#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 1.78 0.00 3.17 2.34 -1.26 -4.83 118.68 119.87 2otr s LEU 2 Ca 0.00 -0.28 -0.13 0.00 0.06 0.00 0.00 54.13 53.78 2otr s LEU 2 Cb 0.00 -0.79 0.19 0.00 -0.56 0.00 0.00 46.19 45.03 2otr s LEU 2 CO 0.00 0.08 0.56 0.41 -1.06 0.00 0.00 176.35 176.35 2otr n THR 3 N 3.43 0.00 -3.80 5.48 -1.04 -1.18 -4.50 114.28 112.67 2otr n THR 3 Ca -0.20 -0.15 -0.26 0.00 -2.04 0.00 0.00 64.05 61.40 2otr n THR 3 Cb 0.53 -0.88 -0.17 0.00 -1.82 0.00 0.00 70.33 67.99 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 -1.90 0.63 0.39 12.58 1.09 -1.26 0.18 121.20 132.90 2otr s ILE 4 Ca 0.39 -0.26 0.08 0.00 -1.10 0.00 0.00 60.65 59.76 2otr s ILE 4 Cb -0.05 -0.88 -0.04 0.00 -1.06 0.00 0.00 42.46 40.44 2otr s ILE 4 CO 0.31 0.11 0.25 -1.61 -0.10 0.00 0.00 174.94 173.90 2otr s GLU 5 N 1.85 2.42 0.02 2.79 0.41 0.30 -4.96 118.70 121.53 2otr s GLU 5 Ca 0.02 -1.61 0.01 0.00 -0.41 0.00 0.00 54.97 52.98 2otr s GLU 5 Cb -0.14 -2.21 -0.02 0.00 -1.78 0.00 0.00 34.13 29.98 2otr s GLU 5 CO -0.07 -0.06 -0.04 0.95 -0.49 0.00 0.00 175.26 175.55 2otr s THR 6 N -2.48 0.26 0.00 3.63 -4.23 -1.26 -2.09 115.64 109.46 2otr s THR 6 Ca 0.42 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2otr s THR 6 Cb -0.01 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2otr s THR 6 CO 0.25 -0.35 0.00 -0.24 -0.54 0.00 0.00 174.62 173.74 2otr n SER 7 N 1.85 0.57 0.08 3.99 2.88 -1.26 -4.94 113.62 116.80 2otr n SER 7 Ca -0.21 -0.82 -0.07 0.00 -1.33 0.00 0.00 58.87 56.44 2otr n SER 7 Cb 0.56 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.30 -0.52 -1.46 1.57 -1.95 -3.12 116.57 110.79 2otr h LYS 8 Ca 0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2otr h LYS 8 Cb 0.00 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2otr h LYS 8 CO 0.00 -0.06 0.35 0.87 -0.57 0.00 0.00 179.45 180.03 2otr h LYS 9 N -1.03 0.57 -0.48 3.15 1.79 -1.98 -1.24 116.57 117.35 2otr h LYS 9 Ca -0.03 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2otr h LYS 9 Cb 0.37 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2otr h LYS 9 CO 0.05 0.38 0.30 0.35 -1.08 0.00 0.00 179.45 179.45 2otr h PHE 10 N 0.59 0.61 -0.05 -1.35 3.57 -1.62 0.48 116.94 119.18 2otr h PHE 10 Ca 0.21 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.52 2otr h PHE 10 Cb 0.10 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2otr h PHE 10 CO -0.00 0.40 -0.80 0.22 -2.23 0.00 0.00 178.31 175.90 2otr h ASP 11 N 0.66 0.47 1.70 0.41 3.58 -1.17 -2.24 116.42 119.84 2otr h ASP 11 Ca 0.18 -0.33 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 2otr h ASP 11 Cb -0.05 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2otr h ASP 11 CO -0.04 1.09 -0.30 0.11 -2.88 0.00 0.00 179.24 177.23 2otr h LYS 12 N 0.25 0.00 0.00 0.28 1.57 -1.01 -2.77 116.57 114.88 2otr h LYS 12 Ca -0.04 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 2otr h LYS 12 Cb 1.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2otr h LYS 12 CO 0.14 0.09 -1.15 -0.44 -0.57 0.00 0.00 179.45 177.51 2otr h ASP 13 N 0.00 0.00 0.42 0.86 5.19 -0.02 -3.32 116.42 119.55 2otr h ASP 13 Ca -0.01 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.09 2otr h ASP 13 Cb 1.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 2otr h ASP 13 CO 0.01 0.84 -1.53 0.25 -3.12 0.00 0.00 179.24 175.69 2otr h LEU 14 N 0.00 0.45 -2.00 1.55 5.85 -1.46 -3.15 115.31 116.55 2otr h LEU 14 Ca -0.10 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.05 2otr h LEU 14 Cb 1.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2otr h LEU 14 CO 0.09 1.50 0.10 0.07 -0.34 0.00 0.00 178.44 179.87 2otr h LYS 15 N 0.08 0.00 0.07 1.25 2.10 -1.62 0.18 116.57 118.63 2otr h LYS 15 Ca -0.25 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.13 2otr h LYS 15 Cb 2.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.34 2otr h LYS 15 CO 0.18 0.00 -1.39 0.82 -2.00 0.00 0.00 179.45 177.06 2otr h ILE 16 N 0.00 1.29 -0.10 0.07 1.08 -1.66 -3.24 117.51 114.96 2otr h ILE 16 Ca 0.07 -2.98 -0.16 0.00 -0.39 0.00 0.00 64.86 61.40 2otr h ILE 16 Cb 0.27 2.75 0.01 0.00 -3.07 0.00 0.00 36.82 36.77 2otr h ILE 16 CO -0.00 0.82 -0.55 -0.07 -0.69 0.00 0.00 178.15 177.65 2otr h LEU 17 N 0.04 0.65 -1.88 1.44 3.38 -1.26 -3.01 115.31 114.67 2otr h LEU 17 Ca -0.18 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.14 2otr h LEU 17 Cb 1.95 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2otr h LEU 17 CO 0.14 1.20 0.05 1.62 0.09 0.00 0.00 178.44 181.55 2otr h VAL 18 N 0.15 1.03 -0.07 1.22 3.04 -0.82 0.57 116.25 121.37 2otr h VAL 18 Ca -0.04 -0.08 -0.17 0.00 -1.01 0.00 0.00 66.70 65.40 2otr h VAL 18 Cb 1.20 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 2otr h VAL 18 CO 0.11 0.03 -0.68 0.50 -1.01 0.00 0.00 177.57 176.53 2otr h LYS 19 N 0.13 0.31 0.02 4.17 3.64 -1.57 -3.33 116.57 119.94 2otr h LYS 19 Ca 0.03 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.03 2otr h LYS 19 Cb 0.01 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2otr h LYS 19 CO -0.01 0.87 -0.77 -0.97 -2.27 0.00 0.00 179.45 176.30 2otr h ASN 20 N 0.22 0.08 0.00 4.20 -0.73 -1.15 -3.48 115.58 114.72 2otr h ASN 20 Ca -0.02 -0.78 0.00 0.00 1.87 0.00 0.00 56.30 57.38 2otr h ASN 20 Cb 1.22 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.78 2otr h ASN 20 CO 0.11 1.32 0.00 0.61 -0.37 0.00 0.00 177.43 179.10 2otr n GLY 21 N 1.56 -1.76 3.20 1.57 0.00 0.19 -5.11 105.19 104.84 2otr n GLY 21 Ca -0.22 0.79 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.90 0.50 1.61 5.36 -0.91 -4.87 117.98 118.77 2otr s PHE 22 Ca 0.00 1.43 -0.13 0.00 -0.96 0.00 0.00 56.93 57.27 2otr s PHE 22 Cb 0.00 0.29 -0.06 0.00 -0.34 0.00 0.00 43.02 42.91 2otr s PHE 22 CO 0.00 -0.58 0.91 -0.51 -1.46 0.00 0.00 175.22 173.58 2otr s ASP 23 N 2.64 6.48 -0.06 6.13 1.11 -1.26 -4.05 116.67 127.66 2otr s ASP 23 Ca 0.03 1.35 0.13 0.00 0.18 0.00 0.00 52.55 54.25 2otr s ASP 23 Cb -0.13 -2.42 -0.23 0.00 1.07 0.00 0.00 42.92 41.20 2otr s ASP 23 CO -0.15 -0.59 0.60 0.18 1.18 0.00 0.00 175.17 176.39 2otr n LEU 24 N -1.79 0.77 -0.20 1.23 4.32 -1.26 -4.11 117.00 115.96 2otr n LEU 24 Ca 0.05 0.37 0.03 0.00 -0.02 0.00 0.00 56.01 56.44 2otr n LEU 24 Cb 0.54 0.21 0.30 0.00 -1.62 0.00 0.00 43.42 42.85 2otr n LEU 24 CO 0.50 0.40 1.23 0.50 -1.22 0.00 0.00 177.39 178.79 2otr h LYS 25 N 0.00 0.86 -0.04 3.23 3.64 -2.00 -0.99 116.57 121.27 2otr h LYS 25 Ca -0.31 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 2otr h LYS 25 Cb 2.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 2otr h LYS 25 CO 0.07 0.57 -0.30 1.37 -2.27 0.00 0.00 179.45 178.89 2otr h LEU 26 N 0.89 0.07 -0.87 5.20 8.10 -2.00 -1.89 115.31 124.81 2otr h LEU 26 Ca 0.29 -0.02 -0.11 0.00 0.11 0.00 0.00 57.88 58.15 2otr h LEU 26 Cb 0.06 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.24 2otr h LEU 26 CO -0.08 0.37 -0.53 0.25 -4.11 0.00 0.00 178.44 174.34 2otr h LEU 27 N 0.07 0.00 0.00 0.17 5.85 -1.35 0.64 115.31 120.68 2otr h LEU 27 Ca 0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 2otr h LEU 27 Cb 0.56 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2otr h LEU 27 CO 0.04 0.53 -0.79 1.88 -0.34 0.00 0.00 178.44 179.76 2otr h TYR 28 N 0.00 0.00 0.07 1.25 0.05 -1.10 -3.34 116.97 113.90 2otr h TYR 28 Ca -0.01 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.46 2otr h TYR 28 Cb 0.99 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 2otr h TYR 28 CO 0.00 0.52 -1.70 0.87 -1.05 0.00 0.00 178.16 176.80 2otr h LYS 29 N 0.00 0.15 0.00 4.88 1.57 -1.21 -3.33 116.57 118.63 2otr h LYS 29 Ca -0.05 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2otr h LYS 29 Cb 1.44 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2otr h LYS 29 CO 0.06 0.90 0.00 -0.24 -0.57 0.00 0.00 179.45 179.60 2otr h VAL 30 N 0.04 0.00 -0.96 0.50 3.04 -0.98 -2.69 116.25 115.20 2otr h VAL 30 Ca -0.30 -0.01 0.23 0.00 -1.01 0.00 0.00 66.70 65.61 2otr h VAL 30 Cb 2.01 0.98 -0.12 0.00 -2.01 0.00 0.00 31.29 32.14 2otr h VAL 30 CO 0.11 0.00 0.52 -0.37 -1.01 0.00 0.00 177.57 176.82 2otr h VAL 31 N 0.00 0.54 0.00 1.51 -1.51 -1.68 0.51 116.25 115.62 2otr h VAL 31 Ca 0.00 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.28 2otr h VAL 31 Cb 0.01 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.13 2otr h VAL 31 CO 0.00 0.10 -0.02 1.23 -1.23 0.00 0.00 177.57 177.64 2otr h GLY 32 N 0.53 0.00 1.07 5.19 0.00 -1.75 -1.98 103.07 106.13 2otr h GLY 32 Ca 0.60 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.65 2otr h GLY 32 CO -0.48 0.00 -1.65 3.43 0.00 0.00 0.00 176.54 177.84 2otr h ASN 33 N 0.00 0.00 -0.61 0.19 2.35 -0.27 -3.22 115.58 114.02 2otr h ASN 33 Ca -0.00 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2otr h ASN 33 Cb 0.05 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2otr h ASN 33 CO 0.00 1.00 0.21 -0.07 -1.65 0.00 0.00 177.43 176.93 2otr h LEU 34 N 0.00 0.89 0.06 1.61 3.38 -0.32 0.83 115.31 121.77 2otr h LEU 34 Ca -0.26 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2otr h LEU 34 Cb 1.99 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2otr h LEU 34 CO 0.08 0.83 -0.03 0.00 0.09 0.00 0.00 178.44 179.41 2otr h ALA 35 N 1.29 -0.08 -0.33 1.53 0.00 -1.58 -3.33 119.26 116.76 2otr h ALA 35 Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2otr h ALA 35 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2otr h ALA 35 CO -0.01 -0.20 -0.01 1.79 0.00 0.00 0.00 179.25 180.82 2otr h THR 36 N -0.78 1.26 -5.54 0.00 1.35 -1.56 -3.48 112.91 104.17 2otr h THR 36 Ca -0.01 -0.98 -0.31 0.00 -0.55 0.00 0.00 66.41 64.56 2otr h THR 36 Cb 0.62 1.24 0.17 0.00 -1.73 0.00 0.00 68.15 68.46 2otr h THR 36 CO 0.01 0.32 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.21 2otr n GLU 37 N -4.52 -5.67 -0.10 4.72 1.02 0.29 -4.97 120.64 111.41 2otr n GLU 37 Ca -0.02 0.84 -0.19 0.00 -0.02 0.00 0.00 57.16 57.76 2otr n GLU 37 Cb 0.27 -5.79 -0.09 0.00 -0.02 0.00 0.00 31.44 25.81 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 -3.90 0.55 0.00 3.49 6.02 -1.26 -4.89 117.38 117.38 2otr n GLN 38 Ca -0.24 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2otr n GLN 38 Cb 0.66 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 -4.45 0.00 -3.40 -1.09 -0.04 -1.26 -4.93 135.00 119.84 2otr n PRO 39 Ca -0.30 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 62.92 2otr n PRO 39 Cb 0.62 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.11 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 -2.29 -1.66 1.53 4.77 -1.26 -4.41 117.00 113.68 2otr n LEU 40 Ca 0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2otr n LEU 40 Cb 0.00 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 2otr n LEU 40 CO 0.00 0.29 -0.41 0.00 -1.33 0.00 0.00 177.39 175.94 2otr n ALA 41 N -3.92 -2.18 1.43 -1.18 0.00 -1.25 -2.12 120.51 111.30 2otr n ALA 41 Ca -0.03 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.95 2otr n ALA 41 Cb 0.56 -1.32 0.72 0.00 0.00 0.00 0.00 19.45 19.42 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 0.63 0.57 -0.09 0.00 -0.04 -1.26 -1.22 135.00 133.59 2otr n PRO 42 Ca 0.00 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 2otr n PRO 42 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 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 -1.17 0.99 -0.11 0.54 2.85 -1.26 -4.72 118.16 115.28 2otr n LYS 43 Ca 0.16 0.02 -0.21 0.00 -1.05 0.00 0.00 58.31 57.23 2otr n LYS 43 Cb 0.16 -1.45 -0.08 0.00 -0.65 0.00 0.00 35.03 33.01 2otr n LYS 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2otr n TYR 44 N -2.77 0.47 -1.42 5.58 4.01 -1.21 -5.11 117.16 116.71 2otr n TYR 44 Ca -0.31 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2otr n TYR 44 Cb 1.04 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 -4.39 -3.78 -3.40 -0.72 4.76 -0.35 -4.89 118.16 105.38 2otr n LYS 45 Ca -0.35 2.92 -0.38 0.00 -2.87 0.00 0.00 58.31 57.62 2otr n LYS 45 Cb 0.69 -3.59 -0.06 0.00 -1.84 0.00 0.00 35.03 30.23 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 -4.86 6.92 -0.12 4.39 2.15 -1.26 -4.74 116.67 119.14 2otr s ASP 46 Ca 0.00 1.09 -0.27 0.00 0.43 0.00 0.00 52.55 53.80 2otr s ASP 46 Cb 0.00 -2.30 0.06 0.00 -0.30 0.00 0.00 42.92 40.38 2otr s ASP 46 CO 0.00 0.29 0.64 -1.38 -0.17 0.00 0.00 175.17 174.55 2otr s HIS 47 N -1.02 -0.64 0.65 -5.34 -3.43 -1.23 -5.07 115.29 99.21 2otr s HIS 47 Ca 0.26 1.28 -0.11 0.00 -0.80 0.00 0.00 55.06 55.69 2otr s HIS 47 Cb -0.18 0.32 0.16 0.00 -1.43 0.00 0.00 32.58 31.45 2otr s HIS 47 CO 0.16 -0.50 0.66 -0.35 -2.00 0.00 0.00 174.74 172.72 2otr n PRO 48 N 1.59 -1.73 -0.00 -0.38 -0.04 -1.26 -3.64 135.00 129.53 2otr n PRO 48 Ca -0.17 -1.05 -0.00 0.00 -0.04 0.00 0.00 63.50 62.24 2otr n PRO 48 Cb 0.56 -0.88 -0.00 0.00 -0.04 0.00 0.00 33.50 33.15 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 0.05 -3.49 1.53 4.77 -1.10 -4.91 117.00 113.86 2otr n LEU 49 Ca 0.09 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 2otr n LEU 49 Cb 0.33 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2otr n LEU 49 CO 0.23 -0.50 -0.31 -0.54 -1.33 0.00 0.00 177.39 174.95 2otr s LYS 50 N -1.04 0.38 0.04 3.23 1.02 -1.26 -5.11 119.74 116.98 2otr s LYS 50 Ca -0.01 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 2otr s LYS 50 Cb 0.00 -1.17 -0.08 0.00 -0.52 0.00 0.00 37.83 36.06 2otr s LYS 50 CO 0.01 -1.11 1.77 0.20 -0.92 0.00 0.00 175.35 175.30 2otr s GLY 51 N 1.63 1.49 0.00 -3.33 0.00 -1.26 -2.83 107.32 103.01 2otr s GLY 51 Ca 0.13 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2otr s GLY 51 CO -0.18 3.13 0.00 0.61 0.00 0.00 0.00 173.10 176.66 2otr n GLY 52 N 4.22 1.92 0.00 0.20 0.00 -1.26 -4.91 105.19 105.36 2otr n GLY 52 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2otr n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2otr n LEU 53 N 0.00 0.00 -3.93 0.99 -0.00 -1.22 -5.13 117.00 107.72 2otr n LEU 53 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 2otr n LEU 53 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 2otr n LEU 53 CO 0.00 0.00 -0.42 -0.54 -0.00 0.00 0.00 177.39 176.43 2otr s LYS 54 N -0.86 1.05 -0.18 1.47 -0.14 -1.13 -5.01 119.74 114.93 2otr s LYS 54 Ca 0.00 -0.18 0.10 0.00 -1.36 0.00 0.00 55.97 54.53 2otr s LYS 54 Cb 0.00 -0.98 0.61 0.00 -1.68 0.00 0.00 37.83 35.78 2otr s LYS 54 CO 0.00 -0.05 1.44 -0.25 -0.76 0.00 0.00 175.35 175.72 2otr n ASP 55 N 3.99 4.50 -4.78 2.83 9.92 -1.26 -4.40 116.55 127.35 2otr n ASP 55 Ca -0.24 -2.71 -0.37 0.00 -0.53 0.00 0.00 54.79 50.94 2otr n ASP 55 Cb 0.51 -0.64 -0.05 0.00 -0.64 0.00 0.00 41.12 40.29 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 -2.32 3.58 -0.17 1.24 0.08 -1.26 -4.33 117.98 114.80 2otr s PHE 56 Ca 0.41 1.75 -0.22 0.00 0.12 0.00 0.00 56.93 58.98 2otr s PHE 56 Cb 0.31 -3.03 0.06 0.00 -0.57 0.00 0.00 43.02 39.79 2otr s PHE 56 CO 0.12 -0.09 0.58 1.03 -0.10 0.00 0.00 175.22 176.76 2otr s ARG 57 N -2.04 0.75 0.07 0.44 0.52 -1.05 -2.70 118.95 114.95 2otr s ARG 57 Ca 0.51 0.62 0.06 0.00 -0.52 0.00 0.00 55.73 56.40 2otr s ARG 57 Cb -0.22 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 2otr s ARG 57 CO 0.27 -0.14 -0.17 -2.00 0.02 0.00 0.00 175.30 173.29 2otr s GLU 58 N -0.12 0.97 0.09 3.54 2.12 -1.24 -0.62 118.70 123.43 2otr s GLU 58 Ca -0.03 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.33 2otr s GLU 58 Cb -0.03 -1.06 -0.01 0.00 0.26 0.00 0.00 34.13 33.29 2otr s GLU 58 CO 0.03 0.25 0.06 0.00 -0.54 0.00 0.00 175.26 175.06 2otr s HIS 60 N -2.22 0.38 0.18 0.00 0.09 -1.26 -0.79 115.29 111.68 2otr s HIS 60 Ca 0.09 -1.57 -0.12 0.00 -0.00 0.00 0.00 55.06 53.45 2otr s HIS 60 Cb 0.00 -0.68 0.10 0.00 -0.00 0.00 0.00 32.58 32.01 2otr s HIS 60 CO 0.06 -0.90 1.82 1.37 -0.00 0.00 0.00 174.74 177.09 2otr h LEU 61 N 6.39 0.75-10.35 0.89 -0.00 -1.86 -3.32 115.31 107.81 2otr h LEU 61 Ca 0.13 -0.07 -0.44 0.00 -0.00 0.00 0.00 57.88 57.51 2otr h LEU 61 Cb 0.98 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2otr h LEU 61 CO 0.26 0.60 -0.30 -0.54 -0.00 0.00 0.00 178.44 178.46 2otr s LYS 62 N -5.96 3.04 0.00 0.17 3.01 -1.25 -4.63 119.74 114.12 2otr s LYS 62 Ca -0.13 -1.03 0.24 0.00 -1.01 0.00 0.00 55.97 54.04 2otr s LYS 62 Cb 0.13 -2.79 1.29 0.00 -1.01 0.00 0.00 37.83 35.45 2otr s LYS 62 CO 0.77 -0.05 1.79 -0.35 0.51 0.00 0.00 175.35 178.03 2otr n PRO 63 N -1.73 0.50 -1.87 -1.68 -0.04 -1.26 -3.48 135.00 125.44 2otr n PRO 63 Ca 0.02 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2otr n PRO 63 Cb 0.58 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.18 0.31 -3.72 3.54 -0.08 -1.26 -5.10 116.55 109.06 2otr n ASP 64 Ca 0.14 -2.04 -0.14 0.00 -1.51 0.00 0.00 54.79 51.24 2otr n ASP 64 Cb 0.15 -0.06 -0.09 0.00 2.34 0.00 0.00 41.12 43.46 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 -1.51 0.46 0.00 -2.67 1.02 -1.23 -4.08 118.68 110.68 2otr s LEU 65 Ca 0.21 0.50 0.02 0.00 0.02 0.00 0.00 54.13 54.88 2otr s LEU 65 Cb 0.29 1.51 0.02 0.00 0.02 0.00 0.00 46.19 48.02 2otr s LEU 65 CO -0.09 -0.34 0.13 0.18 0.02 0.00 0.00 176.35 176.25 2otr n LEU 66 N 1.92 0.00 -3.15 1.79 4.32 -1.26 -3.86 117.00 116.76 2otr n LEU 66 Ca -0.18 -0.95 0.05 0.00 -0.02 0.00 0.00 56.01 54.91 2otr n LEU 66 Cb 0.57 -0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.36 2otr n LEU 66 CO 0.18 -0.35 0.42 -0.22 -1.22 0.00 0.00 177.39 176.20 2otr s LEU 67 N 0.00 -0.78 -0.26 2.23 0.20 0.03 -3.58 118.68 116.53 2otr s LEU 67 Ca 0.10 0.22 -0.16 0.00 0.69 0.00 0.00 54.13 54.98 2otr s LEU 67 Cb -0.01 1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 47.26 2otr s LEU 67 CO 0.06 -0.14 0.41 -0.69 -0.29 0.00 0.00 176.35 175.70 2otr s VAL 68 N 2.92 5.15 0.07 1.68 1.01 -0.71 -1.10 120.40 129.43 2otr s VAL 68 Ca 0.16 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2otr s VAL 68 Cb -0.07 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2otr s VAL 68 CO -0.20 0.16 -0.05 -0.72 0.00 0.00 0.00 175.10 174.29 2otr s TYR 69 N 1.99 0.71 -0.08 5.22 -0.85 0.21 0.15 117.35 124.69 2otr s TYR 69 Ca 0.17 -0.97 -0.00 0.00 -0.52 0.00 0.00 57.07 55.75 2otr s TYR 69 Cb -0.16 -0.45 0.02 0.00 0.38 0.00 0.00 41.96 41.76 2otr s TYR 69 CO 0.09 -0.25 -0.05 -1.14 -1.52 0.00 0.00 175.55 172.68 2otr s GLN 70 N -3.77 1.10 -0.03 -3.49 0.74 0.48 -2.53 119.66 112.17 2otr s GLN 70 Ca 0.09 -0.12 -0.25 0.00 0.05 0.00 0.00 55.36 55.13 2otr s GLN 70 Cb 0.06 -1.22 -0.04 0.00 1.10 0.00 0.00 33.01 32.91 2otr s GLN 70 CO -0.07 -0.22 0.78 0.42 -0.55 0.00 0.00 175.29 175.65 2otr s ILE 71 N 1.55 4.94 -0.76 -2.34 -1.09 -1.26 -2.56 121.20 119.67 2otr s ILE 71 Ca 0.00 1.62 -0.02 0.00 -2.23 0.00 0.00 60.65 60.02 2otr s ILE 71 Cb -0.13 -4.12 0.19 0.00 -1.58 0.00 0.00 42.46 36.82 2otr s ILE 71 CO -0.05 0.26 0.61 -1.59 -1.23 0.00 0.00 174.94 172.94 2otr s LYS 72 N 0.65 2.92 0.63 2.79 0.00 -0.91 -4.91 119.74 120.91 2otr s LYS 72 Ca 0.41 -2.94 0.32 0.00 0.00 0.00 0.00 55.97 53.76 2otr s LYS 72 Cb -0.19 -3.83 1.80 0.00 0.00 0.00 0.00 37.83 35.60 2otr s LYS 72 CO 0.21 -1.23 2.09 0.87 0.00 0.00 0.00 175.35 177.30 2otr h LYS 73 N 6.45 0.00 -0.81 1.78 1.57 -1.95 0.55 116.57 124.16 2otr h LYS 73 Ca 0.08 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.09 2otr h LYS 73 Cb 0.88 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2otr h LYS 73 CO 0.78 0.00 0.58 -0.56 -0.57 0.00 0.00 179.45 179.68 2otr h GLN 74 N 0.00 0.03 0.00 3.15 3.07 -1.97 -2.87 115.11 116.53 2otr h GLN 74 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 2otr h GLN 74 Cb 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.04 2otr h GLN 74 CO -0.00 0.02 -0.29 -0.85 0.09 0.00 0.00 178.83 177.80 2otr n GLU 75 N -4.31 0.00 -3.56 0.06 0.28 -0.58 -5.05 120.64 107.47 2otr n GLU 75 Ca 0.17 -0.73 -0.18 0.00 -0.16 0.00 0.00 57.16 56.26 2otr n GLU 75 Cb 0.86 -0.44 0.00 0.00 1.43 0.00 0.00 31.44 33.29 2otr n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2otr n ASN 76 N 0.00 -5.79 -3.93 -1.84 5.15 0.08 -4.87 115.26 104.06 2otr n ASN 76 Ca 0.00 -0.70 -0.12 0.00 -0.60 0.00 0.00 54.58 53.17 2otr n ASN 76 Cb 0.61 -2.90 -0.13 0.00 -0.53 0.00 0.00 39.78 36.83 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2otr s THR 77 N -3.03 0.13 -0.67 -0.44 2.01 -1.13 -3.10 115.64 109.41 2otr s THR 77 Ca 0.03 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 2otr s THR 77 Cb -0.01 -0.18 0.15 0.00 0.01 0.00 0.00 72.50 72.46 2otr s THR 77 CO 0.85 -0.16 0.70 -0.22 -0.69 0.00 0.00 174.62 175.10 2otr s LEU 78 N -0.56 5.97 -0.36 4.42 0.20 0.13 -2.13 118.68 126.35 2otr s LEU 78 Ca -0.05 -1.94 -0.18 0.00 0.69 0.00 0.00 54.13 52.66 2otr s LEU 78 Cb -0.04 -2.26 -0.00 0.00 -0.43 0.00 0.00 46.19 43.46 2otr s LEU 78 CO -0.00 -0.89 0.49 0.12 -0.29 0.00 0.00 176.35 175.78 2otr s PHE 79 N 1.68 3.18 1.01 5.38 5.36 -1.06 -0.54 117.98 132.99 2otr s PHE 79 Ca 0.12 0.08 -0.12 0.00 -0.96 0.00 0.00 56.93 56.05 2otr s PHE 79 Cb -0.20 -2.91 0.20 0.00 -0.34 0.00 0.00 43.02 39.76 2otr s PHE 79 CO -0.00 -0.56 1.09 -0.51 -1.46 0.00 0.00 175.22 173.78 2otr s LEU 80 N 2.34 1.51 0.17 6.12 2.01 -0.89 -0.39 118.68 129.55 2otr s LEU 80 Ca 0.17 1.17 0.00 0.00 0.01 0.00 0.00 54.13 55.48 2otr s LEU 80 Cb -0.16 -3.32 0.00 0.00 0.01 0.00 0.00 46.19 42.72 2otr s LEU 80 CO 0.13 -3.22 0.00 0.52 1.01 0.00 0.00 176.35 174.80 2otr n VAL 81 N -4.23 0.14 -4.38 -1.59 0.31 0.39 -4.17 118.33 104.81 2otr n VAL 81 Ca 0.05 0.05 -0.19 0.00 -0.01 0.00 0.00 64.34 64.23 2otr n VAL 81 Cb 0.57 -0.51 -0.10 0.00 -0.91 0.00 0.00 33.84 32.90 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 -1.63 1.59 -0.27 5.55 3.52 -0.47 -2.92 118.95 124.32 2otr s ARG 82 Ca 0.00 -1.90 -0.28 0.00 -0.13 0.00 0.00 55.73 53.43 2otr s ARG 82 Cb 0.00 -0.37 0.18 0.00 -1.56 0.00 0.00 34.95 33.20 2otr s ARG 82 CO 0.00 -0.35 1.32 -1.17 -0.81 0.00 0.00 175.30 174.29 2otr s LEU 83 N -3.41 -0.11 0.00 -0.88 0.20 -1.26 -1.74 118.68 111.49 2otr s LEU 83 Ca 0.35 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.32 2otr s LEU 83 Cb 0.06 1.24 0.00 0.00 -0.43 0.00 0.00 46.19 47.06 2otr s LEU 83 CO 0.15 -0.08 0.00 0.61 -0.29 0.00 0.00 176.35 176.75 2otr n GLY 84 N 0.95 1.70 3.64 7.98 0.00 -1.23 -4.69 105.19 113.54 2otr n GLY 84 Ca -0.05 -1.38 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 2otr n GLY 84 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2otr n SER 85 N -0.00 2.05 0.17 1.61 2.88 -1.26 -4.59 113.62 114.48 2otr n SER 85 Ca 0.00 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 2otr n SER 85 Cb 0.00 -1.38 0.65 0.00 -0.75 0.00 0.00 64.21 62.73 2otr n SER 85 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2otr h HIS 86 N 2.59 0.02 -0.21 0.66 2.76 -1.94 -0.56 115.15 118.45 2otr h HIS 86 Ca -0.43 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.69 2otr h HIS 86 Cb 1.31 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 2otr h HIS 86 CO 0.50 0.01 -0.11 0.66 -1.30 0.00 0.00 177.93 177.69 2otr h SER 87 N 0.02 0.32 -0.07 3.26 4.64 -1.96 -1.13 113.55 118.62 2otr h SER 87 Ca 0.09 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 2otr h SER 87 Cb 0.34 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2otr h SER 87 CO -0.00 0.47 -0.42 -0.08 -0.87 0.00 0.00 176.83 175.93 2otr h GLU 88 N 0.32 0.41 0.24 4.77 4.57 -1.45 -3.36 114.58 120.08 2otr h GLU 88 Ca 0.06 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2otr h GLU 88 Cb 0.40 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2otr h GLU 88 CO 0.02 0.99 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.66 2otr h LEU 89 N -0.05 -0.27 0.00 1.64 4.07 -1.31 -3.51 115.31 115.87 2otr h LEU 89 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2otr h LEU 89 Cb 1.08 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2otr h LEU 89 CO 0.09 -0.16 0.00 0.33 -1.08 0.00 0.00 178.44 177.62