#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xg4 h ALA 26 N 0.00 0.88 -3.14 0.00 0.00 -2.12 -3.43 119.26 111.45 2xg4 h ALA 26 Ca 0.00 -0.29 -0.66 0.00 0.00 0.00 0.00 54.91 53.95 2xg4 h ALA 26 Cb 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 17.79 17.24 2xg4 h ALA 26 CO 0.00 0.67 -0.80 -0.06 0.00 0.00 0.00 179.25 179.06 2xg4 s PHE 27 N -5.11 2.81 0.14 0.00 0.40 -1.26 -5.08 117.98 109.87 2xg4 s PHE 27 Ca -0.12 -1.12 -0.25 0.00 -0.60 0.00 0.00 56.93 54.84 2xg4 s PHE 27 Cb 0.14 -1.92 0.07 0.00 0.51 0.00 0.00 43.02 41.82 2xg4 s PHE 27 CO 0.85 -0.54 0.99 -3.38 0.70 0.00 0.00 175.22 173.85 2xg4 s HIS 28 N 0.98 -0.12 1.02 0.36 -3.43 -1.26 -5.17 115.29 107.67 2xg4 s HIS 28 Ca -0.02 -0.18 -0.12 0.00 -0.80 0.00 0.00 55.06 53.94 2xg4 s HIS 28 Cb -0.15 0.64 0.20 0.00 -1.43 0.00 0.00 32.58 31.84 2xg4 s HIS 28 CO -0.03 -0.79 1.08 0.20 -2.00 0.00 0.00 174.74 173.20 2xg4 s GLY 29 N -2.96 1.58 0.25 -1.38 0.00 -1.26 -4.98 107.32 98.57 2xg4 s GLY 29 Ca 0.13 -0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.40 2xg4 s GLY 29 CO 0.02 0.47 1.54 -2.21 0.00 0.00 0.00 173.10 172.92 2xg4 n GLU 30 N -4.35 2.43 -4.13 2.90 2.13 -1.26 -5.01 120.64 113.35 2xg4 n GLU 30 Ca 0.05 0.87 -0.28 0.00 0.66 0.00 0.00 57.16 58.46 2xg4 n GLU 30 Cb 0.55 -2.61 -0.17 0.00 0.27 0.00 0.00 31.44 29.48 2xg4 n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2xg4 s VAL 31 N 0.18 1.32 0.17 6.31 1.01 -1.26 -5.14 120.40 123.00 2xg4 s VAL 31 Ca 0.68 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 62.27 2xg4 s VAL 31 Cb -0.57 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2xg4 s VAL 31 CO 0.46 0.41 -0.25 0.68 0.00 0.00 0.00 175.10 176.41 2xg4 s VAL 32 N 1.37 2.29 -0.04 2.92 -7.23 -1.26 -5.09 120.40 113.36 2xg4 s VAL 32 Ca 0.01 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 2xg4 s VAL 32 Cb -0.13 -2.07 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 2xg4 s VAL 32 CO -0.06 -0.07 1.62 -0.60 -0.31 0.00 0.00 175.10 175.68 2xg4 s ARG 33 N -2.49 4.19 0.70 4.82 3.52 -1.26 -5.01 118.95 123.42 2xg4 s ARG 33 Ca 0.18 2.17 -0.13 0.00 -0.13 0.00 0.00 55.73 57.82 2xg4 s ARG 33 Cb -0.08 -3.91 0.02 0.00 -1.56 0.00 0.00 34.95 29.41 2xg4 s ARG 33 CO 0.08 -0.81 1.09 -2.14 -0.81 0.00 0.00 175.30 172.72 2xg4 s PRO 34 N 3.75 2.67 0.72 5.12 0.02 -1.26 -5.04 135.00 140.98 2xg4 s PRO 34 Ca 0.72 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 2xg4 s PRO 34 Cb -0.33 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.27 2xg4 s PRO 34 CO 0.29 -1.34 1.08 0.00 -0.33 0.00 0.00 177.00 176.70 2xg4 s ALA 35 N -2.61 2.48 0.30 -1.55 0.00 -1.26 -4.49 121.76 114.62 2xg4 s ALA 35 Ca 0.64 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.54 2xg4 s ALA 35 Cb -0.18 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2xg4 s ALA 35 CO 0.47 -1.43 1.21 0.00 0.00 0.00 0.00 175.76 176.01 2xg4 s THR 37 N -1.08 5.26 -0.16 0.00 -1.32 0.46 -4.86 115.64 113.95 2xg4 s THR 37 Ca 0.47 0.54 -0.20 0.00 -1.21 0.00 0.00 61.69 61.29 2xg4 s THR 37 Cb -0.36 -3.57 -0.03 0.00 -1.51 0.00 0.00 72.50 67.03 2xg4 s THR 37 CO 0.47 0.58 0.58 -0.22 -2.21 0.00 0.00 174.62 173.82 2xg4 s LEU 38 N -0.93 4.21 -0.06 9.08 0.20 -1.26 -0.76 118.68 129.16 2xg4 s LEU 38 Ca 0.19 0.86 0.06 0.00 0.69 0.00 0.00 54.13 55.93 2xg4 s LEU 38 Cb -0.14 -2.84 -0.01 0.00 -0.43 0.00 0.00 46.19 42.76 2xg4 s LEU 38 CO 0.09 -0.16 -0.23 0.00 -0.29 0.00 0.00 176.35 175.76 2xg4 s ALA 39 N 1.34 2.25 0.33 5.97 0.00 0.40 -4.97 121.76 127.09 2xg4 s ALA 39 Ca 0.29 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.25 2xg4 s ALA 39 Cb -0.16 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 2xg4 s ALA 39 CO 0.11 0.43 0.05 -1.64 0.00 0.00 0.00 175.76 174.72 2xg4 s MET 40 N -0.23 1.66 0.15 0.00 -1.94 -1.26 -0.60 119.30 117.07 2xg4 s MET 40 Ca -0.01 -1.91 -0.15 0.00 -1.71 0.00 0.00 55.69 51.90 2xg4 s MET 40 Cb -0.13 -0.91 0.02 0.00 2.01 0.00 0.00 34.83 35.81 2xg4 s MET 40 CO 0.03 -0.17 1.74 1.05 -0.01 0.00 0.00 175.02 177.66 2xg4 h GLU 41 N 2.11 0.61 -5.87 2.03 9.09 -1.95 -3.43 114.58 117.17 2xg4 h GLU 41 Ca -0.41 -0.08 -0.57 0.00 0.05 0.00 0.00 59.36 58.35 2xg4 h GLU 41 Cb 1.24 -0.12 -0.07 0.00 -1.65 0.00 0.00 28.75 28.16 2xg4 h GLU 41 CO 0.70 0.50 -0.01 0.34 0.05 0.00 0.00 179.01 180.59 2xg4 s ASP 42 N -5.76 6.83 0.65 3.06 -1.08 -1.26 -4.97 116.67 114.14 2xg4 s ASP 42 Ca -0.13 0.99 0.38 0.00 -0.52 0.00 0.00 52.55 53.27 2xg4 s ASP 42 Cb 0.11 -2.35 2.08 0.00 -1.46 0.00 0.00 42.92 41.29 2xg4 s ASP 42 CO 0.75 -0.07 2.21 0.00 0.52 0.00 0.00 175.17 178.58 2xg4 h ALA 43 N 6.79 1.25 -0.01 3.66 0.00 -1.95 -1.29 119.26 127.70 2xg4 h ALA 43 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2xg4 h ALA 43 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2xg4 h ALA 43 CO 0.76 -0.13 -0.22 0.91 0.00 0.00 0.00 179.25 180.57 2xg4 n TRP 44 N -3.21 0.00 -3.64 0.00 8.01 -1.26 -4.94 117.44 112.41 2xg4 n TRP 44 Ca -0.02 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.94 2xg4 n TRP 44 Cb 0.19 -0.05 0.06 0.00 -2.01 0.00 0.00 31.31 29.50 2xg4 n TRP 44 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2xg4 n GLN 45 N -0.07 -6.52 -4.59 -0.99 6.02 -0.49 -5.00 117.38 105.74 2xg4 n GLN 45 Ca 0.13 0.75 -0.34 0.00 -0.01 0.00 0.00 57.00 57.53 2xg4 n GLN 45 Cb 0.41 -5.66 -0.11 0.00 1.02 0.00 0.00 30.24 25.90 2xg4 n GLN 45 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2xg4 s ILE 46 N -3.40 3.74 -0.24 5.09 1.01 -1.26 -5.07 121.20 121.07 2xg4 s ILE 46 Ca 0.33 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2xg4 s ILE 46 Cb -0.15 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 2xg4 s ILE 46 CO 0.77 0.57 0.01 -0.63 0.00 0.00 0.00 174.94 175.66 2xg4 s ILE 47 N -0.84 3.75 -0.16 2.92 1.09 -1.26 -4.73 121.20 121.97 2xg4 s ILE 47 Ca 0.13 -0.44 -0.29 0.00 -1.10 0.00 0.00 60.65 58.95 2xg4 s ILE 47 Cb -0.11 -2.77 -0.03 0.00 -1.06 0.00 0.00 42.46 38.49 2xg4 s ILE 47 CO 0.02 0.33 1.56 -0.62 -0.10 0.00 0.00 174.94 176.14 2xg4 s ASP 48 N 1.52 6.58 0.15 3.58 3.68 -1.26 -4.91 116.67 126.01 2xg4 s ASP 48 Ca 0.05 1.83 0.25 0.00 2.13 0.00 0.00 52.55 56.81 2xg4 s ASP 48 Cb -0.15 -2.53 0.49 0.00 -1.45 0.00 0.00 42.92 39.27 2xg4 s ASP 48 CO -0.00 -1.06 1.46 0.23 0.13 0.00 0.00 175.17 175.93 2xg4 n MET 49 N 7.29 0.28 -0.26 4.34 2.81 -1.26 -5.01 117.12 125.31 2xg4 n MET 49 Ca 0.17 0.13 0.03 0.00 -1.81 0.00 0.00 57.70 56.22 2xg4 n MET 49 Cb 0.44 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.22 2xg4 n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2xg4 n GLY 50 N 1.33 -1.95 3.69 3.03 0.00 -1.26 -4.94 105.19 105.09 2xg4 n GLY 50 Ca 0.04 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 2xg4 n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2xg4 n GLU 51 N -2.62 0.70 -1.68 1.61 0.28 -1.26 -4.79 120.64 112.88 2xg4 n GLU 51 Ca -0.01 0.30 -0.50 0.00 -0.16 0.00 0.00 57.16 56.80 2xg4 n GLU 51 Cb 0.12 -2.42 -0.05 0.00 1.43 0.00 0.00 31.44 30.52 2xg4 n GLU 51 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2xg4 n THR 52 N -2.45 0.35 -1.30 3.84 -1.04 -1.26 -4.83 114.28 107.59 2xg4 n THR 52 Ca 0.15 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.05 61.72 2xg4 n THR 52 Cb 0.49 -1.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.36 2xg4 n THR 52 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2xg4 n PRO 53 N 5.34 3.63 -0.03 -2.82 -0.04 -1.26 -4.76 135.00 135.06 2xg4 n PRO 53 Ca 0.22 -2.15 -0.09 0.00 -0.04 0.00 0.00 63.50 61.43 2xg4 n PRO 53 Cb 0.26 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 2xg4 n PRO 53 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2xg4 h VAL 54 N 2.95 0.35 -0.18 0.52 2.07 -1.99 -0.18 116.25 119.78 2xg4 h VAL 54 Ca 0.84 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.42 2xg4 h VAL 54 Cb 0.34 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2xg4 h VAL 54 CO 1.71 0.00 -0.30 0.03 0.02 0.00 0.00 177.57 179.04 2xg4 h ARG 55 N -0.31 -0.33 -0.70 1.57 -0.00 -2.00 -0.90 114.38 111.71 2xg4 h ARG 55 Ca 0.12 0.02 0.06 0.00 -0.50 0.00 0.00 59.98 59.68 2xg4 h ARG 55 Cb 0.50 0.07 -0.06 0.00 0.00 0.00 0.00 29.97 30.48 2xg4 h ARG 55 CO -0.37 -0.22 0.40 -0.44 0.00 0.00 0.00 179.97 179.34 2xg4 h ASP 56 N -0.34 0.60 -0.27 7.04 3.32 -1.81 -2.31 116.42 122.65 2xg4 h ASP 56 Ca 0.11 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2xg4 h ASP 56 Cb 0.52 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2xg4 h ASP 56 CO -0.37 0.38 0.02 -0.07 -1.72 0.00 0.00 179.24 177.49 2xg4 h LEU 57 N 0.73 0.44 -1.61 1.55 -0.00 -0.37 -2.09 115.31 113.95 2xg4 h LEU 57 Ca 0.32 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2xg4 h LEU 57 Cb 0.19 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2xg4 h LEU 57 CO -0.18 0.61 0.12 1.56 -0.00 0.00 0.00 178.44 180.55 2xg4 h GLN 58 N 0.25 0.38 0.00 1.13 4.20 -0.99 0.12 115.11 120.20 2xg4 h GLN 58 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2xg4 h GLN 58 Cb 0.37 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2xg4 h GLN 58 CO 0.01 0.31 0.00 0.09 -0.67 0.00 0.00 178.83 178.56 2xg4 n ASN 59 N -4.44 0.00 0.00 1.46 3.02 -0.89 -4.84 115.26 109.58 2xg4 n ASN 59 Ca 0.01 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2xg4 n ASN 59 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2xg4 n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xg4 n GLY 60 N 0.28 0.47 4.00 7.41 0.00 0.03 -5.05 105.19 112.33 2xg4 n GLY 60 Ca 0.04 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2xg4 n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xg4 s PHE 61 N -2.00 2.77 0.81 1.61 0.40 -0.81 -5.03 117.98 115.73 2xg4 s PHE 61 Ca 0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 2xg4 s PHE 61 Cb 0.00 -2.36 0.09 0.00 0.51 0.00 0.00 43.02 41.26 2xg4 s PHE 61 CO 0.00 -0.42 1.16 -1.54 0.70 0.00 0.00 175.22 175.12 2xg4 s SER 62 N -4.35 4.36 0.98 1.36 1.04 -1.26 -3.96 113.70 111.89 2xg4 s SER 62 Ca 0.55 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.43 2xg4 s SER 62 Cb -0.09 -1.06 0.18 0.00 0.10 0.00 0.00 66.02 65.15 2xg4 s SER 62 CO 0.33 -1.96 1.17 -0.83 0.98 0.00 0.00 173.24 172.93 2xg4 s GLY 63 N -4.62 1.62 0.81 7.32 0.00 -0.01 -4.68 107.32 107.77 2xg4 s GLY 63 Ca 0.63 -0.75 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 2xg4 s GLY 63 CO 0.48 -0.08 1.14 2.56 0.00 0.00 0.00 173.10 177.21 2xg4 s PRO 64 N -5.42 1.80 0.20 2.90 0.04 -1.26 -4.60 135.00 128.66 2xg4 s PRO 64 Ca 0.67 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.99 2xg4 s PRO 64 Cb -0.12 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2xg4 s PRO 64 CO 0.54 -2.03 0.69 -1.21 0.04 0.00 0.00 177.00 175.02 2xg4 s GLU 65 N -4.52 4.22 -0.17 4.56 2.02 -1.26 -4.59 118.70 118.96 2xg4 s GLU 65 Ca 0.67 0.81 -0.00 0.00 0.02 0.00 0.00 54.97 56.47 2xg4 s GLU 65 Cb -0.22 -2.93 0.04 0.00 0.10 0.00 0.00 34.13 31.11 2xg4 s GLU 65 CO 0.53 0.43 -0.08 1.03 0.02 0.00 0.00 175.26 177.20 2xg4 s ARG 66 N -1.87 1.68 0.18 1.61 1.81 0.88 -4.96 118.95 118.28 2xg4 s ARG 66 Ca 0.41 -0.57 -0.30 0.00 -1.72 0.00 0.00 55.73 53.55 2xg4 s ARG 66 Cb -0.17 -2.06 -0.07 0.00 -0.45 0.00 0.00 34.95 32.19 2xg4 s ARG 66 CO 0.21 -0.39 1.05 -1.59 -0.68 0.00 0.00 175.30 173.90 2xg4 s LYS 67 N 1.57 4.65 -0.02 3.54 -2.85 -1.26 -0.55 119.74 124.82 2xg4 s LYS 67 Ca 0.01 1.63 -0.02 0.00 -1.00 0.00 0.00 55.97 56.60 2xg4 s LYS 67 Cb -0.15 -3.29 0.01 0.00 -2.06 0.00 0.00 37.83 32.34 2xg4 s LYS 67 CO -0.08 0.17 0.05 -0.59 0.10 0.00 0.00 175.35 175.00 2xg4 s PHE 68 N -0.36 -0.05 -0.13 1.78 -0.12 0.20 -4.94 117.98 114.36 2xg4 s PHE 68 Ca 0.47 0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 57.49 2xg4 s PHE 68 Cb -0.28 -0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 2xg4 s PHE 68 CO 0.34 -0.04 -0.07 0.45 -0.05 0.00 0.00 175.22 175.84 2xg4 s SER 69 N 0.20 4.51 -0.24 1.98 0.15 -1.26 -1.03 113.70 118.01 2xg4 s SER 69 Ca -0.01 -0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.42 2xg4 s SER 69 Cb -0.02 -1.61 -0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2xg4 s SER 69 CO -0.01 0.20 -0.01 -0.76 1.20 0.00 0.00 173.24 173.87 2xg4 s LEU 70 N 0.14 3.16 -0.15 3.45 1.43 0.56 -4.57 118.68 122.71 2xg4 s LEU 70 Ca -0.03 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2xg4 s LEU 70 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2xg4 s LEU 70 CO 0.04 -0.07 0.31 -0.60 0.23 0.00 0.00 176.35 176.26 2xg4 s ARG 71 N 1.48 4.20 -0.41 1.70 3.52 0.23 -0.64 118.95 129.03 2xg4 s ARG 71 Ca 0.05 0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.66 2xg4 s ARG 71 Cb -0.15 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 29.89 2xg4 s ARG 71 CO -0.02 0.29 0.27 -0.51 -0.81 0.00 0.00 175.30 174.52 2xg4 s LEU 72 N 0.31 5.08 0.23 -0.88 1.43 -1.22 -0.45 118.68 123.19 2xg4 s LEU 72 Ca 0.17 -1.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.08 2xg4 s LEU 72 Cb -0.13 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2xg4 s LEU 72 CO 0.05 -0.50 0.07 -0.13 0.23 0.00 0.00 176.35 176.07 2xg4 s ARG 73 N 1.52 2.56 0.00 1.70 0.52 0.06 -4.64 118.95 120.67 2xg4 s ARG 73 Ca 0.03 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 2xg4 s ARG 73 Cb -0.22 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 32.89 2xg4 s ARG 73 CO 0.05 0.40 0.00 -1.71 0.02 0.00 0.00 175.30 174.06 2xg4 n ASN 74 N -0.78 -2.49 -0.64 0.23 4.05 -1.26 -0.40 115.26 113.97 2xg4 n ASN 74 Ca -0.08 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.01 2xg4 n ASN 74 Cb 0.57 -1.27 0.17 0.00 1.23 0.00 0.00 39.78 40.48 2xg4 n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2xg4 n GLU 76 N 0.16 -2.33 -0.30 0.00 1.02 -1.26 -4.84 120.64 113.09 2xg4 n GLU 76 Ca 0.13 0.39 0.09 0.00 -0.02 0.00 0.00 57.16 57.76 2xg4 n GLU 76 Cb 0.52 -4.23 0.25 0.00 -0.02 0.00 0.00 31.44 27.97 2xg4 n GLU 76 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2xg4 h PHE 77 N -1.92 0.74 -2.97 -0.32 3.57 -1.93 -3.41 116.94 110.70 2xg4 h PHE 77 Ca -0.65 0.04 -0.62 0.00 3.53 0.00 0.00 57.97 60.27 2xg4 h PHE 77 Cb 1.37 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 2xg4 h PHE 77 CO 0.43 0.11 -0.25 -0.80 -2.23 0.00 0.00 178.31 175.56 2xg4 s ASN 78 N -5.34 6.72 0.39 0.41 0.01 -1.26 -1.12 114.94 114.74 2xg4 s ASN 78 Ca -0.12 0.86 0.04 0.00 -0.71 0.00 0.00 52.86 52.93 2xg4 s ASN 78 Cb 0.23 -2.21 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 2xg4 s ASN 78 CO 0.78 0.32 0.13 -0.94 -1.51 0.00 0.00 177.10 175.88 2xg4 s SER 79 N -1.18 2.59 0.13 -1.22 1.04 0.49 -4.97 113.70 110.57 2xg4 s SER 79 Ca 0.24 -1.65 -0.20 0.00 0.48 0.00 0.00 55.95 54.82 2xg4 s SER 79 Cb -0.16 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 2xg4 s SER 79 CO 0.13 -0.91 1.70 0.06 0.98 0.00 0.00 173.24 175.20 2xg4 h GLN 80 N 1.87 -0.02 0.00 4.02 -0.00 -1.99 -3.05 115.11 115.94 2xg4 h GLN 80 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 2xg4 h GLN 80 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2xg4 h GLN 80 CO 0.56 -0.01 -0.50 0.78 -0.00 0.00 0.00 178.83 179.66 2xg4 h GLY 81 N -0.02 0.00 0.00 0.06 0.00 -2.03 -3.49 103.07 97.60 2xg4 h GLY 81 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2xg4 h GLY 81 CO -0.22 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.93 2xg4 n GLY 82 N 1.23 1.35 3.34 4.60 0.00 -1.15 -5.12 105.19 109.43 2xg4 n GLY 82 Ca 0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2xg4 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xg4 s ASN 83 N 2.00 -0.18 0.29 1.61 4.22 -1.26 -0.38 114.94 121.23 2xg4 s ASN 83 Ca 0.00 -0.42 0.00 0.00 -2.14 0.00 0.00 52.86 50.30 2xg4 s ASN 83 Cb 0.00 0.48 0.51 0.00 1.28 0.00 0.00 41.25 43.52 2xg4 s ASN 83 CO 0.00 -0.88 1.87 -0.07 -2.04 0.00 0.00 177.10 175.99 2xg4 h LEU 84 N 2.39 0.95 0.51 3.54 3.38 -1.45 -1.60 115.31 123.03 2xg4 h LEU 84 Ca -0.33 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2xg4 h LEU 84 Cb 1.25 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.83 2xg4 h LEU 84 CO 0.46 0.57 -0.25 0.15 0.09 0.00 0.00 178.44 179.47 2xg4 h PHE 85 N 1.06 -0.64 -0.02 1.13 3.57 -1.85 -1.22 116.94 118.98 2xg4 h PHE 85 Ca 0.45 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.94 2xg4 h PHE 85 Cb 0.32 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2xg4 h PHE 85 CO -0.00 -0.32 0.01 0.77 -2.23 0.00 0.00 178.31 176.54 2xg4 h SER 86 N -1.07 0.00 0.14 0.41 0.02 -1.68 -1.86 113.55 109.50 2xg4 h SER 86 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2xg4 h SER 86 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2xg4 h SER 86 CO 0.12 0.00 -0.09 0.47 -1.14 0.00 0.00 176.83 176.18 2xg4 n ASP 87 N -4.12 0.99 -1.23 3.07 9.92 -0.61 -4.67 116.55 119.90 2xg4 n ASP 87 Ca -0.03 -1.08 -0.13 0.00 -0.53 0.00 0.00 54.79 53.02 2xg4 n ASP 87 Cb 0.10 0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 2xg4 n ASP 87 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2xg4 n SER 88 N -0.42 -4.45 0.15 -2.24 7.64 -0.70 -4.90 113.62 108.70 2xg4 n SER 88 Ca 0.17 0.20 0.03 0.00 1.01 0.00 0.00 58.87 60.28 2xg4 n SER 88 Cb 0.31 -3.32 0.04 0.00 -1.01 0.00 0.00 64.21 60.23 2xg4 n SER 88 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2xg4 h ARG 89 N 0.00 0.00 -6.18 1.43 3.08 -1.47 -3.45 114.38 107.79 2xg4 h ARG 89 Ca -0.29 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.18 2xg4 h ARG 89 Cb 1.02 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.89 2xg4 h ARG 89 CO 0.39 0.46 -0.79 0.96 -1.07 0.00 0.00 179.97 179.92 2xg4 s ILE 90 N -2.99 2.10 -0.06 2.04 -4.36 -1.05 -1.05 121.20 115.84 2xg4 s ILE 90 Ca 0.04 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 2xg4 s ILE 90 Cb 0.07 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.76 2xg4 s ILE 90 CO 0.74 -0.28 -0.16 -0.13 0.24 0.00 0.00 174.94 175.35 2xg4 s ARG 91 N -2.92 1.91 0.04 0.37 0.52 0.25 -4.68 118.95 114.43 2xg4 s ARG 91 Ca 0.20 -0.57 0.07 0.00 -0.52 0.00 0.00 55.73 54.90 2xg4 s ARG 91 Cb -0.06 -1.59 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 2xg4 s ARG 91 CO 0.09 0.16 -0.16 0.14 0.02 0.00 0.00 175.30 175.55 2xg4 s VAL 92 N 0.28 2.91 -0.01 3.52 -7.23 -1.26 -0.36 120.40 118.26 2xg4 s VAL 92 Ca -0.09 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 2xg4 s VAL 92 Cb -0.14 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.57 2xg4 s VAL 92 CO 0.04 0.33 0.03 -0.89 -0.31 0.00 0.00 175.10 174.29 2xg4 s THR 93 N -0.95 -0.02 -0.24 5.32 2.01 -0.55 -0.56 115.64 120.65 2xg4 s THR 93 Ca 0.15 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.05 2xg4 s THR 93 Cb -0.11 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 2xg4 s THR 93 CO 0.06 0.02 0.44 -0.36 -0.69 0.00 0.00 174.62 174.10 2xg4 s PHE 94 N 0.31 3.29 -0.16 4.92 0.40 -1.26 -0.14 117.98 125.34 2xg4 s PHE 94 Ca -0.03 0.57 -0.08 0.00 -0.60 0.00 0.00 56.93 56.80 2xg4 s PHE 94 Cb -0.04 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 2xg4 s PHE 94 CO -0.01 -0.19 0.10 -0.51 0.70 0.00 0.00 175.22 175.32 2xg4 s ASP 95 N 1.42 6.00 0.00 1.36 1.01 0.43 -1.12 116.67 125.77 2xg4 s ASP 95 Ca 0.19 0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.69 2xg4 s ASP 95 Cb -0.15 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.78 2xg4 s ASP 95 CO 0.09 0.26 0.00 0.61 0.21 0.00 0.00 175.17 176.34 2xg4 n GLY 96 N 2.98 0.72 3.66 0.21 0.00 -1.26 -0.72 105.19 110.78 2xg4 n GLY 96 Ca -0.17 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2xg4 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xg4 s VAL 97 N -2.09 5.20 0.47 1.61 1.01 -1.26 -4.77 120.40 120.57 2xg4 s VAL 97 Ca 0.00 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.41 2xg4 s VAL 97 Cb 0.00 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2xg4 s VAL 97 CO 0.00 0.24 1.40 -0.60 0.00 0.00 0.00 175.10 176.14 2xg4 s ARG 98 N 1.39 3.58 0.00 2.72 6.06 -1.26 -0.07 118.95 131.36 2xg4 s ARG 98 Ca 0.18 2.35 0.00 0.00 -2.50 0.00 0.00 55.73 55.77 2xg4 s ARG 98 Cb -0.15 -2.57 0.00 0.00 0.06 0.00 0.00 34.95 32.30 2xg4 s ARG 98 CO 0.08 -0.88 0.00 0.41 -2.50 0.00 0.00 175.30 172.41 2xg4 n GLY 99 N 0.61 0.88 0.22 8.12 0.00 0.34 -4.19 105.19 111.17 2xg4 n GLY 99 Ca 0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 2xg4 n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2xg4 h GLU 100 N 0.00 0.73 -5.92 1.61 4.81 -1.86 -3.46 114.58 110.50 2xg4 h GLU 100 Ca 0.00 -0.25 -0.61 0.00 -0.13 0.00 0.00 59.36 58.37 2xg4 h GLU 100 Cb 0.00 -0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.20 2xg4 h GLU 100 CO 0.00 0.84 -0.63 0.95 -0.73 0.00 0.00 179.01 179.43 2xg4 s THR 101 N -4.93 2.34 0.52 0.32 -4.23 -1.26 -5.03 115.64 103.37 2xg4 s THR 101 Ca -0.13 -2.06 0.20 0.00 -1.18 0.00 0.00 61.69 58.52 2xg4 s THR 101 Cb 0.10 -2.78 0.33 0.00 1.34 0.00 0.00 72.50 71.49 2xg4 s THR 101 CO 0.80 -0.15 2.08 1.55 -0.54 0.00 0.00 174.62 178.36 2xg4 h PRO 102 N 1.87 0.01 0.00 3.99 0.13 -1.99 -2.58 132.00 133.42 2xg4 h PRO 102 Ca -0.43 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2xg4 h PRO 102 Cb 1.25 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2xg4 h PRO 102 CO 0.71 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 2xg4 n ASP 103 N -4.47 0.00 -4.13 1.44 10.43 -1.26 -3.95 116.55 114.61 2xg4 n ASP 103 Ca 0.03 -1.25 -0.18 0.00 2.57 0.00 0.00 54.79 55.96 2xg4 n ASP 103 Cb 0.32 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.16 2xg4 n ASP 103 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2xg4 s LYS 104 N -2.00 0.79 0.01 -1.24 1.02 -0.98 -4.65 119.74 112.70 2xg4 s LYS 104 Ca 0.22 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.43 2xg4 s LYS 104 Cb 0.10 -0.76 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 2xg4 s LYS 104 CO 0.17 0.18 0.04 -0.06 -0.92 0.00 0.00 175.35 174.76 2xg4 s PHE 105 N -1.05 3.17 0.52 3.18 0.40 0.08 -0.51 117.98 123.77 2xg4 s PHE 105 Ca -0.02 0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.25 2xg4 s PHE 105 Cb -0.09 -1.68 -0.07 0.00 0.51 0.00 0.00 43.02 41.69 2xg4 s PHE 105 CO 0.01 0.51 1.03 1.21 0.70 0.00 0.00 175.22 178.68 2xg4 s ASN 106 N -1.77 6.26 0.02 1.36 2.47 0.90 -1.15 114.94 123.03 2xg4 s ASN 106 Ca 0.22 1.82 0.07 0.00 0.42 0.00 0.00 52.86 55.40 2xg4 s ASN 106 Cb -0.12 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.12 2xg4 s ASN 106 CO 0.14 -0.83 -0.22 -0.76 -3.72 0.00 0.00 177.10 171.70 2xg4 s LEU 107 N -3.85 2.12 0.82 3.21 1.43 -1.26 -4.77 118.68 116.38 2xg4 s LEU 107 Ca 0.64 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2xg4 s LEU 107 Cb -0.15 -1.09 0.15 0.00 0.03 0.00 0.00 46.19 45.13 2xg4 s LEU 107 CO 0.26 0.22 1.14 -0.44 0.23 0.00 0.00 176.35 177.76 2xg4 s SER 108 N -0.94 3.90 0.00 2.29 0.01 -0.16 -4.92 113.70 113.87 2xg4 s SER 108 Ca 0.09 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.36 2xg4 s SER 108 Cb -0.09 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2xg4 s SER 108 CO 0.01 -2.19 0.00 0.61 0.41 0.00 0.00 173.24 172.08 2xg4 n GLY 109 N -3.24 -2.09 0.16 3.44 0.00 -1.26 -2.05 105.19 100.15 2xg4 n GLY 109 Ca 0.14 -2.11 0.05 0.00 0.00 0.00 0.00 46.02 44.10 2xg4 n GLY 109 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2xg4 h GLN 110 N 1.35 0.00 -7.25 1.61 7.50 -1.35 -3.47 115.11 113.50 2xg4 h GLN 110 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 2xg4 h GLN 110 Cb 0.00 0.00 0.14 0.00 0.05 0.00 0.00 27.48 27.67 2xg4 h GLN 110 CO 0.00 0.34 0.33 0.00 -1.50 0.00 0.00 178.83 178.00 2xg4 s ALA 111 N -3.04 2.16 0.04 3.87 0.00 -1.08 -4.80 121.76 118.91 2xg4 s ALA 111 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2xg4 s ALA 111 Cb 0.07 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2xg4 s ALA 111 CO 0.72 -1.81 -0.04 0.15 0.00 0.00 0.00 175.76 174.78 2xg4 s LYS 112 N -4.44 0.52 0.00 0.00 -0.14 -0.08 -4.82 119.74 110.77 2xg4 s LYS 112 Ca 0.66 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 2xg4 s LYS 112 Cb -0.21 0.07 0.00 0.00 -1.68 0.00 0.00 37.83 36.01 2xg4 s LYS 112 CO 0.50 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 2xg4 n GLY 113 N 0.79 0.66 3.15 -3.33 0.00 -1.23 -1.77 105.19 103.45 2xg4 n GLY 113 Ca -0.18 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2xg4 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2xg4 s ILE 114 N -2.00 1.16 0.35 -0.61 -4.36 -1.26 -2.05 121.20 112.43 2xg4 s ILE 114 Ca 0.00 -0.95 0.03 0.00 -0.26 0.00 0.00 60.65 59.48 2xg4 s ILE 114 Cb 0.00 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 2xg4 s ILE 114 CO 0.00 0.07 0.09 0.20 0.24 0.00 0.00 174.94 175.54 2xg4 s ASN 115 N -1.00 2.35 0.09 4.36 0.01 0.01 -4.30 114.94 116.46 2xg4 s ASN 115 Ca 0.03 -1.48 0.09 0.00 -0.71 0.00 0.00 52.86 50.79 2xg4 s ASN 115 Cb -0.07 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 2xg4 s ASN 115 CO 0.01 -0.74 -0.21 -0.22 -1.51 0.00 0.00 177.10 174.43 2xg4 s LEU 116 N -3.51 2.52 -0.03 0.60 0.20 -0.30 -0.91 118.68 117.26 2xg4 s LEU 116 Ca 0.32 -0.57 0.04 0.00 0.69 0.00 0.00 54.13 54.61 2xg4 s LEU 116 Cb 0.06 -1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 44.39 2xg4 s LEU 116 CO 0.15 0.21 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.69 2xg4 s GLN 117 N -1.83 1.40 -0.11 1.98 0.74 0.19 -0.74 119.66 121.30 2xg4 s GLN 117 Ca 0.15 -0.52 0.03 0.00 0.05 0.00 0.00 55.36 55.08 2xg4 s GLN 117 Cb -0.10 -1.28 -0.00 0.00 1.10 0.00 0.00 33.01 32.73 2xg4 s GLN 117 CO 0.07 0.24 -0.22 0.42 -0.55 0.00 0.00 175.29 175.25 2xg4 s ILE 118 N -0.06 2.22 0.09 -2.34 1.01 -1.26 -1.58 121.20 119.29 2xg4 s ILE 118 Ca -0.00 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.75 2xg4 s ILE 118 Cb -0.09 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2xg4 s ILE 118 CO 0.01 0.55 -0.17 0.00 0.00 0.00 0.00 174.94 175.33 2xg4 s ALA 119 N 0.36 1.51 0.65 9.38 0.00 0.16 0.04 121.76 133.85 2xg4 s ALA 119 Ca -0.17 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.64 2xg4 s ALA 119 Cb -0.18 -0.16 0.11 0.00 0.00 0.00 0.00 23.12 22.90 2xg4 s ALA 119 CO 0.08 0.24 0.79 -0.40 0.00 0.00 0.00 175.76 176.47 2xg4 n ASP 120 N 1.07 1.15 0.08 0.00 5.68 -0.17 -0.59 116.55 123.76 2xg4 n ASP 120 Ca -0.19 -1.95 0.08 0.00 -0.50 0.00 0.00 54.79 52.22 2xg4 n ASP 120 Cb 0.54 -0.50 0.36 0.00 -1.14 0.00 0.00 41.12 40.38 2xg4 n ASP 120 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2xg4 n VAL 121 N -2.52 1.17 0.19 2.12 0.24 -1.25 -0.23 118.33 118.04 2xg4 n VAL 121 Ca 0.13 0.41 0.07 0.00 -2.04 0.00 0.00 64.34 62.91 2xg4 n VAL 121 Cb 0.48 -1.32 0.12 0.00 -1.47 0.00 0.00 33.84 31.64 2xg4 n VAL 121 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2xg4 n ARG 122 N -1.89 1.80 -0.57 7.34 1.74 -1.26 -4.97 116.66 118.85 2xg4 n ARG 122 Ca 0.01 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 2xg4 n ARG 122 Cb 0.12 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2xg4 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xg4 n GLY 123 N 0.73 0.69 3.68 -0.13 0.00 0.68 -5.03 105.19 105.81 2xg4 n GLY 123 Ca 0.11 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2xg4 n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2xg4 s ASN 124 N -2.19 6.73 -0.15 1.61 0.01 -1.26 -4.74 114.94 114.95 2xg4 s ASN 124 Ca 0.00 2.26 -0.23 0.00 -0.71 0.00 0.00 52.86 54.18 2xg4 s ASN 124 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 2xg4 s ASN 124 CO 0.00 -0.82 0.73 -0.63 -1.51 0.00 0.00 177.10 174.87 2xg4 s ILE 125 N 2.79 4.97 0.34 0.60 -1.09 -1.26 -1.00 121.20 126.55 2xg4 s ILE 125 Ca 0.69 1.43 -0.29 0.00 -2.23 0.00 0.00 60.65 60.25 2xg4 s ILE 125 Cb -0.35 -4.05 -0.11 0.00 -1.58 0.00 0.00 42.46 36.38 2xg4 s ILE 125 CO 0.29 0.12 1.49 0.00 -1.23 0.00 0.00 174.94 175.60 2xg4 s ALA 126 N 1.70 3.61 -0.06 9.38 0.00 0.11 -4.99 121.76 131.50 2xg4 s ALA 126 Ca 0.35 1.52 0.03 0.00 0.00 0.00 0.00 51.96 53.86 2xg4 s ALA 126 Cb -0.17 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2xg4 s ALA 126 CO 0.13 -0.96 -0.14 1.03 0.00 0.00 0.00 175.76 175.82 2xg4 s ARG 127 N -1.56 2.62 -0.22 0.00 0.52 -1.26 -4.53 118.95 114.53 2xg4 s ARG 127 Ca 0.55 -0.69 -0.39 0.00 -0.52 0.00 0.00 55.73 54.68 2xg4 s ARG 127 Cb -0.46 -2.41 -0.15 0.00 0.52 0.00 0.00 34.95 32.45 2xg4 s ARG 127 CO 0.57 0.57 1.76 0.00 0.02 0.00 0.00 175.30 178.22 2xg4 n ALA 128 N 2.47 0.02 -0.99 2.13 0.00 -1.25 -1.78 120.51 121.10 2xg4 n ALA 128 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2xg4 n ALA 128 Cb 0.52 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2xg4 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xg4 n GLY 129 N 4.17 0.74 3.52 0.00 0.00 -0.28 -4.92 105.19 108.43 2xg4 n GLY 129 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2xg4 n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xg4 s LYS 130 N -0.04 3.08 0.19 1.61 3.01 -0.74 -5.00 119.74 121.85 2xg4 s LYS 130 Ca 0.00 -0.57 -0.30 0.00 -1.01 0.00 0.00 55.97 54.08 2xg4 s LYS 130 Cb 0.00 -2.67 -0.09 0.00 -1.01 0.00 0.00 37.83 34.06 2xg4 s LYS 130 CO 0.00 0.48 1.39 0.54 0.51 0.00 0.00 175.35 178.27 2xg4 s VAL 131 N -0.31 3.05 0.43 3.17 0.11 -1.26 -4.39 120.40 121.19 2xg4 s VAL 131 Ca 0.04 0.82 -0.24 0.00 -2.93 0.00 0.00 61.98 59.67 2xg4 s VAL 131 Cb -0.13 -3.53 -0.08 0.00 -1.53 0.00 0.00 36.38 31.12 2xg4 s VAL 131 CO 0.02 0.10 1.21 -0.04 -3.33 0.00 0.00 175.10 173.07 2xg4 s MET 132 N 0.26 3.86 0.44 1.54 -1.94 0.28 -4.98 119.30 118.75 2xg4 s MET 132 Ca 0.61 1.92 -0.23 0.00 -1.71 0.00 0.00 55.69 56.27 2xg4 s MET 132 Cb -0.39 -2.57 -0.08 0.00 2.01 0.00 0.00 34.83 33.81 2xg4 s MET 132 CO 0.37 -0.51 1.13 -1.25 -0.01 0.00 0.00 175.02 174.74 2xg4 s PRO 133 N -2.47 3.91 -0.10 2.03 0.04 -1.26 -4.68 135.00 132.46 2xg4 s PRO 133 Ca 0.60 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 2xg4 s PRO 133 Cb -0.32 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2xg4 s PRO 133 CO 0.40 -0.40 1.47 0.00 0.04 0.00 0.00 177.00 178.51 2xg4 s ALA 134 N -1.58 3.64 0.13 8.56 0.00 -1.26 -5.02 121.76 126.23 2xg4 s ALA 134 Ca 0.61 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.32 2xg4 s ALA 134 Cb -0.26 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 2xg4 s ALA 134 CO 0.32 -1.28 -0.06 0.96 0.00 0.00 0.00 175.76 175.70 2xg4 s ILE 135 N 3.75 0.84 0.43 0.00 -4.36 -1.26 -4.99 121.20 115.61 2xg4 s ILE 135 Ca 0.65 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.89 2xg4 s ILE 135 Cb -0.28 -1.86 -0.08 0.00 1.25 0.00 0.00 42.46 41.49 2xg4 s ILE 135 CO 0.23 -0.72 0.88 -2.16 0.24 0.00 0.00 174.94 173.40 2xg4 s PRO 136 N -3.83 3.98 0.34 0.37 0.04 -1.26 -4.09 135.00 130.55 2xg4 s PRO 136 Ca 0.17 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 2xg4 s PRO 136 Cb 0.05 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2xg4 s PRO 136 CO -0.01 -0.08 0.55 -0.51 0.04 0.00 0.00 177.00 176.99 2xg4 s LEU 137 N -3.61 4.02 0.33 -3.56 1.43 -1.26 -5.06 118.68 110.97 2xg4 s LEU 137 Ca 0.57 0.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 2xg4 s LEU 137 Cb -0.10 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2xg4 s LEU 137 CO 0.25 -0.28 0.31 0.42 0.23 0.00 0.00 176.35 177.27 2xg4 s THR 138 N -2.28 3.70 -0.51 5.49 -4.23 -1.26 -4.47 115.64 112.07 2xg4 s THR 138 Ca 0.40 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2xg4 s THR 138 Cb -0.10 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.51 2xg4 s THR 138 CO 0.35 -0.19 0.03 0.61 -0.54 0.00 0.00 174.62 174.88 2xg4 n GLY 139 N -1.39 -0.50 1.54 3.99 0.00 -1.26 -2.86 105.19 104.71 2xg4 n GLY 139 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2xg4 n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xg4 n ASN 140 N -1.67 0.00 -4.90 1.61 3.02 -1.26 -4.84 115.26 107.22 2xg4 n ASN 140 Ca -0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.21 2xg4 n ASN 140 Cb 0.55 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.80 2xg4 n ASN 140 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2xg4 s GLU 141 N -1.35 2.11 -0.08 3.52 4.04 -1.13 -4.95 118.70 120.85 2xg4 s GLU 141 Ca 0.00 0.08 0.02 0.00 0.04 0.00 0.00 54.97 55.12 2xg4 s GLU 141 Cb 0.00 -2.00 0.18 0.00 0.02 0.00 0.00 34.13 32.34 2xg4 s GLU 141 CO 0.00 -1.47 0.99 -1.91 -1.84 0.00 0.00 175.26 171.03 2xg4 n GLU 142 N -3.21 1.67 -4.95 -4.83 2.13 -1.26 -4.92 120.64 105.26 2xg4 n GLU 142 Ca 0.08 -0.76 -0.27 0.00 0.66 0.00 0.00 57.16 56.87 2xg4 n GLU 142 Cb 0.60 -1.51 -0.15 0.00 0.27 0.00 0.00 31.44 30.65 2xg4 n GLU 142 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2xg4 s ALA 143 N -1.15 1.73 -0.13 4.31 0.00 -1.26 -3.43 121.76 121.82 2xg4 s ALA 143 Ca 0.14 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 2xg4 s ALA 143 Cb 0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2xg4 s ALA 143 CO 0.03 0.42 0.60 -0.51 0.00 0.00 0.00 175.76 176.30 2xg4 s LEU 144 N -0.60 4.24 -0.13 0.00 1.43 0.19 -4.91 118.68 118.88 2xg4 s LEU 144 Ca 0.08 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2xg4 s LEU 144 Cb -0.08 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2xg4 s LEU 144 CO -0.00 -0.13 -0.16 -1.81 0.23 0.00 0.00 176.35 174.47 2xg4 s ASP 145 N 0.88 3.66 0.15 2.29 1.01 -1.26 -0.32 116.67 123.08 2xg4 s ASP 145 Ca 0.30 -0.44 0.06 0.00 0.71 0.00 0.00 52.55 53.19 2xg4 s ASP 145 Cb -0.16 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.18 2xg4 s ASP 145 CO 0.13 0.13 -0.14 -0.31 0.21 0.00 0.00 175.17 175.18 2xg4 s TYR 146 N 0.55 1.51 -0.08 4.23 1.51 -0.20 -3.88 117.35 120.98 2xg4 s TYR 146 Ca -0.10 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 2xg4 s TYR 146 Cb -0.16 -0.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 2xg4 s TYR 146 CO 0.04 0.21 -0.17 0.99 -1.11 0.00 0.00 175.55 175.50 2xg4 s THR 147 N -2.44 1.56 0.18 -0.71 2.01 0.24 -0.63 115.64 115.85 2xg4 s THR 147 Ca 0.14 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.50 2xg4 s THR 147 Cb -0.03 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2xg4 s THR 147 CO 0.04 0.45 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.84 2xg4 s LEU 148 N 0.57 2.94 0.01 4.42 2.34 0.29 -0.67 118.68 128.58 2xg4 s LEU 148 Ca -0.16 -0.59 -0.17 0.00 0.06 0.00 0.00 54.13 53.28 2xg4 s LEU 148 Cb -0.17 -1.64 0.03 0.00 -0.56 0.00 0.00 46.19 43.86 2xg4 s LEU 148 CO 0.05 0.11 0.38 0.00 -1.06 0.00 0.00 176.35 175.83 2xg4 s ARG 149 N -2.79 0.81 0.03 1.48 1.70 -0.62 -0.09 118.95 119.48 2xg4 s ARG 149 Ca 0.24 -0.25 -0.21 0.00 -0.47 0.00 0.00 55.73 55.04 2xg4 s ARG 149 Cb -0.09 0.36 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 2xg4 s ARG 149 CO 0.15 -0.25 0.62 0.42 -1.08 0.00 0.00 175.30 175.16 2xg4 s ILE 150 N -1.86 4.80 0.28 4.99 -1.09 -1.26 -0.64 121.20 126.42 2xg4 s ILE 150 Ca -0.09 1.31 0.03 0.00 -2.23 0.00 0.00 60.65 59.67 2xg4 s ILE 150 Cb -0.03 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 2xg4 s ILE 150 CO 0.02 0.46 0.05 0.68 -1.23 0.00 0.00 174.94 174.92 2xg4 s VAL 151 N -0.49 0.93 0.51 2.92 -7.23 -0.09 -0.83 120.40 116.12 2xg4 s VAL 151 Ca 0.32 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 2xg4 s VAL 151 Cb -0.19 -2.62 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 2xg4 s VAL 151 CO 0.19 -0.09 1.06 -0.13 -0.31 0.00 0.00 175.10 175.82 2xg4 s ARG 152 N -3.93 3.66 -0.03 4.82 0.52 -1.26 -0.81 118.95 121.91 2xg4 s ARG 152 Ca 0.35 1.40 0.10 0.00 -0.52 0.00 0.00 55.73 57.06 2xg4 s ARG 152 Cb 0.08 -2.07 0.30 0.00 0.52 0.00 0.00 34.95 33.77 2xg4 s ARG 152 CO 0.13 -0.56 1.24 0.27 0.02 0.00 0.00 175.30 176.41 2xg4 n ASN 153 N -1.14 2.93 0.00 0.23 6.94 -0.87 -4.51 115.26 118.84 2xg4 n ASN 153 Ca 0.10 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 2xg4 n ASN 153 Cb 0.52 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 2xg4 n ASN 153 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2xg4 n GLY 154 N 0.16 2.88 3.92 4.83 0.00 -1.26 -4.78 105.19 110.94 2xg4 n GLY 154 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2xg4 n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xg4 s LYS 155 N -0.39 2.57 0.23 1.61 0.00 -1.26 -5.03 119.74 117.47 2xg4 s LYS 155 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 55.97 55.61 2xg4 s LYS 155 Cb 0.00 -2.19 -0.09 0.00 0.00 0.00 0.00 37.83 35.55 2xg4 s LYS 155 CO 0.00 -0.99 1.29 -1.59 0.00 0.00 0.00 175.35 174.06 2xg4 s LYS 156 N -5.15 4.41 -0.04 1.78 0.00 -1.26 -4.51 119.74 114.96 2xg4 s LYS 156 Ca 0.57 2.05 -0.30 0.00 0.00 0.00 0.00 55.97 58.30 2xg4 s LYS 156 Cb -0.11 -3.18 -0.07 0.00 0.00 0.00 0.00 37.83 34.48 2xg4 s LYS 156 CO 0.46 -0.20 1.86 -0.51 0.00 0.00 0.00 175.35 176.96 2xg4 s LEU 157 N -0.50 4.27 -0.27 2.77 1.02 -1.26 -3.58 118.68 121.13 2xg4 s LEU 157 Ca 0.54 2.37 0.02 0.00 0.02 0.00 0.00 54.13 57.09 2xg4 s LEU 157 Cb -0.36 -3.53 0.07 0.00 0.02 0.00 0.00 46.19 42.38 2xg4 s LEU 157 CO 0.41 -1.11 -0.07 -1.61 0.02 0.00 0.00 176.35 173.99 2xg4 s GLU 158 N 4.50 1.94 1.01 1.70 2.02 -0.73 -4.96 118.70 124.19 2xg4 s GLU 158 Ca 0.83 -1.33 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 2xg4 s GLU 158 Cb -0.37 -2.84 0.20 0.00 0.10 0.00 0.00 34.13 31.22 2xg4 s GLU 158 CO 0.36 -0.64 1.10 0.00 0.02 0.00 0.00 175.26 176.10 2xg4 s ALA 159 N 1.16 0.72 0.00 5.21 0.00 -1.26 -0.90 121.76 126.69 2xg4 s ALA 159 Ca -0.05 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2xg4 s ALA 159 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2xg4 s ALA 159 CO -0.06 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 172.96 2xg4 n GLY 160 N 0.35 -2.24 3.80 0.00 0.00 -1.26 -4.57 105.19 101.26 2xg4 n GLY 160 Ca 0.08 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2xg4 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2xg4 s ASN 161 N -1.16 6.86 0.28 1.61 0.01 -1.26 -4.44 114.94 116.84 2xg4 s ASN 161 Ca 0.00 1.02 0.06 0.00 -0.71 0.00 0.00 52.86 53.23 2xg4 s ASN 161 Cb 0.00 -2.30 -0.06 0.00 0.41 0.00 0.00 41.25 39.30 2xg4 s ASN 161 CO 0.00 0.22 -0.04 -0.72 -1.51 0.00 0.00 177.10 175.05 2xg4 s TYR 162 N -0.60 1.93 0.06 2.20 -0.85 -1.26 -0.85 117.35 117.99 2xg4 s TYR 162 Ca 0.26 -0.74 -0.24 0.00 -0.52 0.00 0.00 57.07 55.83 2xg4 s TYR 162 Cb -0.17 -1.13 0.06 0.00 0.38 0.00 0.00 41.96 41.10 2xg4 s TYR 162 CO 0.14 0.23 0.57 -0.06 -1.52 0.00 0.00 175.55 174.91 2xg4 s PHE 163 N -3.07 -0.50 -0.10 -3.49 0.08 -0.87 -4.96 117.98 105.07 2xg4 s PHE 163 Ca 0.30 0.54 -0.16 0.00 0.12 0.00 0.00 56.93 57.74 2xg4 s PHE 163 Cb 0.05 0.42 0.04 0.00 -0.57 0.00 0.00 43.02 42.95 2xg4 s PHE 163 CO 0.12 -0.70 0.40 0.00 -0.10 0.00 0.00 175.22 174.93 2xg4 s ALA 164 N -2.65 -0.99 -0.27 5.36 0.00 -1.26 -0.99 121.76 120.96 2xg4 s ALA 164 Ca -0.04 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2xg4 s ALA 164 Cb -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2xg4 s ALA 164 CO -0.03 -0.23 0.32 0.08 0.00 0.00 0.00 175.76 175.90 2xg4 s VAL 165 N -0.37 5.22 -0.12 0.00 1.01 -1.26 -5.08 120.40 119.79 2xg4 s VAL 165 Ca -0.05 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 2xg4 s VAL 165 Cb -0.03 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2xg4 s VAL 165 CO 0.02 0.19 -0.01 -0.76 0.00 0.00 0.00 175.10 174.54 2xg4 s LEU 166 N 1.93 3.46 0.14 3.92 1.43 -1.26 -4.89 118.68 123.40 2xg4 s LEU 166 Ca 0.13 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 2xg4 s LEU 166 Cb -0.16 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 2xg4 s LEU 166 CO 0.10 0.28 1.04 -0.83 0.23 0.00 0.00 176.35 177.16 2xg4 s GLY 167 N -0.28 2.90 -0.28 -3.19 0.00 0.10 -4.92 107.32 101.65 2xg4 s GLY 167 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2xg4 s GLY 167 CO 0.02 1.58 -0.05 -0.12 0.00 0.00 0.00 173.10 174.53 2xg4 s PHE 168 N -0.06 3.28 -0.27 1.90 5.36 -1.26 -0.42 117.98 126.50 2xg4 s PHE 168 Ca 0.49 -2.09 -0.09 0.00 -0.96 0.00 0.00 56.93 54.27 2xg4 s PHE 168 Cb -0.26 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 2xg4 s PHE 168 CO 0.32 -0.84 0.13 0.50 -1.46 0.00 0.00 175.22 173.87 2xg4 s ARG 169 N 1.18 3.70 -0.41 10.12 3.52 0.80 -4.96 118.95 132.89 2xg4 s ARG 169 Ca -0.06 -0.47 -0.15 0.00 -0.13 0.00 0.00 55.73 54.92 2xg4 s ARG 169 Cb -0.20 -3.50 0.02 0.00 -1.56 0.00 0.00 34.95 29.71 2xg4 s ARG 169 CO -0.03 -0.23 0.30 0.08 -0.81 0.00 0.00 175.30 174.60 2xg4 s VAL 170 N 1.67 5.18 -0.23 7.11 1.01 -1.26 -1.49 120.40 132.38 2xg4 s VAL 170 Ca 0.06 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 2xg4 s VAL 170 Cb -0.16 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2xg4 s VAL 170 CO 0.07 -0.32 0.44 -1.81 0.00 0.00 0.00 175.10 173.48 2xg4 s ASP 171 N 1.73 6.41 -0.11 3.32 1.01 0.52 -4.93 116.67 124.62 2xg4 s ASP 171 Ca 0.05 0.48 -0.18 0.00 0.71 0.00 0.00 52.55 53.61 2xg4 s ASP 171 Cb -0.19 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2xg4 s ASP 171 CO 0.09 -0.17 0.47 -0.31 0.21 0.00 0.00 175.17 175.46 2xg4 s TYR 172 N 1.81 3.52 -2.00 4.23 1.51 -1.26 -0.58 117.35 124.58 2xg4 s TYR 172 Ca 0.19 0.88 0.18 0.00 -1.01 0.00 0.00 57.07 57.32 2xg4 s TYR 172 Cb -0.15 -2.53 1.06 0.00 -0.11 0.00 0.00 41.96 40.23 2xg4 s TYR 172 CO 0.09 0.19 1.46 0.39 -1.11 0.00 0.00 175.55 176.58