#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 2.19 0.00 4.03 1.43 -1.26 -4.89 118.68 120.18 2otr s LEU 2 Ca 0.00 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 2otr s LEU 2 Cb 0.00 -0.22 0.25 0.00 0.03 0.00 0.00 46.19 46.25 2otr s LEU 2 CO 0.00 -0.13 0.57 0.41 0.23 0.00 0.00 176.35 177.44 2otr n THR 3 N 1.83 0.00 -3.90 5.49 -1.04 -1.15 -4.43 114.28 111.08 2otr n THR 3 Ca -0.20 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 2otr n THR 3 Cb 0.55 -0.65 -0.16 0.00 -1.82 0.00 0.00 70.33 68.25 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 -1.73 1.18 0.35 12.58 1.09 -1.26 -0.30 121.20 133.12 2otr s ILE 4 Ca 0.44 -0.75 0.08 0.00 -1.10 0.00 0.00 60.65 59.32 2otr s ILE 4 Cb -0.08 -1.39 -0.05 0.00 -1.06 0.00 0.00 42.46 39.88 2otr s ILE 4 CO 0.37 0.07 0.08 -1.61 -0.10 0.00 0.00 174.94 173.75 2otr s GLU 5 N 1.59 2.20 0.17 2.79 0.41 0.74 -4.95 118.70 121.65 2otr s GLU 5 Ca -0.01 -1.70 0.03 0.00 -0.41 0.00 0.00 54.97 52.88 2otr s GLU 5 Cb -0.16 -2.01 -0.05 0.00 -1.78 0.00 0.00 34.13 30.13 2otr s GLU 5 CO -0.08 0.08 -0.05 0.95 -0.49 0.00 0.00 175.26 175.68 2otr s THR 6 N -2.50 0.98 0.35 3.63 -4.23 -1.26 -1.98 115.64 110.63 2otr s THR 6 Ca 0.37 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2otr s THR 6 Cb -0.00 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2otr s THR 6 CO 0.21 -0.59 0.04 -1.54 -0.54 0.00 0.00 174.62 172.20 2otr n SER 7 N -0.25 2.86 -0.03 3.99 3.41 -1.26 -4.85 113.62 117.48 2otr n SER 7 Ca -0.08 -2.48 -0.15 0.00 -0.26 0.00 0.00 58.87 55.90 2otr n SER 7 Cb 0.62 0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.20 -0.24 4.33 1.57 -1.95 -3.03 116.57 117.45 2otr h LYS 8 Ca -0.28 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 2otr h LYS 8 Cb 0.87 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2otr h LYS 8 CO 0.46 0.88 -0.27 0.87 -0.57 0.00 0.00 179.45 180.83 2otr h LYS 9 N -0.42 0.47 -0.10 3.15 1.57 -1.98 -2.67 116.57 116.60 2otr h LYS 9 Ca -0.02 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2otr h LYS 9 Cb 0.95 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2otr h LYS 9 CO 0.05 0.70 -0.10 0.35 -0.57 0.00 0.00 179.45 179.88 2otr h PHE 10 N 0.42 0.15 0.18 -1.35 3.57 -1.57 0.84 116.94 119.18 2otr h PHE 10 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2otr h PHE 10 Cb 0.69 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2otr h PHE 10 CO 0.02 0.25 -0.09 0.22 -2.23 0.00 0.00 178.31 176.49 2otr h ASP 11 N 0.14 -0.21 0.85 0.41 1.82 -1.34 -2.65 116.42 115.44 2otr h ASP 11 Ca 0.03 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 2otr h ASP 11 Cb 0.28 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2otr h ASP 11 CO 0.02 0.24 0.00 2.29 -1.61 0.00 0.00 179.24 180.17 2otr n LYS 12 N -5.00 0.15 0.06 0.28 2.85 -1.14 -2.69 118.16 112.67 2otr n LYS 12 Ca -0.09 0.31 -0.06 0.00 -1.05 0.00 0.00 58.31 57.43 2otr n LYS 12 Cb 0.26 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 32.78 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 0.54 -5.58 5.19 -0.75 -3.30 116.42 112.51 2otr h ASP 13 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 2otr h ASP 13 Cb 0.42 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2otr h ASP 13 CO 0.00 0.92 -0.70 0.25 -3.12 0.00 0.00 179.24 176.59 2otr h LEU 14 N 0.00 0.16 -2.03 1.55 5.85 -1.25 -3.03 115.31 116.56 2otr h LEU 14 Ca -0.06 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2otr h LEU 14 Cb 1.76 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.73 2otr h LEU 14 CO 0.11 0.81 -0.09 0.07 -0.34 0.00 0.00 178.44 179.00 2otr h LYS 15 N 0.09 0.00 0.00 1.25 2.10 -1.63 0.18 116.57 118.56 2otr h LYS 15 Ca -0.02 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.42 2otr h LYS 15 Cb 1.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 2otr h LYS 15 CO 0.10 0.09 -1.08 0.82 -2.00 0.00 0.00 179.45 177.38 2otr h ILE 16 N 0.00 1.55 0.13 0.07 1.08 -1.66 -3.17 117.51 115.51 2otr h ILE 16 Ca -0.00 -3.26 -0.31 0.00 -0.39 0.00 0.00 64.86 60.89 2otr h ILE 16 Cb 0.20 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 2otr h ILE 16 CO 0.01 0.88 -1.56 -0.07 -0.69 0.00 0.00 178.15 176.72 2otr h LEU 17 N 0.00 0.42 -1.30 1.44 -0.00 -1.33 -3.24 115.31 111.29 2otr h LEU 17 Ca -0.05 -0.59 -0.05 0.00 -0.00 0.00 0.00 57.88 57.20 2otr h LEU 17 Cb 1.78 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 42.29 2otr h LEU 17 CO 0.12 1.49 -0.02 1.62 -0.00 0.00 0.00 178.44 181.65 2otr h VAL 18 N 0.07 1.18 -0.19 1.22 3.04 -0.79 0.91 116.25 121.70 2otr h VAL 18 Ca -0.26 -0.74 -0.16 0.00 -1.01 0.00 0.00 66.70 64.53 2otr h VAL 18 Cb 2.03 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 32.29 2otr h VAL 18 CO 0.16 0.25 -0.55 0.50 -1.01 0.00 0.00 177.57 176.92 2otr h LYS 19 N 0.43 0.57 0.00 4.17 1.63 -1.66 -3.16 116.57 118.54 2otr h LYS 19 Ca 0.09 -0.36 -0.11 0.00 -0.85 0.00 0.00 60.65 59.42 2otr h LYS 19 Cb 0.32 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2otr h LYS 19 CO 0.01 0.97 -1.09 -0.91 -3.45 0.00 0.00 179.45 174.98 2otr h ASN 20 N 0.44 0.00 0.00 4.20 2.35 -1.48 -3.48 115.58 117.60 2otr h ASN 20 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2otr h ASN 20 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2otr h ASN 20 CO 0.10 0.42 0.00 0.61 -1.65 0.00 0.00 177.43 176.92 2otr n GLY 21 N 1.31 1.66 3.56 2.83 0.00 0.31 -5.09 105.19 109.77 2otr n GLY 21 Ca -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.74 0.45 1.61 5.36 -0.92 -4.72 117.98 119.03 2otr s PHE 22 Ca 0.00 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.37 2otr s PHE 22 Cb 0.00 0.44 0.09 0.00 -0.34 0.00 0.00 43.02 43.21 2otr s PHE 22 CO 0.00 -0.37 0.62 -0.25 -1.46 0.00 0.00 175.22 173.77 2otr n ASP 23 N 4.38 1.07 -0.04 6.13 8.00 -1.26 -4.32 116.55 130.51 2otr n ASP 23 Ca -0.15 -1.85 -0.05 0.00 0.71 0.00 0.00 54.79 53.46 2otr n ASP 23 Cb 0.55 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 2otr n ASP 23 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2otr n LEU 24 N 0.00 0.64 0.24 0.64 7.99 -1.26 -4.52 117.00 120.73 2otr n LEU 24 Ca 0.11 -0.01 0.09 0.00 -0.01 0.00 0.00 56.01 56.19 2otr n LEU 24 Cb 0.39 0.08 0.65 0.00 -0.11 0.00 0.00 43.42 44.44 2otr n LEU 24 CO 0.26 0.31 1.08 0.07 -1.51 0.00 0.00 177.39 177.60 2otr h LYS 25 N 0.00 0.00 -0.03 3.23 -0.00 -2.00 -0.92 116.57 116.85 2otr h LYS 25 Ca -0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.27 2otr h LYS 25 Cb 1.49 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.70 2otr h LYS 25 CO 0.00 0.00 -0.66 1.37 -0.00 0.00 0.00 179.45 180.17 2otr h LEU 26 N 0.00 0.13 -0.86 7.07 8.10 -1.99 -2.02 115.31 125.74 2otr h LEU 26 Ca 0.02 -0.08 -0.09 0.00 0.11 0.00 0.00 57.88 57.84 2otr h LEU 26 Cb 0.08 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 2otr h LEU 26 CO -0.00 0.75 -0.41 0.25 -4.11 0.00 0.00 178.44 174.92 2otr h LEU 27 N 0.08 0.00 0.00 0.17 6.46 -1.41 0.23 115.31 120.84 2otr h LEU 27 Ca -0.01 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.51 2otr h LEU 27 Cb 1.17 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.06 2otr h LEU 27 CO 0.09 0.41 -1.38 1.88 -0.62 0.00 0.00 178.44 178.82 2otr h TYR 28 N 0.00 0.00 0.04 1.25 0.05 -1.34 -3.34 116.97 113.63 2otr h TYR 28 Ca -0.00 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 2otr h TYR 28 Cb 0.95 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 2otr h TYR 28 CO 0.00 0.93 -1.59 -0.22 -1.05 0.00 0.00 178.16 176.23 2otr h LYS 29 N 0.00 0.09 0.00 4.88 3.64 -1.28 -3.31 116.57 120.59 2otr h LYS 29 Ca -0.17 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2otr h LYS 29 Cb 1.86 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2otr h LYS 29 CO 0.09 0.80 0.00 -0.24 -2.27 0.00 0.00 179.45 177.84 2otr h VAL 30 N 0.02 0.00 -0.82 2.00 3.04 -0.68 -2.82 116.25 117.00 2otr h VAL 30 Ca -0.25 -0.09 0.16 0.00 -1.01 0.00 0.00 66.70 65.51 2otr h VAL 30 Cb 1.98 0.97 -0.10 0.00 -2.01 0.00 0.00 31.29 32.12 2otr h VAL 30 CO 0.11 0.00 0.36 1.62 -1.01 0.00 0.00 177.57 178.65 2otr h VAL 31 N 0.00 0.64 -0.07 1.51 3.04 -1.68 0.29 116.25 119.98 2otr h VAL 31 Ca 0.00 -0.17 0.02 0.00 -1.01 0.00 0.00 66.70 65.54 2otr h VAL 31 Cb 0.10 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.48 2otr h VAL 31 CO 0.00 0.09 0.06 1.23 -1.01 0.00 0.00 177.57 177.94 2otr h GLY 32 N 0.50 0.00 1.00 3.17 0.00 -1.77 -1.12 103.07 104.85 2otr h GLY 32 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.67 2otr h GLY 32 CO -0.42 0.00 -1.29 3.43 0.00 0.00 0.00 176.54 178.26 2otr h ASN 33 N 0.00 0.00 0.29 0.19 4.21 -0.74 -3.18 115.58 116.35 2otr h ASN 33 Ca 0.03 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.38 2otr h ASN 33 Cb 0.14 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 2otr h ASN 33 CO -0.00 0.43 -0.65 -0.07 -1.29 0.00 0.00 177.43 175.85 2otr h LEU 34 N 0.00 0.39 0.23 1.61 3.38 0.27 0.90 115.31 122.09 2otr h LEU 34 Ca -0.12 -0.24 -0.33 0.00 0.09 0.00 0.00 57.88 57.29 2otr h LEU 34 Cb 1.43 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 42.10 2otr h LEU 34 CO 0.03 0.93 -1.44 0.00 0.09 0.00 0.00 178.44 178.06 2otr h ALA 35 N 1.07 -0.12 0.19 1.53 0.00 -1.49 -3.35 119.26 117.08 2otr h ALA 35 Ca -0.01 -0.86 -0.34 0.00 0.00 0.00 0.00 54.91 53.69 2otr h ALA 35 Cb 1.19 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2otr h ALA 35 CO 0.11 0.74 -1.64 1.79 0.00 0.00 0.00 179.25 180.25 2otr h THR 36 N 0.14 1.07 -5.42 0.00 1.35 -1.58 -3.49 112.91 104.98 2otr h THR 36 Ca -0.24 -2.62 -0.09 0.00 -0.55 0.00 0.00 66.41 62.91 2otr h THR 36 Cb 2.14 2.83 0.07 0.00 -1.73 0.00 0.00 68.15 71.45 2otr h THR 36 CO 0.27 0.84 -0.30 -0.62 -0.25 0.00 0.00 175.52 175.46 2otr n GLU 37 N -3.59 -1.62 -0.11 4.72 1.02 0.31 -4.99 120.64 116.38 2otr n GLU 37 Ca -0.21 1.28 -0.20 0.00 -0.02 0.00 0.00 57.16 58.01 2otr n GLU 37 Cb 1.08 -5.74 -0.08 0.00 -0.02 0.00 0.00 31.44 26.67 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 -2.27 0.55 0.00 3.49 6.02 -1.25 -4.91 117.38 119.00 2otr n GLN 38 Ca -0.03 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2otr n GLN 38 Cb 0.54 -1.61 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 -4.41 0.00 -1.69 -1.09 -0.04 -1.26 -4.91 135.00 121.60 2otr n PRO 39 Ca -0.33 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 62.93 2otr n PRO 39 Cb 0.65 -0.04 -0.08 0.00 -0.04 0.00 0.00 33.50 34.00 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 -1.53 -1.66 1.53 4.77 -1.26 -4.43 117.00 114.34 2otr n LEU 40 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2otr n LEU 40 Cb 0.00 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 2otr n LEU 40 CO 0.00 -0.96 -0.42 0.00 -1.33 0.00 0.00 177.39 174.69 2otr n ALA 41 N 0.89 -2.17 0.22 -1.18 0.00 -1.23 -1.44 120.51 115.61 2otr n ALA 41 Ca -0.21 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.75 2otr n ALA 41 Cb 0.67 -1.33 0.44 0.00 0.00 0.00 0.00 19.45 19.22 2otr n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2otr h PRO 42 N 2.79 0.00 0.01 0.00 0.13 -1.95 0.57 132.00 133.55 2otr h PRO 42 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2otr h PRO 42 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2otr h PRO 42 CO 0.00 0.22 -1.00 1.57 -0.23 0.00 0.00 178.00 178.56 2otr h LYS 43 N 0.00 0.04 0.00 0.86 2.10 -1.96 -3.39 116.57 114.21 2otr h LYS 43 Ca -0.00 -0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.51 2otr h LYS 43 Cb 0.78 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 2otr h LYS 43 CO 0.03 1.00 -1.22 0.66 -2.00 0.00 0.00 179.45 177.92 2otr n TYR 44 N -3.41 0.00 -1.42 0.07 4.01 -1.15 -5.12 117.16 110.13 2otr n TYR 44 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2otr n TYR 44 Cb 0.92 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -4.34 -3.74 -3.06 -0.72 5.02 0.20 -4.95 118.16 106.56 2otr n LYS 45 Ca -0.20 2.90 -0.24 0.00 -2.02 0.00 0.00 58.31 58.74 2otr n LYS 45 Cb 0.55 -3.61 -0.00 0.00 -0.02 0.00 0.00 35.03 31.95 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 -5.09 6.13 0.13 4.39 2.15 -1.26 -4.69 116.67 118.42 2otr s ASP 46 Ca 0.00 0.52 -0.23 0.00 0.43 0.00 0.00 52.55 53.27 2otr s ASP 46 Cb 0.00 -1.92 0.07 0.00 -0.30 0.00 0.00 42.92 40.76 2otr s ASP 46 CO 0.00 -0.51 0.59 -1.00 -0.17 0.00 0.00 175.17 174.08 2otr s HIS 47 N -2.51 -0.52 -1.59 -5.34 3.76 -1.25 -5.03 115.29 102.81 2otr s HIS 47 Ca 0.45 0.38 0.22 0.00 -0.15 0.00 0.00 55.06 55.95 2otr s HIS 47 Cb -0.10 0.51 1.17 0.00 1.11 0.00 0.00 32.58 35.27 2otr s HIS 47 CO 0.39 -0.80 1.71 -0.35 -0.85 0.00 0.00 174.74 174.84 2otr n PRO 48 N -0.20 0.42 0.00 8.40 -0.04 -1.26 -3.80 135.00 138.52 2otr n PRO 48 Ca -0.17 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2otr n PRO 48 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2otr n PRO 48 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2otr n LEU 49 N -1.21 0.00 -1.13 1.53 0.00 -1.26 -4.41 117.00 110.53 2otr n LEU 49 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.28 2otr n LEU 49 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.52 2otr n LEU 49 CO 0.16 0.00 -0.31 0.29 0.00 0.00 0.00 177.39 177.53 2otr n LYS 50 N 0.00 -2.38 -0.42 1.96 5.02 -1.26 -5.00 118.16 116.08 2otr n LYS 50 Ca 0.00 1.72 0.00 0.00 -2.02 0.00 0.00 58.31 58.01 2otr n LYS 50 Cb 0.00 -2.86 0.00 0.00 -0.02 0.00 0.00 35.03 32.15 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 -3.79 1.26 0.00 0.72 0.00 -1.26 -4.38 105.19 97.74 2otr n GLY 51 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.43 2.42 2.48 -0.02 0.00 -1.26 -4.94 105.19 103.45 2otr n GLY 52 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 3.88 0.14 0.99 4.77 -1.26 -4.87 117.00 120.65 2otr n LEU 53 Ca 0.00 -5.48 0.01 0.00 -0.03 0.00 0.00 56.01 50.51 2otr n LEU 53 Cb 0.00 -0.66 0.30 0.00 -2.33 0.00 0.00 43.42 40.73 2otr n LEU 53 CO 0.00 2.09 0.70 0.11 -1.33 0.00 0.00 177.39 178.96 2otr h LYS 54 N 4.04 0.12 -0.32 3.23 1.57 -1.86 -2.76 116.57 120.59 2otr h LYS 54 Ca 0.19 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2otr h LYS 54 Cb 0.64 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2otr h LYS 54 CO 0.84 0.48 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.76 2otr h ASP 55 N 0.10 0.46 -3.47 0.86 5.19 -1.89 -3.43 116.42 114.24 2otr h ASP 55 Ca 0.01 -0.08 -0.54 0.00 -0.62 0.00 0.00 57.03 55.80 2otr h ASP 55 Cb 0.71 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2otr h ASP 55 CO 0.05 0.53 0.15 -0.36 -3.12 0.00 0.00 179.24 176.49 2otr s PHE 56 N -4.97 3.86 0.06 4.55 0.40 -1.04 -4.35 117.98 116.49 2otr s PHE 56 Ca -0.07 1.56 -0.23 0.00 -0.60 0.00 0.00 56.93 57.59 2otr s PHE 56 Cb 0.16 -2.75 0.05 0.00 0.51 0.00 0.00 43.02 40.99 2otr s PHE 56 CO 0.76 0.47 0.53 -0.98 0.70 0.00 0.00 175.22 176.70 2otr s ARG 57 N -0.90 1.06 -0.04 0.44 1.70 -1.13 -4.15 118.95 115.93 2otr s ARG 57 Ca 0.35 -0.25 0.03 0.00 -0.47 0.00 0.00 55.73 55.39 2otr s ARG 57 Cb -0.22 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 2otr s ARG 57 CO 0.25 -0.39 -0.11 -2.00 -1.08 0.00 0.00 175.30 171.96 2otr s GLU 58 N -2.56 1.31 0.11 3.89 2.12 -1.25 -1.80 118.70 120.52 2otr s GLU 58 Ca -0.05 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2otr s GLU 58 Cb -0.01 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.22 2otr s GLU 58 CO -0.03 0.11 0.01 0.00 -0.54 0.00 0.00 175.26 174.81 2otr n HIS 60 N -0.32 -1.02 -0.02 0.00 8.25 -1.26 -1.71 115.22 119.15 2otr n HIS 60 Ca -0.04 -3.25 -0.09 0.00 -0.26 0.00 0.00 57.72 54.07 2otr n HIS 60 Cb 0.14 0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 2otr n HIS 60 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 2otr h LEU 61 N 5.60 -0.26-10.43 2.41 8.10 -1.84 -3.27 115.31 115.62 2otr h LEU 61 Ca 0.26 0.06 -0.44 0.00 0.11 0.00 0.00 57.88 57.88 2otr h LEU 61 Cb 0.91 0.15 0.03 0.00 -0.44 0.00 0.00 40.66 41.31 2otr h LEU 61 CO 0.36 -0.11 -0.13 -0.54 -4.11 0.00 0.00 178.44 173.92 2otr s LYS 62 N -6.18 2.82 0.16 0.17 1.02 -1.25 -4.64 119.74 111.83 2otr s LYS 62 Ca -0.14 -0.79 0.17 0.00 0.02 0.00 0.00 55.97 55.23 2otr s LYS 62 Cb 0.10 -2.59 0.78 0.00 -0.52 0.00 0.00 37.83 35.60 2otr s LYS 62 CO 0.68 -0.41 1.54 -0.35 -0.92 0.00 0.00 175.35 175.88 2otr n PRO 63 N -2.10 0.10 -2.73 -1.68 -0.04 -1.26 -3.40 135.00 123.90 2otr n PRO 63 Ca 0.05 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2otr n PRO 63 Cb 0.59 -1.74 0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2otr n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2otr n ASP 64 N -1.94 -0.48 -3.66 3.54 2.03 -1.26 -5.10 116.55 109.68 2otr n ASP 64 Ca 0.01 -2.72 -0.09 0.00 0.52 0.00 0.00 54.79 52.52 2otr n ASP 64 Cb 0.14 0.40 -0.09 0.00 -0.72 0.00 0.00 41.12 40.85 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2otr s LEU 65 N -3.02 -0.58 0.26 -2.67 1.02 -1.22 -4.75 118.68 107.73 2otr s LEU 65 Ca 0.25 1.26 0.07 0.00 0.02 0.00 0.00 54.13 55.73 2otr s LEU 65 Cb 0.41 1.96 -0.03 0.00 0.02 0.00 0.00 46.19 48.55 2otr s LEU 65 CO -0.04 -0.22 0.26 -1.48 0.02 0.00 0.00 176.35 174.89 2otr s LEU 66 N 1.48 3.91 -0.27 1.79 0.05 -0.09 -3.40 118.68 122.15 2otr s LEU 66 Ca -0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 2otr s LEU 66 Cb -0.06 -2.47 0.14 0.00 -2.05 0.00 0.00 46.19 41.74 2otr s LEU 66 CO -0.16 -0.11 0.33 -0.22 -0.55 0.00 0.00 176.35 175.64 2otr s LEU 67 N -3.91 -0.42 -0.12 1.48 0.20 -0.69 -2.23 118.68 112.99 2otr s LEU 67 Ca 0.35 -0.46 -0.20 0.00 0.69 0.00 0.00 54.13 54.51 2otr s LEU 67 Cb -0.08 0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 46.37 2otr s LEU 67 CO 0.26 -0.36 0.56 -0.69 -0.29 0.00 0.00 176.35 175.84 2otr s VAL 68 N 2.43 5.12 0.19 1.68 1.01 -0.70 -2.29 120.40 127.84 2otr s VAL 68 Ca 0.10 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 2otr s VAL 68 Cb -0.14 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2otr s VAL 68 CO -0.27 0.27 0.37 -0.72 0.00 0.00 0.00 175.10 174.74 2otr s TYR 69 N 0.90 0.28 -0.11 5.22 1.13 -0.75 0.16 117.35 124.19 2otr s TYR 69 Ca 0.29 -0.64 -0.05 0.00 -1.41 0.00 0.00 57.07 55.27 2otr s TYR 69 Cb -0.16 0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.84 2otr s TYR 69 CO 0.12 -0.81 0.23 -1.14 -2.51 0.00 0.00 175.55 171.45 2otr s GLN 70 N -3.96 0.15 0.27 -3.49 0.74 0.44 -2.84 119.66 110.97 2otr s GLN 70 Ca 0.16 0.61 -0.09 0.00 0.05 0.00 0.00 55.36 56.10 2otr s GLN 70 Cb 0.02 -0.11 -0.07 0.00 1.10 0.00 0.00 33.01 33.95 2otr s GLN 70 CO 0.01 -0.24 0.59 0.42 -0.55 0.00 0.00 175.29 175.52 2otr s ILE 71 N 1.89 4.93 -0.31 -2.34 1.09 -1.26 -2.08 121.20 123.12 2otr s ILE 71 Ca -0.03 0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.95 2otr s ILE 71 Cb -0.11 -3.66 0.08 0.00 -1.06 0.00 0.00 42.46 37.71 2otr s ILE 71 CO -0.08 -0.20 -0.01 -1.59 -0.10 0.00 0.00 174.94 172.96 2otr s LYS 72 N -3.15 1.73 0.60 2.79 0.00 -0.60 -4.95 119.74 116.16 2otr s LYS 72 Ca 0.47 -1.63 0.32 0.00 0.00 0.00 0.00 55.97 55.13 2otr s LYS 72 Cb -0.11 -3.03 1.90 0.00 0.00 0.00 0.00 37.83 36.59 2otr s LYS 72 CO 0.25 -0.79 2.26 0.87 0.00 0.00 0.00 175.35 177.93 2otr h LYS 73 N 7.70 0.00 -0.81 1.78 1.57 -1.95 0.83 116.57 125.69 2otr h LYS 73 Ca -0.10 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.86 2otr h LYS 73 Cb 1.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 2otr h LYS 73 CO 0.49 0.00 0.54 -0.56 -0.57 0.00 0.00 179.45 179.35 2otr h GLN 74 N 0.00 0.34 0.00 3.15 3.07 -1.98 -3.13 115.11 116.55 2otr h GLN 74 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2otr h GLN 74 Cb 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.52 2otr h GLN 74 CO -0.00 0.23 -0.23 -0.85 0.09 0.00 0.00 178.83 178.06 2otr n GLU 75 N -4.47 0.00 -3.47 0.06 0.28 -0.80 -5.06 120.64 107.18 2otr n GLU 75 Ca 0.16 -0.66 -0.23 0.00 -0.16 0.00 0.00 57.16 56.27 2otr n GLU 75 Cb 0.63 -0.43 0.01 0.00 1.43 0.00 0.00 31.44 33.09 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 -5.93 -3.96 -1.84 4.13 0.28 -4.87 115.26 103.07 2otr n ASN 76 Ca 0.00 -0.38 -0.16 0.00 1.68 0.00 0.00 54.58 55.72 2otr n ASN 76 Cb 0.59 -2.74 -0.14 0.00 -1.54 0.00 0.00 39.78 35.95 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 0.41 -0.85 3.41 2.01 -1.09 -2.94 115.64 114.10 2otr s THR 77 Ca 0.15 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 2otr s THR 77 Cb -0.02 -0.35 0.18 0.00 0.01 0.00 0.00 72.50 72.32 2otr s THR 77 CO 0.85 0.10 0.90 -0.22 -0.69 0.00 0.00 174.62 175.56 2otr s LEU 78 N -0.17 6.06 -0.50 4.42 0.20 0.59 -1.56 118.68 127.72 2otr s LEU 78 Ca 0.02 -2.39 -0.22 0.00 0.69 0.00 0.00 54.13 52.23 2otr s LEU 78 Cb -0.02 -2.29 0.04 0.00 -0.43 0.00 0.00 46.19 43.49 2otr s LEU 78 CO -0.00 -0.78 0.77 0.12 -0.29 0.00 0.00 176.35 176.17 2otr s PHE 79 N 1.23 2.95 1.10 5.38 5.36 -0.88 -0.19 117.98 132.93 2otr s PHE 79 Ca 0.23 -0.16 -0.13 0.00 -0.96 0.00 0.00 56.93 55.91 2otr s PHE 79 Cb -0.09 -3.73 0.25 0.00 -0.34 0.00 0.00 43.02 39.11 2otr s PHE 79 CO -0.08 -1.12 1.05 -0.51 -1.46 0.00 0.00 175.22 173.09 2otr s LEU 80 N 3.26 1.10 0.00 6.12 1.43 -0.84 -0.42 118.68 129.34 2otr s LEU 80 Ca 0.24 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2otr s LEU 80 Cb -0.15 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2otr s LEU 80 CO 0.17 -3.82 0.00 0.52 0.23 0.00 0.00 176.35 173.46 2otr n VAL 81 N -4.65 0.01 -4.45 -1.59 0.31 0.42 -4.21 118.33 104.17 2otr n VAL 81 Ca 0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 2otr n VAL 81 Cb 0.55 -0.42 -0.08 0.00 -0.91 0.00 0.00 33.84 32.99 2otr n VAL 81 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2otr s ARG 82 N -1.02 1.88 -0.29 5.55 1.81 -0.54 -2.74 118.95 123.62 2otr s ARG 82 Ca 0.00 -2.14 -0.27 0.00 -1.72 0.00 0.00 55.73 51.60 2otr s ARG 82 Cb 0.00 -0.33 0.19 0.00 -0.45 0.00 0.00 34.95 34.36 2otr s ARG 82 CO 0.00 -0.54 1.38 -1.17 -0.68 0.00 0.00 175.30 174.29 2otr s LEU 83 N -3.54 -0.08 0.00 2.53 0.20 -1.26 -1.72 118.68 114.81 2otr s LEU 83 Ca 0.28 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.22 2otr s LEU 83 Cb 0.02 1.16 0.00 0.00 -0.43 0.00 0.00 46.19 46.94 2otr s LEU 83 CO 0.18 -0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.81 2otr n GLY 84 N 1.16 0.56 3.19 7.98 0.00 -0.95 -4.71 105.19 112.42 2otr n GLY 84 Ca -0.06 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.17 0.50 1.61 0.15 -1.26 -0.91 113.70 109.61 2otr s SER 85 Ca 0.00 0.16 0.14 0.00 0.70 0.00 0.00 55.95 56.95 2otr s SER 85 Cb 0.00 0.37 1.18 0.00 -1.71 0.00 0.00 66.02 65.86 2otr s SER 85 CO 0.00 -0.33 2.12 0.45 1.20 0.00 0.00 173.24 176.68 2otr h HIS 86 N 4.48 0.12 0.13 3.44 3.86 -1.96 0.08 115.15 125.31 2otr h HIS 86 Ca -0.29 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.64 2otr h HIS 86 Cb 1.18 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 29.63 2otr h HIS 86 CO 0.51 0.07 -1.24 0.77 0.86 0.00 0.00 177.93 178.90 2otr h SER 87 N 0.13 0.62 0.32 2.45 0.02 -1.97 -2.55 113.55 112.57 2otr h SER 87 Ca 0.05 -0.61 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 2otr h SER 87 Cb 0.04 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2otr h SER 87 CO -0.01 1.45 -0.15 -0.33 -1.14 0.00 0.00 176.83 176.65 2otr h GLU 88 N 0.15 -0.41 0.00 3.45 4.39 -1.75 -3.37 114.58 117.04 2otr h GLU 88 Ca -0.16 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2otr h GLU 88 Cb 1.94 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2otr h GLU 88 CO 0.22 -0.08 0.00 1.28 -1.16 0.00 0.00 179.01 179.27 2otr n LEU 89 N -5.11 0.13 -0.09 1.33 4.32 -0.06 -5.00 117.00 112.52 2otr n LEU 89 Ca -0.09 0.79 0.16 0.00 -0.02 0.00 0.00 56.01 56.84 2otr n LEU 89 Cb 0.27 -0.39 0.87 0.00 -1.62 0.00 0.00 43.42 42.55 2otr n LEU 89 CO 0.28 -0.39 1.06 0.49 -1.22 0.00 0.00 177.39 177.62