#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 4.24 0.00 4.03 2.34 -1.26 -4.85 118.68 123.18 2otr s LEU 2 Ca 0.00 0.42 -0.10 0.00 0.06 0.00 0.00 54.13 54.51 2otr s LEU 2 Cb 0.00 -2.26 0.14 0.00 -0.56 0.00 0.00 46.19 43.51 2otr s LEU 2 CO 0.00 0.15 0.49 0.41 -1.06 0.00 0.00 176.35 176.34 2otr n THR 3 N 3.43 0.00 -3.86 5.48 -1.04 -1.12 -4.57 114.28 112.60 2otr n THR 3 Ca -0.14 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.05 61.40 2otr n THR 3 Cb 0.52 -1.01 -0.16 0.00 -1.82 0.00 0.00 70.33 67.85 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 -1.86 0.98 0.33 12.58 1.09 -1.26 0.17 121.20 133.23 2otr s ILE 4 Ca 0.32 -0.58 0.07 0.00 -1.10 0.00 0.00 60.65 59.37 2otr s ILE 4 Cb -0.03 -1.21 -0.03 0.00 -1.06 0.00 0.00 42.46 40.13 2otr s ILE 4 CO 0.25 0.08 0.30 -1.61 -0.10 0.00 0.00 174.94 173.86 2otr s GLU 5 N 1.68 2.78 0.06 2.79 0.41 0.19 -4.94 118.70 121.67 2otr s GLU 5 Ca 0.01 -1.24 0.03 0.00 -0.41 0.00 0.00 54.97 53.35 2otr s GLU 5 Cb -0.15 -2.52 -0.03 0.00 -1.78 0.00 0.00 34.13 29.65 2otr s GLU 5 CO -0.07 0.13 -0.09 0.95 -0.49 0.00 0.00 175.26 175.68 2otr s THR 6 N -2.27 0.69 0.00 3.63 -4.23 -1.26 -1.88 115.64 110.32 2otr s THR 6 Ca 0.40 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2otr s THR 6 Cb -0.06 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2otr s THR 6 CO 0.27 -0.41 0.00 -0.24 -0.54 0.00 0.00 174.62 173.70 2otr n SER 7 N 1.22 0.53 -0.06 3.99 2.88 -1.26 -4.91 113.62 116.01 2otr n SER 7 Ca -0.21 -0.95 -0.06 0.00 -1.33 0.00 0.00 58.87 56.32 2otr n SER 7 Cb 0.55 0.00 -0.05 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 0.00 -0.18 -1.46 1.57 -1.94 -3.21 116.57 111.35 2otr h LYS 8 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2otr h LYS 8 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2otr h LYS 8 CO 0.00 0.36 0.13 0.87 -0.57 0.00 0.00 179.45 180.23 2otr h LYS 9 N -1.00 0.10 -0.27 3.15 1.57 -1.98 -2.06 116.57 116.07 2otr h LYS 9 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2otr h LYS 9 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2otr h LYS 9 CO -0.01 0.06 0.10 0.35 -0.57 0.00 0.00 179.45 179.38 2otr h PHE 10 N 0.10 0.42 -0.20 -1.35 3.57 -1.67 -2.22 116.94 115.59 2otr h PHE 10 Ca 0.08 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2otr h PHE 10 Cb 0.20 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2otr h PHE 10 CO -0.00 0.44 0.14 -0.44 -2.23 0.00 0.00 178.31 176.22 2otr h ASP 11 N 0.28 0.09 0.45 0.41 5.19 -1.37 0.97 116.42 122.44 2otr h ASP 11 Ca 0.09 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2otr h ASP 11 Cb 0.21 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2otr h ASP 11 CO -0.01 0.06 -0.15 0.29 -3.12 0.00 0.00 179.24 176.31 2otr n LYS 12 N -4.50 0.53 -0.10 3.56 5.02 -0.96 -3.68 118.16 118.03 2otr n LYS 12 Ca 0.01 -0.20 -0.22 0.00 -2.02 0.00 0.00 58.31 55.89 2otr n LYS 12 Cb 0.20 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 2otr n LYS 12 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2otr h ASP 13 N 0.48 0.01 -0.85 4.39 3.32 -0.23 -3.38 116.42 120.17 2otr h ASP 13 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.55 2otr h ASP 13 Cb 0.40 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2otr h ASP 13 CO 0.00 1.51 0.56 0.25 -1.72 0.00 0.00 179.24 179.84 2otr h LEU 14 N -0.96 0.94 -2.19 1.55 5.85 -1.61 -1.43 115.31 117.45 2otr h LEU 14 Ca -0.36 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.40 2otr h LEU 14 Cb 1.33 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2otr h LEU 14 CO -0.20 0.67 0.20 0.07 -0.34 0.00 0.00 178.44 178.83 2otr h LYS 15 N 1.10 0.00 0.00 1.25 2.10 -1.75 0.46 116.57 119.74 2otr h LYS 15 Ca 0.32 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.76 2otr h LYS 15 Cb -0.06 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.24 2otr h LYS 15 CO -0.08 0.00 -1.24 0.82 -2.00 0.00 0.00 179.45 176.95 2otr h ILE 16 N 0.00 1.09 0.04 0.07 1.08 -1.43 -3.29 117.51 115.07 2otr h ILE 16 Ca 0.09 -2.76 -0.28 0.00 -0.39 0.00 0.00 64.86 61.52 2otr h ILE 16 Cb 0.48 2.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 2otr h ILE 16 CO -0.00 0.62 -1.53 -0.07 -0.69 0.00 0.00 178.15 176.48 2otr h LEU 17 N 0.00 0.15 -1.42 1.44 3.38 -0.85 -3.19 115.31 114.81 2otr h LEU 17 Ca -0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2otr h LEU 17 Cb 1.77 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2otr h LEU 17 CO 0.09 1.20 -0.16 1.62 0.09 0.00 0.00 178.44 181.28 2otr h VAL 18 N 0.03 1.18 0.14 1.22 3.04 -0.30 0.85 116.25 122.40 2otr h VAL 18 Ca -0.22 -0.80 -0.30 0.00 -1.01 0.00 0.00 66.70 64.36 2otr h VAL 18 Cb 1.96 1.27 0.03 0.00 -2.01 0.00 0.00 31.29 32.54 2otr h VAL 18 CO 0.11 0.24 -1.26 0.50 -1.01 0.00 0.00 177.57 176.16 2otr h LYS 19 N 0.17 0.61 0.10 4.17 1.63 -1.67 -3.34 116.57 118.24 2otr h LYS 19 Ca 0.03 -0.84 -0.29 0.00 -0.85 0.00 0.00 60.65 58.70 2otr h LYS 19 Cb 0.39 0.28 0.02 0.00 -0.60 0.00 0.00 32.23 32.33 2otr h LYS 19 CO 0.02 1.39 -1.20 -0.91 -3.45 0.00 0.00 179.45 175.30 2otr h ASN 20 N 0.24 0.81 0.00 4.20 2.35 -1.49 -3.47 115.58 118.22 2otr h ASN 20 Ca -0.20 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2otr h ASN 20 Cb 1.94 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 40.06 2otr h ASN 20 CO 0.24 1.54 0.00 0.61 -1.65 0.00 0.00 177.43 178.18 2otr n GLY 21 N 1.32 -0.49 3.61 2.83 0.00 0.29 -5.10 105.19 107.65 2otr n GLY 21 Ca -0.12 0.57 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 0.10 0.19 1.61 5.36 -0.59 -4.77 117.98 119.88 2otr s PHE 22 Ca 0.00 -0.47 0.10 0.00 -0.96 0.00 0.00 56.93 55.60 2otr s PHE 22 Cb 0.00 0.35 -0.04 0.00 -0.34 0.00 0.00 43.02 42.99 2otr s PHE 22 CO 0.00 -1.01 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.03 2otr s ASP 23 N -2.95 3.15 -0.16 6.13 1.01 -1.26 -4.73 116.67 117.86 2otr s ASP 23 Ca 0.16 -0.89 -0.24 0.00 0.71 0.00 0.00 52.55 52.29 2otr s ASP 23 Cb -0.02 -0.22 -0.21 0.00 1.01 0.00 0.00 42.92 43.48 2otr s ASP 23 CO 0.04 0.05 0.50 -0.07 0.21 0.00 0.00 175.17 175.91 2otr h LEU 24 N 3.11 0.00 -2.17 1.23 4.07 -2.01 -3.34 115.31 116.21 2otr h LEU 24 Ca -0.44 -0.74 -0.01 0.00 0.08 0.00 0.00 57.88 56.77 2otr h LEU 24 Cb 1.21 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 2otr h LEU 24 CO 0.51 1.14 -0.03 0.50 -1.08 0.00 0.00 178.44 179.48 2otr h LYS 25 N -1.00 0.00 -0.81 1.13 3.64 -1.99 -2.89 116.57 114.65 2otr h LYS 25 Ca -0.12 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.39 2otr h LYS 25 Cb 1.04 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.77 2otr h LYS 25 CO -0.07 0.03 0.41 1.25 -2.27 0.00 0.00 179.45 178.79 2otr h LEU 26 N 0.00 0.50 0.34 5.20 7.12 -1.98 0.26 115.31 126.74 2otr h LEU 26 Ca -0.00 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 2otr h LEU 26 Cb 0.27 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2otr h LEU 26 CO 0.00 0.23 -0.16 0.25 -0.13 0.00 0.00 178.44 178.63 2otr h LEU 27 N 0.61 -0.39 -2.12 2.25 5.85 -1.70 0.33 115.31 120.15 2otr h LEU 27 Ca 0.43 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2otr h LEU 27 Cb 0.57 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2otr h LEU 27 CO -0.34 -0.11 0.00 1.88 -0.34 0.00 0.00 178.44 179.53 2otr h TYR 28 N -0.67 0.00 0.09 1.25 0.05 -1.56 -2.11 116.97 114.01 2otr h TYR 28 Ca -0.05 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.39 2otr h TYR 28 Cb 0.47 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 2otr h TYR 28 CO -0.00 0.00 -1.90 1.17 -1.05 0.00 0.00 178.16 176.38 2otr n LYS 29 N -2.81 0.72 0.26 4.88 0.00 0.87 -4.04 118.16 118.04 2otr n LYS 29 Ca -0.01 0.28 0.15 0.00 0.00 0.00 0.00 58.31 58.72 2otr n LYS 29 Cb 0.12 -1.74 0.56 0.00 0.00 0.00 0.00 35.03 33.98 2otr n LYS 29 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 2otr h VAL 30 N 0.05 0.14 -0.98 3.15 3.04 0.23 -3.19 116.25 118.70 2otr h VAL 30 Ca -0.38 -0.73 0.22 0.00 -1.01 0.00 0.00 66.70 64.80 2otr h VAL 30 Cb 2.03 1.64 -0.12 0.00 -2.01 0.00 0.00 31.29 32.83 2otr h VAL 30 CO 0.09 0.06 0.56 1.62 -1.01 0.00 0.00 177.57 178.89 2otr h VAL 31 N 0.00 0.58 -0.01 1.51 3.04 -1.54 0.42 116.25 120.26 2otr h VAL 31 Ca -0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2otr h VAL 31 Cb 0.64 -0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2otr h VAL 31 CO 0.01 0.11 0.01 1.23 -1.01 0.00 0.00 177.57 177.91 2otr h GLY 32 N 0.61 0.00 1.00 3.17 0.00 -1.80 -1.20 103.07 104.85 2otr h GLY 32 Ca 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.86 2otr h GLY 32 CO -0.45 0.00 -1.18 3.43 0.00 0.00 0.00 176.54 178.34 2otr h ASN 33 N 0.00 0.00 0.25 0.19 2.35 -0.44 -3.28 115.58 114.65 2otr h ASN 33 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.55 2otr h ASN 33 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 2otr h ASN 33 CO -0.00 0.26 -0.83 -0.07 -1.65 0.00 0.00 177.43 175.15 2otr h LEU 34 N 0.00 0.55 -0.53 1.61 3.38 -0.00 0.92 115.31 121.23 2otr h LEU 34 Ca -0.07 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 2otr h LEU 34 Cb 1.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2otr h LEU 34 CO 0.02 1.17 -0.72 0.00 0.09 0.00 0.00 178.44 179.00 2otr h ALA 35 N 0.81 0.76 0.03 1.53 0.00 -1.47 -3.30 119.26 117.63 2otr h ALA 35 Ca -0.05 -0.64 -0.35 0.00 0.00 0.00 0.00 54.91 53.87 2otr h ALA 35 Cb 1.43 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2otr h ALA 35 CO 0.15 0.85 -2.10 0.25 0.00 0.00 0.00 179.25 178.40 2otr n THR 36 N -3.73 1.58 -3.20 0.00 -2.24 -1.21 -5.03 114.28 100.45 2otr n THR 36 Ca -0.02 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 60.92 2otr n THR 36 Cb 0.70 -1.17 0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2otr n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2otr n GLU 37 N -3.14 -2.04 -0.12 -0.78 1.02 0.32 -4.99 120.64 110.91 2otr n GLU 37 Ca -0.30 1.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.60 2otr n GLU 37 Cb 1.06 -5.80 -0.09 0.00 -0.02 0.00 0.00 31.44 26.59 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 -2.90 0.57 0.00 3.49 6.02 -1.24 -4.89 117.38 118.43 2otr n GLN 38 Ca -0.05 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2otr n GLN 38 Cb 0.59 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 -4.35 0.00 -2.21 -1.09 -0.04 -1.26 -4.88 135.00 121.17 2otr n PRO 39 Ca -0.41 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 62.98 2otr n PRO 39 Cb 0.75 -0.44 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 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 -0.48 -0.62 -2.19 1.53 7.99 -1.26 -4.00 117.00 117.97 2otr n LEU 40 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 2otr n LEU 40 Cb 0.00 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 41.73 2otr n LEU 40 CO 0.00 -0.13 -0.49 0.00 -1.51 0.00 0.00 177.39 175.26 2otr n ALA 41 N -1.90 -1.98 -0.31 -1.18 0.00 -1.26 -0.40 120.51 113.49 2otr n ALA 41 Ca -0.08 0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.92 2otr n ALA 41 Cb 0.50 -1.48 0.23 0.00 0.00 0.00 0.00 19.45 18.69 2otr n ALA 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2otr h PRO 42 N 4.45 0.70 0.00 0.00 0.11 -1.95 0.79 132.00 136.10 2otr h PRO 42 Ca 0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2otr h PRO 42 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2otr h PRO 42 CO 0.00 0.46 -0.48 1.57 -0.21 0.00 0.00 178.00 179.34 2otr h LYS 43 N 0.72 0.00 0.00 1.05 -0.00 -1.94 -3.36 116.57 113.04 2otr h LYS 43 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.12 2otr h LYS 43 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.83 2otr h LYS 43 CO -0.33 0.48 -0.14 1.88 -0.00 0.00 0.00 179.45 181.34 2otr h TYR 44 N 0.00 0.00 -4.23 0.07 -1.99 -1.24 -3.51 116.97 106.06 2otr h TYR 44 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2otr h TYR 44 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.80 2otr h TYR 44 CO 0.00 0.00 -0.90 1.63 -0.00 0.00 0.00 178.16 178.89 2otr n LYS 45 N -3.08 -5.15 -0.98 4.88 4.76 0.26 -4.91 118.16 113.93 2otr n LYS 45 Ca -0.02 3.70 -0.33 0.00 -2.87 0.00 0.00 58.31 58.79 2otr n LYS 45 Cb 0.07 -4.11 0.12 0.00 -1.84 0.00 0.00 35.03 29.27 2otr n LYS 45 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2otr n ASP 46 N 1.77 -0.39 -3.49 4.39 5.75 -1.26 -4.99 116.55 118.33 2otr n ASP 46 Ca 0.00 0.49 -0.14 0.00 -0.01 0.00 0.00 54.79 55.13 2otr n ASP 46 Cb 0.00 -1.36 -0.04 0.00 -1.03 0.00 0.00 41.12 38.69 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 -2.24 -0.54 0.80 2.11 -3.43 -1.23 -5.07 115.29 105.69 2otr s HIS 47 Ca 0.66 0.64 -0.13 0.00 -0.80 0.00 0.00 55.06 55.43 2otr s HIS 47 Cb -0.27 0.49 0.20 0.00 -1.43 0.00 0.00 32.58 31.56 2otr s HIS 47 CO 0.58 -0.66 0.74 -0.35 -2.00 0.00 0.00 174.74 173.05 2otr n PRO 48 N 0.24 -2.26 -0.04 -0.38 -0.04 -1.26 -3.42 135.00 127.85 2otr n PRO 48 Ca -0.16 -1.18 -0.08 0.00 -0.04 0.00 0.00 63.50 62.04 2otr n PRO 48 Cb 0.61 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.81 -1.37 1.53 4.32 -1.09 -4.82 117.00 116.37 2otr n LEU 49 Ca 0.10 0.08 0.18 0.00 -0.02 0.00 0.00 56.01 56.35 2otr n LEU 49 Cb 0.39 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.89 2otr n LEU 49 CO 0.27 0.21 -0.44 0.29 -1.22 0.00 0.00 177.39 176.50 2otr n LYS 50 N -3.29 -2.98 -0.12 3.23 5.02 -1.24 -5.01 118.16 113.77 2otr n LYS 50 Ca -0.15 2.24 0.00 0.00 -2.02 0.00 0.00 58.31 58.38 2otr n LYS 50 Cb 0.61 -3.56 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 2otr n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2otr n GLY 51 N -4.23 0.63 0.65 0.72 0.00 -1.26 -4.48 105.19 97.23 2otr n GLY 51 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.05 2.92 2.97 -0.02 0.00 -1.26 -4.95 105.19 104.80 2otr n GLY 52 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 4.64 0.33 0.99 1.43 -1.26 -4.91 118.68 119.90 2otr s LEU 53 Ca 0.00 -3.25 0.17 0.00 -1.03 0.00 0.00 54.13 50.02 2otr s LEU 53 Cb 0.00 -1.69 0.37 0.00 0.03 0.00 0.00 46.19 44.90 2otr s LEU 53 CO 0.00 -0.21 1.58 0.07 0.23 0.00 0.00 176.35 178.02 2otr h LYS 54 N 6.26 0.00 -2.40 1.70 2.10 -1.92 -3.29 116.57 119.02 2otr h LYS 54 Ca 0.00 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.15 2otr h LYS 54 Cb 0.86 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.11 2otr h LYS 54 CO 0.71 0.43 1.51 -0.25 -2.00 0.00 0.00 179.45 179.85 2otr n ASP 55 N -3.34 7.04 -3.65 7.07 8.00 -1.26 -4.77 116.55 125.64 2otr n ASP 55 Ca 0.01 -2.79 -0.05 0.00 0.71 0.00 0.00 54.79 52.67 2otr n ASP 55 Cb 0.63 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.25 2otr n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2otr s PHE 56 N 0.30 -1.07 -0.05 1.24 0.08 -1.25 -4.70 117.98 112.53 2otr s PHE 56 Ca 0.64 1.98 -0.04 0.00 0.12 0.00 0.00 56.93 59.62 2otr s PHE 56 Cb 0.27 0.59 0.01 0.00 -0.57 0.00 0.00 43.02 43.32 2otr s PHE 56 CO -0.08 -0.56 0.12 1.03 -0.10 0.00 0.00 175.22 175.63 2otr s ARG 57 N 2.44 0.14 0.02 0.44 0.52 -1.02 -2.66 118.95 118.83 2otr s ARG 57 Ca -0.06 0.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.41 2otr s ARG 57 Cb -0.10 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.41 2otr s ARG 57 CO -0.17 -0.02 -0.24 -2.00 0.02 0.00 0.00 175.30 172.89 2otr s GLU 58 N 0.08 1.75 0.18 3.54 2.12 -1.22 -1.47 118.70 123.69 2otr s GLU 58 Ca -0.00 -0.99 0.02 0.00 0.36 0.00 0.00 54.97 54.35 2otr s GLU 58 Cb -0.01 -1.84 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 2otr s GLU 58 CO 0.00 0.49 0.07 0.00 -0.54 0.00 0.00 175.26 175.28 2otr s HIS 60 N -2.26 0.30 0.23 0.00 3.76 -1.26 0.33 115.29 116.39 2otr s HIS 60 Ca 0.10 -1.28 -0.08 0.00 -0.15 0.00 0.00 55.06 53.65 2otr s HIS 60 Cb 0.00 -0.71 0.23 0.00 1.11 0.00 0.00 32.58 33.21 2otr s HIS 60 CO 0.07 -0.88 1.90 1.37 -0.85 0.00 0.00 174.74 176.35 2otr h LEU 61 N 7.08 1.00-10.27 0.89 8.10 -1.87 -3.35 115.31 116.88 2otr h LEU 61 Ca 0.05 -0.02 -0.45 0.00 0.11 0.00 0.00 57.88 57.57 2otr h LEU 61 Cb 1.00 -0.24 -0.00 0.00 -0.44 0.00 0.00 40.66 40.98 2otr h LEU 61 CO 0.24 0.71 -0.35 -0.54 -4.11 0.00 0.00 178.44 174.39 2otr s LYS 62 N -6.12 2.97 0.11 0.17 1.02 -1.26 -4.76 119.74 111.88 2otr s LYS 62 Ca -0.13 -1.13 0.17 0.00 0.02 0.00 0.00 55.97 54.91 2otr s LYS 62 Cb 0.17 -2.72 0.73 0.00 -0.52 0.00 0.00 37.83 35.49 2otr s LYS 62 CO 0.80 0.01 1.53 -0.35 -0.92 0.00 0.00 175.35 176.43 2otr n PRO 63 N -1.61 0.08 -2.69 -1.68 -0.04 -1.26 -3.35 135.00 124.44 2otr n PRO 63 Ca 0.01 0.34 -0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2otr n PRO 63 Cb 0.59 -1.65 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.80 0.55 -3.66 3.54 -0.08 -1.26 -5.09 116.55 108.75 2otr n ASP 64 Ca 0.03 -2.54 -0.09 0.00 -1.51 0.00 0.00 54.79 50.67 2otr n ASP 64 Cb 0.18 -0.11 -0.08 0.00 2.34 0.00 0.00 41.12 43.44 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 -3.28 -0.54 0.58 -2.67 1.02 -1.21 -4.54 118.68 108.04 2otr s LEU 65 Ca 0.25 1.26 0.08 0.00 0.02 0.00 0.00 54.13 55.74 2otr s LEU 65 Cb 0.43 2.00 0.09 0.00 0.02 0.00 0.00 46.19 48.72 2otr s LEU 65 CO -0.01 -0.22 0.80 -0.76 0.02 0.00 0.00 176.35 176.18 2otr s LEU 66 N 1.28 3.13 -0.30 1.79 1.02 0.11 -3.63 118.68 122.08 2otr s LEU 66 Ca -0.08 -0.76 -0.01 0.00 0.02 0.00 0.00 54.13 53.30 2otr s LEU 66 Cb -0.06 -1.75 0.19 0.00 0.02 0.00 0.00 46.19 44.59 2otr s LEU 66 CO -0.13 -1.36 0.79 -0.22 0.02 0.00 0.00 176.35 175.44 2otr s LEU 67 N -4.70 -1.11 0.00 1.79 0.20 0.15 -2.81 118.68 112.20 2otr s LEU 67 Ca 0.62 0.07 -0.19 0.00 0.69 0.00 0.00 54.13 55.32 2otr s LEU 67 Cb -0.06 1.68 -0.06 0.00 -0.43 0.00 0.00 46.19 47.32 2otr s LEU 67 CO 0.39 -0.20 0.55 -0.69 -0.29 0.00 0.00 176.35 176.11 2otr s VAL 68 N 2.80 4.92 0.25 1.68 1.01 -0.36 -0.98 120.40 129.71 2otr s VAL 68 Ca 0.17 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 2otr s VAL 68 Cb -0.06 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2otr s VAL 68 CO -0.23 0.47 0.51 -0.72 0.00 0.00 0.00 175.10 175.12 2otr s TYR 69 N -0.46 0.27 -0.03 5.22 1.13 -0.54 0.15 117.35 123.08 2otr s TYR 69 Ca 0.29 -0.64 -0.01 0.00 -1.41 0.00 0.00 57.07 55.29 2otr s TYR 69 Cb -0.18 0.27 0.03 0.00 -1.10 0.00 0.00 41.96 40.98 2otr s TYR 69 CO 0.16 -1.02 0.05 -1.14 -2.51 0.00 0.00 175.55 171.09 2otr s GLN 70 N -4.00 -0.07 0.35 -3.49 -0.44 0.92 -2.43 119.66 110.50 2otr s GLN 70 Ca 0.20 0.31 -0.16 0.00 -2.50 0.00 0.00 55.36 53.22 2otr s GLN 70 Cb -0.01 -0.42 -0.09 0.00 -1.64 0.00 0.00 33.01 30.85 2otr s GLN 70 CO 0.08 -0.27 0.77 0.42 0.50 0.00 0.00 175.29 176.79 2otr s ILE 71 N 1.78 4.64 -0.43 -2.34 -1.09 -1.26 -2.63 121.20 119.87 2otr s ILE 71 Ca -0.00 1.02 0.02 0.00 -2.23 0.00 0.00 60.65 59.46 2otr s ILE 71 Cb -0.12 -3.61 0.15 0.00 -1.58 0.00 0.00 42.46 37.29 2otr s ILE 71 CO -0.03 -0.23 0.27 -1.59 -1.23 0.00 0.00 174.94 172.13 2otr s LYS 72 N -3.07 1.05 0.65 2.79 0.00 -1.00 -4.96 119.74 115.20 2otr s LYS 72 Ca 0.55 -1.91 0.38 0.00 0.00 0.00 0.00 55.97 55.00 2otr s LYS 72 Cb -0.10 -1.88 2.11 0.00 0.00 0.00 0.00 37.83 37.95 2otr s LYS 72 CO 0.18 -1.24 2.23 1.57 0.00 0.00 0.00 175.35 178.09 2otr h LYS 73 N 6.49 0.00 -0.93 1.78 2.10 -1.96 -0.24 116.57 123.81 2otr h LYS 73 Ca 0.08 0.00 0.26 0.00 -2.00 0.00 0.00 60.65 58.99 2otr h LYS 73 Cb 0.92 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.21 2otr h LYS 73 CO 0.40 0.00 0.65 -0.56 -2.00 0.00 0.00 179.45 177.95 2otr h GLN 74 N 0.00 0.10 0.00 0.07 3.07 -1.97 -2.90 115.11 113.48 2otr h GLN 74 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2otr h GLN 74 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2otr h GLN 74 CO -0.00 0.06 -0.30 -0.85 0.09 0.00 0.00 178.83 177.83 2otr n GLU 75 N -4.33 0.00 -3.46 0.06 0.28 -0.77 -5.06 120.64 107.36 2otr n GLU 75 Ca 0.20 -0.70 -0.17 0.00 -0.16 0.00 0.00 57.16 56.32 2otr n GLU 75 Cb 0.93 -0.40 0.01 0.00 1.43 0.00 0.00 31.44 33.41 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 -6.08 -3.97 -1.84 2.85 -0.17 -4.87 115.26 101.18 2otr n ASN 76 Ca 0.00 -0.48 -0.12 0.00 -0.11 0.00 0.00 54.58 53.87 2otr n ASN 76 Cb 0.62 -3.09 -0.12 0.00 1.24 0.00 0.00 39.78 38.43 2otr n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2otr s THR 77 N -2.79 0.25 -0.61 -0.44 2.01 -1.12 -2.80 115.64 110.14 2otr s THR 77 Ca 0.06 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.35 2otr s THR 77 Cb -0.01 -0.31 0.16 0.00 0.01 0.00 0.00 72.50 72.35 2otr s THR 77 CO 0.84 -0.24 0.51 -0.22 -0.69 0.00 0.00 174.62 174.82 2otr s LEU 78 N -0.90 5.97 -0.34 4.42 0.20 0.13 -2.38 118.68 125.78 2otr s LEU 78 Ca -0.07 -2.32 -0.19 0.00 0.69 0.00 0.00 54.13 52.23 2otr s LEU 78 Cb -0.06 -2.06 -0.00 0.00 -0.43 0.00 0.00 46.19 43.63 2otr s LEU 78 CO -0.00 -0.61 0.57 0.12 -0.29 0.00 0.00 176.35 176.13 2otr s PHE 79 N 0.75 3.18 0.85 5.38 5.36 -1.08 0.55 117.98 132.97 2otr s PHE 79 Ca 0.11 0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 56.30 2otr s PHE 79 Cb -0.21 -2.98 0.10 0.00 -0.34 0.00 0.00 43.02 39.59 2otr s PHE 79 CO -0.03 -0.53 1.13 -0.51 -1.46 0.00 0.00 175.22 173.82 2otr s LEU 80 N 2.52 2.31 0.02 6.12 1.43 -0.79 -0.05 118.68 130.24 2otr s LEU 80 Ca 0.22 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2otr s LEU 80 Cb -0.15 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2otr s LEU 80 CO 0.13 -2.21 0.00 0.52 0.23 0.00 0.00 176.35 175.02 2otr n VAL 81 N -3.55 0.05 -4.41 -1.59 0.31 0.39 -4.09 118.33 105.44 2otr n VAL 81 Ca 0.07 0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 2otr n VAL 81 Cb 0.59 -0.46 -0.10 0.00 -0.91 0.00 0.00 33.84 32.95 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 -1.11 1.53 -0.29 5.55 3.52 -0.55 -3.26 118.95 124.34 2otr s ARG 82 Ca 0.00 -1.81 -0.20 0.00 -0.13 0.00 0.00 55.73 53.59 2otr s ARG 82 Cb 0.00 -0.89 0.16 0.00 -1.56 0.00 0.00 34.95 32.66 2otr s ARG 82 CO 0.00 -0.09 1.12 -1.17 -0.81 0.00 0.00 175.30 174.35 2otr s LEU 83 N -3.42 -0.35 0.00 -0.88 0.20 -1.26 -1.22 118.68 111.75 2otr s LEU 83 Ca 0.32 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.74 2otr s LEU 83 Cb 0.06 1.58 0.00 0.00 -0.43 0.00 0.00 46.19 47.40 2otr s LEU 83 CO 0.12 -0.10 0.00 0.61 -0.29 0.00 0.00 176.35 176.69 2otr n GLY 84 N 2.80 0.52 3.05 7.98 0.00 -1.12 -4.58 105.19 113.83 2otr n GLY 84 Ca -0.15 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 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 0.73 0.20 1.61 0.15 -1.26 0.07 113.70 111.20 2otr s SER 85 Ca 0.00 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 55.99 2otr s SER 85 Cb 0.00 0.05 0.12 0.00 -1.71 0.00 0.00 66.02 64.48 2otr s SER 85 CO 0.00 -0.23 1.87 -0.74 1.20 0.00 0.00 173.24 175.34 2otr h HIS 86 N 4.51 0.84 -0.10 3.44 2.76 -1.94 0.84 115.15 125.50 2otr h HIS 86 Ca -0.35 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 57.71 2otr h HIS 86 Cb 1.20 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 2otr h HIS 86 CO 0.65 0.53 -0.53 0.66 -1.30 0.00 0.00 177.93 177.94 2otr h SER 87 N 0.91 0.30 0.35 3.26 4.64 -1.97 -1.21 113.55 119.83 2otr h SER 87 Ca 0.25 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2otr h SER 87 Cb -0.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2otr h SER 87 CO -0.05 0.77 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.43 2otr h GLU 88 N 0.21 -0.46 -0.86 4.77 4.57 -1.82 -3.25 114.58 117.75 2otr h GLU 88 Ca 0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2otr h GLU 88 Cb 1.00 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 2otr h GLU 88 CO 0.08 -0.14 0.51 -0.07 -1.18 0.00 0.00 179.01 178.21 2otr h LEU 89 N -0.95 1.03 -1.15 1.64 4.07 -0.92 -3.49 115.31 115.54 2otr h LEU 89 Ca -0.05 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2otr h LEU 89 Cb 0.53 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2otr h LEU 89 CO 0.08 0.79 0.00 0.49 -1.08 0.00 0.00 178.44 178.72