#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw4 s MET 1 N 0.00 2.60 0.11 -0.52 -1.94 -1.26 -5.05 119.30 113.25 2gw4 s MET 1 Ca 0.00 -1.86 -0.35 0.00 -1.71 0.00 0.00 55.69 51.77 2gw4 s MET 1 Cb 0.00 -3.98 -0.15 0.00 2.01 0.00 0.00 34.83 32.71 2gw4 s MET 1 CO 0.00 -1.21 1.51 0.45 -0.01 0.00 0.00 175.02 175.76 2gw4 n SER 2 N 4.79 2.59 -1.09 3.03 2.88 -1.26 -4.90 113.62 119.67 2gw4 n SER 2 Ca -0.06 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.66 2gw4 n SER 2 Cb 0.41 -1.34 0.26 0.00 -0.75 0.00 0.00 64.21 62.79 2gw4 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gw4 n LEU 3 N 3.30 3.59 -4.74 2.46 4.77 -1.26 -4.98 117.00 120.14 2gw4 n LEU 3 Ca 0.18 -2.01 -0.42 0.00 -0.03 0.00 0.00 56.01 53.73 2gw4 n LEU 3 Cb 0.25 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2gw4 n LEU 3 CO 0.64 0.89 1.27 -0.38 -1.33 0.00 0.00 177.39 178.47 2gw4 n ILE 4 N 1.21 0.86 -2.67 -0.08 5.41 -1.26 -4.98 119.36 117.85 2gw4 n ILE 4 Ca 0.20 -0.21 -0.26 0.00 1.00 0.00 0.00 62.75 63.47 2gw4 n ILE 4 Cb 0.56 -1.97 0.01 0.00 -0.71 0.00 0.00 39.64 37.53 2gw4 n ILE 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2gw4 s LYS 5 N -0.24 3.29 0.59 0.38 1.02 -1.26 -4.98 119.74 118.55 2gw4 s LYS 5 Ca 0.66 0.00 0.34 0.00 0.02 0.00 0.00 55.97 56.99 2gw4 s LYS 5 Cb -0.50 -2.39 1.89 0.00 -0.52 0.00 0.00 37.83 36.31 2gw4 s LYS 5 CO 0.46 -0.34 2.23 -1.35 -0.92 0.00 0.00 175.35 175.44 2gw4 h PRO 6 N 0.17 0.00 -4.55 -1.68 0.11 -1.93 -3.40 132.00 120.71 2gw4 h PRO 6 Ca -0.47 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 2gw4 h PRO 6 Cb 1.23 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.99 2gw4 h PRO 6 CO 0.61 0.03 -0.82 -2.00 -0.21 0.00 0.00 178.00 175.61 2gw4 s GLU 7 N -4.34 1.84 0.07 1.05 2.56 -1.26 -3.82 118.70 114.80 2gw4 s GLU 7 Ca -0.04 -0.43 0.02 0.00 0.00 0.00 0.00 54.97 54.51 2gw4 s GLU 7 Cb 0.14 -1.60 -0.04 0.00 2.00 0.00 0.00 34.13 34.63 2gw4 s GLU 7 CO 0.52 -0.06 -0.07 -1.64 -0.56 0.00 0.00 175.26 173.45 2gw4 s MET 8 N 0.97 0.71 0.28 4.30 -1.94 -0.66 -5.01 119.30 117.96 2gw4 s MET 8 Ca -0.08 -1.12 0.07 0.00 -1.71 0.00 0.00 55.69 52.85 2gw4 s MET 8 Cb -0.15 -0.20 -0.03 0.00 2.01 0.00 0.00 34.83 36.46 2gw4 s MET 8 CO -0.00 -0.00 0.31 0.15 -0.01 0.00 0.00 175.02 175.46 2gw4 s LYS 9 N -3.02 3.04 -0.02 2.03 1.02 -1.26 -1.16 119.74 120.37 2gw4 s LYS 9 Ca 0.04 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 55.00 2gw4 s LYS 9 Cb -0.00 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 2gw4 s LYS 9 CO -0.03 0.28 -0.01 0.42 -0.92 0.00 0.00 175.35 175.08 2gw4 s ILE 10 N -2.14 0.21 -0.03 2.17 1.01 0.32 -4.84 121.20 117.90 2gw4 s ILE 10 Ca 0.37 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.05 2gw4 s ILE 10 Cb -0.08 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 2gw4 s ILE 10 CO 0.27 0.11 -0.17 -0.54 0.00 0.00 0.00 174.94 174.61 2gw4 s LYS 11 N 0.49 1.55 -0.02 2.79 -0.14 -1.26 -0.69 119.74 122.45 2gw4 s LYS 11 Ca -0.05 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 53.85 2gw4 s LYS 11 Cb -0.08 -1.42 0.01 0.00 -1.68 0.00 0.00 37.83 34.66 2gw4 s LYS 11 CO -0.01 0.31 0.23 -1.17 -0.76 0.00 0.00 175.35 173.96 2gw4 s LEU 12 N -0.21 1.17 -0.07 3.17 0.20 0.15 -4.97 118.68 118.11 2gw4 s LEU 12 Ca 0.02 0.05 -0.02 0.00 0.69 0.00 0.00 54.13 54.86 2gw4 s LEU 12 Cb -0.09 0.95 0.04 0.00 -0.43 0.00 0.00 46.19 46.66 2gw4 s LEU 12 CO 0.00 -0.35 0.05 -0.22 -0.29 0.00 0.00 176.35 175.55 2gw4 s LEU 13 N -1.08 0.29 -0.14 -0.68 2.96 -1.26 -0.52 118.68 118.26 2gw4 s LEU 13 Ca -0.11 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2gw4 s LEU 13 Cb -0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 2gw4 s LEU 13 CO 0.02 -0.26 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.37 2gw4 s MET 14 N 2.12 3.46 -0.14 1.98 -2.45 0.50 -4.99 119.30 119.77 2gw4 s MET 14 Ca 0.04 -0.64 0.01 0.00 -1.25 0.00 0.00 55.69 53.85 2gw4 s MET 14 Cb -0.13 -2.72 -0.00 0.00 1.25 0.00 0.00 34.83 33.23 2gw4 s MET 14 CO -0.05 0.20 -0.17 -1.21 1.05 0.00 0.00 175.02 174.85 2gw4 s GLU 15 N 0.40 3.21 0.30 4.11 2.02 -1.26 -1.05 118.70 126.42 2gw4 s GLU 15 Ca -0.09 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.07 2gw4 s GLU 15 Cb -0.15 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.52 2gw4 s GLU 15 CO 0.05 0.09 0.46 0.20 0.02 0.00 0.00 175.26 176.07 2gw4 s GLY 16 N 0.63 1.08 -0.23 -1.39 0.00 -0.51 -5.03 107.32 101.88 2gw4 s GLY 16 Ca -0.09 -1.26 -0.07 0.00 0.00 0.00 0.00 44.72 43.29 2gw4 s GLY 16 CO 0.03 -0.87 0.48 0.21 0.00 0.00 0.00 173.10 172.95 2gw4 s ASN 17 N -3.14 -0.49 -0.15 1.64 3.84 -1.26 -1.29 114.94 114.09 2gw4 s ASN 17 Ca 0.28 1.11 0.01 0.00 0.21 0.00 0.00 52.86 54.47 2gw4 s ASN 17 Cb -0.00 1.61 0.02 0.00 -0.55 0.00 0.00 41.25 42.33 2gw4 s ASN 17 CO 0.15 -0.23 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.37 2gw4 s VAL 18 N 2.69 1.76 -1.40 -5.21 1.01 -0.52 -4.72 120.40 114.00 2gw4 s VAL 18 Ca -0.02 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2gw4 s VAL 18 Cb -0.12 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 34.74 2gw4 s VAL 18 CO -0.15 0.49 0.61 0.59 0.00 0.00 0.00 175.10 176.65 2gw4 n ASN 19 N 4.52 -3.79 0.00 3.32 4.13 -1.26 -0.61 115.26 121.57 2gw4 n ASN 19 Ca -0.19 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.51 2gw4 n ASN 19 Cb 0.50 -3.11 0.00 0.00 -1.54 0.00 0.00 39.78 35.63 2gw4 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gw4 n GLY 20 N -1.28 1.70 3.57 7.41 0.00 -1.26 -5.03 105.19 110.29 2gw4 n GLY 20 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2gw4 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gw4 s HIS 21 N -2.33 3.09 0.25 1.61 5.04 0.22 -5.04 115.29 118.12 2gw4 s HIS 21 Ca 0.00 0.42 -0.21 0.00 -1.54 0.00 0.00 55.06 53.73 2gw4 s HIS 21 Cb 0.00 -3.41 -0.09 0.00 0.04 0.00 0.00 32.58 29.13 2gw4 s HIS 21 CO 0.00 -0.77 0.78 -1.14 -2.34 0.00 0.00 174.74 171.27 2gw4 s GLN 22 N 3.06 4.35 0.19 2.88 0.74 -1.26 -1.44 119.66 128.17 2gw4 s GLN 22 Ca 0.30 0.99 -0.21 0.00 0.05 0.00 0.00 55.36 56.49 2gw4 s GLN 22 Cb -0.13 -2.87 0.05 0.00 1.10 0.00 0.00 33.01 31.15 2gw4 s GLN 22 CO 0.18 0.37 0.58 -0.59 -0.55 0.00 0.00 175.29 175.28 2gw4 s PHE 23 N -1.53 -0.35 -0.03 1.67 -0.71 -0.41 -4.15 117.98 112.47 2gw4 s PHE 23 Ca 0.44 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 56.39 2gw4 s PHE 23 Cb -0.17 0.52 0.02 0.00 -1.21 0.00 0.00 43.02 42.17 2gw4 s PHE 23 CO 0.22 -0.92 -0.02 0.08 -1.34 0.00 0.00 175.22 173.24 2gw4 s VAL 24 N -3.81 0.28 -0.04 -2.49 1.01 -0.50 -1.42 120.40 113.44 2gw4 s VAL 24 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2gw4 s VAL 24 Cb -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2gw4 s VAL 24 CO -0.07 0.15 -0.13 -0.63 0.00 0.00 0.00 175.10 174.42 2gw4 s ILE 25 N 0.74 1.10 -0.01 2.22 1.01 -0.22 -0.21 121.20 125.83 2gw4 s ILE 25 Ca -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2gw4 s ILE 25 Cb -0.11 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 2gw4 s ILE 25 CO -0.01 0.33 -0.06 -1.61 0.00 0.00 0.00 174.94 173.59 2gw4 s GLU 26 N 0.14 2.61 0.01 2.79 2.02 -0.08 -0.37 118.70 125.82 2gw4 s GLU 26 Ca -0.04 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.32 2gw4 s GLU 26 Cb -0.10 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 2gw4 s GLU 26 CO 0.01 0.62 -0.13 0.20 0.02 0.00 0.00 175.26 175.98 2gw4 s GLY 27 N -1.27 0.69 -0.11 -1.39 0.00 0.32 -0.87 107.32 104.69 2gw4 s GLY 27 Ca 0.16 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.19 2gw4 s GLY 27 CO 0.06 -0.61 0.02 -0.35 0.00 0.00 0.00 173.10 172.22 2gw4 s ASP 28 N -0.68 1.99 0.00 1.64 3.68 -0.55 -0.67 116.67 122.08 2gw4 s ASP 28 Ca 0.03 -0.32 0.00 0.00 2.13 0.00 0.00 52.55 54.39 2gw4 s ASP 28 Cb -0.06 -0.45 0.00 0.00 -1.45 0.00 0.00 42.92 40.95 2gw4 s ASP 28 CO 0.00 -0.24 0.00 0.61 0.13 0.00 0.00 175.17 175.67 2gw4 n GLY 29 N 5.14 4.13 3.78 2.66 0.00 0.13 -0.55 105.19 120.46 2gw4 n GLY 29 Ca -0.07 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2gw4 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gw4 s LYS 30 N 0.42 1.29 0.10 1.61 0.00 -0.60 -0.52 119.74 122.05 2gw4 s LYS 30 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 55.97 54.99 2gw4 s LYS 30 Cb 0.00 0.43 0.09 0.00 0.00 0.00 0.00 37.83 38.35 2gw4 s LYS 30 CO 0.00 -0.59 1.11 0.20 0.00 0.00 0.00 175.35 176.07 2gw4 s GLY 31 N -2.97 -0.13 -0.50 0.59 0.00 -0.31 -1.30 107.32 102.70 2gw4 s GLY 31 Ca 0.13 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.93 2gw4 s GLY 31 CO 0.03 1.81 0.26 0.30 0.00 0.00 0.00 173.10 175.50 2gw4 s HIS 32 N -2.48 3.36 0.26 1.90 3.76 0.91 -1.64 115.29 121.37 2gw4 s HIS 32 Ca 0.19 -3.00 -0.02 0.00 -0.15 0.00 0.00 55.06 52.08 2gw4 s HIS 32 Cb -0.00 -2.95 0.57 0.00 1.11 0.00 0.00 32.58 31.31 2gw4 s HIS 32 CO 0.02 -0.82 1.67 -1.35 -0.85 0.00 0.00 174.74 173.41 2gw4 h PRO 33 N 6.91 0.25 0.00 8.40 0.11 -1.78 -0.61 132.00 145.28 2gw4 h PRO 33 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2gw4 h PRO 33 Cb 0.94 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2gw4 h PRO 33 CO 0.67 0.17 0.00 1.19 -0.21 0.00 0.00 178.00 179.81 2gw4 n PHE 34 N -5.18 0.00 0.58 0.65 3.01 -1.26 -2.52 117.46 112.74 2gw4 n PHE 34 Ca 0.17 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.74 2gw4 n PHE 34 Cb 0.55 -0.48 -0.11 0.00 -0.01 0.00 0.00 39.48 39.43 2gw4 n PHE 34 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2gw4 n GLU 35 N -1.48 0.28 -2.41 -1.08 1.02 -0.36 -4.98 120.64 111.61 2gw4 n GLU 35 Ca 0.07 -0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2gw4 n GLU 35 Cb 0.31 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2gw4 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gw4 n GLY 36 N 1.40 0.05 3.15 0.62 0.00 -0.45 -5.03 105.19 104.92 2gw4 n GLY 36 Ca 0.01 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2gw4 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gw4 s LYS 37 N -4.79 1.12 0.10 1.61 1.02 -1.12 -5.03 119.74 112.65 2gw4 s LYS 37 Ca 0.07 -0.67 -0.16 0.00 0.02 0.00 0.00 55.97 55.23 2gw4 s LYS 37 Cb -0.03 -1.13 0.03 0.00 -0.52 0.00 0.00 37.83 36.19 2gw4 s LYS 37 CO 0.09 0.29 0.40 1.14 -0.92 0.00 0.00 175.35 176.35 2gw4 s GLN 38 N -0.77 1.01 0.06 1.68 -2.07 -1.26 -0.06 119.66 118.25 2gw4 s GLN 38 Ca 0.04 -0.61 -0.08 0.00 -1.82 0.00 0.00 55.36 52.89 2gw4 s GLN 38 Cb -0.07 0.45 -0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2gw4 s GLN 38 CO 0.00 -0.38 0.17 -1.54 -1.32 0.00 0.00 175.29 172.22 2gw4 s SER 39 N -2.57 0.10 -0.08 12.60 1.04 -0.42 -5.00 113.70 119.38 2gw4 s SER 39 Ca 0.01 -0.51 -0.23 0.00 0.48 0.00 0.00 55.95 55.70 2gw4 s SER 39 Cb 0.01 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2gw4 s SER 39 CO -0.09 -0.61 0.53 -0.32 0.98 0.00 0.00 173.24 173.73 2gw4 s MET 40 N -3.04 0.83 -0.27 4.02 0.00 -1.26 -1.55 119.30 118.02 2gw4 s MET 40 Ca -0.01 0.25 -0.11 0.00 0.00 0.00 0.00 55.69 55.82 2gw4 s MET 40 Cb 0.01 0.39 -0.05 0.00 0.00 0.00 0.00 34.83 35.18 2gw4 s MET 40 CO -0.07 -0.22 0.19 -0.51 0.00 0.00 0.00 175.02 174.42 2gw4 s ASP 41 N -0.84 6.05 -0.10 1.11 1.01 0.28 -4.94 116.67 119.25 2gw4 s ASP 41 Ca -0.09 0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.19 2gw4 s ASP 41 Cb -0.03 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 2gw4 s ASP 41 CO 0.06 -0.03 -0.08 -0.76 0.21 0.00 0.00 175.17 174.57 2gw4 s LEU 42 N 1.64 3.08 -0.05 1.23 1.43 -1.26 -1.48 118.68 123.27 2gw4 s LEU 42 Ca 0.07 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2gw4 s LEU 42 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 2gw4 s LEU 42 CO 0.10 0.28 -0.08 -0.69 0.23 0.00 0.00 176.35 176.19 2gw4 s VAL 43 N -0.34 0.80 -0.33 -1.59 1.01 -0.05 -4.98 120.40 114.92 2gw4 s VAL 43 Ca 0.05 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2gw4 s VAL 43 Cb -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2gw4 s VAL 43 CO 0.02 0.28 1.12 -0.69 0.00 0.00 0.00 175.10 175.84 2gw4 s VAL 44 N 0.82 4.41 -0.13 2.92 1.01 -1.26 -0.90 120.40 127.27 2gw4 s VAL 44 Ca -0.12 1.60 0.18 0.00 0.00 0.00 0.00 61.98 63.64 2gw4 s VAL 44 Cb -0.15 -4.39 -0.19 0.00 0.00 0.00 0.00 36.38 31.64 2gw4 s VAL 44 CO 0.02 -0.54 0.61 0.29 0.00 0.00 0.00 175.10 175.47 2gw4 n LYS 45 N 7.06 0.64 -3.80 2.72 4.76 0.71 -4.85 118.16 125.40 2gw4 n LYS 45 Ca 0.12 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 2gw4 n LYS 45 Cb 0.47 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.86 2gw4 n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2gw4 s GLU 46 N -2.97 0.39 0.00 1.97 2.02 -1.05 -4.90 118.70 114.17 2gw4 s GLU 46 Ca -0.05 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2gw4 s GLU 46 Cb 0.09 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2gw4 s GLU 46 CO 0.83 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.45 2gw4 n GLY 47 N 2.34 0.69 3.75 -1.39 0.00 -1.26 -1.40 105.19 107.92 2gw4 n GLY 47 Ca -0.16 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2gw4 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gw4 s ALA 48 N -2.00 3.35 0.15 4.61 0.00 -1.26 -3.44 121.76 123.17 2gw4 s ALA 48 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.48 2gw4 s ALA 48 Cb 0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 2gw4 s ALA 48 CO 0.00 0.12 0.57 -1.25 0.00 0.00 0.00 175.76 175.20 2gw4 s PRO 49 N -1.15 4.02 0.24 0.00 0.04 -1.26 -5.11 135.00 131.79 2gw4 s PRO 49 Ca 0.42 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2gw4 s PRO 49 Cb -0.27 -2.95 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 2gw4 s PRO 49 CO 0.34 0.48 1.51 -0.51 0.04 0.00 0.00 177.00 178.85 2gw4 s LEU 50 N -1.89 4.37 -0.09 -3.56 1.43 -1.22 -4.90 118.68 112.81 2gw4 s LEU 50 Ca 0.38 2.73 0.10 0.00 -1.03 0.00 0.00 54.13 56.31 2gw4 s LEU 50 Cb -0.15 -3.62 0.45 0.00 0.03 0.00 0.00 46.19 42.89 2gw4 s LEU 50 CO 0.19 -0.78 1.26 -0.81 0.23 0.00 0.00 176.35 176.45 2gw4 n PRO 51 N 2.61 2.85 -4.18 1.29 -0.04 -1.26 -4.92 135.00 131.34 2gw4 n PRO 51 Ca 0.08 -1.75 -0.11 0.00 -0.04 0.00 0.00 63.50 61.68 2gw4 n PRO 51 Cb 0.39 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 2gw4 n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2gw4 s PHE 52 N -1.82 1.04 -0.03 0.54 -0.12 -1.26 -5.11 117.98 111.22 2gw4 s PHE 52 Ca 0.31 -1.29 -0.30 0.00 -0.05 0.00 0.00 56.93 55.61 2gw4 s PHE 52 Cb 0.21 -0.55 -0.08 0.00 -0.63 0.00 0.00 43.02 41.98 2gw4 s PHE 52 CO 0.13 -0.55 1.98 0.00 -0.05 0.00 0.00 175.22 176.73 2gw4 s ALA 53 N -4.06 3.41 0.44 1.99 0.00 -1.26 -4.87 121.76 117.41 2gw4 s ALA 53 Ca 0.31 1.16 0.12 0.00 0.00 0.00 0.00 51.96 53.56 2gw4 s ALA 53 Cb 0.07 -3.88 1.03 0.00 0.00 0.00 0.00 23.12 20.34 2gw4 s ALA 53 CO 0.07 -1.81 2.03 -0.92 0.00 0.00 0.00 175.76 175.14 2gw4 h TYR 54 N 11.38 0.37 -0.93 0.00 5.03 -1.99 -2.68 116.97 128.14 2gw4 h TYR 54 Ca -0.47 0.01 0.24 0.00 2.58 0.00 0.00 58.73 61.09 2gw4 h TYR 54 Cb 1.23 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 39.33 2gw4 h TYR 54 CO 0.95 0.21 0.63 -0.44 -1.32 0.00 0.00 178.16 178.19 2gw4 h ASP 55 N 0.38 0.27 0.41 -2.11 3.45 -2.02 -0.40 116.42 116.40 2gw4 h ASP 55 Ca 0.19 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 2gw4 h ASP 55 Cb 0.27 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.03 2gw4 h ASP 55 CO -0.04 0.09 -0.02 0.16 -1.57 0.00 0.00 179.24 177.86 2gw4 h ILE 56 N 0.26 0.11 0.00 0.35 3.07 -1.88 -3.01 117.51 116.42 2gw4 h ILE 56 Ca 0.48 -0.27 -0.23 0.00 1.55 0.00 0.00 64.86 66.39 2gw4 h ILE 56 Cb 1.44 1.23 -0.04 0.00 -0.27 0.00 0.00 36.82 39.18 2gw4 h ILE 56 CO -0.14 0.02 -1.54 -0.07 -1.05 0.00 0.00 178.15 175.37 2gw4 h LEU 57 N 0.00 0.00 -0.98 0.16 3.38 -1.27 -3.42 115.31 113.18 2gw4 h LEU 57 Ca -0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 2gw4 h LEU 57 Cb 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 2gw4 h LEU 57 CO 0.00 0.80 0.56 0.71 0.09 0.00 0.00 178.44 180.60 2gw4 h THR 58 N 0.00 0.58 0.00 0.22 1.35 -1.53 -0.20 112.91 113.33 2gw4 h THR 58 Ca -0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2gw4 h THR 58 Cb 1.80 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2gw4 h THR 58 CO 0.06 0.11 0.00 0.35 -0.25 0.00 0.00 175.52 175.79 2gw4 n THR 59 N -4.88 0.41 1.51 6.82 -2.24 -1.26 -5.17 114.28 109.47 2gw4 n THR 59 Ca 0.25 0.10 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 2gw4 n THR 59 Cb 0.67 -0.75 0.53 0.00 -2.10 0.00 0.00 70.33 68.68 2gw4 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50