#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 1.72 0.00 3.17 1.02 -1.26 -4.86 118.68 118.47 2otr s LEU 2 Ca 0.00 -0.27 -0.13 0.00 0.02 0.00 0.00 54.13 53.75 2otr s LEU 2 Cb 0.00 0.52 0.21 0.00 0.02 0.00 0.00 46.19 46.94 2otr s LEU 2 CO 0.00 -0.34 0.47 0.41 0.02 0.00 0.00 176.35 176.91 2otr n THR 3 N 1.53 0.00 -3.93 5.49 -1.04 -0.84 -4.37 114.28 111.12 2otr n THR 3 Ca -0.23 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.52 2otr n THR 3 Cb 0.55 -0.56 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 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 -1.61 0.86 0.38 12.58 1.09 -1.26 0.49 121.20 133.73 2otr s ILE 4 Ca 0.36 -0.20 0.08 0.00 -1.10 0.00 0.00 60.65 59.79 2otr s ILE 4 Cb -0.06 -0.90 -0.07 0.00 -1.06 0.00 0.00 42.46 40.37 2otr s ILE 4 CO 0.30 0.34 0.00 -1.61 -0.10 0.00 0.00 174.94 173.87 2otr s GLU 5 N 1.66 1.97 0.02 2.79 0.41 -0.38 -4.94 118.70 120.23 2otr s GLU 5 Ca 0.03 -1.98 -0.03 0.00 -0.41 0.00 0.00 54.97 52.58 2otr s GLU 5 Cb -0.13 -1.74 -0.01 0.00 -1.78 0.00 0.00 34.13 30.47 2otr s GLU 5 CO -0.06 0.02 0.04 0.95 -0.49 0.00 0.00 175.26 175.72 2otr s THR 6 N -2.64 0.11 0.00 3.63 -4.23 -1.26 -2.40 115.64 108.84 2otr s THR 6 Ca 0.35 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2otr s THR 6 Cb 0.06 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.44 2otr s THR 6 CO 0.18 -0.50 0.00 -0.24 -0.54 0.00 0.00 174.62 173.53 2otr n SER 7 N 1.37 1.27 -0.05 3.99 2.88 -1.26 -4.96 113.62 116.86 2otr n SER 7 Ca -0.22 -0.70 -0.14 0.00 -1.33 0.00 0.00 58.87 56.47 2otr n SER 7 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.04 -0.12 -1.46 1.79 -1.95 -2.81 116.57 112.06 2otr h LYS 8 Ca 0.00 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2otr h LYS 8 Cb 0.00 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2otr h LYS 8 CO 0.00 0.92 0.01 0.87 -1.08 0.00 0.00 179.45 180.18 2otr h LYS 9 N -0.81 0.16 -0.09 3.15 1.57 -1.98 -1.81 116.57 116.76 2otr h LYS 9 Ca -0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2otr h LYS 9 Cb 0.96 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 2otr h LYS 9 CO 0.02 0.17 -0.15 0.35 -0.57 0.00 0.00 179.45 179.26 2otr h PHE 10 N 0.16 0.33 -0.47 -1.35 3.57 -1.50 -1.67 116.94 116.01 2otr h PHE 10 Ca 0.04 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2otr h PHE 10 Cb 0.09 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2otr h PHE 10 CO 0.00 0.75 0.30 -0.44 -2.23 0.00 0.00 178.31 176.69 2otr h ASP 11 N -0.18 0.55 1.01 0.41 5.19 -1.20 -1.43 116.42 120.77 2otr h ASP 11 Ca 0.01 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2otr h ASP 11 Cb 0.72 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2otr h ASP 11 CO 0.03 0.41 0.00 0.07 -3.12 0.00 0.00 179.24 176.64 2otr h LYS 12 N 0.63 0.00 0.00 3.56 2.10 -1.38 -2.79 116.57 118.69 2otr h LYS 12 Ca 0.17 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.60 2otr h LYS 12 Cb -0.05 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.24 2otr h LYS 12 CO -0.04 0.00 -1.24 -0.44 -2.00 0.00 0.00 179.45 175.74 2otr h ASP 13 N 0.00 0.00 0.51 7.07 3.32 -0.30 -3.34 116.42 123.69 2otr h ASP 13 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 2otr h ASP 13 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.07 2otr h ASP 13 CO 0.00 0.92 -1.33 -0.07 -1.72 0.00 0.00 179.24 177.04 2otr h LEU 14 N 0.00 0.55 -2.34 1.55 3.38 -1.13 -3.20 115.31 114.11 2otr h LEU 14 Ca -0.12 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.28 2otr h LEU 14 Cb 1.81 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2otr h LEU 14 CO 0.10 1.47 0.08 0.07 0.09 0.00 0.00 178.44 180.25 2otr h LYS 15 N 0.10 0.00 0.00 1.13 2.10 -1.63 0.29 116.57 118.56 2otr h LYS 15 Ca -0.18 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.23 2otr h LYS 15 Cb 2.04 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.33 2otr h LYS 15 CO 0.22 0.00 -1.32 0.82 -2.00 0.00 0.00 179.45 177.18 2otr h ILE 16 N 0.00 1.22 0.16 0.07 1.08 -1.67 -3.32 117.51 115.04 2otr h ILE 16 Ca 0.04 -2.96 -0.31 0.00 -0.39 0.00 0.00 64.86 61.23 2otr h ILE 16 Cb 0.20 2.59 0.01 0.00 -3.07 0.00 0.00 36.82 36.55 2otr h ILE 16 CO -0.00 0.69 -1.51 -0.07 -0.69 0.00 0.00 178.15 176.57 2otr h LEU 17 N 0.00 0.52 -1.96 1.44 3.38 -1.16 -3.19 115.31 114.35 2otr h LEU 17 Ca -0.14 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.22 2otr h LEU 17 Cb 1.85 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2otr h LEU 17 CO 0.10 1.54 0.15 1.62 0.09 0.00 0.00 178.44 181.94 2otr h VAL 18 N 0.09 0.92 0.02 1.22 3.04 -0.63 -0.79 116.25 120.12 2otr h VAL 18 Ca -0.24 -0.02 -0.23 0.00 -1.01 0.00 0.00 66.70 65.20 2otr h VAL 18 Cb 2.05 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 32.17 2otr h VAL 18 CO 0.19 0.01 -1.12 0.50 -1.01 0.00 0.00 177.57 176.14 2otr h LYS 19 N 0.05 0.04 -1.01 4.17 3.11 -1.66 -3.28 116.57 118.00 2otr h LYS 19 Ca 0.10 -0.07 -0.50 0.00 -2.81 0.00 0.00 60.65 57.37 2otr h LYS 19 Cb 0.33 0.02 -0.29 0.00 -1.00 0.00 0.00 32.23 31.30 2otr h LYS 19 CO -0.01 0.97 0.64 0.09 -2.81 0.00 0.00 179.45 178.34 2otr n ASN 20 N -3.34 4.10 -1.12 4.20 3.02 -0.38 -4.92 115.26 116.82 2otr n ASN 20 Ca -0.03 -3.53 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 2otr n ASN 20 Cb 0.96 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.02 -2.16 3.15 7.41 0.00 -0.74 -4.99 105.19 106.83 2otr n GLY 21 Ca 0.57 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.45 1.01 1.61 2.19 -1.10 -4.74 117.98 116.49 2otr s PHE 22 Ca 0.00 0.28 -0.17 0.00 0.33 0.00 0.00 56.93 57.37 2otr s PHE 22 Cb 0.00 0.08 0.26 0.00 -1.31 0.00 0.00 43.02 42.05 2otr s PHE 22 CO 0.00 -0.26 0.77 -3.47 1.83 0.00 0.00 175.22 174.09 2otr n ASP 23 N 5.13 -2.52 -0.05 6.13 2.03 -1.26 -4.11 116.55 121.90 2otr n ASP 23 Ca 0.08 -0.89 -0.05 0.00 0.52 0.00 0.00 54.79 54.46 2otr n ASP 23 Cb 0.58 -0.77 -0.07 0.00 -0.72 0.00 0.00 41.12 40.14 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 0.39 0.20 -2.67 4.77 -1.26 -4.54 117.00 113.89 2otr n LEU 24 Ca 0.11 -0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.14 2otr n LEU 24 Cb 0.45 0.14 0.43 0.00 -2.33 0.00 0.00 43.42 42.11 2otr n LEU 24 CO 0.31 0.29 0.76 0.50 -1.33 0.00 0.00 177.39 177.92 2otr h LYS 25 N 0.00 0.00 -0.68 3.23 1.63 -2.00 -3.01 116.57 115.73 2otr h LYS 25 Ca -0.26 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.60 2otr h LYS 25 Cb 1.55 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.13 2otr h LYS 25 CO 0.01 0.32 0.39 1.37 -3.45 0.00 0.00 179.45 178.10 2otr h LEU 26 N 0.00 0.60 -0.21 5.20 8.10 -1.99 -2.05 115.31 124.96 2otr h LEU 26 Ca -0.00 0.02 0.01 0.00 0.11 0.00 0.00 57.88 58.02 2otr h LEU 26 Cb 0.66 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.77 2otr h LEU 26 CO 0.04 0.39 0.11 0.25 -4.11 0.00 0.00 178.44 175.12 2otr h LEU 27 N 0.74 0.16 -2.66 0.17 5.85 -1.80 -0.27 115.31 117.50 2otr h LEU 27 Ca 0.30 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2otr h LEU 27 Cb 0.15 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2otr h LEU 27 CO -0.17 0.12 -0.00 1.88 -0.34 0.00 0.00 178.44 179.94 2otr h TYR 28 N 0.23 0.00 0.00 1.25 0.05 -1.52 -0.56 116.97 116.41 2otr h TYR 28 Ca 0.09 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.59 2otr h TYR 28 Cb 0.02 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 2otr h TYR 28 CO -0.09 0.00 -1.58 -0.22 -1.05 0.00 0.00 178.16 175.22 2otr h LYS 29 N 0.00 0.00 0.00 4.88 3.64 -0.53 -3.35 116.57 121.21 2otr h LYS 29 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2otr h LYS 29 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2otr h LYS 29 CO 0.00 0.58 -0.80 0.28 -2.27 0.00 0.00 179.45 177.25 2otr h VAL 30 N 0.00 0.99 -0.65 2.00 2.07 -0.10 -3.29 116.25 117.27 2otr h VAL 30 Ca -0.23 -2.46 0.16 0.00 0.82 0.00 0.00 66.70 64.99 2otr h VAL 30 Cb 1.97 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 34.15 2otr h VAL 30 CO 0.09 0.56 0.45 -0.37 0.02 0.00 0.00 177.57 178.32 2otr h VAL 31 N 0.00 0.74 -0.17 2.57 -1.51 -1.28 0.92 116.25 117.53 2otr h VAL 31 Ca -0.04 -0.06 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 2otr h VAL 31 Cb 1.52 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2otr h VAL 31 CO 0.08 0.03 -0.06 1.23 -1.23 0.00 0.00 177.57 177.62 2otr h GLY 32 N 0.16 0.28 1.00 5.19 0.00 -1.76 -2.53 103.07 105.41 2otr h GLY 32 Ca 0.31 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 47.25 2otr h GLY 32 CO -0.05 0.14 -1.58 0.70 0.00 0.00 0.00 176.54 175.75 2otr n ASN 33 N -4.33 0.88 -0.31 0.19 3.02 0.17 -3.86 115.26 111.02 2otr n ASN 33 Ca -0.00 0.41 -0.04 0.00 -0.03 0.00 0.00 54.58 54.91 2otr n ASN 33 Cb 0.22 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.48 2otr n ASN 33 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2otr h LEU 34 N 0.00 1.10 -0.48 3.41 3.38 -0.83 0.90 115.31 122.79 2otr h LEU 34 Ca -0.24 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 2otr h LEU 34 Cb 1.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2otr h LEU 34 CO 0.07 0.92 -0.11 0.00 0.09 0.00 0.00 178.44 179.40 2otr h ALA 35 N 1.25 0.66 0.08 1.53 0.00 -1.61 -3.15 119.26 118.02 2otr h ALA 35 Ca 0.29 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 2otr h ALA 35 Cb 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.73 2otr h ALA 35 CO -0.04 0.57 -1.13 1.79 0.00 0.00 0.00 179.25 180.43 2otr h THR 36 N 0.78 1.40 -5.50 0.00 1.35 -1.60 -3.46 112.91 105.88 2otr h THR 36 Ca 0.12 -2.66 -0.35 0.00 -0.55 0.00 0.00 66.41 62.97 2otr h THR 36 Cb 0.66 2.68 0.14 0.00 -1.73 0.00 0.00 68.15 69.91 2otr h THR 36 CO 0.05 0.79 -0.67 -0.62 -0.25 0.00 0.00 175.52 174.82 2otr n GLU 37 N -3.68 -7.03 -0.10 4.72 1.02 0.31 -4.95 120.64 110.92 2otr n GLU 37 Ca -0.09 0.78 -0.19 0.00 -0.02 0.00 0.00 57.16 57.64 2otr n GLU 37 Cb 0.94 -5.67 -0.09 0.00 -0.02 0.00 0.00 31.44 26.61 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 -4.44 0.55 0.00 3.49 6.02 -1.25 -4.91 117.38 116.84 2otr n GLN 38 Ca -0.09 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2otr n GLN 38 Cb 0.59 -1.66 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 -4.43 0.00 -3.22 -1.09 -0.04 -1.26 -4.94 135.00 120.02 2otr n PRO 39 Ca -0.31 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 62.92 2otr n PRO 39 Cb 0.63 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.13 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 -2.62 -1.51 1.53 4.77 -1.26 -4.51 117.00 113.40 2otr n LEU 40 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 2otr n LEU 40 Cb 0.00 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.25 2otr n LEU 40 CO 0.00 0.30 -0.40 0.00 -1.33 0.00 0.00 177.39 175.96 2otr n ALA 41 N -3.86 -2.11 1.68 -1.18 0.00 -1.26 -2.69 120.51 111.09 2otr n ALA 41 Ca -0.07 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.91 2otr n ALA 41 Cb 0.59 -1.30 0.81 0.00 0.00 0.00 0.00 19.45 19.56 2otr n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2otr n PRO 42 N -0.02 0.79 -0.41 0.00 -0.04 -1.26 -2.40 135.00 131.66 2otr n PRO 42 Ca 0.00 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2otr n PRO 42 Cb 0.00 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 2otr n PRO 42 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2otr n LYS 43 N -1.06 3.09 0.07 0.54 0.00 -1.26 -4.79 118.16 114.76 2otr n LYS 43 Ca 0.20 -2.65 0.00 0.00 -0.00 0.00 0.00 58.31 55.86 2otr n LYS 43 Cb 0.12 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.44 2otr n LYS 43 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2otr n TYR 44 N -0.03 -1.86 -1.89 5.58 4.01 -1.17 -5.16 117.16 116.63 2otr n TYR 44 Ca 0.19 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 2otr n TYR 44 Cb 0.78 1.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.84 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 -2.91 -5.07 -1.72 -0.72 5.02 -1.01 -4.87 118.16 106.89 2otr n LYS 45 Ca 0.00 3.63 -0.40 0.00 -2.02 0.00 0.00 58.31 59.52 2otr n LYS 45 Cb 0.00 -3.87 0.02 0.00 -0.02 0.00 0.00 35.03 31.16 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 1.56 2.65 -3.62 4.39 2.03 -1.26 -4.97 116.55 117.33 2otr n ASP 46 Ca 0.00 1.07 -0.12 0.00 0.52 0.00 0.00 54.79 56.25 2otr n ASP 46 Cb 0.00 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 38.81 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 -1.23 -0.31 0.97 -0.67 3.76 -1.25 -5.08 115.29 111.47 2otr s HIS 47 Ca 0.64 0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.65 2otr s HIS 47 Cb -0.47 0.28 0.17 0.00 1.11 0.00 0.00 32.58 33.67 2otr s HIS 47 CO 0.55 -0.64 1.09 -1.25 -0.85 0.00 0.00 174.74 173.64 2otr s PRO 48 N -2.87 0.67 -0.19 8.40 0.04 -1.26 -3.94 135.00 135.86 2otr s PRO 48 Ca -0.03 0.80 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 2otr s PRO 48 Cb -0.00 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.66 2otr s PRO 48 CO -0.05 -2.64 0.03 1.28 0.04 0.00 0.00 177.00 175.66 2otr n LEU 49 N -4.15 1.85 0.00 -3.56 4.77 -1.26 -4.95 117.00 109.71 2otr n LEU 49 Ca 0.06 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 2otr n LEU 49 Cb 0.55 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2otr n LEU 49 CO 0.56 0.05 0.12 0.29 -1.33 0.00 0.00 177.39 177.08 2otr n LYS 50 N -4.48 0.54 -2.00 3.23 5.02 -1.26 -5.07 118.16 114.15 2otr n LYS 50 Ca -0.26 -2.19 -0.32 0.00 -2.02 0.00 0.00 58.31 53.52 2otr n LYS 50 Cb 0.56 2.10 0.03 0.00 -0.02 0.00 0.00 35.03 37.71 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 -0.45 5.92 0.07 0.72 0.00 -1.26 -4.10 105.19 106.08 2otr n GLY 51 Ca 0.01 -2.57 0.02 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.63 1.23 0.00 -0.02 0.00 -1.26 -4.92 105.19 99.59 2otr n GLY 52 Ca 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2otr n GLY 52 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2otr n LEU 53 N -0.44 0.00 -2.36 0.99 -0.00 -1.26 -5.00 117.00 108.92 2otr n LEU 53 Ca 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.84 2otr n LEU 53 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.84 2otr n LEU 53 CO 0.00 0.00 -0.25 0.29 -0.00 0.00 0.00 177.39 177.43 2otr n LYS 54 N 0.00 -1.74 -0.03 1.47 5.02 -1.26 -4.86 118.16 116.75 2otr n LYS 54 Ca 0.00 0.97 -0.17 0.00 -2.02 0.00 0.00 58.31 57.08 2otr n LYS 54 Cb 0.00 -5.61 -0.14 0.00 -0.02 0.00 0.00 35.03 29.26 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 -1.95 1.71 -4.88 4.39 8.00 -1.26 -4.94 116.55 117.62 2otr n ASP 55 Ca -0.23 0.17 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 2otr n ASP 55 Cb 0.68 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.55 3.46 -0.15 1.24 0.40 -1.26 -3.74 117.98 115.37 2otr s PHE 56 Ca -0.20 0.93 -0.29 0.00 -0.60 0.00 0.00 56.93 56.77 2otr s PHE 56 Cb 0.07 -2.33 0.10 0.00 0.51 0.00 0.00 43.02 41.36 2otr s PHE 56 CO 0.75 0.04 0.84 1.03 0.70 0.00 0.00 175.22 178.58 2otr s ARG 57 N -3.55 0.79 -0.04 0.44 0.52 -0.70 -4.00 118.95 112.42 2otr s ARG 57 Ca 0.49 0.38 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 2otr s ARG 57 Cb -0.10 0.38 0.01 0.00 0.52 0.00 0.00 34.95 35.75 2otr s ARG 57 CO 0.28 -0.21 -0.10 -2.00 0.02 0.00 0.00 175.30 173.30 2otr s GLU 58 N -0.73 1.12 0.25 3.54 2.12 -1.25 0.16 118.70 123.91 2otr s GLU 58 Ca -0.04 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 54.98 2otr s GLU 58 Cb -0.02 -1.02 -0.00 0.00 0.26 0.00 0.00 34.13 33.35 2otr s GLU 58 CO 0.04 0.09 0.04 0.00 -0.54 0.00 0.00 175.26 174.89 2otr s HIS 60 N -2.20 1.54 0.43 0.00 3.76 -1.26 -0.76 115.29 116.79 2otr s HIS 60 Ca 0.06 -2.44 0.09 0.00 -0.15 0.00 0.00 55.06 52.62 2otr s HIS 60 Cb 0.00 -1.29 0.93 0.00 1.11 0.00 0.00 32.58 33.34 2otr s HIS 60 CO 0.04 -0.78 2.07 1.37 -0.85 0.00 0.00 174.74 176.60 2otr h LEU 61 N 5.80 0.39 -8.99 0.89 -0.00 -1.85 -3.40 115.31 108.16 2otr h LEU 61 Ca 0.21 -0.01 -0.69 0.00 -0.00 0.00 0.00 57.88 57.39 2otr h LEU 61 Cb 0.89 -0.10 -0.22 0.00 -0.00 0.00 0.00 40.66 41.24 2otr h LEU 61 CO 0.43 0.28 -0.76 -0.75 -0.00 0.00 0.00 178.44 177.64 2otr s LYS 62 N -5.42 2.46 0.66 0.17 2.47 -1.26 -4.88 119.74 113.94 2otr s LYS 62 Ca -0.08 -0.73 0.28 0.00 -1.56 0.00 0.00 55.97 53.88 2otr s LYS 62 Cb 0.17 -2.39 1.51 0.00 -1.46 0.00 0.00 37.83 35.67 2otr s LYS 62 CO 0.72 0.61 1.86 -1.00 0.16 0.00 0.00 175.35 177.70 2otr h PRO 63 N 5.06 0.00 -0.40 4.03 0.13 -2.00 -0.45 132.00 138.37 2otr h PRO 63 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 2otr h PRO 63 Cb 1.16 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.94 2otr h PRO 63 CO 0.51 0.00 -0.91 -3.47 -0.23 0.00 0.00 178.00 173.90 2otr n ASP 64 N -2.93 2.60 -3.84 1.44 -0.08 -1.26 -5.07 116.55 107.41 2otr n ASP 64 Ca -0.01 -2.89 -0.10 0.00 -1.51 0.00 0.00 54.79 50.29 2otr n ASP 64 Cb 0.44 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.44 2otr n ASP 64 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2otr s LEU 65 N -3.02 0.50 0.47 -2.67 1.43 -0.18 -4.32 118.68 110.90 2otr s LEU 65 Ca 0.38 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2otr s LEU 65 Cb 0.37 1.69 -0.01 0.00 0.03 0.00 0.00 46.19 48.27 2otr s LEU 65 CO -0.04 -0.98 0.09 -0.76 0.23 0.00 0.00 176.35 174.89 2otr s LEU 66 N -2.92 2.07 -0.30 1.79 1.02 0.31 -4.19 118.68 116.46 2otr s LEU 66 Ca 0.13 -1.73 -0.07 0.00 0.02 0.00 0.00 54.13 52.48 2otr s LEU 66 Cb 0.01 -0.30 0.19 0.00 0.02 0.00 0.00 46.19 46.10 2otr s LEU 66 CO -0.02 -0.97 0.91 -0.22 0.02 0.00 0.00 176.35 176.07 2otr s LEU 67 N -3.74 -0.78 0.03 1.79 0.20 0.06 -2.44 118.68 113.80 2otr s LEU 67 Ca 0.13 0.20 -0.19 0.00 0.69 0.00 0.00 54.13 54.96 2otr s LEU 67 Cb 0.01 1.54 -0.06 0.00 -0.43 0.00 0.00 46.19 47.24 2otr s LEU 67 CO 0.09 -0.14 0.55 -0.69 -0.29 0.00 0.00 176.35 175.87 2otr s VAL 68 N 2.92 4.84 0.32 1.68 1.01 -0.60 -1.10 120.40 129.47 2otr s VAL 68 Ca 0.17 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 2otr s VAL 68 Cb -0.07 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2otr s VAL 68 CO -0.21 0.51 0.43 -0.72 0.00 0.00 0.00 175.10 175.11 2otr s TYR 69 N -0.78 1.07 -0.14 5.22 -0.85 0.12 0.15 117.35 122.15 2otr s TYR 69 Ca 0.29 -1.28 -0.06 0.00 -0.52 0.00 0.00 57.07 55.50 2otr s TYR 69 Cb -0.19 -0.15 0.06 0.00 0.38 0.00 0.00 41.96 42.06 2otr s TYR 69 CO 0.17 -1.06 0.30 -1.14 -1.52 0.00 0.00 175.55 172.30 2otr s GLN 70 N -3.26 0.21 0.12 -3.49 0.74 0.98 -1.72 119.66 113.25 2otr s GLN 70 Ca 0.31 0.75 -0.25 0.00 0.05 0.00 0.00 55.36 56.23 2otr s GLN 70 Cb 0.00 0.00 -0.07 0.00 1.10 0.00 0.00 33.01 34.05 2otr s GLN 70 CO 0.19 -0.24 0.76 0.42 -0.55 0.00 0.00 175.29 175.87 2otr s ILE 71 N 2.11 4.50 -0.54 -2.34 -1.09 -1.25 -2.48 121.20 120.12 2otr s ILE 71 Ca -0.02 1.64 0.04 0.00 -2.23 0.00 0.00 60.65 60.08 2otr s ILE 71 Cb -0.11 -4.11 0.14 0.00 -1.58 0.00 0.00 42.46 36.79 2otr s ILE 71 CO -0.10 0.48 0.31 -1.59 -1.23 0.00 0.00 174.94 172.81 2otr s LYS 72 N -0.83 1.89 0.64 2.79 0.00 -1.00 -4.94 119.74 118.30 2otr s LYS 72 Ca 0.36 -2.63 0.33 0.00 0.00 0.00 0.00 55.97 54.03 2otr s LYS 72 Cb -0.22 -3.07 1.80 0.00 0.00 0.00 0.00 37.83 36.35 2otr s LYS 72 CO 0.25 -1.17 2.07 0.87 0.00 0.00 0.00 175.35 177.37 2otr h LYS 73 N 6.29 0.00 -1.21 1.78 6.56 -1.96 -0.83 116.57 127.20 2otr h LYS 73 Ca -0.01 0.00 0.35 0.00 -1.06 0.00 0.00 60.65 59.93 2otr h LYS 73 Cb 0.87 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.45 2otr h LYS 73 CO 0.64 0.00 0.82 0.37 -2.06 0.00 0.00 179.45 179.22 2otr h GLN 74 N 0.00 0.16 0.00 3.15 4.15 -1.97 -2.86 115.11 117.74 2otr h GLN 74 Ca 0.04 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2otr h GLN 74 Cb 0.52 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 2otr h GLN 74 CO -0.00 0.10 -0.32 -0.85 -1.93 0.00 0.00 178.83 175.83 2otr n GLU 75 N -4.43 0.00 -3.52 1.69 0.28 -0.78 -5.05 120.64 108.83 2otr n GLU 75 Ca 0.29 -0.64 -0.16 0.00 -0.16 0.00 0.00 57.16 56.48 2otr n GLU 75 Cb 1.20 -0.32 0.00 0.00 1.43 0.00 0.00 31.44 33.75 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 -5.96 -3.96 -1.84 4.13 -0.38 -4.81 115.26 102.44 2otr n ASN 76 Ca -0.00 -0.64 -0.17 0.00 1.68 0.00 0.00 54.58 55.44 2otr n ASN 76 Cb 0.63 -3.12 -0.15 0.00 -1.54 0.00 0.00 39.78 35.60 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 -3.03 0.49 -0.79 3.41 2.01 -1.14 -1.99 115.64 114.61 2otr s THR 77 Ca 0.03 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.63 2otr s THR 77 Cb -0.01 -0.44 0.15 0.00 0.01 0.00 0.00 72.50 72.21 2otr s THR 77 CO 0.84 0.16 0.88 -0.22 -0.69 0.00 0.00 174.62 175.59 2otr s LEU 78 N 0.09 5.71 -0.41 4.42 2.96 0.18 -2.36 118.68 129.27 2otr s LEU 78 Ca -0.01 -2.06 -0.22 0.00 -0.22 0.00 0.00 54.13 51.63 2otr s LEU 78 Cb -0.05 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.35 2otr s LEU 78 CO -0.00 -0.92 0.71 0.12 -1.32 0.00 0.00 176.35 174.93 2otr s PHE 79 N 1.88 3.07 1.01 5.38 5.36 -1.03 -1.25 117.98 132.39 2otr s PHE 79 Ca 0.21 0.20 -0.14 0.00 -0.96 0.00 0.00 56.93 56.24 2otr s PHE 79 Cb -0.13 -3.41 0.19 0.00 -0.34 0.00 0.00 43.02 39.34 2otr s PHE 79 CO -0.04 -0.83 1.12 -0.51 -1.46 0.00 0.00 175.22 173.50 2otr s LEU 80 N 2.98 1.60 0.00 6.12 2.01 -1.01 -0.01 118.68 130.38 2otr s LEU 80 Ca 0.27 0.97 0.00 0.00 0.01 0.00 0.00 54.13 55.38 2otr s LEU 80 Cb -0.13 -3.11 0.00 0.00 0.01 0.00 0.00 46.19 42.95 2otr s LEU 80 CO 0.19 -3.11 0.00 0.52 1.01 0.00 0.00 176.35 174.96 2otr n VAL 81 N -4.13 0.00 -4.32 -1.59 0.31 0.40 -4.28 118.33 104.72 2otr n VAL 81 Ca 0.07 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.14 2otr n VAL 81 Cb 0.58 -0.10 -0.08 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.73 2.13 -0.30 5.55 1.81 -0.35 -2.13 118.95 124.94 2otr s ARG 82 Ca 0.00 -1.97 -0.21 0.00 -1.72 0.00 0.00 55.73 51.84 2otr s ARG 82 Cb 0.00 -1.85 0.19 0.00 -0.45 0.00 0.00 34.95 32.85 2otr s ARG 82 CO 0.00 -0.12 1.32 -1.17 -0.68 0.00 0.00 175.30 174.65 2otr s LEU 83 N -3.84 -0.10 0.00 2.53 0.20 -1.26 -1.57 118.68 114.64 2otr s LEU 83 Ca 0.37 0.18 0.00 0.00 0.69 0.00 0.00 54.13 55.37 2otr s LEU 83 Cb 0.06 1.17 0.00 0.00 -0.43 0.00 0.00 46.19 46.99 2otr s LEU 83 CO 0.20 -0.03 0.00 0.61 -0.29 0.00 0.00 176.35 176.84 2otr n GLY 84 N 2.38 0.27 3.88 7.98 0.00 -1.02 -4.66 105.19 114.02 2otr n GLY 84 Ca -0.14 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 6.55 0.38 1.61 0.15 -1.26 0.11 113.70 117.24 2otr s SER 85 Ca 0.00 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.34 2otr s SER 85 Cb 0.00 -2.12 0.75 0.00 -1.71 0.00 0.00 66.02 62.94 2otr s SER 85 CO 0.00 0.24 2.02 -0.74 1.20 0.00 0.00 173.24 175.96 2otr h HIS 86 N 4.00 0.68 0.02 3.44 2.76 -1.94 0.77 115.15 124.88 2otr h HIS 86 Ca -0.50 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.60 2otr h HIS 86 Cb 1.20 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.94 2otr h HIS 86 CO 0.68 0.41 -0.34 0.77 -1.30 0.00 0.00 177.93 178.15 2otr h SER 87 N 0.72 0.26 0.08 3.26 0.02 -1.93 -2.58 113.55 113.37 2otr h SER 87 Ca 0.22 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2otr h SER 87 Cb 0.01 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 2otr h SER 87 CO -0.05 1.06 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.56 2otr h GLU 88 N -0.51 -0.13 -0.09 3.45 4.22 -1.90 -2.31 114.58 117.31 2otr h GLU 88 Ca -0.05 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 2otr h GLU 88 Cb 1.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2otr h GLU 88 CO 0.07 -0.09 -0.06 -0.07 -2.18 0.00 0.00 179.01 176.68 2otr h LEU 89 N -0.14 0.12 0.00 1.64 -0.00 -0.98 -3.49 115.31 112.47 2otr h LEU 89 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2otr h LEU 89 Cb 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2otr h LEU 89 CO -0.00 0.21 0.00 0.33 -0.00 0.00 0.00 178.44 178.97