#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otr n LEU 2 N 0.00 0.00 0.00 4.03 -0.00 -1.26 -4.94 117.00 114.83 2otr n LEU 2 Ca 0.00 -2.59 -0.06 0.00 -0.00 0.00 0.00 56.01 53.36 2otr n LEU 2 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 43.27 2otr n LEU 2 CO 0.00 -0.60 -0.05 0.41 -0.00 0.00 0.00 177.39 177.15 2otr n THR 3 N -1.83 0.00 -4.26 1.47 -1.04 -1.22 -4.90 114.28 102.51 2otr n THR 3 Ca 0.03 -0.47 -0.24 0.00 -2.04 0.00 0.00 64.05 61.32 2otr n THR 3 Cb 0.58 0.10 -0.17 0.00 -1.82 0.00 0.00 70.33 69.02 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 -1.38 0.91 0.31 12.58 1.09 -1.26 -1.34 121.20 132.12 2otr s ILE 4 Ca 0.00 -0.30 0.06 0.00 -1.10 0.00 0.00 60.65 59.31 2otr s ILE 4 Cb 0.00 -0.89 -0.06 0.00 -1.06 0.00 0.00 42.46 40.45 2otr s ILE 4 CO 0.00 0.32 -0.03 -1.61 -0.10 0.00 0.00 174.94 173.52 2otr s GLU 5 N 1.07 1.66 0.06 2.79 0.41 -0.63 -4.96 118.70 119.10 2otr s GLU 5 Ca -0.08 -1.87 -0.03 0.00 -0.41 0.00 0.00 54.97 52.58 2otr s GLU 5 Cb -0.14 -1.23 -0.03 0.00 -1.78 0.00 0.00 34.13 30.95 2otr s GLU 5 CO -0.01 -0.01 0.03 0.95 -0.49 0.00 0.00 175.26 175.74 2otr s THR 6 N -2.98 0.19 0.38 3.63 -4.23 -1.26 -2.42 115.64 108.96 2otr s THR 6 Ca 0.32 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2otr s THR 6 Cb 0.05 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 2otr s THR 6 CO 0.14 -0.89 0.05 -0.55 -0.54 0.00 0.00 174.62 172.84 2otr s SER 7 N -2.86 3.02 0.15 3.99 0.15 -1.26 -4.96 113.70 111.94 2otr s SER 7 Ca 0.06 -1.46 -0.15 0.00 0.70 0.00 0.00 55.95 55.09 2otr s SER 7 Cb 0.07 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 2otr s SER 7 CO -0.10 -0.66 1.74 0.07 1.20 0.00 0.00 173.24 175.49 2otr h LYS 8 N 1.88 0.66 -0.10 5.44 2.10 -1.98 -2.27 116.57 122.29 2otr h LYS 8 Ca -0.41 -0.09 -0.03 0.00 -2.00 0.00 0.00 60.65 58.12 2otr h LYS 8 Cb 1.26 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.46 2otr h LYS 8 CO 0.71 0.55 -0.08 0.87 -2.00 0.00 0.00 179.45 179.49 2otr h LYS 9 N 0.61 0.15 -0.25 0.07 1.57 -1.97 -2.06 116.57 114.70 2otr h LYS 9 Ca 0.16 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2otr h LYS 9 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2otr h LYS 9 CO -0.02 0.25 -0.29 0.35 -0.57 0.00 0.00 179.45 179.16 2otr h PHE 10 N 0.15 0.57 -0.00 -1.35 3.57 -1.40 -2.73 116.94 115.74 2otr h PHE 10 Ca 0.03 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.30 2otr h PHE 10 Cb 0.25 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2otr h PHE 10 CO 0.00 0.74 -0.49 -0.44 -2.23 0.00 0.00 178.31 175.90 2otr h ASP 11 N 0.43 0.01 1.60 0.41 3.32 -0.97 -1.83 116.42 119.39 2otr h ASP 11 Ca 0.06 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2otr h ASP 11 Cb 0.73 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2otr h ASP 11 CO 0.06 0.50 -0.09 0.11 -1.72 0.00 0.00 179.24 178.10 2otr h LYS 12 N 0.01 0.00 0.06 3.56 6.56 -1.26 -2.74 116.57 122.76 2otr h LYS 12 Ca -0.00 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.34 2otr h LYS 12 Cb 0.87 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.51 2otr h LYS 12 CO 0.06 0.09 -1.28 0.22 -2.06 0.00 0.00 179.45 176.48 2otr h ASP 13 N 0.00 0.20 -0.56 0.86 3.58 -1.20 -3.37 116.42 115.92 2otr h ASP 13 Ca -0.00 -0.74 -0.05 0.00 0.42 0.00 0.00 57.03 56.66 2otr h ASP 13 Cb 0.91 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 2otr h ASP 13 CO 0.01 1.54 0.19 0.25 -2.88 0.00 0.00 179.24 178.35 2otr h LEU 14 N -0.60 0.84 -2.43 2.28 5.85 -1.43 -2.08 115.31 117.74 2otr h LEU 14 Ca -0.31 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.30 2otr h LEU 14 Cb 1.54 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2otr h LEU 14 CO -0.05 0.80 0.14 0.07 -0.34 0.00 0.00 178.44 179.06 2otr h LYS 15 N 0.88 0.00 0.12 1.25 2.10 -1.65 0.34 116.57 119.62 2otr h LYS 15 Ca 0.20 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.53 2otr h LYS 15 Cb 0.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2otr h LYS 15 CO -0.01 0.00 -1.66 0.82 -2.00 0.00 0.00 179.45 176.61 2otr h ILE 16 N 0.00 1.01 0.09 0.07 1.08 -1.53 -3.33 117.51 114.90 2otr h ILE 16 Ca 0.04 -2.67 -0.26 0.00 -0.39 0.00 0.00 64.86 61.58 2otr h ILE 16 Cb 0.33 2.69 0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2otr h ILE 16 CO -0.00 0.81 -1.15 -0.07 -0.69 0.00 0.00 178.15 177.04 2otr h LEU 17 N 0.07 0.49 -1.68 1.44 3.38 -1.08 -3.23 115.31 114.70 2otr h LEU 17 Ca -0.29 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.25 2otr h LEU 17 Cb 2.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 2otr h LEU 17 CO 0.15 1.33 0.30 1.62 0.09 0.00 0.00 178.44 181.93 2otr h VAL 18 N 0.13 0.99 -0.00 1.22 3.04 -0.49 -0.55 116.25 120.58 2otr h VAL 18 Ca -0.12 -0.14 -0.16 0.00 -1.01 0.00 0.00 66.70 65.27 2otr h VAL 18 Cb 1.85 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 2otr h VAL 18 CO 0.19 0.07 -0.75 0.50 -1.01 0.00 0.00 177.57 176.58 2otr h LYS 19 N 0.41 0.04 -0.88 4.17 3.64 -1.66 -3.14 116.57 119.15 2otr h LYS 19 Ca 0.19 -0.03 -0.46 0.00 -1.27 0.00 0.00 60.65 59.08 2otr h LYS 19 Cb 0.26 0.01 -0.27 0.00 -0.41 0.00 0.00 32.23 31.81 2otr h LYS 19 CO -0.05 0.77 0.52 0.09 -2.27 0.00 0.00 179.45 178.51 2otr n ASN 20 N -3.67 3.51 -0.92 4.20 3.02 -0.31 -4.94 115.26 116.16 2otr n ASN 20 Ca -0.01 -3.65 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 2otr n ASN 20 Cb 0.73 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2otr n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2otr n GLY 21 N -1.15 -1.79 2.94 7.41 0.00 -0.63 -5.01 105.19 106.97 2otr n GLY 21 Ca 0.55 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.29 1.22 1.61 2.19 -1.09 -4.71 117.98 116.91 2otr s PHE 22 Ca 0.00 0.11 -0.20 0.00 0.33 0.00 0.00 56.93 57.16 2otr s PHE 22 Cb 0.00 0.05 0.31 0.00 -1.31 0.00 0.00 43.02 42.07 2otr s PHE 22 CO 0.00 -0.18 0.93 -3.47 1.83 0.00 0.00 175.22 174.33 2otr n ASP 23 N 4.35 -2.78 -0.06 6.13 2.03 -1.26 -3.85 116.55 121.12 2otr n ASP 23 Ca 0.08 -1.00 -0.07 0.00 0.52 0.00 0.00 54.79 54.32 2otr n ASP 23 Cb 0.61 -0.92 -0.09 0.00 -0.72 0.00 0.00 41.12 40.00 2otr n ASP 23 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2otr n LEU 24 N 0.00 0.52 0.20 -2.67 4.32 -1.26 -4.49 117.00 113.62 2otr n LEU 24 Ca 0.14 -0.01 0.07 0.00 -0.02 0.00 0.00 56.01 56.18 2otr n LEU 24 Cb 0.55 0.15 0.42 0.00 -1.62 0.00 0.00 43.42 42.92 2otr n LEU 24 CO 0.37 0.38 0.75 0.50 -1.22 0.00 0.00 177.39 178.17 2otr h LYS 25 N 0.00 0.00 -0.89 3.23 3.64 -2.01 -3.04 116.57 117.49 2otr h LYS 25 Ca -0.33 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.13 2otr h LYS 25 Cb 1.71 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.47 2otr h LYS 25 CO 0.01 0.31 0.58 1.37 -2.27 0.00 0.00 179.45 179.45 2otr h LEU 26 N 0.00 0.84 -0.97 5.20 8.10 -1.98 -1.25 115.31 125.25 2otr h LEU 26 Ca -0.00 0.02 -0.06 0.00 0.11 0.00 0.00 57.88 57.95 2otr h LEU 26 Cb 0.76 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.80 2otr h LEU 26 CO 0.04 0.52 0.11 0.25 -4.11 0.00 0.00 178.44 175.25 2otr h LEU 27 N 0.94 0.81 -2.28 0.17 6.46 -1.80 -2.06 115.31 117.55 2otr h LEU 27 Ca 0.40 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 2otr h LEU 27 Cb 0.32 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2otr h LEU 27 CO -0.16 0.80 0.02 1.88 -0.62 0.00 0.00 178.44 180.36 2otr h TYR 28 N 0.82 0.00 0.03 1.25 -1.99 -1.34 -1.52 116.97 114.22 2otr h TYR 28 Ca 0.18 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.63 2otr h TYR 28 Cb 0.33 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.03 2otr h TYR 28 CO 0.02 0.00 -1.52 0.87 -0.00 0.00 0.00 178.16 177.53 2otr h LYS 29 N 0.00 0.06 0.00 4.88 1.57 -1.31 -3.31 116.57 118.46 2otr h LYS 29 Ca 0.01 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2otr h LYS 29 Cb 0.06 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2otr h LYS 29 CO -0.00 0.77 -0.06 0.28 -0.57 0.00 0.00 179.45 179.87 2otr h VAL 30 N 0.02 0.22 -0.94 0.50 2.07 -0.71 -2.93 116.25 114.48 2otr h VAL 30 Ca -0.22 -0.50 0.27 0.00 0.82 0.00 0.00 66.70 67.07 2otr h VAL 30 Cb 1.96 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 33.10 2otr h VAL 30 CO 0.11 0.06 0.71 1.62 0.02 0.00 0.00 177.57 180.08 2otr h VAL 31 N 0.00 0.47 -0.26 2.57 3.04 -1.55 0.24 116.25 120.76 2otr h VAL 31 Ca -0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.52 2otr h VAL 31 Cb 0.40 0.50 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2otr h VAL 31 CO 0.01 0.00 -0.53 1.23 -1.01 0.00 0.00 177.57 177.27 2otr h GLY 32 N 0.00 0.84 2.00 3.17 0.00 -1.77 -2.57 103.07 104.73 2otr h GLY 32 Ca 0.45 -0.96 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 2otr h GLY 32 CO -0.00 0.87 -0.61 3.43 0.00 0.00 0.00 176.54 180.22 2otr h ASN 33 N 0.59 0.00 0.74 0.19 2.35 -0.81 -3.13 115.58 115.51 2otr h ASN 33 Ca 0.02 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 2otr h ASN 33 Cb 1.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 2otr h ASN 33 CO 0.11 0.61 -0.61 -0.07 -1.65 0.00 0.00 177.43 175.82 2otr h LEU 34 N 0.00 0.00 -0.07 1.61 3.38 -0.98 0.91 115.31 120.16 2otr h LEU 34 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2otr h LEU 34 Cb 1.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 2otr h LEU 34 CO 0.08 0.61 -0.94 0.00 0.09 0.00 0.00 178.44 178.28 2otr h ALA 35 N 1.39 0.42 0.04 1.53 0.00 -1.48 -3.35 119.26 117.82 2otr h ALA 35 Ca -0.01 -0.85 -0.38 0.00 0.00 0.00 0.00 54.91 53.67 2otr h ALA 35 Cb 1.15 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2otr h ALA 35 CO 0.08 1.17 -2.28 0.25 0.00 0.00 0.00 179.25 178.47 2otr n THR 36 N -3.38 1.59 -2.94 0.00 -2.24 -1.18 -5.05 114.28 101.07 2otr n THR 36 Ca 0.00 -0.63 -0.02 0.00 -2.27 0.00 0.00 64.05 61.13 2otr n THR 36 Cb 0.90 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 -3.29 -1.54 -0.12 -0.78 1.02 0.31 -5.01 120.64 111.24 2otr n GLU 37 Ca -0.39 1.62 -0.21 0.00 -0.02 0.00 0.00 57.16 58.16 2otr n GLU 37 Cb 1.02 -5.56 -0.07 0.00 -0.02 0.00 0.00 31.44 26.82 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 -1.35 0.56 0.00 3.49 6.02 -1.26 -4.92 117.38 119.93 2otr n GLN 38 Ca 0.03 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2otr n GLN 38 Cb 0.48 -1.46 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 -4.34 0.00 -4.22 -1.09 -0.04 -1.26 -4.93 135.00 119.12 2otr n PRO 39 Ca -0.37 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 62.76 2otr n PRO 39 Cb 0.73 -0.44 -0.03 0.00 -0.04 0.00 0.00 33.50 33.72 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 -0.79 -1.72 -1.70 1.53 7.99 -1.26 -4.18 117.00 116.87 2otr n LEU 40 Ca 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 56.01 54.98 2otr n LEU 40 Cb 0.00 -2.08 0.00 0.00 -0.11 0.00 0.00 43.42 41.23 2otr n LEU 40 CO 0.00 0.30 -0.42 0.00 -1.51 0.00 0.00 177.39 175.76 2otr n ALA 41 N -4.39 -2.16 0.27 -1.18 0.00 -1.01 0.73 120.51 112.78 2otr n ALA 41 Ca 0.05 0.42 0.13 0.00 0.00 0.00 0.00 53.44 54.04 2otr n ALA 41 Cb 0.50 -1.34 0.79 0.00 0.00 0.00 0.00 19.45 19.40 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 2.97 0.00 0.00 0.00 0.11 -1.93 1.02 132.00 134.17 2otr h PRO 42 Ca 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 2otr h PRO 42 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2otr h PRO 42 CO 0.00 0.07 -0.83 1.57 -0.21 0.00 0.00 178.00 178.60 2otr h LYS 43 N 0.00 0.07 0.00 1.05 -0.00 -1.93 -3.40 116.57 112.36 2otr h LYS 43 Ca -0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.58 2otr h LYS 43 Cb 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.42 2otr h LYS 43 CO 0.01 0.86 -0.44 0.66 -0.00 0.00 0.00 179.45 180.54 2otr n TYR 44 N -3.61 0.00 -2.47 0.07 4.01 -0.82 -5.01 117.16 109.33 2otr n TYR 44 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 2otr n TYR 44 Cb 0.79 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 -3.66 -2.06 -1.48 -0.72 5.02 0.35 -4.70 118.16 110.89 2otr n LYS 45 Ca -0.06 0.81 0.18 0.00 -2.02 0.00 0.00 58.31 57.22 2otr n LYS 45 Cb 0.23 -5.28 -0.10 0.00 -0.02 0.00 0.00 35.03 29.86 2otr n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2otr n ASP 46 N -1.40 -8.12 -3.57 4.39 2.03 -1.23 -4.93 116.55 103.73 2otr n ASP 46 Ca -0.17 1.46 -0.06 0.00 0.52 0.00 0.00 54.79 56.54 2otr n ASP 46 Cb 0.64 -5.08 -0.02 0.00 -0.72 0.00 0.00 41.12 35.94 2otr n ASP 46 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2otr s HIS 47 N -4.26 -0.22 0.80 -0.67 3.76 -1.26 -5.06 115.29 108.38 2otr s HIS 47 Ca 0.00 0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 2otr s HIS 47 Cb 0.00 0.53 0.07 0.00 1.11 0.00 0.00 32.58 34.30 2otr s HIS 47 CO 0.00 -0.39 1.09 -1.25 -0.85 0.00 0.00 174.74 173.34 2otr s PRO 48 N -2.77 2.04 -0.18 8.40 0.04 -1.26 -4.23 135.00 137.03 2otr s PRO 48 Ca 0.08 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.16 2otr s PRO 48 Cb -0.01 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2otr s PRO 48 CO -0.06 -1.78 -0.22 -0.11 0.04 0.00 0.00 177.00 174.86 2otr n LEU 49 N -3.61 1.54 0.00 -3.56 0.00 -1.26 -4.96 117.00 105.15 2otr n LEU 49 Ca 0.09 0.18 0.08 0.00 0.00 0.00 0.00 56.01 56.35 2otr n LEU 49 Cb 0.53 -0.55 -0.02 0.00 0.00 0.00 0.00 43.42 43.39 2otr n LEU 49 CO 0.54 0.44 -0.11 0.29 0.00 0.00 0.00 177.39 178.55 2otr n LYS 50 N -3.70 -1.20 -1.90 1.96 4.76 -1.14 -4.98 118.16 111.96 2otr n LYS 50 Ca -0.35 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 2otr n LYS 50 Cb 0.76 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 2otr n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2otr n GLY 51 N -1.76 0.52 2.03 0.72 0.00 -1.26 -4.14 105.19 101.29 2otr n GLY 51 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.85 0.34 2.85 -0.02 0.00 -1.26 -4.99 105.19 101.26 2otr n GLY 52 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.18 2otr n GLY 52 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2otr s LEU 53 N -0.38 -0.31 0.09 0.99 0.05 -1.26 -5.03 118.68 112.84 2otr s LEU 53 Ca 0.00 -0.11 0.14 0.00 0.05 0.00 0.00 54.13 54.21 2otr s LEU 53 Cb 0.00 0.57 -0.13 0.00 -2.05 0.00 0.00 46.19 44.58 2otr s LEU 53 CO 0.00 -0.04 0.98 0.11 -0.55 0.00 0.00 176.35 176.85 2otr h LYS 54 N 5.80 0.00 -0.59 1.48 1.57 -1.94 -3.02 116.57 119.87 2otr h LYS 54 Ca -0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2otr h LYS 54 Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2otr h LYS 54 CO -0.09 0.48 0.20 -0.44 -0.57 0.00 0.00 179.45 179.03 2otr h ASP 55 N 0.00 0.85 -4.21 0.86 3.32 -1.96 -3.44 116.42 111.84 2otr h ASP 55 Ca -0.14 -0.20 -0.53 0.00 0.02 0.00 0.00 57.03 56.18 2otr h ASP 55 Cb 1.67 -0.22 0.18 0.00 0.22 0.00 0.00 39.33 41.17 2otr h ASP 55 CO 0.07 0.82 0.33 -0.36 -1.72 0.00 0.00 179.24 178.38 2otr s PHE 56 N -5.45 1.82 0.22 4.55 0.40 -1.26 -3.32 117.98 114.94 2otr s PHE 56 Ca -0.13 1.68 -0.22 0.00 -0.60 0.00 0.00 56.93 57.66 2otr s PHE 56 Cb 0.13 -3.46 0.07 0.00 0.51 0.00 0.00 43.02 40.26 2otr s PHE 56 CO 0.80 -2.81 0.95 1.03 0.70 0.00 0.00 175.22 175.90 2otr s ARG 57 N -4.18 1.48 -0.30 0.44 0.52 0.94 -4.19 118.95 113.66 2otr s ARG 57 Ca 0.72 -0.91 -0.09 0.00 -0.52 0.00 0.00 55.73 54.94 2otr s ARG 57 Cb -0.28 0.44 0.14 0.00 0.52 0.00 0.00 34.95 35.77 2otr s ARG 57 CO 0.51 -0.69 0.63 -2.00 0.02 0.00 0.00 175.30 173.78 2otr s GLU 58 N -2.64 0.57 0.35 3.54 2.12 -1.26 -1.25 118.70 120.13 2otr s GLU 58 Ca 0.17 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2otr s GLU 58 Cb -0.03 0.81 -0.00 0.00 0.26 0.00 0.00 34.13 35.17 2otr s GLU 58 CO 0.06 -0.25 0.02 0.00 -0.54 0.00 0.00 175.26 174.54 2otr s HIS 60 N -2.37 1.61 0.43 0.00 3.76 -1.26 -1.92 115.29 115.54 2otr s HIS 60 Ca 0.02 -2.30 0.10 0.00 -0.15 0.00 0.00 55.06 52.73 2otr s HIS 60 Cb 0.00 -1.48 0.96 0.00 1.11 0.00 0.00 32.58 33.17 2otr s HIS 60 CO 0.02 -0.78 2.05 1.37 -0.85 0.00 0.00 174.74 176.55 2otr h LEU 61 N 6.36 0.38 -9.90 0.89 8.10 -1.87 -2.68 115.31 116.61 2otr h LEU 61 Ca 0.10 -0.01 -0.54 0.00 0.11 0.00 0.00 57.88 57.54 2otr h LEU 61 Cb 0.91 -0.09 -0.07 0.00 -0.44 0.00 0.00 40.66 40.97 2otr h LEU 61 CO 0.42 0.27 -0.50 -0.54 -4.11 0.00 0.00 178.44 173.98 2otr s LYS 62 N -5.41 2.36 0.17 0.17 1.02 -1.26 -4.66 119.74 112.13 2otr s LYS 62 Ca -0.08 -1.63 0.17 0.00 0.02 0.00 0.00 55.97 54.46 2otr s LYS 62 Cb 0.18 -2.16 0.79 0.00 -0.52 0.00 0.00 37.83 36.12 2otr s LYS 62 CO 0.73 -0.01 1.53 -0.35 -0.92 0.00 0.00 175.35 176.33 2otr n PRO 63 N -1.24 0.11 -2.76 -1.68 -0.04 -1.26 -3.52 135.00 124.60 2otr n PRO 63 Ca -0.01 0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2otr n PRO 63 Cb 0.62 -1.74 0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.95 -1.24 -3.68 3.54 8.00 -1.26 -5.11 116.55 114.85 2otr n ASP 64 Ca 0.01 -2.97 -0.10 0.00 0.71 0.00 0.00 54.79 52.44 2otr n ASP 64 Cb 0.14 0.90 -0.11 0.00 -0.02 0.00 0.00 41.12 42.03 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 -2.80 -0.27 0.42 0.64 2.96 -1.23 -4.08 118.68 114.33 2otr s LEU 65 Ca 0.25 0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 55.02 2otr s LEU 65 Cb 0.37 1.26 -0.02 0.00 0.50 0.00 0.00 46.19 48.29 2otr s LEU 65 CO -0.06 -0.21 0.66 -0.76 -1.32 0.00 0.00 176.35 174.66 2otr s LEU 66 N 1.90 3.77 -0.36 -0.68 1.02 0.21 -3.81 118.68 120.74 2otr s LEU 66 Ca -0.06 0.53 0.07 0.00 0.02 0.00 0.00 54.13 54.69 2otr s LEU 66 Cb -0.10 -3.42 0.19 0.00 0.02 0.00 0.00 46.19 42.88 2otr s LEU 66 CO -0.12 -0.52 0.63 -0.22 0.02 0.00 0.00 176.35 176.13 2otr s LEU 67 N -4.53 -1.54 0.00 1.79 0.20 -0.81 -2.71 118.68 111.09 2otr s LEU 67 Ca 0.45 -0.37 -0.19 0.00 0.69 0.00 0.00 54.13 54.71 2otr s LEU 67 Cb -0.10 1.96 -0.06 0.00 -0.43 0.00 0.00 46.19 47.56 2otr s LEU 67 CO 0.39 -0.22 0.55 -0.69 -0.29 0.00 0.00 176.35 176.09 2otr s VAL 68 N 2.26 4.92 0.03 1.68 1.01 -1.22 -2.21 120.40 126.87 2otr s VAL 68 Ca 0.14 1.14 -0.20 0.00 0.00 0.00 0.00 61.98 63.06 2otr s VAL 68 Cb -0.06 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2otr s VAL 68 CO -0.15 0.46 0.46 -0.72 0.00 0.00 0.00 175.10 175.15 2otr s TYR 69 N -0.45 -0.34 -0.07 5.22 1.13 -0.38 0.14 117.35 122.61 2otr s TYR 69 Ca 0.29 0.37 -0.00 0.00 -1.41 0.00 0.00 57.07 56.32 2otr s TYR 69 Cb -0.18 0.26 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 2otr s TYR 69 CO 0.16 -0.58 -0.03 1.14 -2.51 0.00 0.00 175.55 173.73 2otr s GLN 70 N -2.29 0.89 -0.14 -3.49 -2.07 0.48 -0.04 119.66 113.00 2otr s GLN 70 Ca -0.06 -0.04 -0.22 0.00 -1.82 0.00 0.00 55.36 53.22 2otr s GLN 70 Cb -0.01 -1.07 -0.03 0.00 -1.09 0.00 0.00 33.01 30.81 2otr s GLN 70 CO -0.01 -0.22 0.64 0.42 -1.32 0.00 0.00 175.29 174.80 2otr s ILE 71 N 1.58 5.05 -0.58 3.63 1.09 -1.21 -2.74 121.20 128.02 2otr s ILE 71 Ca -0.00 1.26 -0.18 0.00 -1.10 0.00 0.00 60.65 60.63 2otr s ILE 71 Cb -0.13 -3.97 0.12 0.00 -1.06 0.00 0.00 42.46 37.42 2otr s ILE 71 CO -0.04 0.19 0.64 -1.59 -0.10 0.00 0.00 174.94 174.04 2otr s LYS 72 N 1.33 3.04 0.63 2.79 0.00 -0.74 -4.79 119.74 121.99 2otr s LYS 72 Ca 0.32 -1.48 0.32 0.00 0.00 0.00 0.00 55.97 55.12 2otr s LYS 72 Cb -0.16 -4.29 1.75 0.00 0.00 0.00 0.00 37.83 35.13 2otr s LYS 72 CO 0.13 -1.47 2.07 1.57 0.00 0.00 0.00 175.35 177.65 2otr h LYS 73 N 9.05 0.00 -0.95 1.78 2.10 -1.95 0.33 116.57 126.93 2otr h LYS 73 Ca -0.28 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.60 2otr h LYS 73 Cb 1.09 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.35 2otr h LYS 73 CO 1.07 0.00 0.63 0.37 -2.00 0.00 0.00 179.45 179.53 2otr h GLN 74 N 0.00 0.34 0.00 0.07 5.75 -1.98 -3.07 115.11 116.21 2otr h GLN 74 Ca 0.06 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2otr h GLN 74 Cb 0.55 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2otr h GLN 74 CO -0.00 0.22 -0.27 -0.85 -2.65 0.00 0.00 178.83 175.28 2otr n GLU 75 N -4.50 0.00 -3.56 1.69 0.28 -0.59 -5.05 120.64 108.91 2otr n GLU 75 Ca 0.21 -0.68 -0.18 0.00 -0.16 0.00 0.00 57.16 56.35 2otr n GLU 75 Cb 0.79 -0.40 0.00 0.00 1.43 0.00 0.00 31.44 33.27 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 -5.83 -4.11 -1.84 4.13 0.11 -4.90 115.26 102.81 2otr n ASN 76 Ca 0.00 -0.70 -0.23 0.00 1.68 0.00 0.00 54.58 55.33 2otr n ASN 76 Cb 0.61 -3.01 -0.15 0.00 -1.54 0.00 0.00 39.78 35.69 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 -3.05 1.19 -0.81 3.41 2.01 -1.13 -3.46 115.64 113.81 2otr s THR 77 Ca 0.06 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 2otr s THR 77 Cb -0.02 -1.01 0.17 0.00 0.01 0.00 0.00 72.50 71.65 2otr s THR 77 CO 0.85 0.34 0.86 -0.22 -0.69 0.00 0.00 174.62 175.76 2otr s LEU 78 N -0.22 5.97 -0.29 4.42 0.20 -0.45 -1.80 118.68 126.50 2otr s LEU 78 Ca 0.03 -2.24 -0.19 0.00 0.69 0.00 0.00 54.13 52.42 2otr s LEU 78 Cb -0.07 -2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 43.39 2otr s LEU 78 CO 0.00 -0.83 0.57 0.12 -0.29 0.00 0.00 176.35 175.92 2otr s PHE 79 N 1.45 3.23 1.08 5.38 5.36 -1.11 -1.60 117.98 131.78 2otr s PHE 79 Ca 0.21 0.55 -0.18 0.00 -0.96 0.00 0.00 56.93 56.55 2otr s PHE 79 Cb -0.11 -2.88 0.25 0.00 -0.34 0.00 0.00 43.02 39.94 2otr s PHE 79 CO -0.06 -0.41 1.26 -0.51 -1.46 0.00 0.00 175.22 174.04 2otr s LEU 80 N 2.47 1.92 0.00 6.12 1.43 -1.01 -0.39 118.68 129.22 2otr s LEU 80 Ca 0.23 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2otr s LEU 80 Cb -0.15 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2otr s LEU 80 CO 0.11 -3.42 0.00 0.52 0.23 0.00 0.00 176.35 173.79 2otr n VAL 81 N -4.23 0.00 -3.08 -1.59 0.31 0.38 -4.54 118.33 105.58 2otr n VAL 81 Ca 0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.30 2otr n VAL 81 Cb 0.59 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.53 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 -0.61 2.90 -0.31 5.55 0.52 -0.98 -3.25 118.95 122.77 2otr s ARG 82 Ca 0.00 -1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 2otr s ARG 82 Cb 0.00 -2.71 0.19 0.00 0.52 0.00 0.00 34.95 32.95 2otr s ARG 82 CO 0.00 -0.24 1.12 -1.17 0.02 0.00 0.00 175.30 175.02 2otr s LEU 83 N -4.39 -0.13 0.00 2.53 1.98 -1.25 -3.37 118.68 114.05 2otr s LEU 83 Ca 0.51 -0.07 0.00 0.00 -2.89 0.00 0.00 54.13 51.69 2otr s LEU 83 Cb -0.10 0.18 0.00 0.00 0.66 0.00 0.00 46.19 46.93 2otr s LEU 83 CO 0.34 -0.01 0.00 0.61 -1.89 0.00 0.00 176.35 175.39 2otr n GLY 84 N 3.60 -0.35 3.92 7.98 0.00 -1.10 -3.99 105.19 115.24 2otr n GLY 84 Ca 0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 6.40 0.04 1.61 0.15 -1.26 0.67 113.70 121.31 2otr s SER 85 Ca 0.00 0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.81 2otr s SER 85 Cb 0.00 -2.00 -0.14 0.00 -1.71 0.00 0.00 66.02 62.16 2otr s SER 85 CO 0.00 0.08 1.40 -0.74 1.20 0.00 0.00 173.24 175.18 2otr h HIS 86 N 2.66 0.28 -0.18 3.44 2.76 -1.98 0.72 115.15 122.85 2otr h HIS 86 Ca -0.46 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2otr h HIS 86 Cb 1.17 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 2otr h HIS 86 CO 0.59 0.57 0.09 0.66 -1.30 0.00 0.00 177.93 178.55 2otr h SER 87 N -0.09 0.22 0.06 3.26 4.64 -1.93 0.71 113.55 120.42 2otr h SER 87 Ca 0.03 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2otr h SER 87 Cb 0.49 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2otr h SER 87 CO 0.02 0.18 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.05 2otr h GLU 88 N 0.25 -0.07 -0.30 4.77 4.57 -1.93 -3.33 114.58 118.55 2otr h GLU 88 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2otr h GLU 88 Cb 0.02 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2otr h GLU 88 CO -0.01 -0.05 0.18 -0.07 -1.18 0.00 0.00 179.01 177.89 2otr h LEU 89 N -0.97 0.34 -0.87 1.64 4.07 -0.81 -3.49 115.31 115.22 2otr h LEU 89 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2otr h LEU 89 Cb 0.06 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2otr h LEU 89 CO 0.01 0.26 0.00 0.49 -1.08 0.00 0.00 178.44 178.12