#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ga1 h LYS 3 N 0.00 0.38 -0.51 1.20 1.57 -2.05 -0.63 116.57 116.52 2ga1 h LYS 3 Ca 0.00 -0.28 0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2ga1 h LYS 3 Cb 0.00 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 2ga1 h LYS 3 CO 0.00 0.91 0.15 -0.22 -0.57 0.00 0.00 179.45 179.72 2ga1 h LYS 4 N -0.08 0.30 -0.19 3.15 3.64 -2.05 -1.39 116.57 119.94 2ga1 h LYS 4 Ca -0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2ga1 h LYS 4 Cb 0.95 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2ga1 h LYS 4 CO 0.07 0.20 0.05 1.15 -2.27 0.00 0.00 179.45 178.64 2ga1 h THR 5 N 0.31 1.20 -0.48 1.00 2.02 -1.97 -1.56 112.91 113.42 2ga1 h THR 5 Ca 0.25 -0.64 0.09 0.00 0.77 0.00 0.00 66.41 66.88 2ga1 h THR 5 Cb 0.31 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 2ga1 h THR 5 CO -0.29 0.20 0.05 -0.61 0.37 0.00 0.00 175.52 175.24 2ga1 h GLN 6 N 0.13 0.16 -0.61 6.66 4.15 -0.78 -0.61 115.11 124.22 2ga1 h GLN 6 Ca 0.06 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.37 2ga1 h GLN 6 Cb 0.26 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2ga1 h GLN 6 CO -0.00 0.11 -0.00 1.25 -1.93 0.00 0.00 178.83 178.25 2ga1 h LEU 7 N 0.17 1.05 -0.53 -2.39 5.85 -1.13 -1.71 115.31 116.63 2ga1 h LEU 7 Ca 0.24 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2ga1 h LEU 7 Cb 0.35 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2ga1 h LEU 7 CO -0.36 1.10 0.34 0.25 -0.34 0.00 0.00 178.44 179.43 2ga1 h LEU 8 N 0.98 0.57 -0.67 2.25 5.85 -0.86 -0.05 115.31 123.39 2ga1 h LEU 8 Ca 0.17 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2ga1 h LEU 8 Cb 0.57 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2ga1 h LEU 8 CO 0.03 0.41 0.16 -0.33 -0.34 0.00 0.00 178.44 178.38 2ga1 h GLU 9 N 0.69 1.07 -0.14 1.25 5.08 -0.90 0.23 114.58 121.85 2ga1 h GLU 9 Ca 0.20 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2ga1 h GLU 9 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2ga1 h GLU 9 CO -0.06 0.96 0.07 0.28 -1.00 0.00 0.00 179.01 179.25 2ga1 h VAL 10 N 1.00 1.13 -0.37 3.13 2.07 -1.14 -3.13 116.25 118.95 2ga1 h VAL 10 Ca 0.21 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 2ga1 h VAL 10 Cb 0.37 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2ga1 h VAL 10 CO 0.00 0.12 -0.18 0.40 0.02 0.00 0.00 177.57 177.93 2ga1 h ILE 11 N 0.10 1.26 0.00 4.57 1.08 -0.52 -2.03 117.51 121.96 2ga1 h ILE 11 Ca 0.05 -1.24 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 2ga1 h ILE 11 Cb 0.13 1.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2ga1 h ILE 11 CO -0.01 0.41 -0.01 0.00 -0.69 0.00 0.00 178.15 177.85 2ga1 h ALA 12 N 1.18 1.91 -0.11 1.87 0.00 -0.57 -2.29 119.26 121.26 2ga1 h ALA 12 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ga1 h ALA 12 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ga1 h ALA 12 CO 0.05 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2ga1 n ALA 13 N -2.51 2.47 -2.05 0.00 0.00 -0.80 -4.99 120.51 112.63 2ga1 n ALA 13 Ca -0.03 -0.71 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 2ga1 n ALA 13 Cb 0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 2ga1 n ALA 13 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ga1 s LEU 14 N -1.87 4.41 0.23 0.00 2.96 -0.86 -4.95 118.68 118.59 2ga1 s LEU 14 Ca 0.32 2.37 -0.31 0.00 -0.22 0.00 0.00 54.13 56.28 2ga1 s LEU 14 Cb 0.21 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 43.15 2ga1 s LEU 14 CO 0.31 -0.55 1.31 -2.65 -1.32 0.00 0.00 176.35 173.46 2ga1 n PRO 15 N 2.93 1.76 -0.10 0.98 -0.02 -1.26 -4.87 135.00 134.42 2ga1 n PRO 15 Ca 0.07 0.63 0.16 0.00 -2.02 0.00 0.00 63.50 62.34 2ga1 n PRO 15 Cb 0.43 -2.22 0.56 0.00 -0.02 0.00 0.00 33.50 32.25 2ga1 n PRO 15 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2ga1 h GLU 16 N 3.80 0.28 0.00 -0.52 9.09 -1.99 0.29 114.58 125.53 2ga1 h GLU 16 Ca -0.44 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2ga1 h GLU 16 Cb 1.30 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2ga1 h GLU 16 CO 0.73 0.19 0.00 -0.85 0.05 0.00 0.00 179.01 179.12 2ga1 n GLU 17 N -4.45 0.12 0.00 1.06 0.00 -1.26 -2.39 120.64 113.72 2ga1 n GLU 17 Ca 0.12 0.21 0.06 0.00 0.00 0.00 0.00 57.16 57.55 2ga1 n GLU 17 Cb 0.53 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.48 2ga1 n GLU 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ga1 n LEU 18 N -1.36 1.56 -0.07 -1.84 4.77 0.09 -4.63 117.00 115.53 2ga1 n LEU 18 Ca 0.05 -0.82 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 2ga1 n LEU 18 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2ga1 n LEU 18 CO 0.10 0.30 0.90 0.58 -1.33 0.00 0.00 177.39 177.94 2ga1 h VAL 19 N 1.69 0.89 -0.63 4.08 2.07 -1.50 -1.41 116.25 121.44 2ga1 h VAL 19 Ca 0.00 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2ga1 h VAL 19 Cb 0.46 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2ga1 h VAL 19 CO 0.00 0.03 0.36 0.44 0.02 0.00 0.00 177.57 178.42 2ga1 h ASP 20 N 0.16 0.55 -0.15 0.57 3.32 -1.82 0.11 116.42 119.16 2ga1 h ASP 20 Ca 0.12 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2ga1 h ASP 20 Cb 0.11 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2ga1 h ASP 20 CO -0.15 0.37 -0.36 1.56 -1.72 0.00 0.00 179.24 178.94 2ga1 h GLN 21 N 0.68 0.67 -0.43 3.56 4.20 -1.81 -1.08 115.11 120.90 2ga1 h GLN 21 Ca 0.27 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2ga1 h GLN 21 Cb 0.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2ga1 h GLN 21 CO -0.15 0.93 -0.04 0.00 -0.67 0.00 0.00 178.83 178.89 2ga1 h ALA 22 N 1.04 0.58 -0.44 3.87 0.00 -0.75 -1.84 119.26 121.73 2ga1 h ALA 22 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2ga1 h ALA 22 Cb 0.88 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2ga1 h ALA 22 CO 0.08 0.41 0.15 1.25 0.00 0.00 0.00 179.25 181.14 2ga1 h LEU 23 N 0.62 0.63 -0.80 0.00 5.85 -0.82 -1.42 115.31 119.36 2ga1 h LEU 23 Ca 0.12 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2ga1 h LEU 23 Cb 0.55 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2ga1 h LEU 23 CO 0.03 0.65 0.52 -1.13 -0.34 0.00 0.00 178.44 178.17 2ga1 h ASN 24 N 0.56 0.86 0.10 1.25 -0.73 -1.08 0.92 115.58 117.46 2ga1 h ASN 24 Ca 0.14 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 2ga1 h ASN 24 Cb 0.24 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2ga1 h ASN 24 CO -0.01 0.60 -0.05 0.22 -0.37 0.00 0.00 177.43 177.83 2ga1 h TYR 25 N 1.01 -0.12 -0.22 0.67 3.20 -0.99 -3.16 116.97 117.36 2ga1 h TYR 25 Ca 0.32 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 2ga1 h TYR 25 Cb -0.01 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2ga1 h TYR 25 CO -0.03 0.11 -0.24 -0.39 -1.64 0.00 0.00 178.16 175.97 2ga1 h VAL 26 N -0.33 1.26 0.00 1.81 -1.51 -1.05 -1.66 116.25 114.76 2ga1 h VAL 26 Ca -0.01 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 2ga1 h VAL 26 Cb 0.28 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2ga1 h VAL 26 CO 0.02 0.38 0.00 0.00 -1.23 0.00 0.00 177.57 176.74 2ga1 n GLN 27 N -4.14 0.01 0.00 5.19 6.02 0.30 -1.96 117.38 122.79 2ga1 n GLN 27 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ga1 n GLN 27 Cb 0.39 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.28 2ga1 n GLN 27 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ga1 n LEU 29 N 0.86 0.00 0.11 1.08 4.77 -0.63 -3.87 117.00 119.33 2ga1 n LEU 29 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2ga1 n LEU 29 Cb 0.00 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.56 2ga1 n LEU 29 CO 0.00 0.00 0.85 0.00 -1.33 0.00 0.00 177.39 176.91 2ga1 n GLN 30 N 0.00 0.19 -2.61 3.23 1.13 -0.83 -4.65 117.38 113.84 2ga1 n GLN 30 Ca 0.00 0.36 -0.43 0.00 -1.94 0.00 0.00 57.00 55.00 2ga1 n GLN 30 Cb 0.00 -1.82 -0.02 0.00 0.11 0.00 0.00 30.24 28.51 2ga1 n GLN 30 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2ga1 s ASN 31 N -4.17 6.99 0.36 1.08 3.84 -1.25 -4.92 114.94 116.87 2ga1 s ASN 31 Ca 0.06 1.28 0.27 0.00 0.21 0.00 0.00 52.86 54.68 2ga1 s ASN 31 Cb 0.10 -2.54 1.22 0.00 -0.55 0.00 0.00 41.25 39.47 2ga1 s ASN 31 CO 0.42 -0.79 1.81 -0.65 -2.79 0.00 0.00 177.10 175.10 2ga1 h PRO 32 N 7.90 0.00 -5.68 0.43 0.11 -1.96 -3.43 132.00 129.37 2ga1 h PRO 32 Ca -0.21 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.24 2ga1 h PRO 32 Cb 1.07 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.07 2ga1 h PRO 32 CO 1.00 0.00 -0.54 0.42 -0.21 0.00 0.00 178.00 178.68 2ga1 s ILE 33 N -3.50 5.03 0.00 4.15 -1.09 -1.26 -0.77 121.20 123.76 2ga1 s ILE 33 Ca 0.01 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 2ga1 s ILE 33 Cb 0.09 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 2ga1 s ILE 33 CO 0.38 0.59 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.96 2ga1 s GLN 34 N -0.73 1.09 -0.14 2.79 0.74 0.19 -4.81 119.66 118.79 2ga1 s GLN 34 Ca 0.13 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 54.98 2ga1 s GLN 34 Cb -0.12 -1.07 0.02 0.00 1.10 0.00 0.00 33.01 32.94 2ga1 s GLN 34 CO 0.03 0.29 -0.15 0.42 -0.55 0.00 0.00 175.29 175.33 2ga1 s ILE 35 N -0.44 1.58 -0.17 -2.34 1.01 -1.26 -0.14 121.20 119.44 2ga1 s ILE 35 Ca 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 2ga1 s ILE 35 Cb -0.06 -1.48 0.06 0.00 0.01 0.00 0.00 42.46 40.99 2ga1 s ILE 35 CO -0.00 0.46 0.09 -0.89 0.00 0.00 0.00 174.94 174.60 2ga1 s THR 36 N 1.40 -0.09 0.34 2.92 2.01 -1.26 -5.05 115.64 115.90 2ga1 s THR 36 Ca 0.03 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2ga1 s THR 36 Cb -0.13 -0.56 -0.12 0.00 0.01 0.00 0.00 72.50 71.70 2ga1 s THR 36 CO -0.09 -0.27 1.33 -2.65 -0.69 0.00 0.00 174.62 172.25 2ga1 n PRO 37 N 5.28 2.19 -0.97 4.92 -0.02 -1.26 -1.36 135.00 143.78 2ga1 n PRO 37 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2ga1 n PRO 37 Cb 0.49 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2ga1 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ga1 n GLY 38 N 0.89 0.32 3.22 -1.23 0.00 -1.26 -4.81 105.19 102.32 2ga1 n GLY 38 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2ga1 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ga1 s VAL 39 N -1.74 2.22 -1.66 1.61 1.01 -0.46 -4.71 120.40 116.68 2ga1 s VAL 39 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2ga1 s VAL 39 Cb 0.00 -1.89 0.13 0.00 0.00 0.00 0.00 36.38 34.63 2ga1 s VAL 39 CO 0.00 0.55 0.75 0.00 0.00 0.00 0.00 175.10 176.40 2ga1 n GLY 41 N -1.50 1.43 2.83 0.00 0.00 -1.26 -2.38 105.19 104.30 2ga1 n GLY 41 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2ga1 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ga1 n GLY 42 N -1.20 0.73 3.78 -0.02 0.00 0.47 -4.73 105.19 104.21 2ga1 n GLY 42 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2ga1 n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ga1 s GLN 43 N -0.18 3.53 0.32 1.61 -0.21 -1.00 -4.21 119.66 119.51 2ga1 s GLN 43 Ca 0.00 1.60 -0.29 0.00 0.02 0.00 0.00 55.36 56.68 2ga1 s GLN 43 Cb 0.00 -2.11 -0.12 0.00 1.00 0.00 0.00 33.01 31.78 2ga1 s GLN 43 CO 0.00 -0.70 1.55 0.00 -2.12 0.00 0.00 175.29 174.02 2ga1 n ALA 44 N -1.05 2.42 -2.61 6.09 0.00 -1.26 -4.51 120.51 119.59 2ga1 n ALA 44 Ca 0.10 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 2ga1 n ALA 44 Cb 0.51 -2.44 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 2ga1 n ALA 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ga1 s ARG 45 N -0.99 1.12 0.16 0.00 1.70 0.80 -0.80 118.95 120.92 2ga1 s ARG 45 Ca 0.61 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 2ga1 s ARG 45 Cb -0.50 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.16 2ga1 s ARG 45 CO 0.53 -0.39 1.18 0.42 -1.08 0.00 0.00 175.30 175.96 2ga1 s ILE 46 N -3.99 3.73 0.10 4.99 -1.09 -0.65 0.52 121.20 124.82 2ga1 s ILE 46 Ca 0.19 1.41 -0.35 0.00 -2.23 0.00 0.00 60.65 59.66 2ga1 s ILE 46 Cb 0.04 -3.90 -0.15 0.00 -1.58 0.00 0.00 42.46 36.87 2ga1 s ILE 46 CO 0.01 0.20 1.50 -1.14 -1.23 0.00 0.00 174.94 174.28 2ga1 n ARG 47 N 2.80 1.69 -1.63 2.79 0.63 0.05 -1.78 116.66 121.21 2ga1 n ARG 47 Ca 0.05 0.61 -0.14 0.00 -0.92 0.00 0.00 57.85 57.45 2ga1 n ARG 47 Cb 0.45 -2.33 -0.05 0.00 0.45 0.00 0.00 32.46 30.99 2ga1 n ARG 47 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2ga1 n ASN 48 N 3.27 -4.66 -4.49 6.15 3.02 -1.26 -4.99 115.26 112.29 2ga1 n ASN 48 Ca 0.18 0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.77 2ga1 n ASN 48 Cb 0.24 -3.53 -0.11 0.00 -0.61 0.00 0.00 39.78 35.77 2ga1 n ASN 48 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ga1 s THR 49 N -2.58 1.44 -0.41 3.41 -4.23 -0.73 -5.04 115.64 107.50 2ga1 s THR 49 Ca 0.00 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2ga1 s THR 49 Cb 0.00 -2.82 0.55 0.00 1.34 0.00 0.00 72.50 71.57 2ga1 s THR 49 CO 0.00 -0.02 1.70 0.54 -0.54 0.00 0.00 174.62 176.29 2ga1 n ARG 50 N -0.75 2.29 -3.48 3.99 3.00 -1.26 -4.73 116.66 115.71 2ga1 n ARG 50 Ca -0.03 -3.24 -0.43 0.00 -0.01 0.00 0.00 57.85 54.14 2ga1 n ARG 50 Cb 0.66 -2.07 -0.07 0.00 0.00 0.00 0.00 32.46 30.99 2ga1 n ARG 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2ga1 s ILE 51 N -3.67 4.60 0.44 0.55 1.01 -1.26 -5.01 121.20 117.85 2ga1 s ILE 51 Ca 0.53 -1.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.04 2ga1 s ILE 51 Cb 0.45 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 2ga1 s ILE 51 CO 0.04 -0.84 1.26 -2.84 0.00 0.00 0.00 174.94 172.55 2ga1 s PRO 52 N 1.16 3.80 0.26 2.79 0.02 -1.26 -1.63 135.00 140.13 2ga1 s PRO 52 Ca 0.07 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.10 2ga1 s PRO 52 Cb -0.25 -2.58 0.47 0.00 0.02 0.00 0.00 34.50 32.16 2ga1 s PRO 52 CO -0.01 -0.59 1.79 0.28 -0.33 0.00 0.00 177.00 178.15 2ga1 h VAL 53 N 2.15 0.84 0.00 3.83 2.07 -1.29 -1.45 116.25 122.39 2ga1 h VAL 53 Ca -0.50 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2ga1 h VAL 53 Cb 1.25 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2ga1 h VAL 53 CO 0.61 0.14 -0.14 4.11 0.02 0.00 0.00 177.57 182.31 2ga1 h TRP 54 N 0.75 0.00 -0.36 1.57 5.08 -1.91 -1.97 115.95 119.11 2ga1 h TRP 54 Ca 0.44 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.26 2ga1 h TRP 54 Cb 0.49 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 2ga1 h TRP 54 CO -0.06 0.14 -0.37 1.15 -1.28 0.00 0.00 178.44 178.01 2ga1 h THR 55 N 0.00 1.28 -0.58 0.12 2.02 -1.64 -0.17 112.91 113.94 2ga1 h THR 55 Ca -0.00 -1.54 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 2ga1 h THR 55 Cb 0.31 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2ga1 h THR 55 CO 0.02 0.51 0.21 -0.07 0.37 0.00 0.00 175.52 176.55 2ga1 h LEU 56 N 0.69 0.83 -0.32 2.58 3.38 -1.27 0.36 115.31 121.56 2ga1 h LEU 56 Ca 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2ga1 h LEU 56 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2ga1 h LEU 56 CO 0.09 0.80 0.02 0.58 0.09 0.00 0.00 178.44 180.01 2ga1 h VAL 57 N 0.81 1.25 -0.14 1.22 2.07 -1.34 -1.71 116.25 118.41 2ga1 h VAL 57 Ca 0.19 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2ga1 h VAL 57 Cb 0.25 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2ga1 h VAL 57 CO -0.01 0.30 0.10 0.00 0.02 0.00 0.00 177.57 177.97 2ga1 h ALA 58 N 0.86 0.18 -0.77 1.67 0.00 -0.82 0.52 119.26 120.90 2ga1 h ALA 58 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2ga1 h ALA 58 Cb 0.41 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2ga1 h ALA 58 CO 0.01 -0.33 0.50 1.88 0.00 0.00 0.00 179.25 181.31 2ga1 h TYR 59 N 0.20 0.94 -0.29 0.00 0.05 -0.86 -0.71 116.97 116.29 2ga1 h TYR 59 Ca 0.05 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.88 2ga1 h TYR 59 Cb -0.02 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 2ga1 h TYR 59 CO -0.07 0.56 0.14 -0.09 -1.05 0.00 0.00 178.16 177.65 2ga1 h ARG 60 N 0.99 0.28 -0.32 4.88 2.43 -0.81 -1.49 114.38 120.34 2ga1 h ARG 60 Ca 0.30 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2ga1 h ARG 60 Cb -0.05 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2ga1 h ARG 60 CO -0.09 0.19 0.16 1.96 -1.51 0.00 0.00 179.97 180.68 2ga1 h GLN 61 N 0.29 0.44 -0.03 0.20 4.20 -0.33 0.59 115.11 120.47 2ga1 h GLN 61 Ca 0.12 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2ga1 h GLN 61 Cb 0.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2ga1 h GLN 61 CO -0.09 0.34 0.00 1.04 -0.67 0.00 0.00 178.83 179.45 2ga1 n GLN 62 N -4.43 1.16 0.00 1.46 6.02 -0.33 -4.89 117.38 116.36 2ga1 n GLN 62 Ca 0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 2ga1 n GLN 62 Cb 0.11 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.02 2ga1 n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ga1 n GLY 63 N 0.90 1.09 3.66 1.08 0.00 0.20 -5.06 105.19 107.06 2ga1 n GLY 63 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2ga1 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ga1 s ALA 64 N -2.00 3.63 0.85 4.61 0.00 -0.60 -5.00 121.76 123.25 2ga1 s ALA 64 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2ga1 s ALA 64 Cb 0.00 -3.59 0.10 0.00 0.00 0.00 0.00 23.12 19.62 2ga1 s ALA 64 CO 0.00 -1.09 1.10 -1.25 0.00 0.00 0.00 175.76 174.52 2ga1 s PRO 65 N 3.24 1.69 0.30 0.00 0.04 -1.26 -4.27 135.00 134.73 2ga1 s PRO 65 Ca 0.54 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2ga1 s PRO 65 Cb -0.21 -1.87 0.52 0.00 0.04 0.00 0.00 34.50 32.97 2ga1 s PRO 65 CO 0.15 -1.91 1.91 -0.44 0.04 0.00 0.00 177.00 176.75 2ga1 h ASP 66 N -1.30 0.92 -0.84 6.66 3.32 -2.00 -1.86 116.42 121.32 2ga1 h ASP 66 Ca -0.48 0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.67 2ga1 h ASP 66 Cb 1.28 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.57 2ga1 h ASP 66 CO 0.58 0.59 0.49 0.07 -1.72 0.00 0.00 179.24 179.25 2ga1 h LYS 67 N 1.04 0.79 -0.35 3.56 2.10 -1.99 -1.31 116.57 120.41 2ga1 h LYS 67 Ca 0.39 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.93 2ga1 h LYS 67 Cb 0.19 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2ga1 h LYS 67 CO -0.15 0.52 -0.02 1.49 -2.00 0.00 0.00 179.45 179.30 2ga1 h GLU 68 N 0.82 0.63 -0.14 0.07 4.81 -1.72 -2.02 114.58 117.02 2ga1 h GLU 68 Ca 0.40 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2ga1 h GLU 68 Cb 0.36 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2ga1 h GLU 68 CO -0.24 0.76 0.03 -0.07 -0.73 0.00 0.00 179.01 178.75 2ga1 h LEU 69 N 0.43 0.01 -1.46 1.64 3.38 -0.86 -1.10 115.31 117.35 2ga1 h LEU 69 Ca 0.10 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2ga1 h LEU 69 Cb 0.49 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2ga1 h LEU 69 CO 0.02 0.03 -0.18 -0.07 0.09 0.00 0.00 178.44 178.33 2ga1 h LEU 70 N 0.09 0.12 -0.23 1.67 3.38 -1.26 -2.66 115.31 116.41 2ga1 h LEU 70 Ca 0.06 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 2ga1 h LEU 70 Cb 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ga1 h LEU 70 CO -0.08 0.32 -0.91 0.00 0.09 0.00 0.00 178.44 177.86 2ga1 h ALA 71 N 1.70 0.45 0.00 1.53 0.00 -0.99 -3.25 119.26 118.69 2ga1 h ALA 71 Ca 0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2ga1 h ALA 71 Cb 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ga1 h ALA 71 CO 0.03 0.88 -0.48 -0.91 0.00 0.00 0.00 179.25 178.77 2ga1 h ASN 72 N 0.15 0.00 -3.71 0.00 4.21 -0.93 -3.41 115.58 111.90 2ga1 h ASN 72 Ca -0.06 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.80 2ga1 h ASN 72 Cb 1.54 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 38.34 2ga1 h ASN 72 CO 0.15 0.03 -0.72 -0.31 -1.29 0.00 0.00 177.43 175.29 2ga1 s TYR 73 N -3.26 3.64 -0.32 1.19 2.02 -1.03 -5.01 117.35 114.57 2ga1 s TYR 73 Ca 0.03 -2.96 0.25 0.00 -0.37 0.00 0.00 57.07 54.02 2ga1 s TYR 73 Cb 0.07 -2.87 0.54 0.00 -0.40 0.00 0.00 41.96 39.31 2ga1 s TYR 73 CO 0.73 -0.93 1.68 -1.00 -1.57 0.00 0.00 175.55 174.46 2ga1 h PRO 74 N 7.56 0.00 -0.00 -1.71 0.13 -1.81 -2.45 132.00 133.72 2ga1 h PRO 74 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2ga1 h PRO 74 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2ga1 h PRO 74 CO 0.53 0.01 -0.06 0.41 -0.23 0.00 0.00 178.00 178.67 2ga1 n GLY 75 N 0.88 -0.85 3.72 1.56 0.00 -1.26 -4.89 105.19 104.35 2ga1 n GLY 75 Ca 0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2ga1 n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ga1 s LEU 76 N -2.29 4.43 0.42 0.99 2.96 -0.92 -5.06 118.68 119.21 2ga1 s LEU 76 Ca 0.35 1.83 0.08 0.00 -0.22 0.00 0.00 54.13 56.17 2ga1 s LEU 76 Cb 0.21 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 2ga1 s LEU 76 CO 0.43 -0.23 0.42 0.42 -1.32 0.00 0.00 176.35 176.07 2ga1 s THR 77 N 0.50 2.67 0.26 3.68 -4.23 -1.26 -4.91 115.64 112.34 2ga1 s THR 77 Ca 0.51 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2ga1 s THR 77 Cb -0.24 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 70.89 2ga1 s THR 77 CO 0.30 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.25 2ga1 h ALA 78 N 0.93 1.32 -0.27 3.99 0.00 -1.99 -2.28 119.26 120.96 2ga1 h ALA 78 Ca -0.41 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2ga1 h ALA 78 Cb 1.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2ga1 h ALA 78 CO 0.55 0.37 -0.09 0.93 0.00 0.00 0.00 179.25 181.01 2ga1 h GLU 79 N 1.09 0.44 -0.16 0.00 5.08 -1.98 0.31 114.58 119.36 2ga1 h GLU 79 Ca 0.41 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2ga1 h GLU 79 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2ga1 h GLU 79 CO -0.18 0.54 0.05 -0.44 -1.00 0.00 0.00 179.01 177.99 2ga1 h ASP 80 N 0.42 0.23 -0.11 1.42 3.32 -1.82 0.14 116.42 120.02 2ga1 h ASP 80 Ca 0.08 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2ga1 h ASP 80 Cb 0.42 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2ga1 h ASP 80 CO 0.02 0.36 0.04 -0.07 -1.72 0.00 0.00 179.24 177.87 2ga1 h LEU 81 N 0.08 0.15 -0.91 1.55 3.38 -0.99 0.12 115.31 118.69 2ga1 h LEU 81 Ca 0.05 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2ga1 h LEU 81 Cb 0.21 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2ga1 h LEU 81 CO -0.00 0.27 0.56 -1.28 0.09 0.00 0.00 178.44 178.08 2ga1 h SER 82 N 0.02 0.84 -0.63 -0.43 0.87 -0.29 0.56 113.55 114.49 2ga1 h SER 82 Ca 0.04 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2ga1 h SER 82 Cb 0.17 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2ga1 h SER 82 CO -0.00 0.49 0.09 0.00 -0.53 0.00 0.00 176.83 176.88 2ga1 h ALA 83 N 1.47 0.93 -0.33 6.23 0.00 -0.33 -1.34 119.26 125.89 2ga1 h ALA 83 Ca 0.43 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2ga1 h ALA 83 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ga1 h ALA 83 CO -0.22 0.66 0.15 0.00 0.00 0.00 0.00 179.25 179.84 2ga1 h ALA 84 N 1.08 0.40 -0.75 0.00 0.00 0.39 0.38 119.26 120.77 2ga1 h ALA 84 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2ga1 h ALA 84 Cb 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2ga1 h ALA 84 CO 0.01 -0.23 0.36 -1.49 0.00 0.00 0.00 179.25 177.91 2ga1 h TRP 85 N 0.32 1.06 -0.48 0.00 -0.00 -0.71 -0.08 115.95 116.06 2ga1 h TRP 85 Ca 0.14 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 58.90 2ga1 h TRP 85 Cb 0.07 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 28.88 2ga1 h TRP 85 CO -0.11 0.77 -0.05 1.25 -0.00 0.00 0.00 178.44 180.30 2ga1 h HIS 86 N 1.06 0.98 -0.62 0.49 2.76 -0.94 -1.87 115.15 117.01 2ga1 h HIS 86 Ca 0.26 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2ga1 h HIS 86 Cb 0.10 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2ga1 h HIS 86 CO 0.01 0.94 0.34 -0.92 -1.30 0.00 0.00 177.93 177.00 2ga1 h TYR 87 N 0.74 0.84 -0.51 5.26 3.20 -0.47 -1.43 116.97 124.61 2ga1 h TYR 87 Ca 0.13 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.01 2ga1 h TYR 87 Cb 0.58 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2ga1 h TYR 87 CO 0.04 0.60 0.30 -0.92 -1.64 0.00 0.00 178.16 176.54 2ga1 h TYR 88 N 0.84 0.56 -0.85 -3.82 3.20 -0.89 0.13 116.97 116.14 2ga1 h TYR 88 Ca 0.22 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.14 2ga1 h TYR 88 Cb 0.03 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 2ga1 h TYR 88 CO -0.01 0.32 0.56 0.93 -1.64 0.00 0.00 178.16 178.31 2ga1 h GLU 89 N 0.59 1.01 0.00 1.82 3.07 -0.80 -0.60 114.58 119.67 2ga1 h GLU 89 Ca 0.20 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2ga1 h GLU 89 Cb 0.03 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.71 2ga1 h GLU 89 CO -0.10 0.67 -0.24 1.96 -1.40 0.00 0.00 179.01 179.90 2ga1 h GLN 90 N 1.04 0.00 -1.43 2.33 1.08 -0.94 -3.39 115.11 113.80 2ga1 h GLN 90 Ca 0.34 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 57.09 2ga1 h GLN 90 Cb 0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.07 2ga1 h GLN 90 CO -0.10 0.00 -1.06 0.09 -0.95 0.00 0.00 178.83 176.81 2ga1 n ASN 91 N -2.86 2.20 -0.11 1.46 3.02 0.00 -4.97 115.26 114.01 2ga1 n ASN 91 Ca 0.03 -3.06 -0.09 0.00 -0.03 0.00 0.00 54.58 51.44 2ga1 n ASN 91 Cb 0.52 -0.54 0.06 0.00 -0.61 0.00 0.00 39.78 39.21 2ga1 n ASN 91 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2ga1 h PRO 92 N 2.92 0.84 0.09 3.52 0.13 -1.35 -2.51 132.00 135.64 2ga1 h PRO 92 Ca 0.04 -0.36 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ga1 h PRO 92 Cb 1.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ga1 h PRO 92 CO 0.59 0.99 -0.04 0.93 -0.23 0.00 0.00 178.00 180.24 2ga1 h GLU 93 N 0.73 -0.12 -0.20 0.86 3.07 -1.93 -0.12 114.58 116.87 2ga1 h GLU 93 Ca 0.09 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2ga1 h GLU 93 Cb 0.78 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.68 2ga1 h GLU 93 CO 0.06 -0.06 -0.02 0.37 -1.40 0.00 0.00 179.01 177.97 2ga1 h GLN 94 N -0.14 0.04 -0.31 2.33 4.15 -1.94 -1.06 115.11 118.17 2ga1 h GLN 94 Ca -0.01 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2ga1 h GLN 94 Cb 0.11 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2ga1 h GLN 94 CO 0.02 0.03 -0.14 0.82 -1.93 0.00 0.00 178.83 177.63 2ga1 h ILE 95 N 0.04 1.29 -0.41 2.39 1.08 -1.38 -2.04 117.51 118.48 2ga1 h ILE 95 Ca 0.09 -1.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.33 2ga1 h ILE 95 Cb 0.13 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2ga1 h ILE 95 CO -0.17 0.40 0.23 0.44 -0.69 0.00 0.00 178.15 178.36 2ga1 h ASP 96 N 0.41 0.49 0.03 1.72 3.32 -0.85 -0.81 116.42 120.73 2ga1 h ASP 96 Ca 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2ga1 h ASP 96 Cb 0.66 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2ga1 h ASP 96 CO 0.04 0.39 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.84 2ga1 h ARG 97 N 0.56 -0.04 -0.57 3.56 2.43 -0.94 -1.13 114.38 118.25 2ga1 h ARG 97 Ca 0.15 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 2ga1 h ARG 97 Cb -0.00 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 2ga1 h ARG 97 CO -0.03 0.16 0.21 0.93 -1.51 0.00 0.00 179.97 179.74 2ga1 h GLU 98 N -0.24 0.39 -0.38 0.20 5.08 -0.84 0.22 114.58 118.99 2ga1 h GLU 98 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2ga1 h GLU 98 Cb 0.23 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2ga1 h GLU 98 CO 0.01 0.25 0.20 0.82 -1.00 0.00 0.00 179.01 179.30 2ga1 h ILE 99 N 0.40 1.16 -0.55 3.13 2.04 -1.13 -2.87 117.51 119.69 2ga1 h ILE 99 Ca 0.28 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 2ga1 h ILE 99 Cb 0.33 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2ga1 h ILE 99 CO -0.28 0.16 0.04 0.00 0.00 0.00 0.00 178.15 178.07 2ga1 h ALA 100 N 1.06 1.04 -0.00 1.87 0.00 -0.58 -3.52 119.26 119.13 2ga1 h ALA 100 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ga1 h ALA 100 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2ga1 h ALA 100 CO -0.02 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.83