -0.40 0.29 0.09 0.00 0.00 178.44 179.43 2otr n LYS 54 N -3.68 -1.52 -0.01 1.13 5.02 -1.26 -4.76 118.16 113.09 2otr n LYS 54 Ca -0.04 1.10 -0.01 0.00 -2.02 0.00 0.00 58.31 57.34 2otr n LYS 54 Cb 0.79 -5.53 -0.01 0.00 -0.02 0.00 0.00 35.03 30.26 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 -1.41 4.33 -3.89 4.39 9.92 -1.26 -4.99 116.55 123.63 2otr n ASP 55 Ca -0.20 -0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.76 2otr n ASP 55 Cb 0.65 0.25 0.25 0.00 -0.64 0.00 0.00 41.12 41.63 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 -2.02 0.45 -0.30 1.24 0.40 -1.26 -3.77 117.98 112.72 2otr s PHE 56 Ca -0.01 0.67 -0.17 0.00 -0.60 0.00 0.00 56.93 56.82 2otr s PHE 56 Cb 0.00 -3.21 0.20 0.00 0.51 0.00 0.00 43.02 40.53 2otr s PHE 56 CO 0.03 -4.13 1.23 1.03 0.70 0.00 0.00 175.22 174.09 2otr s ARG 57 N -5.12 0.09 -0.12 0.44 0.52 -0.37 -4.28 118.95 110.11 2otr s ARG 57 Ca 0.69 0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 56.01 2otr s ARG 57 Cb -0.14 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 2otr s ARG 57 CO 0.58 -0.02 0.07 -2.00 0.02 0.00 0.00 175.30 173.96 2otr s GLU 58 N 1.02 3.38 0.22 3.54 2.12 -1.22 -1.59 118.70 126.18 2otr s GLU 58 Ca -0.07 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.02 2otr s GLU 58 Cb -0.03 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 2otr s GLU 58 CO -0.11 0.65 0.21 0.00 -0.54 0.00 0.00 175.26 175.48 2otr s HIS 60 N -3.05 0.17 0.30 0.00 0.09 -1.26 -2.50 115.29 109.04 2otr s HIS 60 Ca 0.24 -1.02 0.12 0.00 -0.00 0.00 0.00 55.06 54.40 2otr s HIS 60 Cb 0.01 -0.70 0.52 0.00 -0.00 0.00 0.00 32.58 32.41 2otr s HIS 60 CO 0.17 -0.88 1.70 1.37 -0.00 0.00 0.00 174.74 177.10 2otr h LEU 61 N 7.51 0.00 -9.25 0.89 -0.00 -1.87 -2.85 115.31 109.74 2otr h LEU 61 Ca -0.03 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.28 2otr h LEU 61 Cb 1.02 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.54 2otr h LEU 61 CO 0.29 0.51 -0.71 -0.54 -0.00 0.00 0.00 178.44 177.99 2otr s LYS 62 N -3.81 1.67 0.17 0.17 1.02 -1.26 -4.81 119.74 112.90 2otr s LYS 62 Ca -0.02 -1.82 0.15 0.00 0.02 0.00 0.00 55.97 54.31 2otr s LYS 62 Cb 0.13 -1.57 0.73 0.00 -0.52 0.00 0.00 37.83 36.61 2otr s LYS 62 CO 0.74 0.19 1.47 -0.35 -0.92 0.00 0.00 175.35 176.48 2otr n PRO 63 N -0.66 0.09 -2.99 -1.68 -0.04 -1.26 -3.52 135.00 124.94 2otr n PRO 63 Ca -0.05 0.50 -0.16 0.00 -0.04 0.00 0.00 63.50 63.74 2otr n PRO 63 Cb 0.62 -1.75 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.94 -0.91 -3.54 3.54 2.03 -1.26 -5.12 116.55 109.35 2otr n ASP 64 Ca 0.00 -3.11 -0.15 0.00 0.52 0.00 0.00 54.79 52.05 2otr n ASP 64 Cb 0.09 0.47 -0.06 0.00 -0.72 0.00 0.00 41.12 40.90 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2otr s LEU 65 N -1.57 -0.56 0.10 -2.67 1.02 -1.23 -4.19 118.68 109.59 2otr s LEU 65 Ca 0.33 0.63 0.08 0.00 0.02 0.00 0.00 54.13 55.19 2otr s LEU 65 Cb 0.25 2.29 -0.04 0.00 0.02 0.00 0.00 46.19 48.71 2otr s LEU 65 CO -0.13 -0.50 -0.17 -0.76 0.02 0.00 0.00 176.35 174.81 2otr s LEU 66 N -1.10 2.72 -0.35 1.79 1.02 0.16 -4.47 118.68 118.45 2otr s LEU 66 Ca -0.07 -0.51 0.03 0.00 0.02 0.00 0.00 54.13 53.59 2otr s LEU 66 Cb -0.00 -1.57 0.16 0.00 0.02 0.00 0.00 46.19 44.79 2otr s LEU 66 CO 0.07 0.19 0.39 -0.22 0.02 0.00 0.00 176.35 176.80 2otr s LEU 67 N -2.01 -0.34 -1.17 1.79 0.20 -1.04 -1.78 118.68 114.33 2otr s LEU 67 Ca 0.18 -1.20 -0.06 0.00 0.69 0.00 0.00 54.13 53.74 2otr s LEU 67 Cb -0.11 0.77 0.25 0.00 -0.43 0.00 0.00 46.19 46.67 2otr s LEU 67 CO 0.10 -0.29 1.69 0.52 -0.29 0.00 0.00 176.35 178.08 2otr n VAL 68 N 4.60 4.97 -2.50 1.68 0.31 -1.26 -1.61 118.33 124.52 2otr n VAL 68 Ca 0.07 -5.27 -0.24 0.00 -0.01 0.00 0.00 64.34 58.90 2otr n VAL 68 Cb 0.47 -2.17 0.04 0.00 -0.91 0.00 0.00 33.84 31.27 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 -1.51 2.97 0.00 3.52 -0.85 -0.62 -4.21 117.35 116.66 2otr s TYR 69 Ca 0.35 0.26 0.01 0.00 -0.52 0.00 0.00 57.07 57.17 2otr s TYR 69 Cb 0.08 -2.85 -0.00 0.00 0.38 0.00 0.00 41.96 39.56 2otr s TYR 69 CO 0.05 -0.99 -0.03 1.14 -1.52 0.00 0.00 175.55 174.20 2otr s GLN 70 N -4.93 0.27 -0.24 -3.49 -2.07 -0.12 -1.23 119.66 107.84 2otr s GLN 70 Ca 0.57 -0.18 -0.06 0.00 -1.82 0.00 0.00 55.36 53.87 2otr s GLN 70 Cb -0.10 -0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 31.57 2otr s GLN 70 CO 0.41 0.06 0.02 0.42 -1.32 0.00 0.00 175.29 174.89 2otr s ILE 71 N -0.22 3.88 -0.63 3.63 1.09 -1.25 -1.44 121.20 126.26 2otr s ILE 71 Ca -0.00 -0.34 -0.20 0.00 -1.10 0.00 0.00 60.65 59.01 2otr s ILE 71 Cb -0.02 -2.81 0.10 0.00 -1.06 0.00 0.00 42.46 38.67 2otr s ILE 71 CO -0.00 0.36 0.78 -1.59 -0.10 0.00 0.00 174.94 174.39 2otr s LYS 72 N 1.55 3.10 0.54 2.79 0.00 -0.92 -4.89 119.74 121.90 2otr s LYS 72 Ca 0.06 -1.28 0.21 0.00 0.00 0.00 0.00 55.97 54.96 2otr s LYS 72 Cb -0.15 -4.30 1.44 0.00 0.00 0.00 0.00 37.83 34.82 2otr s LYS 72 CO 0.01 -1.61 2.16 0.87 0.00 0.00 0.00 175.35 176.78 2otr h LYS 73 N 9.21 0.00 -0.60 1.78 1.57 -1.95 0.63 116.57 127.22 2otr h LYS 73 Ca -0.26 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.69 2otr h LYS 73 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2otr h LYS 73 CO 1.11 0.03 0.49 -0.56 -0.57 0.00 0.00 179.45 179.95 2otr h GLN 74 N 0.00 0.00 0.00 3.15 3.07 -1.99 -2.80 115.11 116.55 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 0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.62 2otr h GLN 74 CO 0.00 0.00 -0.05 -0.85 0.09 0.00 0.00 178.83 178.03 2otr n GLU 75 N -4.08 0.04 -3.39 0.06 0.28 -0.77 -5.07 120.64 107.71 2otr n GLU 75 Ca 0.11 -0.56 -0.24 0.00 -0.16 0.00 0.00 57.16 56.31 2otr n GLU 75 Cb 0.72 -0.51 0.02 0.00 1.43 0.00 0.00 31.44 33.10 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 -0.01 -6.12 -3.99 -1.84 4.13 0.21 -4.82 115.26 102.83 2otr n ASN 76 Ca 0.00 -0.22 -0.09 0.00 1.68 0.00 0.00 54.58 55.95 2otr n ASN 76 Cb 0.52 -2.88 -0.11 0.00 -1.54 0.00 0.00 39.78 35.77 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 -2.29 0.13 -0.62 3.41 2.01 -1.08 -2.69 115.64 114.51 2otr s THR 77 Ca 0.21 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 2otr s THR 77 Cb -0.03 -0.30 0.16 0.00 0.01 0.00 0.00 72.50 72.34 2otr s THR 77 CO 0.84 -0.51 0.49 -0.22 -0.69 0.00 0.00 174.62 174.54 2otr s LEU 78 N -1.49 5.81 -0.50 4.42 2.96 0.12 -2.16 118.68 127.83 2otr s LEU 78 Ca -0.15 -2.47 -0.22 0.00 -0.22 0.00 0.00 54.13 51.07 2otr s LEU 78 Cb -0.10 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.63 2otr s LEU 78 CO -0.01 -0.54 0.77 0.12 -1.32 0.00 0.00 176.35 175.37 2otr s PHE 79 N 0.51 2.95 1.07 5.38 5.36 -0.52 -1.44 117.98 131.30 2otr s PHE 79 Ca 0.13 -0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 55.82 2otr s PHE 79 Cb -0.20 -3.72 0.23 0.00 -0.34 0.00 0.00 43.02 38.99 2otr s PHE 79 CO -0.04 -1.10 1.12 -0.51 -1.46 0.00 0.00 175.22 173.23 2otr s LEU 80 N 3.25 1.33 0.00 6.12 1.43 -1.07 -0.95 118.68 128.80 2otr s LEU 80 Ca 0.25 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2otr s LEU 80 Cb -0.15 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2otr s LEU 80 CO 0.18 -3.46 0.00 0.52 0.23 0.00 0.00 176.35 173.82 2otr n VAL 81 N -4.35 0.00 -2.18 -1.59 0.31 -1.26 -4.30 118.33 104.96 2otr n VAL 81 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.14 2otr n VAL 81 Cb 0.59 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.55 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 0.00 3.09 -0.31 5.55 3.52 -1.26 -2.67 118.95 126.87 2otr s ARG 82 Ca 0.00 0.29 -0.10 0.00 -0.13 0.00 0.00 55.73 55.79 2otr s ARG 82 Cb 0.00 -2.18 0.19 0.00 -1.56 0.00 0.00 34.95 31.40 2otr s ARG 82 CO 0.00 -0.72 1.05 -1.17 -0.81 0.00 0.00 175.30 173.65 2otr s LEU 83 N -5.10 -0.36 0.00 -0.88 1.98 -0.74 -4.25 118.68 109.34 2otr s LEU 83 Ca 0.54 -0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.72 2otr s LEU 83 Cb -0.11 0.85 0.00 0.00 0.66 0.00 0.00 46.19 47.59 2otr s LEU 83 CO 0.49 -0.05 0.00 0.61 -1.89 0.00 0.00 176.35 175.50 2otr n GLY 84 N 4.42 0.52 3.64 7.98 0.00 -1.17 -4.40 105.19 116.18 2otr n GLY 84 Ca 0.08 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 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 4.54 0.24 1.61 0.15 -1.26 0.36 113.70 115.34 2otr s SER 85 Ca 0.00 -0.63 -0.06 0.00 0.70 0.00 0.00 55.95 55.96 2otr s SER 85 Cb 0.00 -0.85 0.24 0.00 -1.71 0.00 0.00 66.02 63.71 2otr s SER 85 CO 0.00 0.01 1.83 1.12 1.20 0.00 0.00 173.24 177.40 2otr h HIS 86 N 1.98 1.16 -0.09 3.44 2.07 -2.00 -1.30 115.15 120.41 2otr h HIS 86 Ca -0.44 -0.06 -0.14 0.00 -2.85 0.00 0.00 60.37 56.87 2otr h HIS 86 Cb 1.24 -0.36 -0.01 0.00 2.57 0.00 0.00 27.41 30.86 2otr h HIS 86 CO 0.68 0.84 -0.57 0.77 -3.07 0.00 0.00 177.93 176.58 2otr h SER 87 N 1.14 0.32 -0.09 3.10 0.02 -2.00 -2.91 113.55 113.13 2otr h SER 87 Ca 0.27 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2otr h SER 87 Cb 0.13 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2otr h SER 87 CO -0.03 0.82 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.10 2otr h GLU 88 N 0.22 0.19 -0.07 3.45 3.07 -1.85 -2.98 114.58 116.61 2otr h GLU 88 Ca -0.00 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 2otr h GLU 88 Cb 1.06 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2otr h GLU 88 CO 0.09 0.55 0.05 -0.07 -1.40 0.00 0.00 179.01 178.23 2otr h LEU 89 N -0.18 0.00 0.00 1.33 4.07 -1.27 -3.49 115.31 115.78 2otr h LEU 89 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2otr h LEU 89 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2otr h LEU 89 CO 0.01 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.86