#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 3.42 0.00 -0.89 2.34 -1.26 -4.90 118.68 117.40 2otr s LEU 2 Ca 0.00 -0.01 -0.20 0.00 0.06 0.00 0.00 54.13 53.98 2otr s LEU 2 Cb 0.00 -1.81 0.31 0.00 -0.56 0.00 0.00 46.19 44.13 2otr s LEU 2 CO 0.00 0.25 0.71 0.41 -1.06 0.00 0.00 176.35 176.66 2otr n THR 3 N 3.02 0.00 -4.01 5.48 -1.04 -1.02 -4.41 114.28 112.31 2otr n THR 3 Ca -0.18 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.56 2otr n THR 3 Cb 0.53 -0.81 -0.17 0.00 -1.82 0.00 0.00 70.33 68.06 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 -1.93 1.21 0.35 12.58 1.09 -1.26 0.96 121.20 134.20 2otr s ILE 4 Ca 0.55 -0.42 0.08 0.00 -1.10 0.00 0.00 60.65 59.76 2otr s ILE 4 Cb -0.10 -1.19 -0.04 0.00 -1.06 0.00 0.00 42.46 40.07 2otr s ILE 4 CO 0.46 0.40 0.12 -1.61 -0.10 0.00 0.00 174.94 174.21 2otr s GLU 5 N 1.54 2.31 0.05 2.79 0.41 0.12 -4.92 118.70 121.00 2otr s GLU 5 Ca 0.03 -1.61 0.03 0.00 -0.41 0.00 0.00 54.97 53.01 2otr s GLU 5 Cb -0.13 -2.11 -0.02 0.00 -1.78 0.00 0.00 34.13 30.08 2otr s GLU 5 CO -0.08 0.09 -0.10 0.95 -0.49 0.00 0.00 175.26 175.64 2otr s THR 6 N -2.46 0.70 0.13 3.63 -4.23 -1.26 -1.98 115.64 110.17 2otr s THR 6 Ca 0.38 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 2otr s THR 6 Cb -0.02 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 73.11 2otr s THR 6 CO 0.22 -0.32 0.14 -0.24 -0.54 0.00 0.00 174.62 173.88 2otr n SER 7 N 1.46 0.99 0.01 3.99 2.88 -1.26 -4.94 113.62 116.75 2otr n SER 7 Ca -0.22 -1.40 -0.09 0.00 -1.33 0.00 0.00 58.87 55.83 2otr n SER 7 Cb 0.55 -0.05 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.13 -0.23 -1.46 1.57 -1.96 -3.12 116.57 111.24 2otr h LYS 8 Ca -0.07 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2otr h LYS 8 Cb 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2otr h LYS 8 CO 0.11 0.34 -0.09 0.87 -0.57 0.00 0.00 179.45 180.11 2otr h LYS 9 N -0.93 0.37 -0.01 3.15 1.57 -1.98 -2.20 116.57 116.54 2otr h LYS 9 Ca -0.01 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2otr h LYS 9 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2otr h LYS 9 CO 0.02 0.47 -0.09 0.35 -0.57 0.00 0.00 179.45 179.63 2otr h PHE 10 N 0.35 0.01 0.18 -1.35 3.57 -1.62 -1.19 116.94 116.90 2otr h PHE 10 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2otr h PHE 10 Cb 0.38 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2otr h PHE 10 CO 0.01 0.10 -0.09 0.22 -2.23 0.00 0.00 178.31 176.32 2otr h ASP 11 N 0.01 -0.21 0.56 0.41 3.58 -1.33 -2.75 116.42 116.69 2otr h ASP 11 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2otr h ASP 11 Cb 0.17 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2otr h ASP 11 CO 0.01 0.23 0.00 2.29 -2.88 0.00 0.00 179.24 178.89 2otr n LYS 12 N -5.01 0.02 0.04 0.28 2.85 -1.11 -2.43 118.16 112.80 2otr n LYS 12 Ca -0.09 0.24 -0.04 0.00 -1.05 0.00 0.00 58.31 57.38 2otr n LYS 12 Cb 0.25 -1.53 -0.09 0.00 -0.65 0.00 0.00 35.03 33.01 2otr n LYS 12 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2otr h ASP 13 N 0.00 0.00 0.53 -5.58 5.19 -1.10 -3.34 116.42 112.12 2otr h ASP 13 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 2otr h ASP 13 Cb 0.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2otr h ASP 13 CO 0.00 0.80 -1.44 0.25 -3.12 0.00 0.00 179.24 175.73 2otr h LEU 14 N 0.00 0.34 -2.06 1.55 5.85 -1.18 -3.30 115.31 116.51 2otr h LEU 14 Ca -0.13 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.17 2otr h LEU 14 Cb 1.72 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 2otr h LEU 14 CO 0.08 1.37 0.07 0.07 -0.34 0.00 0.00 178.44 179.69 2otr h LYS 15 N 0.06 0.00 0.01 1.25 2.10 -1.65 -0.40 116.57 117.93 2otr h LYS 15 Ca -0.20 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.18 2otr h LYS 15 Cb 1.99 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.34 2otr h LYS 15 CO 0.16 0.00 -1.05 0.82 -2.00 0.00 0.00 179.45 177.38 2otr h ILE 16 N 0.00 1.29 -0.19 0.07 1.08 -1.68 -3.06 117.51 115.02 2otr h ILE 16 Ca 0.04 -2.29 -0.10 0.00 -0.39 0.00 0.00 64.86 62.12 2otr h ILE 16 Cb 0.18 2.41 -0.00 0.00 -3.07 0.00 0.00 36.82 36.34 2otr h ILE 16 CO -0.00 0.71 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.81 2otr h LEU 17 N 0.37 0.58 -2.15 1.44 3.38 -1.43 -2.73 115.31 114.77 2otr h LEU 17 Ca -0.13 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.33 2otr h LEU 17 Cb 1.71 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2otr h LEU 17 CO 0.20 0.99 0.02 1.62 0.09 0.00 0.00 178.44 181.36 2otr h VAL 18 N 0.19 0.83 0.01 1.22 3.04 -1.20 0.73 116.25 121.06 2otr h VAL 18 Ca 0.02 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.51 2otr h VAL 18 Cb 0.86 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.11 2otr h VAL 18 CO 0.07 0.00 -0.94 0.50 -1.01 0.00 0.00 177.57 176.18 2otr h LYS 19 N 0.00 0.03 0.16 4.17 1.63 -1.42 -3.33 116.57 117.81 2otr h LYS 19 Ca 0.01 -0.04 -0.36 0.00 -0.85 0.00 0.00 60.65 59.41 2otr h LYS 19 Cb 0.04 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2otr h LYS 19 CO -0.00 0.95 -1.84 -0.97 -3.45 0.00 0.00 179.45 174.13 2otr h ASN 20 N 0.01 0.54 0.00 4.20 -0.73 -0.88 -3.48 115.58 115.24 2otr h ASN 20 Ca -0.02 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.22 2otr h ASN 20 Cb 1.65 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 40.07 2otr h ASN 20 CO 0.13 1.81 0.00 0.61 -0.37 0.00 0.00 177.43 179.60 2otr n GLY 21 N 1.91 -1.66 3.34 1.57 0.00 0.24 -5.10 105.19 105.49 2otr n GLY 21 Ca -0.27 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 0.46 0.30 1.61 5.36 -0.96 -4.83 117.98 119.92 2otr s PHE 22 Ca 0.00 -0.82 0.06 0.00 -0.96 0.00 0.00 56.93 55.22 2otr s PHE 22 Cb 0.00 -0.09 -0.06 0.00 -0.34 0.00 0.00 43.02 42.53 2otr s PHE 22 CO 0.00 -0.72 -0.04 -0.51 -1.46 0.00 0.00 175.22 172.49 2otr s ASP 23 N -2.99 2.84 -0.18 6.13 1.01 -1.26 -4.62 116.67 117.60 2otr s ASP 23 Ca 0.19 -1.23 -0.16 0.00 0.71 0.00 0.00 52.55 52.06 2otr s ASP 23 Cb 0.03 -0.18 -0.12 0.00 1.01 0.00 0.00 42.92 43.66 2otr s ASP 23 CO 0.01 -0.38 0.03 0.18 0.21 0.00 0.00 175.17 175.22 2otr n LEU 24 N -0.64 1.84 0.29 1.23 4.32 -1.26 -4.16 117.00 118.62 2otr n LEU 24 Ca -0.05 0.51 0.18 0.00 -0.02 0.00 0.00 56.01 56.64 2otr n LEU 24 Cb 0.64 -0.92 0.98 0.00 -1.62 0.00 0.00 43.42 42.50 2otr n LEU 24 CO 0.41 -0.04 1.15 0.11 -1.22 0.00 0.00 177.39 177.81 2otr h LYS 25 N -1.00 0.00 -0.09 3.23 1.79 -1.99 -2.57 116.57 115.94 2otr h LYS 25 Ca -0.21 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.30 2otr h LYS 25 Cb 0.98 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.58 2otr h LYS 25 CO -0.13 0.00 -0.19 1.25 -1.08 0.00 0.00 179.45 179.30 2otr h LEU 26 N 0.00 -0.59 -1.78 2.94 7.12 -2.00 -0.04 115.31 120.96 2otr h LEU 26 Ca 0.02 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 2otr h LEU 26 Cb 0.22 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2otr h LEU 26 CO -0.00 -0.25 -0.04 0.25 -0.13 0.00 0.00 178.44 178.27 2otr h LEU 27 N -0.27 0.07 -0.80 2.25 6.46 -1.66 -1.05 115.31 120.32 2otr h LEU 27 Ca 0.09 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.75 2otr h LEU 27 Cb 0.39 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2otr h LEU 27 CO -0.25 0.13 -0.43 1.88 -0.62 0.00 0.00 178.44 179.16 2otr h TYR 28 N 0.08 0.00 0.08 1.25 0.05 -1.25 -2.98 116.97 114.20 2otr h TYR 28 Ca 0.02 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.52 2otr h TYR 28 Cb 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 2otr h TYR 28 CO 0.00 0.43 -1.45 -0.22 -1.05 0.00 0.00 178.16 175.87 2otr h LYS 29 N 0.00 0.16 0.00 4.88 1.63 0.14 -3.29 116.57 120.09 2otr h LYS 29 Ca -0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2otr h LYS 29 Cb 0.99 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2otr h LYS 29 CO 0.06 1.00 0.00 0.28 -3.45 0.00 0.00 179.45 177.34 2otr h VAL 30 N 0.04 0.00 -0.87 2.00 2.07 -1.22 -3.15 116.25 115.12 2otr h VAL 30 Ca -0.20 -0.39 0.25 0.00 0.82 0.00 0.00 66.70 67.18 2otr h VAL 30 Cb 1.97 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 2otr h VAL 30 CO 0.14 0.00 0.72 0.58 0.02 0.00 0.00 177.57 179.03 2otr h VAL 31 N 0.00 0.40 0.00 2.57 2.07 -1.59 0.70 116.25 120.40 2otr h VAL 31 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2otr h VAL 31 Cb 0.49 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2otr h VAL 31 CO 0.00 0.00 -0.45 1.23 0.02 0.00 0.00 177.57 178.37 2otr h GLY 32 N 0.00 0.00 0.99 2.17 0.00 -1.81 -2.97 103.07 101.45 2otr h GLY 32 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.47 2otr h GLY 32 CO -0.00 0.00 -1.65 0.70 0.00 0.00 0.00 176.54 175.58 2otr n ASN 33 N -3.53 0.88 -0.13 0.19 4.13 0.23 -3.45 115.26 113.58 2otr n ASN 33 Ca -0.00 0.41 -0.06 0.00 1.68 0.00 0.00 54.58 56.61 2otr n ASN 33 Cb 0.57 -0.04 0.11 0.00 -1.54 0.00 0.00 39.78 38.88 2otr n ASN 33 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2otr h LEU 34 N 0.00 0.85 -0.38 3.41 3.38 -1.13 0.73 115.31 122.16 2otr h LEU 34 Ca -0.26 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.29 2otr h LEU 34 Cb 1.94 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 2otr h LEU 34 CO 0.07 0.94 -0.81 0.00 0.09 0.00 0.00 178.44 178.73 2otr h ALA 35 N 1.15 0.63 0.14 1.53 0.00 -1.67 -3.30 119.26 117.73 2otr h ALA 35 Ca 0.14 -0.70 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 2otr h ALA 35 Cb 0.54 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2otr h ALA 35 CO 0.03 0.92 -1.09 1.79 0.00 0.00 0.00 179.25 180.90 2otr h THR 36 N 0.07 1.30 -5.39 0.00 1.35 -1.53 -3.49 112.91 105.22 2otr h THR 36 Ca -0.03 -2.49 -0.29 0.00 -0.55 0.00 0.00 66.41 63.05 2otr h THR 36 Cb 1.41 2.99 0.16 0.00 -1.73 0.00 0.00 68.15 70.99 2otr h THR 36 CO 0.12 0.71 -0.74 -0.62 -0.25 0.00 0.00 175.52 174.74 2otr n GLU 37 N -4.03 -5.43 -0.11 4.72 1.02 0.25 -4.97 120.64 112.10 2otr n GLU 37 Ca -0.19 0.80 -0.19 0.00 -0.02 0.00 0.00 57.16 57.56 2otr n GLU 37 Cb 0.87 -5.64 -0.08 0.00 -0.02 0.00 0.00 31.44 26.57 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 -3.77 0.55 0.00 3.49 6.02 -1.26 -4.90 117.38 117.50 2otr n GLN 38 Ca -0.23 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2otr n GLN 38 Cb 0.65 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 -4.43 0.00 -2.31 -1.09 -0.04 -1.26 -4.92 135.00 120.96 2otr n PRO 39 Ca -0.31 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 62.98 2otr n PRO 39 Cb 0.64 -0.04 -0.02 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.08 -1.54 -2.09 1.53 4.77 -1.26 -4.25 117.00 114.07 2otr n LEU 40 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2otr n LEU 40 Cb 0.00 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.52 2otr n LEU 40 CO 0.00 -0.26 -0.46 0.00 -1.33 0.00 0.00 177.39 175.34 2otr n ALA 41 N -1.74 -2.08 0.23 -1.18 0.00 -1.15 -2.84 120.51 111.74 2otr n ALA 41 Ca -0.20 0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.79 2otr n ALA 41 Cb 0.64 -1.40 0.56 0.00 0.00 0.00 0.00 19.45 19.25 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 4.09 0.00 -0.05 0.00 0.13 -1.93 0.58 132.00 134.81 2otr h PRO 42 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2otr h PRO 42 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2otr h PRO 42 CO 0.00 0.21 -0.26 1.57 -0.23 0.00 0.00 178.00 179.30 2otr h LYS 43 N 0.00 0.09 0.00 0.86 -0.00 -1.95 -3.36 116.57 112.21 2otr h LYS 43 Ca -0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 2otr h LYS 43 Cb 0.51 -0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 32.73 2otr h LYS 43 CO 0.03 0.35 -0.63 0.66 -0.00 0.00 0.00 179.45 179.86 2otr n TYR 44 N -4.20 0.00 -1.48 0.07 4.01 -1.00 -5.14 117.16 109.42 2otr n TYR 44 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2otr n TYR 44 Cb 0.33 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 -4.20 -1.57 -0.72 5.02 0.20 -4.91 118.16 107.95 2otr n LYS 45 Ca -0.09 3.08 -0.33 0.00 -2.02 0.00 0.00 58.31 58.95 2otr n LYS 45 Cb 0.31 -3.43 0.07 0.00 -0.02 0.00 0.00 35.03 31.97 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 -2.52 4.65 -0.14 4.39 2.15 -1.26 -4.87 116.67 119.07 2otr s ASP 46 Ca 0.00 2.13 -0.31 0.00 0.43 0.00 0.00 52.55 54.79 2otr s ASP 46 Cb 0.00 -2.56 0.13 0.00 -0.30 0.00 0.00 42.92 40.19 2otr s ASP 46 CO 0.00 -1.94 1.07 -1.38 -0.17 0.00 0.00 175.17 172.75 2otr s HIS 47 N -2.25 -0.25 1.12 -5.34 -3.43 -1.25 -5.07 115.29 98.82 2otr s HIS 47 Ca 0.69 0.27 -0.13 0.00 -0.80 0.00 0.00 55.06 55.09 2otr s HIS 47 Cb -0.23 0.50 0.25 0.00 -1.43 0.00 0.00 32.58 31.67 2otr s HIS 47 CO 0.44 -0.32 1.05 -1.25 -2.00 0.00 0.00 174.74 172.66 2otr s PRO 48 N -2.11 -0.52 -0.22 -0.38 0.04 -1.26 -4.09 135.00 126.46 2otr s PRO 48 Ca 0.05 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 61.59 2otr s PRO 48 Cb -0.01 -1.62 -0.10 0.00 0.04 0.00 0.00 34.50 32.81 2otr s PRO 48 CO -0.04 -3.39 -0.26 1.28 0.04 0.00 0.00 177.00 174.62 2otr n LEU 49 N -4.65 1.81 -1.43 -3.56 4.77 -1.25 -4.94 117.00 107.75 2otr n LEU 49 Ca 0.04 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2otr n LEU 49 Cb 0.56 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2otr n LEU 49 CO 0.57 0.53 -0.41 0.29 -1.33 0.00 0.00 177.39 177.04 2otr n LYS 50 N -3.80 -4.10 0.00 3.23 4.01 -1.26 -5.01 118.16 111.23 2otr n LYS 50 Ca -0.42 3.06 0.00 0.00 -0.51 0.00 0.00 58.31 60.44 2otr n LYS 50 Cb 0.82 -3.46 0.00 0.00 -0.51 0.00 0.00 35.03 31.88 2otr n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2otr n GLY 51 N -0.96 0.94 0.24 0.72 0.00 -1.26 -4.68 105.19 100.21 2otr n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.98 2.79 -0.02 0.00 -1.26 -4.90 105.19 104.77 2otr n GLY 52 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 5.32 -0.15 0.99 4.77 -1.26 -4.82 117.00 121.85 2otr n LEU 53 Ca 0.00 -5.54 -0.11 0.00 -0.03 0.00 0.00 56.01 50.33 2otr n LEU 53 Cb 0.00 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.28 2otr n LEU 53 CO 0.00 2.18 0.70 0.11 -1.33 0.00 0.00 177.39 179.06 2otr h LYS 54 N 3.68 0.87 -0.17 3.23 1.57 -1.90 -2.87 116.57 120.98 2otr h LYS 54 Ca 0.26 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2otr h LYS 54 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2otr h LYS 54 CO 0.96 0.98 0.11 -0.44 -0.57 0.00 0.00 179.45 180.50 2otr h ASP 55 N 0.70 0.16 -3.85 0.86 3.32 -1.98 -3.42 116.42 112.21 2otr h ASP 55 Ca 0.11 -0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.66 2otr h ASP 55 Cb 0.68 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.21 2otr h ASP 55 CO 0.05 0.11 0.45 -0.36 -1.72 0.00 0.00 179.24 177.77 2otr s PHE 56 N -5.21 3.52 0.01 4.55 0.40 -1.08 -4.52 117.98 115.65 2otr s PHE 56 Ca -0.06 1.70 -0.24 0.00 -0.60 0.00 0.00 56.93 57.73 2otr s PHE 56 Cb 0.17 -3.22 0.05 0.00 0.51 0.00 0.00 43.02 40.54 2otr s PHE 56 CO 0.69 -0.50 0.54 1.03 0.70 0.00 0.00 175.22 177.68 2otr s ARG 57 N -1.73 1.01 0.06 0.44 0.52 -1.05 -3.78 118.95 114.41 2otr s ARG 57 Ca 0.48 -0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.65 2otr s ARG 57 Cb -0.29 0.46 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 2otr s ARG 57 CO 0.37 -0.34 -0.13 -2.00 0.02 0.00 0.00 175.30 173.21 2otr s GLU 58 N -1.97 0.79 0.11 3.54 -6.30 -1.26 -0.75 118.70 112.86 2otr s GLU 58 Ca -0.08 -0.90 0.03 0.00 -2.50 0.00 0.00 54.97 51.52 2otr s GLU 58 Cb -0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 34.13 33.35 2otr s GLU 58 CO 0.02 0.17 0.09 0.00 0.02 0.00 0.00 175.26 175.56 2otr s HIS 60 N -2.43 1.03 0.18 0.00 3.76 -1.26 -1.90 115.29 114.67 2otr s HIS 60 Ca 0.13 -2.04 -0.10 0.00 -0.15 0.00 0.00 55.06 52.90 2otr s HIS 60 Cb 0.01 -1.01 0.08 0.00 1.11 0.00 0.00 32.58 32.77 2otr s HIS 60 CO 0.09 -0.82 1.68 1.37 -0.85 0.00 0.00 174.74 176.22 2otr h LEU 61 N 6.31 0.97-10.24 0.89 8.10 -1.82 -3.05 115.31 116.47 2otr h LEU 61 Ca 0.16 -0.24 -0.46 0.00 0.11 0.00 0.00 57.88 57.44 2otr h LEU 61 Cb 0.93 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 2otr h LEU 61 CO 0.34 0.96 -0.36 -0.54 -4.11 0.00 0.00 178.44 174.73 2otr s LYS 62 N -5.27 2.88 0.13 0.17 1.02 -1.26 -4.63 119.74 112.79 2otr s LYS 62 Ca -0.12 -1.20 0.17 0.00 0.02 0.00 0.00 55.97 54.84 2otr s LYS 62 Cb 0.13 -2.66 0.75 0.00 -0.52 0.00 0.00 37.83 35.53 2otr s LYS 62 CO 0.83 -0.02 1.53 -0.35 -0.92 0.00 0.00 175.35 176.42 2otr n PRO 63 N -1.59 0.09 -2.72 -1.68 -0.04 -1.26 -3.54 135.00 124.26 2otr n PRO 63 Ca 0.01 0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.77 2otr n PRO 63 Cb 0.59 -1.69 0.09 0.00 -0.04 0.00 0.00 33.50 32.45 2otr n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2otr n ASP 64 N -1.86 -1.06 -3.68 3.54 8.00 -1.26 -5.11 116.55 115.12 2otr n ASP 64 Ca 0.02 -2.73 -0.10 0.00 0.71 0.00 0.00 54.79 52.69 2otr n ASP 64 Cb 0.16 0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 41.87 2otr n ASP 64 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2otr s LEU 65 N -3.00 -0.31 0.55 0.64 2.96 -1.23 -4.58 118.68 113.71 2otr s LEU 65 Ca 0.24 0.98 -0.02 0.00 -0.22 0.00 0.00 54.13 55.11 2otr s LEU 65 Cb 0.39 1.46 0.02 0.00 0.50 0.00 0.00 46.19 48.56 2otr s LEU 65 CO -0.05 -0.21 0.81 -0.76 -1.32 0.00 0.00 176.35 174.82 2otr s LEU 66 N 1.70 3.33 -0.31 -0.68 1.02 0.57 -3.79 118.68 120.52 2otr s LEU 66 Ca -0.08 0.39 0.06 0.00 0.02 0.00 0.00 54.13 54.52 2otr s LEU 66 Cb -0.09 -3.23 0.19 0.00 0.02 0.00 0.00 46.19 43.09 2otr s LEU 66 CO -0.14 -1.02 0.58 -0.22 0.02 0.00 0.00 176.35 175.58 2otr s LEU 67 N -4.83 -1.57 -0.21 1.79 2.96 -0.80 -3.50 118.68 112.53 2otr s LEU 67 Ca 0.53 0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.30 2otr s LEU 67 Cb -0.10 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.51 2otr s LEU 67 CO 0.41 -0.29 0.37 -0.69 -1.32 0.00 0.00 176.35 174.84 2otr s VAL 68 N 2.67 5.21 0.11 1.68 1.01 -1.22 -1.22 120.40 128.64 2otr s VAL 68 Ca 0.11 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 2otr s VAL 68 Cb -0.09 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2otr s VAL 68 CO -0.24 0.25 0.06 -0.72 0.00 0.00 0.00 175.10 174.46 2otr s TYR 69 N 1.36 0.67 -0.21 5.22 -0.85 0.07 0.14 117.35 123.75 2otr s TYR 69 Ca 0.17 -1.10 -0.04 0.00 -0.52 0.00 0.00 57.07 55.58 2otr s TYR 69 Cb -0.15 -0.39 0.08 0.00 0.38 0.00 0.00 41.96 41.89 2otr s TYR 69 CO 0.08 -0.50 0.14 -1.14 -1.52 0.00 0.00 175.55 172.61 2otr s GLN 70 N -3.99 0.13 0.27 -3.49 0.74 0.13 -2.55 119.66 110.91 2otr s GLN 70 Ca 0.17 -0.10 -0.19 0.00 0.05 0.00 0.00 55.36 55.29 2otr s GLN 70 Cb 0.07 -1.49 -0.09 0.00 1.10 0.00 0.00 33.01 32.60 2otr s GLN 70 CO -0.03 -0.75 0.76 0.42 -0.55 0.00 0.00 175.29 175.14 2otr s ILE 71 N 2.19 4.56 -0.30 -2.34 1.09 -1.26 -2.67 121.20 122.46 2otr s ILE 71 Ca 0.05 1.25 0.03 0.00 -1.10 0.00 0.00 60.65 60.89 2otr s ILE 71 Cb -0.16 -3.79 0.08 0.00 -1.06 0.00 0.00 42.46 37.53 2otr s ILE 71 CO -0.16 0.07 -0.02 -1.59 -0.10 0.00 0.00 174.94 173.13 2otr s LYS 72 N -2.32 1.82 0.65 2.79 0.00 -0.80 -4.96 119.74 116.92 2otr s LYS 72 Ca 0.48 -1.62 0.42 0.00 0.00 0.00 0.00 55.97 55.25 2otr s LYS 72 Cb -0.15 -3.05 2.33 0.00 0.00 0.00 0.00 37.83 36.96 2otr s LYS 72 CO 0.20 -0.77 2.35 0.87 0.00 0.00 0.00 175.35 178.01 2otr h LYS 73 N 7.69 0.00 -0.84 1.78 1.79 -1.96 0.23 116.57 125.26 2otr h LYS 73 Ca -0.11 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.56 2otr h LYS 73 Cb 1.03 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 2otr h LYS 73 CO 0.49 0.00 0.57 0.37 -1.08 0.00 0.00 179.45 179.80 2otr h GLN 74 N 0.00 0.30 0.00 3.15 5.75 -1.98 -3.11 115.11 119.22 2otr h GLN 74 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2otr h GLN 74 Cb 0.00 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2otr h GLN 74 CO -0.00 0.20 -0.28 -0.85 -2.65 0.00 0.00 178.83 175.25 2otr n GLU 75 N -4.45 0.00 -3.41 1.69 0.28 -0.84 -5.06 120.64 108.84 2otr n GLU 75 Ca 0.18 -0.67 -0.22 0.00 -0.16 0.00 0.00 57.16 56.28 2otr n GLU 75 Cb 0.71 -0.39 0.01 0.00 1.43 0.00 0.00 31.44 33.20 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 -6.13 -4.08 -1.84 4.13 0.76 -4.81 115.26 103.29 2otr n ASN 76 Ca 0.00 -0.29 -0.15 0.00 1.68 0.00 0.00 54.58 55.82 2otr n ASN 76 Cb 0.61 -2.98 -0.12 0.00 -1.54 0.00 0.00 39.78 35.75 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 -2.46 0.69 -0.64 3.41 2.01 -1.11 -2.42 115.64 115.12 2otr s THR 77 Ca 0.16 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 2otr s THR 77 Cb -0.02 -0.71 0.17 0.00 0.01 0.00 0.00 72.50 71.94 2otr s THR 77 CO 0.84 -0.27 0.50 -0.22 -0.69 0.00 0.00 174.62 174.78 2otr s LEU 78 N -1.44 5.77 -0.53 4.42 0.20 0.27 -1.91 118.68 125.47 2otr s LEU 78 Ca -0.06 -2.55 -0.22 0.00 0.69 0.00 0.00 54.13 51.99 2otr s LEU 78 Cb -0.09 -1.99 0.05 0.00 -0.43 0.00 0.00 46.19 43.73 2otr s LEU 78 CO 0.01 -0.51 0.79 0.12 -0.29 0.00 0.00 176.35 176.47 2otr s PHE 79 N 0.39 2.91 1.27 5.38 5.36 -1.09 0.16 117.98 132.37 2otr s PHE 79 Ca 0.14 -0.25 -0.21 0.00 -0.96 0.00 0.00 56.93 55.65 2otr s PHE 79 Cb -0.19 -3.82 0.32 0.00 -0.34 0.00 0.00 43.02 39.00 2otr s PHE 79 CO -0.04 -1.20 0.95 1.28 -1.46 0.00 0.00 175.22 174.75 2otr n LEU 80 N 6.85 0.00 0.21 6.12 4.77 -0.84 0.22 117.00 134.34 2otr n LEU 80 Ca -0.02 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 2otr n LEU 80 Cb 0.47 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2otr n LEU 80 CO 0.59 -2.40 0.00 0.52 -1.33 0.00 0.00 177.39 174.77 2otr n VAL 81 N -5.16 0.00 -4.17 4.08 0.31 0.37 -4.32 118.33 109.44 2otr n VAL 81 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.23 2otr n VAL 81 Cb 0.57 -0.13 -0.07 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.00 2.26 -0.30 5.55 3.00 -0.66 -2.90 118.95 123.91 2otr s ARG 82 Ca 0.00 -1.66 -0.14 0.00 -1.00 0.00 0.00 55.73 52.93 2otr s ARG 82 Cb 0.00 -2.07 0.18 0.00 0.00 0.00 0.00 34.95 33.06 2otr s ARG 82 CO 0.00 0.07 1.13 -1.17 0.00 0.00 0.00 175.30 175.34 2otr s LEU 83 N -3.82 -0.18 0.00 -0.88 1.98 -1.26 -3.44 118.68 111.08 2otr s LEU 83 Ca 0.38 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.63 2otr s LEU 83 Cb -0.01 1.04 0.00 0.00 0.66 0.00 0.00 46.19 47.88 2otr s LEU 83 CO 0.22 -0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.26 2otr n GLY 84 N 4.92 -0.63 3.37 7.98 0.00 -1.23 -4.33 105.19 115.28 2otr n GLY 84 Ca 0.10 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 2otr n GLY 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otr s SER 85 N -4.00 3.00 0.31 1.61 1.04 -1.26 -0.32 113.70 114.08 2otr s SER 85 Ca 0.00 -0.88 0.08 0.00 0.48 0.00 0.00 55.95 55.63 2otr s SER 85 Cb 0.00 -0.20 0.50 0.00 0.10 0.00 0.00 66.02 66.42 2otr s SER 85 CO 0.00 0.02 1.71 -0.74 0.98 0.00 0.00 173.24 175.21 2otr h HIS 86 N 3.12 0.18 -0.04 5.02 2.76 -1.98 -0.56 115.15 123.65 2otr h HIS 86 Ca -0.43 -0.05 -0.20 0.00 -2.20 0.00 0.00 60.37 57.49 2otr h HIS 86 Cb 1.21 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 2otr h HIS 86 CO 0.70 0.56 -0.83 1.03 -1.30 0.00 0.00 177.93 178.09 2otr h SER 87 N 0.12 0.47 0.15 3.26 0.87 -1.96 -2.16 113.55 114.30 2otr h SER 87 Ca 0.01 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 2otr h SER 87 Cb 0.83 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2otr h SER 87 CO 0.06 1.11 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.32 2otr h GLU 88 N 0.23 -0.19 0.00 2.24 4.57 -1.94 -3.39 114.58 116.11 2otr h GLU 88 Ca -0.05 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2otr h GLU 88 Cb 1.44 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 2otr h GLU 88 CO 0.14 0.09 0.00 1.28 -1.18 0.00 0.00 179.01 179.34 2otr n LEU 89 N -4.89 0.01 0.00 1.64 4.32 -0.23 -5.02 117.00 112.83 2otr n LEU 89 Ca -0.05 0.93 0.06 0.00 -0.02 0.00 0.00 56.01 56.94 2otr n LEU 89 Cb 0.19 -0.46 0.38 0.00 -1.62 0.00 0.00 43.42 41.90 2otr n LEU 89 CO 0.15 -0.46 0.59 0.49 -1.22 0.00 0.00 177.39 176.95