#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ga1 s THR 4 N 0.00 4.95 -0.09 5.09 2.01 -1.26 -5.09 115.64 121.25 3ga1 s THR 4 Ca 0.00 0.85 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 3ga1 s THR 4 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3ga1 s THR 4 CO 0.00 0.46 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.60 3ga1 s LEU 5 N -1.41 3.39 -0.00 4.42 1.43 -1.26 -5.11 118.68 120.14 3ga1 s LEU 5 Ca 0.29 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3ga1 s LEU 5 Cb -0.16 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3ga1 s LEU 5 CO 0.16 0.34 -0.01 -1.58 0.23 0.00 0.00 176.35 175.50 3ga1 s GLN 6 N -0.67 0.09 0.10 1.70 2.00 -1.26 -5.15 119.66 116.48 3ga1 s GLN 6 Ca 0.10 -0.02 0.07 0.00 -2.00 0.00 0.00 55.36 53.52 3ga1 s GLN 6 Cb -0.12 -0.12 -0.03 0.00 0.80 0.00 0.00 33.01 33.54 3ga1 s GLN 6 CO 0.02 0.00 -0.17 1.41 -0.50 0.00 0.00 175.29 176.05 3ga1 s MET 7 N 0.12 1.01 -0.21 1.67 -2.45 -1.26 -5.14 119.30 113.03 3ga1 s MET 7 Ca -0.01 -1.11 -0.06 0.00 -1.25 0.00 0.00 55.69 53.25 3ga1 s MET 7 Cb -0.02 -1.12 0.10 0.00 1.25 0.00 0.00 34.83 35.04 3ga1 s MET 7 CO -0.00 0.25 0.43 -2.00 1.05 0.00 0.00 175.02 174.75 3ga1 s GLU 8 N -2.01 0.35 -0.34 4.11 2.12 -1.26 -5.13 118.70 116.55 3ga1 s GLU 8 Ca 0.04 1.00 -0.16 0.00 0.36 0.00 0.00 54.97 56.21 3ga1 s GLU 8 Cb -0.09 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 3ga1 s GLU 8 CO 0.04 -0.31 0.41 0.42 -0.54 0.00 0.00 175.26 175.28 3ga1 s ILE 9 N 2.63 5.12 0.32 -3.70 1.01 -1.26 -5.05 121.20 120.27 3ga1 s ILE 9 Ca 0.01 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.57 3ga1 s ILE 9 Cb -0.13 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 3ga1 s ILE 9 CO -0.14 -0.10 1.34 -2.65 0.00 0.00 0.00 174.94 173.39 3ga1 n PRO 10 N 5.49 2.19 -3.98 2.79 -0.02 -1.26 -3.18 135.00 137.03 3ga1 n PRO 10 Ca -0.08 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 3ga1 n PRO 10 Cb 0.49 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 3ga1 n PRO 10 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ga1 n ASN 11 N 1.06 -3.51 -0.13 2.55 3.02 -1.26 -4.85 115.26 112.13 3ga1 n ASN 11 Ca 0.06 -0.87 -0.11 0.00 -0.03 0.00 0.00 54.58 53.63 3ga1 n ASN 11 Cb 0.35 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 36.00 3ga1 n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3ga1 h PHE 12 N -1.88 0.76 -0.80 3.10 3.57 -1.99 -3.00 116.94 116.70 3ga1 h PHE 12 Ca -0.59 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 60.78 3ga1 h PHE 12 Cb 1.38 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3ga1 h PHE 12 CO 0.57 0.79 0.53 0.78 -2.23 0.00 0.00 178.31 178.74 3ga1 h GLY 13 N 0.52 1.13 0.20 2.40 0.00 -1.89 -1.56 103.07 103.88 3ga1 h GLY 13 Ca 0.11 -0.41 0.13 0.00 0.00 0.00 0.00 47.33 47.16 3ga1 h GLY 13 CO 0.02 0.40 0.30 3.43 0.00 0.00 0.00 176.54 180.69 3ga1 h ASN 14 N 1.07 0.29 -0.08 0.19 2.35 -1.91 -1.06 115.58 116.43 3ga1 h ASN 14 Ca 0.30 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3ga1 h ASN 14 Cb -0.10 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3ga1 h ASN 14 CO -0.07 0.12 0.01 0.28 -1.65 0.00 0.00 177.43 176.11 3ga1 h SER 15 N 0.45 0.14 -0.45 5.81 0.02 -1.43 -2.95 113.55 115.15 3ga1 h SER 15 Ca 0.40 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3ga1 h SER 15 Cb 0.58 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3ga1 h SER 15 CO -0.38 0.40 0.10 0.40 -1.14 0.00 0.00 176.83 176.20 3ga1 h ILE 16 N -0.12 1.24 -0.63 3.27 1.08 -0.90 -1.48 117.51 119.97 3ga1 h ILE 16 Ca 0.02 -0.83 -0.04 0.00 -0.39 0.00 0.00 64.86 63.62 3ga1 h ILE 16 Cb 0.32 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 3ga1 h ILE 16 CO 0.00 0.29 0.22 0.25 -0.69 0.00 0.00 178.15 178.23 3ga1 h LEU 17 N 0.60 0.88 -0.63 1.44 5.85 -1.26 -0.14 115.31 122.05 3ga1 h LEU 17 Ca 0.14 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ga1 h LEU 17 Cb 0.33 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3ga1 h LEU 17 CO 0.00 0.81 0.34 -0.08 -0.34 0.00 0.00 178.44 179.17 3ga1 h GLU 18 N 0.92 0.61 -0.75 1.25 4.81 -1.30 -0.36 114.58 119.77 3ga1 h GLU 18 Ca 0.21 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3ga1 h GLU 18 Cb 0.23 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3ga1 h GLU 18 CO -0.01 0.41 0.34 0.00 -0.73 0.00 0.00 179.01 179.02 3ga1 h LEU 20 N 1.08 0.50 -0.15 0.00 3.38 -0.35 0.12 115.31 119.89 3ga1 h LEU 20 Ca 0.26 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ga1 h LEU 20 Cb 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ga1 h LEU 20 CO -0.03 0.56 -0.08 -1.13 0.09 0.00 0.00 178.44 177.85 3ga1 h ASN 21 N 0.52 0.33 -0.55 -0.43 -1.24 -0.56 -1.42 115.58 112.22 3ga1 h ASN 21 Ca 0.11 -0.42 0.10 0.00 0.71 0.00 0.00 56.30 56.80 3ga1 h ASN 21 Cb 0.30 -0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 3ga1 h ASN 21 CO 0.01 0.68 0.12 -0.33 -1.29 0.00 0.00 177.43 176.62 3ga1 h GLU 22 N -0.02 0.26 -0.43 6.67 5.08 -0.82 0.28 114.58 125.60 3ga1 h GLU 22 Ca 0.03 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3ga1 h GLU 22 Cb 0.56 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3ga1 h GLU 22 CO 0.02 0.17 0.15 1.96 -1.00 0.00 0.00 179.01 180.31 3ga1 h GLN 23 N 0.26 0.30 -0.04 2.33 4.20 -0.61 -0.84 115.11 120.72 3ga1 h GLN 23 Ca 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 3ga1 h GLN 23 Cb 0.40 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3ga1 h GLN 23 CO -0.36 0.20 0.01 -0.09 -0.67 0.00 0.00 178.83 177.92 3ga1 h ARG 24 N 0.31 0.06 -0.75 1.46 2.43 -0.37 0.46 114.38 117.98 3ga1 h ARG 24 Ca 0.20 -0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.56 3ga1 h ARG 24 Cb 0.19 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3ga1 h ARG 24 CO -0.20 0.31 0.53 -0.07 -1.51 0.00 0.00 179.97 179.03 3ga1 h LEU 25 N -0.19 0.05 -2.94 3.80 3.38 -0.12 0.13 115.31 119.42 3ga1 h LEU 25 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ga1 h LEU 25 Cb 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ga1 h LEU 25 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3ga1 n GLN 26 N -4.34 3.07 -3.38 1.13 6.02 -0.35 -4.96 117.38 114.56 3ga1 n GLN 26 Ca 0.15 -2.55 -0.19 0.00 -0.01 0.00 0.00 57.00 54.40 3ga1 n GLN 26 Cb 0.78 -1.59 0.07 0.00 1.02 0.00 0.00 30.24 30.53 3ga1 n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ga1 n GLY 27 N 0.99 -0.31 3.54 1.08 0.00 0.45 -5.02 105.19 105.93 3ga1 n GLY 27 Ca 0.21 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 3ga1 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ga1 s LEU 28 N -6.23 3.19 -1.95 0.99 1.43 0.14 -4.64 118.68 111.61 3ga1 s LEU 28 Ca 0.38 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3ga1 s LEU 28 Cb -0.17 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3ga1 s LEU 28 CO 0.62 0.27 0.00 -1.22 0.23 0.00 0.00 176.35 176.25 3ga1 n TYR 29 N 2.84 -0.63 -2.86 0.29 4.01 -1.26 -4.42 117.16 115.12 3ga1 n TYR 29 Ca -0.18 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.18 3ga1 n TYR 29 Cb 0.53 -3.80 -0.06 0.00 -0.31 0.00 0.00 39.34 35.69 3ga1 n TYR 29 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ga1 n ASP 31 N 1.14 1.86 -3.79 0.00 5.75 -0.84 -4.96 116.55 115.71 3ga1 n ASP 31 Ca -0.02 -1.81 -0.13 0.00 -0.01 0.00 0.00 54.79 52.82 3ga1 n ASP 31 Cb 0.49 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 3ga1 n ASP 31 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ga1 s VAL 32 N -0.82 0.05 -0.18 2.12 0.11 -0.94 -4.86 120.40 115.90 3ga1 s VAL 32 Ca 0.01 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3ga1 s VAL 32 Cb 0.01 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3ga1 s VAL 32 CO 0.01 -0.25 -0.16 -0.55 -3.33 0.00 0.00 175.10 170.82 3ga1 s SER 33 N -1.11 3.48 -0.29 3.54 0.15 -0.33 -1.15 113.70 117.98 3ga1 s SER 33 Ca -0.12 -0.55 -0.11 0.00 0.70 0.00 0.00 55.95 55.87 3ga1 s SER 33 Cb -0.05 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.68 3ga1 s SER 33 CO 0.03 0.02 0.17 -0.69 1.20 0.00 0.00 173.24 173.98 3ga1 s VAL 34 N 1.17 5.01 -0.21 4.45 1.01 0.47 -1.35 120.40 130.94 3ga1 s VAL 34 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3ga1 s VAL 34 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3ga1 s VAL 34 CO -0.07 0.18 0.09 -0.69 0.00 0.00 0.00 175.10 174.61 3ga1 s VAL 35 N 1.70 4.89 -0.15 2.92 1.01 0.43 -0.65 120.40 130.55 3ga1 s VAL 35 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3ga1 s VAL 35 Cb -0.16 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.01 3ga1 s VAL 35 CO 0.09 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.84 3ga1 s VAL 36 N 0.78 1.15 -1.30 2.92 1.01 0.81 -2.05 120.40 123.72 3ga1 s VAL 36 Ca 0.05 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 3ga1 s VAL 36 Cb -0.13 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3ga1 s VAL 36 CO 0.02 0.21 0.28 0.29 0.00 0.00 0.00 175.10 175.89 3ga1 n LYS 37 N 4.87 -0.64 -1.00 2.72 5.02 -1.26 -0.30 118.16 127.57 3ga1 n LYS 37 Ca -0.12 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3ga1 n LYS 37 Cb 0.48 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 3ga1 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ga1 n GLY 38 N -2.28 0.34 3.42 0.72 0.00 -1.26 -4.99 105.19 101.15 3ga1 n GLY 38 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3ga1 n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ga1 s HIS 39 N -1.69 2.96 -0.22 1.61 3.76 0.59 -5.11 115.29 117.18 3ga1 s HIS 39 Ca 0.00 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.28 3ga1 s HIS 39 Cb 0.00 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.67 3ga1 s HIS 39 CO 0.00 -0.20 0.17 0.00 -0.85 0.00 0.00 174.74 173.85 3ga1 s ALA 40 N 0.65 3.63 -0.20 -1.40 0.00 -1.26 -0.13 121.76 123.04 3ga1 s ALA 40 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3ga1 s ALA 40 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.70 3ga1 s ALA 40 CO 0.02 -0.09 -0.15 -0.06 0.00 0.00 0.00 175.76 175.49 3ga1 s PHE 41 N 0.85 2.89 0.42 0.00 0.08 0.18 -4.94 117.98 117.45 3ga1 s PHE 41 Ca 0.08 -1.58 -0.23 0.00 0.12 0.00 0.00 56.93 55.33 3ga1 s PHE 41 Cb -0.13 -1.97 -0.09 0.00 -0.57 0.00 0.00 43.02 40.26 3ga1 s PHE 41 CO 0.03 -0.76 1.06 0.15 -0.10 0.00 0.00 175.22 175.59 3ga1 s LYS 42 N 1.31 4.07 0.27 0.44 1.02 -1.26 -0.39 119.74 125.20 3ga1 s LYS 42 Ca 0.03 1.51 -0.20 0.00 0.02 0.00 0.00 55.97 57.34 3ga1 s LYS 42 Cb -0.14 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 3ga1 s LYS 42 CO -0.10 -0.23 0.90 0.00 -0.92 0.00 0.00 175.35 175.01 3ga1 s ALA 43 N -1.70 -1.21 -0.21 5.17 0.00 -0.30 -4.94 121.76 118.56 3ga1 s ALA 43 Ca 0.60 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 3ga1 s ALA 43 Cb -0.22 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3ga1 s ALA 43 CO 0.27 -1.03 0.04 -1.01 0.00 0.00 0.00 175.76 174.03 3ga1 s HIS 44 N -2.51 3.10 0.24 0.00 3.76 -1.26 -1.99 115.29 116.64 3ga1 s HIS 44 Ca 0.17 -0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 54.71 3ga1 s HIS 44 Cb -0.04 -2.13 0.46 0.00 1.11 0.00 0.00 32.58 31.98 3ga1 s HIS 44 CO 0.08 -0.19 1.74 0.00 -0.85 0.00 0.00 174.74 175.51 3ga1 h ARG 45 N 7.56 0.46 -0.54 1.40 3.08 -1.93 -1.96 114.38 122.46 3ga1 h ARG 45 Ca -0.37 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.73 3ga1 h ARG 45 Cb 1.18 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 3ga1 h ARG 45 CO 0.62 0.30 0.22 0.00 -1.07 0.00 0.00 179.97 180.04 3ga1 h ALA 46 N 1.54 0.68 -0.38 0.04 0.00 -1.98 0.69 119.26 119.84 3ga1 h ALA 46 Ca 0.41 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 3ga1 h ALA 46 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ga1 h ALA 46 CO -0.39 -0.17 -0.30 0.28 0.00 0.00 0.00 179.25 178.67 3ga1 h VAL 47 N 0.42 1.28 -0.32 0.00 2.07 -1.77 -1.58 116.25 116.34 3ga1 h VAL 47 Ca 0.26 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3ga1 h VAL 47 Cb 0.26 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ga1 h VAL 47 CO -0.24 0.49 0.18 -0.07 0.02 0.00 0.00 177.57 177.95 3ga1 h LEU 48 N 0.68 0.40 -1.23 2.57 3.38 -1.18 -2.95 115.31 116.97 3ga1 h LEU 48 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ga1 h LEU 48 Cb 0.89 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3ga1 h LEU 48 CO 0.08 0.36 0.35 0.00 0.09 0.00 0.00 178.44 179.33 3ga1 h ALA 49 N 1.05 1.42 -0.31 1.53 0.00 -0.77 -0.23 119.26 121.95 3ga1 h ALA 49 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ga1 h ALA 49 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ga1 h ALA 49 CO -0.02 0.48 0.21 0.00 0.00 0.00 0.00 179.25 179.92 3ga1 h ALA 50 N 1.50 1.83 -0.00 0.00 0.00 -1.11 -3.17 119.26 118.31 3ga1 h ALA 50 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ga1 h ALA 50 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ga1 h ALA 50 CO -0.04 0.14 -0.41 0.43 0.00 0.00 0.00 179.25 179.37 3ga1 n SER 51 N -4.49 0.67 -3.85 0.00 7.64 -0.90 -4.97 113.62 107.73 3ga1 n SER 51 Ca 0.02 -0.84 -0.26 0.00 1.01 0.00 0.00 58.87 58.81 3ga1 n SER 51 Cb 0.11 0.87 -0.17 0.00 -1.01 0.00 0.00 64.21 64.00 3ga1 n SER 51 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ga1 s SER 52 N -1.82 2.16 0.34 6.43 0.15 -0.15 -3.18 113.70 117.63 3ga1 s SER 52 Ca 0.05 -0.33 0.27 0.00 0.70 0.00 0.00 55.95 56.63 3ga1 s SER 52 Cb 0.08 -0.70 0.96 0.00 -1.71 0.00 0.00 66.02 64.65 3ga1 s SER 52 CO 0.38 -0.17 1.78 0.77 1.20 0.00 0.00 173.24 177.20 3ga1 h SER 53 N 8.22 0.00 -0.05 5.45 4.64 -1.63 -0.90 113.55 129.27 3ga1 h SER 53 Ca -0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3ga1 h SER 53 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ga1 h SER 53 CO 0.35 0.00 -0.15 0.22 -0.87 0.00 0.00 176.83 176.38 3ga1 h TYR 54 N 0.00 0.25 -0.13 4.77 3.20 -1.77 -2.22 116.97 121.07 3ga1 h TYR 54 Ca 0.00 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.65 3ga1 h TYR 54 Cb 0.56 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3ga1 h TYR 54 CO 0.00 0.77 -0.42 0.74 -1.64 0.00 0.00 178.16 177.60 3ga1 h PHE 55 N -0.33 0.36 -0.29 -3.82 0.04 -1.74 -0.97 116.94 110.18 3ga1 h PHE 55 Ca -0.00 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.72 3ga1 h PHE 55 Cb 0.77 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.79 3ga1 h PHE 55 CO 0.13 0.68 -0.00 -0.09 -0.60 0.00 0.00 178.31 178.43 3ga1 h ARG 56 N 0.25 0.08 -0.16 1.51 2.43 -1.18 0.11 114.38 117.43 3ga1 h ARG 56 Ca 0.02 -0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.97 3ga1 h ARG 56 Cb 0.85 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3ga1 h ARG 56 CO 0.07 0.05 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.38 3ga1 h ASP 57 N 0.08 0.95 0.06 -3.80 3.32 -1.22 -1.44 116.42 114.37 3ga1 h ASP 57 Ca 0.14 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 3ga1 h ASP 57 Cb 0.19 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3ga1 h ASP 57 CO -0.24 1.41 -0.03 0.25 -1.72 0.00 0.00 179.24 178.91 3ga1 h LEU 58 N 0.54 -0.08 -1.05 1.55 5.85 -1.06 -2.91 115.31 118.15 3ga1 h LEU 58 Ca -0.05 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3ga1 h LEU 58 Cb 1.39 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3ga1 h LEU 58 CO 0.16 -0.06 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.85 3ga1 h PHE 59 N -0.09 0.00 0.00 1.25 0.04 -0.79 -0.96 116.94 116.40 3ga1 h PHE 59 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3ga1 h PHE 59 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 3ga1 h PHE 59 CO -0.08 0.09 -0.15 -0.91 -0.60 0.00 0.00 178.31 176.66 3ga1 h ASN 60 N 0.00 0.00 0.00 2.17 2.35 -1.12 -3.33 115.58 115.65 3ga1 h ASN 60 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ga1 h ASN 60 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3ga1 h ASN 60 CO 0.01 0.15 0.00 0.59 -1.65 0.00 0.00 177.43 176.53 3ga1 n ASN 61 N -3.75 1.59 -3.68 5.81 4.13 -0.47 -5.01 115.26 113.88 3ga1 n ASN 61 Ca -0.02 -1.72 -0.14 0.00 1.68 0.00 0.00 54.58 54.38 3ga1 n ASN 61 Cb 0.26 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.41 3ga1 n ASN 61 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3ga1 s SER 62 N -0.72 -0.57 0.00 6.41 0.15 -0.57 -5.03 113.70 113.36 3ga1 s SER 62 Ca 0.00 1.06 0.08 0.00 0.70 0.00 0.00 55.95 57.80 3ga1 s SER 62 Cb 0.00 1.07 0.18 0.00 -1.71 0.00 0.00 66.02 65.56 3ga1 s SER 62 CO 0.00 -0.23 1.05 0.54 1.20 0.00 0.00 173.24 175.80 3ga1 n ARG 63 N 2.59 1.96 -1.78 5.44 5.12 -1.26 -4.54 116.66 124.18 3ga1 n ARG 63 Ca -0.14 -1.61 -0.40 0.00 -1.93 0.00 0.00 57.85 53.77 3ga1 n ARG 63 Cb 0.56 -1.19 0.01 0.00 -1.16 0.00 0.00 32.46 30.68 3ga1 n ARG 63 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3ga1 s SER 64 N -0.90 6.03 0.21 0.55 0.01 -1.26 -4.91 113.70 113.42 3ga1 s SER 64 Ca 0.15 3.00 0.02 0.00 1.31 0.00 0.00 55.95 60.43 3ga1 s SER 64 Cb 0.09 -2.66 0.16 0.00 0.21 0.00 0.00 66.02 63.82 3ga1 s SER 64 CO 0.12 -1.08 1.51 0.00 0.41 0.00 0.00 173.24 174.19 3ga1 h ALA 65 N 2.57 0.74 -3.70 1.44 0.00 -1.94 -3.42 119.26 114.93 3ga1 h ALA 65 Ca -0.51 -0.57 -0.68 0.00 0.00 0.00 0.00 54.91 53.16 3ga1 h ALA 65 Cb 1.26 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 3ga1 h ALA 65 CO 0.62 0.74 -0.75 0.08 0.00 0.00 0.00 179.25 179.95 3ga1 s VAL 66 N -3.72 3.24 -0.02 0.00 1.01 -1.26 -1.18 120.40 118.47 3ga1 s VAL 66 Ca -0.05 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3ga1 s VAL 66 Cb 0.11 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3ga1 s VAL 66 CO 0.82 0.57 -0.23 0.68 0.00 0.00 0.00 175.10 176.93 3ga1 s VAL 67 N -0.35 1.82 -0.17 2.92 -7.23 -0.46 -4.97 120.40 111.96 3ga1 s VAL 67 Ca 0.04 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 3ga1 s VAL 67 Cb -0.12 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3ga1 s VAL 67 CO 0.02 0.51 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.71 3ga1 s GLU 68 N -0.48 3.73 0.49 4.82 2.02 -1.26 -0.43 118.70 127.59 3ga1 s GLU 68 Ca 0.07 -0.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 3ga1 s GLU 68 Cb -0.09 -3.01 -0.06 0.00 0.10 0.00 0.00 34.13 31.06 3ga1 s GLU 68 CO -0.00 0.21 0.88 -0.51 0.02 0.00 0.00 175.26 175.85 3ga1 s LEU 69 N 0.48 3.63 0.84 1.80 1.43 -0.87 -4.97 118.68 121.03 3ga1 s LEU 69 Ca -0.02 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 3ga1 s LEU 69 Cb -0.14 -4.20 0.10 0.00 0.03 0.00 0.00 46.19 41.98 3ga1 s LEU 69 CO 0.02 -0.56 1.13 -2.16 0.23 0.00 0.00 176.35 175.01 3ga1 s PRO 70 N -4.30 1.71 0.63 1.29 0.04 -1.26 -4.76 135.00 128.35 3ga1 s PRO 70 Ca 0.53 0.34 0.31 0.00 0.04 0.00 0.00 61.00 62.22 3ga1 s PRO 70 Cb -0.10 -1.90 1.69 0.00 0.04 0.00 0.00 34.50 34.23 3ga1 s PRO 70 CO 0.38 -1.81 1.95 0.00 0.04 0.00 0.00 177.00 177.55 3ga1 h ALA 71 N -1.22 1.25 -0.07 8.56 0.00 -2.01 -0.99 119.26 124.79 3ga1 h ALA 71 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ga1 h ALA 71 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ga1 h ALA 71 CO 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3ga1 n ALA 72 N -1.89 -0.27 -1.68 0.00 0.00 -1.26 -4.66 120.51 110.75 3ga1 n ALA 72 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.97 3ga1 n ALA 72 Cb 0.31 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3ga1 n ALA 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ga1 n VAL 73 N -2.42 0.16 -4.24 0.00 0.31 -0.38 -5.03 118.33 106.74 3ga1 n VAL 73 Ca 0.00 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.03 3ga1 n VAL 73 Cb 0.00 -1.63 -0.08 0.00 -0.91 0.00 0.00 33.84 31.22 3ga1 n VAL 73 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3ga1 s GLN 74 N 0.73 2.29 0.10 5.55 -1.52 -1.26 -4.69 119.66 120.86 3ga1 s GLN 74 Ca 0.76 -1.19 -0.21 0.00 -1.95 0.00 0.00 55.36 52.76 3ga1 s GLN 74 Cb -0.64 -2.28 -0.11 0.00 -0.22 0.00 0.00 33.01 29.77 3ga1 s GLN 74 CO 0.39 0.44 1.73 -1.35 -0.25 0.00 0.00 175.29 176.24 3ga1 h PRO 75 N 2.66 0.14 -0.67 2.91 0.11 -1.94 -0.60 132.00 134.60 3ga1 h PRO 75 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3ga1 h PRO 75 Cb 1.21 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3ga1 h PRO 75 CO 0.57 0.13 0.41 0.37 -0.21 0.00 0.00 178.00 179.27 3ga1 h GLN 76 N 0.11 0.78 -0.50 1.05 4.15 -1.97 0.59 115.11 119.32 3ga1 h GLN 76 Ca 0.04 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3ga1 h GLN 76 Cb 0.02 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3ga1 h GLN 76 CO -0.01 0.52 0.15 0.77 -1.93 0.00 0.00 178.83 178.33 3ga1 h SER 77 N 0.81 0.74 -0.65 -0.69 0.02 -1.91 -2.35 113.55 109.51 3ga1 h SER 77 Ca 0.27 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3ga1 h SER 77 Cb 0.04 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3ga1 h SER 77 CO -0.11 0.76 0.15 0.15 -1.14 0.00 0.00 176.83 176.63 3ga1 h PHE 78 N 0.68 1.10 -0.85 3.45 3.57 -0.51 -1.88 116.94 122.51 3ga1 h PHE 78 Ca 0.16 -0.14 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3ga1 h PHE 78 Cb 0.29 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 3ga1 h PHE 78 CO 0.02 0.92 0.49 0.37 -2.23 0.00 0.00 178.31 177.88 3ga1 h GLN 79 N 0.97 0.81 -0.59 1.11 5.75 -0.56 0.14 115.11 122.74 3ga1 h GLN 79 Ca 0.20 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.56 3ga1 h GLN 79 Cb 0.38 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3ga1 h GLN 79 CO 0.00 0.53 -0.02 1.96 -2.65 0.00 0.00 178.83 178.65 3ga1 h GLN 80 N 0.83 1.04 -0.33 1.69 4.20 -0.90 -1.88 115.11 119.76 3ga1 h GLN 80 Ca 0.41 -0.34 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 3ga1 h GLN 80 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3ga1 h GLN 80 CO -0.24 1.03 -0.29 0.82 -0.67 0.00 0.00 178.83 179.48 3ga1 h ILE 81 N 0.95 1.29 -0.36 2.54 1.08 -0.57 -1.43 117.51 121.00 3ga1 h ILE 81 Ca 0.16 -1.45 0.02 0.00 -0.39 0.00 0.00 64.86 63.20 3ga1 h ILE 81 Cb 0.58 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 3ga1 h ILE 81 CO 0.03 0.47 0.21 0.25 -0.69 0.00 0.00 178.15 178.43 3ga1 h LEU 82 N 0.56 0.34 -0.76 1.44 5.85 -0.67 -1.19 115.31 120.88 3ga1 h LEU 82 Ca 0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ga1 h LEU 82 Cb 0.86 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3ga1 h LEU 82 CO 0.07 0.25 0.46 -1.28 -0.34 0.00 0.00 178.44 177.60 3ga1 h SER 83 N 0.43 0.91 -0.22 1.25 0.87 -1.23 -2.32 113.55 113.24 3ga1 h SER 83 Ca 0.14 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3ga1 h SER 83 Cb 0.00 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.69 3ga1 h SER 83 CO -0.07 0.71 -0.09 0.15 -0.53 0.00 0.00 176.83 177.00 3ga1 h PHE 84 N 1.04 -0.21 -0.22 2.24 3.57 -0.70 -1.80 116.94 120.87 3ga1 h PHE 84 Ca 0.27 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3ga1 h PHE 84 Cb -0.03 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3ga1 h PHE 84 CO -0.01 -0.14 0.28 0.00 -2.23 0.00 0.00 178.31 176.21 3ga1 n TYR 86 N -3.63 0.00 0.00 0.00 4.02 -0.79 -4.70 117.16 112.07 3ga1 n TYR 86 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3ga1 n TYR 86 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 3ga1 n TYR 86 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ga1 n THR 87 N -0.11 0.00 -1.00 -0.72 -2.24 -0.58 -4.62 114.28 105.01 3ga1 n THR 87 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3ga1 n THR 87 Cb 0.44 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3ga1 n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ga1 n GLY 88 N 0.53 0.86 3.63 3.38 0.00 0.11 -5.02 105.19 108.68 3ga1 n GLY 88 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3ga1 n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ga1 s ARG 89 N -0.01 3.51 -0.20 1.61 0.52 -1.26 -5.04 118.95 118.08 3ga1 s ARG 89 Ca 0.00 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3ga1 s ARG 89 Cb 0.00 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.52 3ga1 s ARG 89 CO 0.00 0.45 -0.18 -1.17 0.02 0.00 0.00 175.30 174.42 3ga1 s LEU 90 N -0.17 2.45 0.62 2.53 2.96 -1.26 -3.55 118.68 122.26 3ga1 s LEU 90 Ca 0.06 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 3ga1 s LEU 90 Cb -0.12 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3ga1 s LEU 90 CO 0.02 -0.05 0.99 -0.94 -1.32 0.00 0.00 176.35 175.05 3ga1 s SER 91 N 1.25 5.79 0.34 3.68 1.04 -1.26 -5.04 113.70 119.49 3ga1 s SER 91 Ca 0.02 1.07 -0.25 0.00 0.48 0.00 0.00 55.95 57.26 3ga1 s SER 91 Cb -0.15 -2.05 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 3ga1 s SER 91 CO -0.11 -1.05 0.95 -0.32 0.98 0.00 0.00 173.24 173.69 3ga1 s MET 92 N -5.14 4.52 -0.39 4.02 1.75 -1.26 -5.05 119.30 117.75 3ga1 s MET 92 Ca 0.55 1.32 0.01 0.00 -1.25 0.00 0.00 55.69 56.32 3ga1 s MET 92 Cb -0.11 -2.72 0.12 0.00 2.84 0.00 0.00 34.83 34.97 3ga1 s MET 92 CO 0.50 0.22 0.18 1.21 -0.65 0.00 0.00 175.02 176.48 3ga1 s ASN 93 N -1.67 3.82 -0.19 1.11 3.84 -1.26 -5.08 114.94 115.50 3ga1 s ASN 93 Ca 0.52 -2.29 -0.29 0.00 0.21 0.00 0.00 52.86 51.01 3ga1 s ASN 93 Cb -0.18 -1.00 -0.02 0.00 -0.55 0.00 0.00 41.25 39.50 3ga1 s ASN 93 CO 0.23 -0.32 1.47 -0.69 -2.79 0.00 0.00 177.10 175.00 3ga1 s VAL 94 N 0.79 3.91 0.00 -5.21 1.01 -1.26 -2.55 120.40 117.09 3ga1 s VAL 94 Ca 0.15 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3ga1 s VAL 94 Cb -0.22 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3ga1 s VAL 94 CO -0.08 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.38 3ga1 n GLY 95 N 4.23 3.18 0.65 4.51 0.00 -1.26 -4.85 105.19 111.64 3ga1 n GLY 95 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3ga1 n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ga1 n ASP 96 N 0.01 1.53 -0.34 1.61 8.00 -1.06 -4.71 116.55 121.59 3ga1 n ASP 96 Ca 0.00 -3.12 -0.01 0.00 0.71 0.00 0.00 54.79 52.38 3ga1 n ASP 96 Cb 0.00 -0.42 0.15 0.00 -0.02 0.00 0.00 41.12 40.83 3ga1 n ASP 96 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3ga1 h GLN 97 N 0.65 1.23 -0.56 -1.24 5.75 -1.84 -0.61 115.11 118.49 3ga1 h GLN 97 Ca -0.05 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3ga1 h GLN 97 Cb 1.23 -0.28 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 3ga1 h GLN 97 CO 0.02 0.81 0.34 0.38 -2.65 0.00 0.00 178.83 177.73 3ga1 h ASP 98 N 1.27 0.55 -0.33 -0.69 3.04 -1.91 -0.17 116.42 118.18 3ga1 h ASP 98 Ca 0.36 0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 54.13 3ga1 h ASP 98 Cb -0.10 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.07 3ga1 h ASP 98 CO -0.09 0.38 0.10 0.25 -2.04 0.00 0.00 179.24 177.84 3ga1 h LEU 99 N 0.67 0.48 -0.42 0.15 5.85 -1.80 -0.51 115.31 119.72 3ga1 h LEU 99 Ca 0.23 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3ga1 h LEU 99 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3ga1 h LEU 99 CO -0.10 0.56 0.20 0.25 -0.34 0.00 0.00 178.44 179.01 3ga1 h LEU 100 N 0.37 0.28 -0.35 2.25 5.85 -0.80 0.35 115.31 123.27 3ga1 h LEU 100 Ca 0.10 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3ga1 h LEU 100 Cb 0.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3ga1 h LEU 100 CO -0.00 0.21 -0.06 0.24 -0.34 0.00 0.00 178.44 178.48 3ga1 h MET 101 N 0.41 0.66 -0.50 1.25 2.86 -0.85 -0.20 114.93 118.56 3ga1 h MET 101 Ca 0.18 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3ga1 h MET 101 Cb 0.10 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3ga1 h MET 101 CO -0.14 0.81 0.17 -0.92 1.06 0.00 0.00 176.91 177.89 3ga1 h TYR 102 N 0.46 0.29 -0.59 -0.22 3.20 -0.75 -0.51 116.97 118.85 3ga1 h TYR 102 Ca 0.09 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 3ga1 h TYR 102 Cb 0.55 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3ga1 h TYR 102 CO 0.05 0.08 -0.02 1.15 -1.64 0.00 0.00 178.16 177.78 3ga1 h THR 103 N 0.33 1.27 -0.74 1.81 2.02 -0.67 0.25 112.91 117.18 3ga1 h THR 103 Ca 0.24 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 3ga1 h THR 103 Cb 0.27 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3ga1 h THR 103 CO -0.26 0.42 0.43 0.00 0.37 0.00 0.00 175.52 176.48 3ga1 h ALA 104 N 0.97 0.94 -0.24 6.16 0.00 -0.68 0.64 119.26 127.05 3ga1 h ALA 104 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ga1 h ALA 104 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ga1 h ALA 104 CO 0.03 0.42 -0.03 0.78 0.00 0.00 0.00 179.25 180.46 3ga1 h GLY 105 N 1.01 0.47 0.35 0.00 0.00 -0.83 -1.82 103.07 102.25 3ga1 h GLY 105 Ca 0.26 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.29 3ga1 h GLY 105 CO -0.05 0.34 -0.04 -2.75 0.00 0.00 0.00 176.54 174.04 3ga1 h PHE 106 N 0.19 -0.10 0.00 5.60 3.57 -0.19 0.72 116.94 126.73 3ga1 h PHE 106 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3ga1 h PHE 106 Cb 0.46 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3ga1 h PHE 106 CO 0.04 -0.11 0.00 1.28 -2.23 0.00 0.00 178.31 177.29 3ga1 n LEU 107 N -5.23 0.00 -4.08 0.59 4.77 0.19 -4.87 117.00 108.36 3ga1 n LEU 107 Ca 0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 3ga1 n LEU 107 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3ga1 n LEU 107 CO 0.19 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 176.06 3ga1 n GLN 108 N -0.65 -3.05 -2.20 3.23 6.02 0.24 -3.46 117.38 117.51 3ga1 n GLN 108 Ca 0.06 0.36 -0.35 0.00 -0.01 0.00 0.00 57.00 57.06 3ga1 n GLN 108 Cb 0.03 -4.63 -0.04 0.00 1.02 0.00 0.00 30.24 26.62 3ga1 n GLN 108 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ga1 s ILE 109 N -3.78 3.53 0.28 5.09 -1.09 -0.75 -2.49 121.20 121.99 3ga1 s ILE 109 Ca 0.25 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.61 3ga1 s ILE 109 Cb -0.13 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.53 3ga1 s ILE 109 CO 0.91 -1.23 1.72 0.06 -1.23 0.00 0.00 174.94 175.18 3ga1 h GLN 110 N 12.23 0.47 -0.03 2.79 3.07 -1.87 -3.14 115.11 128.63 3ga1 h GLN 110 Ca -0.08 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.48 3ga1 h GLN 110 Cb 1.07 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.60 3ga1 h GLN 110 CO 1.26 0.69 0.00 0.39 0.09 0.00 0.00 178.83 181.26 3ga1 n GLU 111 N -4.12 1.96 0.17 0.06 -0.58 -1.26 -4.28 120.64 112.58 3ga1 n GLU 111 Ca -0.00 -1.40 0.04 0.00 -0.42 0.00 0.00 57.16 55.38 3ga1 n GLU 111 Cb 0.40 -1.47 0.23 0.00 -0.57 0.00 0.00 31.44 30.03 3ga1 n GLU 111 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3ga1 h ILE 112 N 3.39 0.97 -2.53 -3.67 2.04 -1.94 -3.44 117.51 112.33 3ga1 h ILE 112 Ca 0.00 -1.83 -0.58 0.00 1.00 0.00 0.00 64.86 63.45 3ga1 h ILE 112 Cb 0.72 2.11 -0.10 0.00 -0.74 0.00 0.00 36.82 38.81 3ga1 h ILE 112 CO 0.00 0.45 -0.64 -0.32 0.00 0.00 0.00 178.15 177.64 3ga1 s MET 113 N -3.41 2.40 0.41 2.37 1.75 -1.26 -5.13 119.30 116.43 3ga1 s MET 113 Ca 0.01 -1.24 0.07 0.00 -1.25 0.00 0.00 55.69 53.28 3ga1 s MET 113 Cb 0.10 -2.29 -0.06 0.00 2.84 0.00 0.00 34.83 35.42 3ga1 s MET 113 CO 0.71 0.41 0.12 -1.83 -0.65 0.00 0.00 175.02 173.78 3ga1 s GLU 114 N -3.33 2.13 0.00 4.11 -1.05 -1.26 -5.06 118.70 114.24 3ga1 s GLU 114 Ca 0.29 -1.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.17 3ga1 s GLU 114 Cb -0.08 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 3ga1 s GLU 114 CO 0.20 -0.10 0.00 1.63 0.95 0.00 0.00 175.26 177.94