#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 1.56 0.00 -0.89 1.02 -1.26 -4.85 118.68 114.26 2otr s LEU 2 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 54.13 53.53 2otr s LEU 2 Cb 0.00 0.80 0.29 0.00 0.02 0.00 0.00 46.19 47.29 2otr s LEU 2 CO 0.00 -0.53 0.64 0.41 0.02 0.00 0.00 176.35 176.89 2otr n THR 3 N 0.74 0.00 -3.77 5.49 -1.04 -1.12 -4.44 114.28 110.14 2otr n THR 3 Ca -0.19 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 2otr n THR 3 Cb 0.59 -0.73 -0.16 0.00 -1.82 0.00 0.00 70.33 68.20 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 -1.81 0.81 0.38 12.58 1.09 -1.26 -0.42 121.20 132.57 2otr s ILE 4 Ca 0.50 -0.91 0.08 0.00 -1.10 0.00 0.00 60.65 59.21 2otr s ILE 4 Cb -0.09 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 39.94 2otr s ILE 4 CO 0.42 -0.31 0.37 -1.61 -0.10 0.00 0.00 174.94 173.71 2otr s GLU 5 N 1.70 2.69 0.08 2.79 0.41 0.47 -4.98 118.70 121.86 2otr s GLU 5 Ca 0.01 -1.36 0.02 0.00 -0.41 0.00 0.00 54.97 53.22 2otr s GLU 5 Cb -0.17 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.64 2otr s GLU 5 CO -0.12 -0.07 -0.07 0.95 -0.49 0.00 0.00 175.26 175.46 2otr s THR 6 N -2.37 0.65 0.36 3.63 -4.23 -1.26 -1.91 115.64 110.52 2otr s THR 6 Ca 0.46 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2otr s THR 6 Cb -0.05 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.37 2otr s THR 6 CO 0.28 -0.76 0.17 -1.54 -0.54 0.00 0.00 174.62 172.23 2otr n SER 7 N 0.31 2.49 0.17 3.99 3.41 -1.26 -4.89 113.62 117.85 2otr n SER 7 Ca -0.15 -2.38 -0.10 0.00 -0.26 0.00 0.00 58.87 55.99 2otr n SER 7 Cb 0.59 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.49 -0.19 4.33 1.79 -1.95 -3.20 116.57 116.86 2otr h LYS 8 Ca -0.26 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.29 2otr h LYS 8 Cb 0.87 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2otr h LYS 8 CO 0.41 -0.24 0.14 0.87 -1.08 0.00 0.00 179.45 179.55 2otr h LYS 9 N -1.07 0.04 -0.46 3.15 1.57 -1.98 -0.91 116.57 116.92 2otr h LYS 9 Ca -0.05 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2otr h LYS 9 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2otr h LYS 9 CO 0.09 0.03 0.31 0.35 -0.57 0.00 0.00 179.45 179.65 2otr h PHE 10 N 0.05 0.46 -0.40 -1.35 3.57 -1.57 -0.57 116.94 117.13 2otr h PHE 10 Ca 0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2otr h PHE 10 Cb 0.30 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2otr h PHE 10 CO -0.00 0.27 -0.04 0.22 -2.23 0.00 0.00 178.31 176.53 2otr h ASP 11 N 0.48 0.72 1.43 0.41 1.82 -1.15 -0.75 116.42 119.38 2otr h ASP 11 Ca 0.19 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2otr h ASP 11 Cb 0.16 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 2otr h ASP 11 CO -0.05 0.88 -0.01 0.11 -1.61 0.00 0.00 179.24 178.56 2otr h LYS 12 N 0.55 0.00 0.00 0.28 1.57 -1.40 -1.90 116.57 115.67 2otr h LYS 12 Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 2otr h LYS 12 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2otr h LYS 12 CO 0.03 0.01 -1.23 -0.44 -0.57 0.00 0.00 179.45 177.24 2otr h ASP 13 N 0.00 0.00 0.35 0.86 3.32 -0.85 -3.34 116.42 116.77 2otr h ASP 13 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2otr h ASP 13 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2otr h ASP 13 CO 0.00 0.73 -1.66 0.25 -1.72 0.00 0.00 179.24 176.84 2otr h LEU 14 N 0.00 0.41 -2.07 1.55 7.12 -1.04 -3.28 115.31 118.00 2otr h LEU 14 Ca -0.13 -0.64 0.04 0.00 0.13 0.00 0.00 57.88 57.28 2otr h LEU 14 Cb 1.68 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 2otr h LEU 14 CO 0.07 1.54 0.10 0.07 -0.13 0.00 0.00 178.44 180.10 2otr h LYS 15 N 0.07 0.00 0.00 1.25 2.10 -1.49 0.26 116.57 118.75 2otr h LYS 15 Ca -0.29 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.15 2otr h LYS 15 Cb 2.04 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.34 2otr h LYS 15 CO 0.15 0.00 -1.02 0.82 -2.00 0.00 0.00 179.45 177.40 2otr h ILE 16 N 0.00 1.46 0.23 0.07 1.08 -1.68 -3.27 117.51 115.41 2otr h ILE 16 Ca 0.06 -3.13 -0.34 0.00 -0.39 0.00 0.00 64.86 61.06 2otr h ILE 16 Cb 0.27 2.72 0.03 0.00 -3.07 0.00 0.00 36.82 36.77 2otr h ILE 16 CO -0.00 0.83 -1.59 -0.07 -0.69 0.00 0.00 178.15 176.63 2otr h LEU 17 N 0.00 0.76 -1.96 1.44 3.38 -1.23 -2.99 115.31 114.71 2otr h LEU 17 Ca -0.05 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.05 2otr h LEU 17 Cb 1.74 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2otr h LEU 17 CO 0.11 1.74 0.15 1.62 0.09 0.00 0.00 178.44 182.16 2otr h VAL 18 N 0.13 0.92 0.00 1.22 3.04 -0.68 -1.00 116.25 119.88 2otr h VAL 18 Ca -0.29 -0.02 -0.22 0.00 -1.01 0.00 0.00 66.70 65.15 2otr h VAL 18 Cb 2.15 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 32.25 2otr h VAL 18 CO 0.24 0.01 -1.25 0.50 -1.01 0.00 0.00 177.57 176.06 2otr h LYS 19 N 0.06 0.00 -1.01 4.17 3.11 -1.64 -3.32 116.57 117.94 2otr h LYS 19 Ca 0.10 0.00 -0.50 0.00 -2.81 0.00 0.00 60.65 57.44 2otr h LYS 19 Cb 0.33 0.00 -0.28 0.00 -1.00 0.00 0.00 32.23 31.28 2otr h LYS 19 CO -0.01 0.68 0.63 0.09 -2.81 0.00 0.00 179.45 178.04 2otr n ASN 20 N -3.17 4.15 -1.03 4.20 5.03 -0.46 -4.91 115.26 119.07 2otr n ASN 20 Ca -0.07 -3.51 0.00 0.00 0.87 0.00 0.00 54.58 51.87 2otr n ASN 20 Cb 0.95 -0.83 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 2otr n ASN 20 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2otr n GLY 21 N -0.99 -2.01 2.92 7.41 0.00 -0.76 -4.97 105.19 106.79 2otr n GLY 21 Ca 0.56 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.41 0.94 1.61 2.19 -1.04 -4.76 117.98 116.52 2otr s PHE 22 Ca 0.00 0.13 -0.12 0.00 0.33 0.00 0.00 56.93 57.27 2otr s PHE 22 Cb 0.00 0.07 0.16 0.00 -1.31 0.00 0.00 43.02 41.94 2otr s PHE 22 CO 0.00 -0.26 1.09 0.34 1.83 0.00 0.00 175.22 178.22 2otr s ASP 23 N 2.34 3.07 -0.08 6.13 -1.08 -1.26 -4.02 116.67 121.77 2otr s ASP 23 Ca 0.20 1.35 0.12 0.00 -0.52 0.00 0.00 52.55 53.69 2otr s ASP 23 Cb 0.01 -2.02 -0.24 0.00 -1.46 0.00 0.00 42.92 39.22 2otr s ASP 23 CO -0.18 -2.87 0.52 0.18 0.52 0.00 0.00 175.17 173.34 2otr n LEU 24 N -4.02 0.91 -0.04 -1.34 4.32 -1.26 -4.12 117.00 111.45 2otr n LEU 24 Ca 0.06 0.32 0.04 0.00 -0.02 0.00 0.00 56.01 56.40 2otr n LEU 24 Cb 0.56 0.10 0.40 0.00 -1.62 0.00 0.00 43.42 42.86 2otr n LEU 24 CO 0.56 0.46 1.18 0.11 -1.22 0.00 0.00 177.39 178.48 2otr h LYS 25 N 0.01 0.61 -0.55 3.23 1.57 -2.00 -1.63 116.57 117.81 2otr h LYS 25 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2otr h LYS 25 Cb 2.06 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.20 2otr h LYS 25 CO 0.07 0.40 0.36 1.37 -0.57 0.00 0.00 179.45 181.08 2otr h LEU 26 N 0.63 0.64 -1.24 2.94 8.10 -1.98 -0.70 115.31 123.69 2otr h LEU 26 Ca 0.18 -0.02 -0.08 0.00 0.11 0.00 0.00 57.88 58.07 2otr h LEU 26 Cb -0.05 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.00 2otr h LEU 26 CO -0.04 0.47 -0.38 0.25 -4.11 0.00 0.00 178.44 174.63 2otr h LEU 27 N 0.75 0.00 0.00 0.17 6.46 -1.49 0.46 115.31 121.66 2otr h LEU 27 Ca 0.20 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.76 2otr h LEU 27 Cb -0.08 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 2otr h LEU 27 CO -0.04 0.38 -1.05 1.88 -0.62 0.00 0.00 178.44 178.98 2otr h TYR 28 N 0.00 0.00 0.05 1.25 0.05 -1.17 -3.22 116.97 113.93 2otr h TYR 28 Ca -0.00 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.48 2otr h TYR 28 Cb 0.68 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 2otr h TYR 28 CO 0.00 0.88 -1.60 -0.22 -1.05 0.00 0.00 178.16 176.17 2otr h LYS 29 N 0.00 0.10 0.00 4.88 3.64 -0.89 -3.32 116.57 120.98 2otr h LYS 29 Ca -0.06 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2otr h LYS 29 Cb 1.73 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.61 2otr h LYS 29 CO 0.10 0.82 -0.05 -0.24 -2.27 0.00 0.00 179.45 177.81 2otr h VAL 30 N 0.03 0.17 -1.07 2.00 3.04 -0.19 -3.03 116.25 117.20 2otr h VAL 30 Ca -0.25 -0.55 0.31 0.00 -1.01 0.00 0.00 66.70 65.20 2otr h VAL 30 Cb 1.98 1.46 -0.04 0.00 -2.01 0.00 0.00 31.29 32.68 2otr h VAL 30 CO 0.11 0.05 0.81 1.62 -1.01 0.00 0.00 177.57 179.16 2otr h VAL 31 N 0.00 0.39 0.00 1.51 3.04 -1.66 0.66 116.25 120.20 2otr h VAL 31 Ca -0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 2otr h VAL 31 Cb 0.45 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 2otr h VAL 31 CO 0.01 0.00 -0.42 1.23 -1.01 0.00 0.00 177.57 177.38 2otr h GLY 32 N 0.00 0.00 1.00 3.17 0.00 -1.79 -2.93 103.07 102.52 2otr h GLY 32 Ca 0.51 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.65 2otr h GLY 32 CO -0.01 0.00 -1.47 3.43 0.00 0.00 0.00 176.54 178.50 2otr h ASN 33 N 0.00 0.00 -0.55 0.19 4.21 0.06 -3.27 115.58 116.22 2otr h ASN 33 Ca -0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 2otr h ASN 33 Cb 0.78 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.95 2otr h ASN 33 CO 0.05 0.67 0.18 -0.07 -1.29 0.00 0.00 177.43 176.98 2otr h LEU 34 N 0.00 0.80 -0.49 1.61 3.38 -1.11 0.81 115.31 120.31 2otr h LEU 34 Ca -0.19 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.41 2otr h LEU 34 Cb 1.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2otr h LEU 34 CO 0.05 0.79 -0.59 0.00 0.09 0.00 0.00 178.44 178.78 2otr h ALA 35 N 1.04 0.67 0.02 1.53 0.00 -1.67 -3.27 119.26 117.57 2otr h ALA 35 Ca 0.18 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2otr h ALA 35 Cb 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2otr h ALA 35 CO -0.01 0.70 -0.38 1.79 0.00 0.00 0.00 179.25 181.35 2otr h THR 36 N 0.39 1.53 -5.72 0.00 1.35 -1.56 -3.47 112.91 105.44 2otr h THR 36 Ca -0.00 -2.08 -0.35 0.00 -0.55 0.00 0.00 66.41 63.43 2otr h THR 36 Cb 1.14 2.83 0.15 0.00 -1.73 0.00 0.00 68.15 70.55 2otr h THR 36 CO 0.11 0.58 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.57 2otr n GLU 37 N -4.40 -6.60 -0.10 4.72 1.02 0.28 -4.96 120.64 110.61 2otr n GLU 37 Ca -0.10 0.82 -0.19 0.00 -0.02 0.00 0.00 57.16 57.67 2otr n GLU 37 Cb 0.58 -5.80 -0.09 0.00 -0.02 0.00 0.00 31.44 26.11 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 -4.24 0.54 0.00 3.49 6.02 -1.26 -4.89 117.38 117.04 2otr n GLN 38 Ca -0.26 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2otr n GLN 38 Cb 0.66 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 -4.47 0.00 -2.32 -1.09 -0.04 -1.26 -4.90 135.00 120.92 2otr n PRO 39 Ca -0.28 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.04 2otr n PRO 39 Cb 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.05 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 -1.32 -1.16 1.53 4.77 -1.26 -4.46 117.00 115.10 2otr n LEU 40 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2otr n LEU 40 Cb 0.00 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 2otr n LEU 40 CO 0.00 -0.22 -0.33 0.00 -1.33 0.00 0.00 177.39 175.51 2otr n ALA 41 N -1.87 -1.81 -0.07 -1.18 0.00 -1.25 -3.06 120.51 111.27 2otr n ALA 41 Ca -0.17 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 2otr n ALA 41 Cb 0.62 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 1.12 0.83 -0.86 0.00 0.13 -1.96 -0.46 132.00 130.81 2otr h PRO 42 Ca 0.00 -0.53 0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2otr h PRO 42 Cb 0.05 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 31.16 2otr h PRO 42 CO 0.00 1.16 0.49 1.57 -0.23 0.00 0.00 178.00 180.99 2otr h LYS 43 N 0.60 0.74 -1.51 0.86 2.10 -1.96 -3.32 116.57 114.08 2otr h LYS 43 Ca 0.01 -0.04 -0.45 0.00 -2.00 0.00 0.00 60.65 58.16 2otr h LYS 43 Cb 1.13 -0.17 -0.31 0.00 -0.90 0.00 0.00 32.23 31.98 2otr h LYS 43 CO 0.12 0.49 -0.90 2.48 -2.00 0.00 0.00 179.45 179.64 2otr n TYR 44 N -4.77 -1.42 0.00 0.07 0.18 -1.22 -5.04 117.16 104.97 2otr n TYR 44 Ca 0.16 -2.93 0.00 0.00 1.88 0.00 0.00 57.90 57.00 2otr n TYR 44 Cb 0.34 0.33 0.00 0.00 -0.38 0.00 0.00 39.34 39.63 2otr n TYR 44 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2otr n LYS 45 N 1.79 0.00 -3.65 -3.48 5.02 -0.18 -3.51 118.16 114.15 2otr n LYS 45 Ca 0.19 0.13 -0.03 0.00 -2.02 0.00 0.00 58.31 56.58 2otr n LYS 45 Cb 0.55 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 34.45 2otr n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2otr s ASP 46 N -2.17 -0.06 -0.04 4.39 2.15 -1.26 -3.26 116.67 116.42 2otr s ASP 46 Ca 0.00 0.11 -0.09 0.00 0.43 0.00 0.00 52.55 53.00 2otr s ASP 46 Cb 0.00 0.12 0.02 0.00 -0.30 0.00 0.00 42.92 42.75 2otr s ASP 46 CO 0.00 -0.02 0.22 -1.38 -0.17 0.00 0.00 175.17 173.82 2otr s HIS 47 N 0.00 -0.15 1.06 -5.34 -3.43 -1.24 -5.07 115.29 101.12 2otr s HIS 47 Ca 0.07 0.31 -0.17 0.00 -0.80 0.00 0.00 55.06 54.48 2otr s HIS 47 Cb -0.05 0.05 0.23 0.00 -1.43 0.00 0.00 32.58 31.37 2otr s HIS 47 CO -0.15 -0.23 1.20 -1.25 -2.00 0.00 0.00 174.74 172.31 2otr s PRO 48 N -0.65 -0.07 0.30 -0.38 0.04 -1.26 -4.09 135.00 128.89 2otr s PRO 48 Ca -0.07 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 60.82 2otr s PRO 48 Cb -0.04 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.76 2otr s PRO 48 CO 0.01 -2.93 0.05 1.28 0.04 0.00 0.00 177.00 175.46 2otr n LEU 49 N -4.19 0.00 -3.76 -3.56 4.77 -1.25 -5.00 117.00 104.01 2otr n LEU 49 Ca 0.13 -1.82 -0.09 0.00 -0.03 0.00 0.00 56.01 54.21 2otr n LEU 49 Cb 0.59 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 2otr n LEU 49 CO 0.47 -0.30 0.41 -0.54 -1.33 0.00 0.00 177.39 176.09 2otr s LYS 50 N -3.12 1.61 0.00 3.23 1.02 -1.26 -4.61 119.74 116.60 2otr s LYS 50 Ca 0.04 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.15 2otr s LYS 50 Cb -0.00 0.58 0.00 0.00 -0.52 0.00 0.00 37.83 37.89 2otr s LYS 50 CO 0.03 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 2otr n GLY 51 N -0.42 3.38 0.00 -3.33 0.00 -1.26 -4.80 105.19 98.76 2otr n GLY 51 Ca -0.07 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 1.90 -0.02 0.00 -1.26 -5.06 105.19 100.75 2otr n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2otr n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otr n LEU 53 N 0.00 -0.03 -2.70 0.99 4.32 -1.26 -5.04 117.00 113.28 2otr n LEU 53 Ca 0.00 0.26 -0.21 0.00 -0.02 0.00 0.00 56.01 56.05 2otr n LEU 53 Cb 0.00 0.20 0.02 0.00 -1.62 0.00 0.00 43.42 42.02 2otr n LEU 53 CO 0.00 -0.67 -0.07 0.29 -1.22 0.00 0.00 177.39 175.72 2otr n LYS 54 N -3.06 -3.81 0.00 3.23 5.02 -1.26 -4.80 118.16 113.48 2otr n LYS 54 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2otr n LYS 54 Cb 0.00 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.39 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 -2.16 0.16 -4.73 4.39 8.00 -1.26 -5.04 116.55 115.91 2otr n ASP 55 Ca -0.15 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.99 2otr n ASP 55 Cb 0.63 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.81 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 -1.61 2.03 -0.21 1.24 0.08 -1.26 -3.94 117.98 114.31 2otr s PHE 56 Ca 0.00 1.51 -0.27 0.00 0.12 0.00 0.00 56.93 58.30 2otr s PHE 56 Cb 0.00 -3.66 0.08 0.00 -0.57 0.00 0.00 43.02 38.87 2otr s PHE 56 CO 0.00 -2.92 0.78 1.03 -0.10 0.00 0.00 175.22 174.01 2otr s ARG 57 N -3.50 0.82 -0.01 0.44 0.52 -0.46 -3.95 118.95 112.81 2otr s ARG 57 Ca 0.81 0.71 0.06 0.00 -0.52 0.00 0.00 55.73 56.79 2otr s ARG 57 Cb -0.36 0.39 -0.01 0.00 0.52 0.00 0.00 34.95 35.49 2otr s ARG 57 CO 0.41 -0.15 -0.18 -2.00 0.02 0.00 0.00 175.30 173.40 2otr s GLU 58 N -0.10 1.48 0.08 3.54 -6.30 -1.26 -0.77 118.70 115.37 2otr s GLU 58 Ca -0.02 -0.67 -0.06 0.00 -2.50 0.00 0.00 54.97 51.72 2otr s GLU 58 Cb -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 34.13 32.64 2otr s GLU 58 CO 0.02 0.39 0.11 0.00 0.02 0.00 0.00 175.26 175.80 2otr s HIS 60 N -3.89 3.89 0.43 0.00 3.76 -1.20 0.69 115.29 118.97 2otr s HIS 60 Ca 0.06 -2.87 0.09 0.00 -0.15 0.00 0.00 55.06 52.20 2otr s HIS 60 Cb 0.06 -3.38 0.95 0.00 1.11 0.00 0.00 32.58 31.32 2otr s HIS 60 CO -0.10 -0.80 2.07 1.37 -0.85 0.00 0.00 174.74 176.43 2otr h LEU 61 N 6.36 0.37-10.03 0.89 8.10 -1.82 -3.31 115.31 115.86 2otr h LEU 61 Ca 0.14 -0.01 -0.54 0.00 0.11 0.00 0.00 57.88 57.58 2otr h LEU 61 Cb 0.85 -0.09 -0.06 0.00 -0.44 0.00 0.00 40.66 40.92 2otr h LEU 61 CO 0.86 0.27 -0.44 -0.54 -4.11 0.00 0.00 178.44 174.48 2otr s LYS 62 N -5.41 2.36 0.00 0.17 1.02 -1.26 -4.74 119.74 111.88 2otr s LYS 62 Ca -0.08 -1.72 0.12 0.00 0.02 0.00 0.00 55.97 54.32 2otr s LYS 62 Cb 0.17 -2.16 0.56 0.00 -0.52 0.00 0.00 37.83 35.89 2otr s LYS 62 CO 0.72 -0.17 1.37 -0.35 -0.92 0.00 0.00 175.35 176.00 2otr n PRO 63 N -1.39 0.06 -2.76 -1.68 -0.04 -1.26 -3.74 135.00 124.19 2otr n PRO 63 Ca 0.01 0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2otr n PRO 63 Cb 0.63 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.43 -2.06 -3.71 3.54 -0.08 -1.26 -5.14 116.55 106.42 2otr n ASP 64 Ca 0.04 -3.52 -0.14 0.00 -1.51 0.00 0.00 54.79 49.66 2otr n ASP 64 Cb 0.13 1.65 -0.08 0.00 2.34 0.00 0.00 41.12 45.16 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 -2.39 0.53 -0.29 -2.67 1.02 -1.25 -4.15 118.68 109.48 2otr s LEU 65 Ca 0.23 0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.58 2otr s LEU 65 Cb 0.31 1.56 0.07 0.00 0.02 0.00 0.00 46.19 48.15 2otr s LEU 65 CO -0.06 -0.51 -0.04 -0.76 0.02 0.00 0.00 176.35 175.00 2otr s LEU 66 N -1.43 3.94 -0.66 1.79 1.02 0.25 -4.19 118.68 119.40 2otr s LEU 66 Ca -0.12 -1.63 -0.17 0.00 0.02 0.00 0.00 54.13 52.23 2otr s LEU 66 Cb -0.03 -1.60 0.13 0.00 0.02 0.00 0.00 46.19 44.71 2otr s LEU 66 CO 0.04 -0.26 0.71 -0.22 0.02 0.00 0.00 176.35 176.64 2otr s LEU 67 N 1.06 5.77 -0.22 1.79 2.96 0.22 -2.43 118.68 127.83 2otr s LEU 67 Ca -0.02 -1.79 -0.15 0.00 -0.22 0.00 0.00 54.13 51.94 2otr s LEU 67 Cb -0.20 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2otr s LEU 67 CO -0.05 -0.96 0.39 -0.69 -1.32 0.00 0.00 176.35 173.71 2otr s VAL 68 N 2.01 5.19 0.31 1.68 1.01 -0.96 -1.60 120.40 128.04 2otr s VAL 68 Ca 0.13 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.82 2otr s VAL 68 Cb -0.21 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2otr s VAL 68 CO 0.01 0.22 0.27 -0.72 0.00 0.00 0.00 175.10 174.89 2otr s TYR 69 N 1.53 1.60 -0.23 5.22 -0.85 0.05 0.17 117.35 124.84 2otr s TYR 69 Ca 0.18 -1.58 -0.03 0.00 -0.52 0.00 0.00 57.07 55.11 2otr s TYR 69 Cb -0.15 -0.63 0.10 0.00 0.38 0.00 0.00 41.96 41.66 2otr s TYR 69 CO 0.08 -0.86 0.20 -1.14 -1.52 0.00 0.00 175.55 172.31 2otr s GLN 70 N -3.52 0.19 0.11 -3.49 0.74 0.29 -1.35 119.66 112.62 2otr s GLN 70 Ca 0.40 -0.03 -0.24 0.00 0.05 0.00 0.00 55.36 55.53 2otr s GLN 70 Cb 0.03 -1.20 -0.07 0.00 1.10 0.00 0.00 33.01 32.87 2otr s GLN 70 CO 0.25 -0.79 0.75 0.42 -0.55 0.00 0.00 175.29 175.36 2otr s ILE 71 N 2.26 4.55 -0.35 -2.34 1.09 -1.25 -2.65 121.20 122.51 2otr s ILE 71 Ca 0.07 1.62 0.02 0.00 -1.10 0.00 0.00 60.65 61.25 2otr s ILE 71 Cb -0.15 -4.10 0.09 0.00 -1.06 0.00 0.00 42.46 37.24 2otr s ILE 71 CO -0.20 0.47 0.07 -1.59 -0.10 0.00 0.00 174.94 173.59 2otr s LYS 72 N -0.71 1.75 0.66 2.79 0.00 -0.84 -4.92 119.74 118.46 2otr s LYS 72 Ca 0.36 -1.77 0.43 0.00 0.00 0.00 0.00 55.97 54.99 2otr s LYS 72 Cb -0.22 -3.26 2.35 0.00 0.00 0.00 0.00 37.83 36.70 2otr s LYS 72 CO 0.24 -0.91 2.36 1.57 0.00 0.00 0.00 175.35 178.61 2otr h LYS 73 N 7.76 0.00 -0.71 1.78 2.10 -1.96 0.27 116.57 125.82 2otr h LYS 73 Ca -0.09 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 58.74 2otr h LYS 73 Cb 1.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.32 2otr h LYS 73 CO 0.56 0.00 0.49 -0.56 -2.00 0.00 0.00 179.45 177.94 2otr h GLN 74 N 0.00 0.18 0.00 0.07 3.07 -1.98 -3.13 115.11 113.32 2otr h GLN 74 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2otr h GLN 74 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2otr h GLN 74 CO 0.00 0.12 -0.26 -0.85 0.09 0.00 0.00 178.83 177.93 2otr n GLU 75 N -4.41 0.00 -3.43 0.06 0.28 -0.82 -5.06 120.64 107.25 2otr n GLU 75 Ca 0.14 -0.63 -0.22 0.00 -0.16 0.00 0.00 57.16 56.29 2otr n GLU 75 Cb 0.65 -0.37 0.01 0.00 1.43 0.00 0.00 31.44 33.16 2otr n GLU 75 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2otr n ASN 76 N 0.00 -6.05 -4.00 -1.84 4.13 0.90 -4.86 115.26 103.54 2otr n ASN 76 Ca 0.00 -0.34 -0.18 0.00 1.68 0.00 0.00 54.58 55.74 2otr n ASN 76 Cb 0.61 -2.89 -0.15 0.00 -1.54 0.00 0.00 39.78 35.80 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 -2.48 0.61 -0.68 3.41 2.01 -1.11 -2.78 115.64 114.62 2otr s THR 77 Ca 0.15 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 2otr s THR 77 Cb -0.02 -0.51 0.17 0.00 0.01 0.00 0.00 72.50 72.15 2otr s THR 77 CO 0.85 0.17 0.60 -0.22 -0.69 0.00 0.00 174.62 175.33 2otr s LEU 78 N -0.13 6.31 -0.39 4.42 0.20 0.44 -1.99 118.68 127.54 2otr s LEU 78 Ca 0.02 -2.34 -0.20 0.00 0.69 0.00 0.00 54.13 52.31 2otr s LEU 78 Cb -0.04 -2.15 0.01 0.00 -0.43 0.00 0.00 46.19 43.58 2otr s LEU 78 CO -0.00 -0.66 0.60 0.12 -0.29 0.00 0.00 176.35 176.12 2otr s PHE 79 N 0.72 3.13 1.00 5.38 5.36 -1.09 -0.40 117.98 132.09 2otr s PHE 79 Ca 0.12 0.13 -0.13 0.00 -0.96 0.00 0.00 56.93 56.08 2otr s PHE 79 Cb -0.19 -3.15 0.19 0.00 -0.34 0.00 0.00 43.02 39.53 2otr s PHE 79 CO -0.04 -0.69 1.11 -0.51 -1.46 0.00 0.00 175.22 173.63 2otr s LEU 80 N 2.64 1.61 0.18 6.12 1.43 -0.80 0.10 118.68 129.95 2otr s LEU 80 Ca 0.22 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2otr s LEU 80 Cb -0.15 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2otr s LEU 80 CO 0.16 -3.10 0.00 0.52 0.23 0.00 0.00 176.35 174.16 2otr n VAL 81 N -4.13 0.00 -4.31 -1.59 0.31 0.44 -4.16 118.33 104.89 2otr n VAL 81 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.15 2otr n VAL 81 Cb 0.58 -0.15 -0.08 0.00 -0.91 0.00 0.00 33.84 33.28 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 -1.48 2.11 -0.30 5.55 3.52 -0.06 -3.32 118.95 124.97 2otr s ARG 82 Ca 0.00 -1.78 -0.19 0.00 -0.13 0.00 0.00 55.73 53.63 2otr s ARG 82 Cb 0.00 -1.93 0.20 0.00 -1.56 0.00 0.00 34.95 31.65 2otr s ARG 82 CO 0.00 0.08 1.29 -1.17 -0.81 0.00 0.00 175.30 174.69 2otr s LEU 83 N -3.75 -0.06 0.00 -0.88 0.20 -1.02 -2.27 118.68 110.90 2otr s LEU 83 Ca 0.36 0.08 0.00 0.00 0.69 0.00 0.00 54.13 55.26 2otr s LEU 83 Cb 0.01 1.07 0.00 0.00 -0.43 0.00 0.00 46.19 46.84 2otr s LEU 83 CO 0.20 -0.01 0.00 0.61 -0.29 0.00 0.00 176.35 176.86 2otr n GLY 84 N 4.58 0.59 4.01 7.98 0.00 -1.24 -4.52 105.19 116.59 2otr n GLY 84 Ca -0.06 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 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 5.47 0.03 1.61 0.15 -1.26 -0.58 113.70 115.12 2otr s SER 85 Ca 0.00 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 55.92 2otr s SER 85 Cb 0.00 -0.37 -0.33 0.00 -1.71 0.00 0.00 66.02 63.62 2otr s SER 85 CO 0.00 -0.93 1.03 -0.74 1.20 0.00 0.00 173.24 173.80 2otr h HIS 86 N 0.52 0.97 -0.01 3.44 2.76 -1.98 -3.03 115.15 117.81 2otr h HIS 86 Ca -0.37 -0.66 -0.16 0.00 -2.20 0.00 0.00 60.37 56.98 2otr h HIS 86 Cb 1.28 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 2otr h HIS 86 CO 0.42 1.51 -0.73 0.77 -1.30 0.00 0.00 177.93 178.59 2otr h SER 87 N 0.16 0.13 0.29 3.26 0.02 -1.97 -2.83 113.55 112.61 2otr h SER 87 Ca -0.22 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.53 2otr h SER 87 Cb 2.02 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.51 2otr h SER 87 CO 0.25 0.82 -0.43 -0.08 -1.14 0.00 0.00 176.83 176.24 2otr h GLU 88 N 0.07 0.18 0.00 3.45 4.57 -1.97 -3.34 114.58 117.53 2otr h GLU 88 Ca -0.02 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2otr h GLU 88 Cb 1.30 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2otr h GLU 88 CO 0.10 0.58 0.00 1.28 -1.18 0.00 0.00 179.01 179.80 2otr n LEU 89 N -4.01 1.29 0.00 1.64 7.99 -1.14 -4.99 117.00 117.79 2otr n LEU 89 Ca -0.02 0.33 0.04 0.00 -0.01 0.00 0.00 56.01 56.35 2otr n LEU 89 Cb 0.49 -0.23 0.25 0.00 -0.11 0.00 0.00 43.42 43.81 2otr n LEU 89 CO 0.41 -0.23 0.47 0.49 -1.51 0.00 0.00 177.39 177.02