#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw3 s MET 1 N 0.00 2.57 0.19 -0.52 -1.94 -1.26 -4.86 119.30 113.48 2gw3 s MET 1 Ca 0.00 -1.60 -0.33 0.00 -1.71 0.00 0.00 55.69 52.05 2gw3 s MET 1 Cb 0.00 -3.87 -0.13 0.00 2.01 0.00 0.00 34.83 32.83 2gw3 s MET 1 CO 0.00 -1.08 1.56 0.45 -0.01 0.00 0.00 175.02 175.95 2gw3 n SER 2 N 4.93 3.21 -1.03 3.03 2.88 -1.26 -4.91 113.62 120.47 2gw3 n SER 2 Ca -0.09 1.10 0.09 0.00 -1.33 0.00 0.00 58.87 58.63 2gw3 n SER 2 Cb 0.42 -1.46 0.25 0.00 -0.75 0.00 0.00 64.21 62.66 2gw3 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gw3 n LEU 3 N 3.12 3.54 -4.76 2.46 4.77 -1.26 -4.98 117.00 119.89 2gw3 n LEU 3 Ca 0.15 -2.05 -0.41 0.00 -0.03 0.00 0.00 56.01 53.66 2gw3 n LEU 3 Cb 0.31 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2gw3 n LEU 3 CO 0.63 0.85 1.23 -0.63 -1.33 0.00 0.00 177.39 178.15 2gw3 s ILE 4 N -1.10 2.01 0.51 -0.08 1.01 -1.26 -4.98 121.20 117.32 2gw3 s ILE 4 Ca 0.37 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 2gw3 s ILE 4 Cb 0.20 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2gw3 s ILE 4 CO 0.24 0.00 0.79 -0.54 0.00 0.00 0.00 174.94 175.44 2gw3 s LYS 5 N -0.88 3.16 0.61 2.79 1.02 -1.26 -4.98 119.74 120.20 2gw3 s LYS 5 Ca 0.61 -0.08 0.39 0.00 0.02 0.00 0.00 55.97 56.91 2gw3 s LYS 5 Cb -0.48 -2.39 1.93 0.00 -0.52 0.00 0.00 37.83 36.36 2gw3 s LYS 5 CO 0.52 -0.41 2.19 -1.35 -0.92 0.00 0.00 175.35 175.38 2gw3 h PRO 6 N 0.13 0.00 -4.39 -1.68 0.11 -1.94 -3.40 132.00 120.83 2gw3 h PRO 6 Ca -0.46 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.14 2gw3 h PRO 6 Cb 1.24 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.00 2gw3 h PRO 6 CO 0.60 0.00 -0.81 -2.00 -0.21 0.00 0.00 178.00 175.58 2gw3 s GLU 7 N -3.91 1.58 0.09 1.05 2.56 -1.26 -3.91 118.70 114.90 2gw3 s GLU 7 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 54.97 54.63 2gw3 s GLU 7 Cb 0.11 -1.43 -0.04 0.00 2.00 0.00 0.00 34.13 34.77 2gw3 s GLU 7 CO 0.47 -0.09 -0.07 -1.64 -0.56 0.00 0.00 175.26 173.38 2gw3 s MET 8 N 1.06 0.80 0.32 4.30 -1.94 -0.51 -5.00 119.30 118.33 2gw3 s MET 8 Ca -0.07 -1.28 0.07 0.00 -1.71 0.00 0.00 55.69 52.71 2gw3 s MET 8 Cb -0.15 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.46 2gw3 s MET 8 CO -0.01 -0.01 0.26 0.15 -0.01 0.00 0.00 175.02 175.40 2gw3 s LYS 9 N -3.61 2.72 -0.01 2.03 1.02 0.21 -1.19 119.74 120.91 2gw3 s LYS 9 Ca 0.10 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2gw3 s LYS 9 Cb 0.04 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2gw3 s LYS 9 CO -0.04 0.15 0.02 0.42 -0.92 0.00 0.00 175.35 174.97 2gw3 s ILE 10 N -2.29 -0.02 -0.04 2.17 1.01 0.20 -0.82 121.20 121.43 2gw3 s ILE 10 Ca 0.39 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.21 2gw3 s ILE 10 Cb -0.06 -0.07 -0.01 0.00 0.01 0.00 0.00 42.46 42.34 2gw3 s ILE 10 CO 0.26 0.06 -0.17 -0.54 0.00 0.00 0.00 174.94 174.54 2gw3 s LYS 11 N 0.63 1.70 -0.03 2.79 -0.14 0.04 -0.80 119.74 123.93 2gw3 s LYS 11 Ca -0.05 -0.61 -0.07 0.00 -1.36 0.00 0.00 55.97 53.87 2gw3 s LYS 11 Cb -0.08 -1.51 0.01 0.00 -1.68 0.00 0.00 37.83 34.57 2gw3 s LYS 11 CO -0.02 0.27 0.17 -1.17 -0.76 0.00 0.00 175.35 173.84 2gw3 s LEU 12 N -0.06 1.41 -0.06 3.17 0.20 -0.10 -0.93 118.68 122.31 2gw3 s LEU 12 Ca -0.01 0.07 -0.01 0.00 0.69 0.00 0.00 54.13 54.86 2gw3 s LEU 12 Cb -0.10 0.68 0.03 0.00 -0.43 0.00 0.00 46.19 46.36 2gw3 s LEU 12 CO 0.02 -0.23 0.01 -0.22 -0.29 0.00 0.00 176.35 175.64 2gw3 s LEU 13 N -0.70 0.59 -0.14 -0.68 2.96 -0.60 -0.47 118.68 119.64 2gw3 s LEU 13 Ca -0.08 -0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 2gw3 s LEU 13 Cb -0.05 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.28 2gw3 s LEU 13 CO 0.01 -0.19 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.40 2gw3 s MET 14 N 1.85 3.37 -0.15 1.98 -2.45 0.27 -1.00 119.30 123.18 2gw3 s MET 14 Ca 0.02 -0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 53.76 2gw3 s MET 14 Cb -0.12 -2.64 -0.02 0.00 1.25 0.00 0.00 34.83 33.30 2gw3 s MET 14 CO -0.04 0.18 -0.10 -1.21 1.05 0.00 0.00 175.02 174.90 2gw3 s GLU 15 N 0.43 3.43 0.23 4.11 2.02 -0.45 -1.06 118.70 127.41 2gw3 s GLU 15 Ca -0.10 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 2gw3 s GLU 15 Cb -0.16 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 2gw3 s GLU 15 CO 0.05 0.14 0.29 0.20 0.02 0.00 0.00 175.26 175.96 2gw3 s GLY 16 N 0.55 1.15 -0.25 -1.39 0.00 -0.25 -1.65 107.32 105.49 2gw3 s GLY 16 Ca -0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.20 2gw3 s GLY 16 CO 0.03 -1.09 0.48 0.21 0.00 0.00 0.00 173.10 172.73 2gw3 s ASN 17 N -3.12 -0.46 -0.14 1.64 3.84 -0.29 -1.32 114.94 115.09 2gw3 s ASN 17 Ca 0.32 0.85 0.02 0.00 0.21 0.00 0.00 52.86 54.26 2gw3 s ASN 17 Cb 0.03 1.58 0.02 0.00 -0.55 0.00 0.00 41.25 42.33 2gw3 s ASN 17 CO 0.12 -0.25 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.30 2gw3 s VAL 18 N 2.68 1.83 -1.30 -5.21 1.01 -0.48 -1.01 120.40 117.93 2gw3 s VAL 18 Ca 0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 2gw3 s VAL 18 Cb -0.13 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.67 2gw3 s VAL 18 CO -0.16 0.50 0.50 0.59 0.00 0.00 0.00 175.10 176.53 2gw3 n ASN 19 N 4.38 -3.70 0.00 3.32 4.13 0.31 -0.48 115.26 123.21 2gw3 n ASN 19 Ca -0.19 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.66 2gw3 n ASN 19 Cb 0.51 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 2gw3 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gw3 n GLY 20 N -1.18 1.10 3.58 7.41 0.00 -1.26 -5.03 105.19 109.81 2gw3 n GLY 20 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2gw3 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gw3 s HIS 21 N -2.32 3.16 0.21 1.61 5.04 0.36 -5.05 115.29 118.30 2gw3 s HIS 21 Ca 0.00 0.48 -0.19 0.00 -1.54 0.00 0.00 55.06 53.81 2gw3 s HIS 21 Cb 0.00 -3.17 -0.08 0.00 0.04 0.00 0.00 32.58 29.37 2gw3 s HIS 21 CO 0.00 -0.62 0.69 -1.14 -2.34 0.00 0.00 174.74 171.34 2gw3 s GLN 22 N 2.80 4.20 0.20 2.88 0.74 -1.26 -1.38 119.66 127.83 2gw3 s GLN 22 Ca 0.27 0.79 -0.20 0.00 0.05 0.00 0.00 55.36 56.27 2gw3 s GLN 22 Cb -0.14 -2.88 0.04 0.00 1.10 0.00 0.00 33.01 31.13 2gw3 s GLN 22 CO 0.14 0.40 0.58 -0.59 -0.55 0.00 0.00 175.29 175.28 2gw3 s PHE 23 N -1.52 -0.25 -0.02 1.67 -0.71 -0.43 -4.18 117.98 112.53 2gw3 s PHE 23 Ca 0.42 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.25 2gw3 s PHE 23 Cb -0.16 0.49 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 2gw3 s PHE 23 CO 0.21 -0.95 -0.01 0.08 -1.34 0.00 0.00 175.22 173.21 2gw3 s VAL 24 N -3.84 0.19 -0.03 -2.49 1.01 -0.72 -1.09 120.40 113.43 2gw3 s VAL 24 Ca 0.07 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2gw3 s VAL 24 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 2gw3 s VAL 24 CO -0.04 0.11 -0.12 -0.63 0.00 0.00 0.00 175.10 174.42 2gw3 s ILE 25 N 0.65 1.00 -0.06 2.22 1.01 -0.22 -0.31 121.20 125.49 2gw3 s ILE 25 Ca -0.06 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2gw3 s ILE 25 Cb -0.09 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2gw3 s ILE 25 CO -0.01 0.30 -0.08 -1.61 0.00 0.00 0.00 174.94 173.53 2gw3 s GLU 26 N 0.04 2.69 -0.01 2.79 2.02 -0.26 -0.56 118.70 125.41 2gw3 s GLU 26 Ca -0.01 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.46 2gw3 s GLU 26 Cb -0.08 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 2gw3 s GLU 26 CO 0.01 0.66 -0.20 0.20 0.02 0.00 0.00 175.26 175.94 2gw3 s GLY 27 N -0.81 1.01 -0.11 -1.39 0.00 0.38 -0.78 107.32 105.62 2gw3 s GLY 27 Ca 0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 2gw3 s GLY 27 CO 0.01 -0.76 -0.01 -0.35 0.00 0.00 0.00 173.10 171.99 2gw3 s ASP 28 N -0.58 2.04 0.00 1.64 3.68 -0.31 -0.93 116.67 122.22 2gw3 s ASP 28 Ca 0.08 -0.30 0.00 0.00 2.13 0.00 0.00 52.55 54.45 2gw3 s ASP 28 Cb -0.08 -0.60 0.00 0.00 -1.45 0.00 0.00 42.92 40.79 2gw3 s ASP 28 CO -0.00 -0.19 0.00 0.61 0.13 0.00 0.00 175.17 175.71 2gw3 n GLY 29 N 5.06 3.52 3.77 2.66 0.00 0.02 -0.43 105.19 119.79 2gw3 n GLY 29 Ca -0.09 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 2gw3 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gw3 s LYS 30 N -0.81 1.47 0.13 1.61 0.00 -0.56 -0.63 119.74 120.95 2gw3 s LYS 30 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 55.97 54.94 2gw3 s LYS 30 Cb 0.00 0.52 0.08 0.00 0.00 0.00 0.00 37.83 38.43 2gw3 s LYS 30 CO 0.00 -0.67 1.07 0.20 0.00 0.00 0.00 175.35 175.95 2gw3 s GLY 31 N -2.89 -0.08 -0.46 0.59 0.00 -0.33 -1.21 107.32 102.94 2gw3 s GLY 31 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.84 2gw3 s GLY 31 CO 0.03 1.62 0.19 0.30 0.00 0.00 0.00 173.10 175.24 2gw3 s HIS 32 N -2.53 3.31 0.26 1.90 3.76 0.66 -1.42 115.29 121.24 2gw3 s HIS 32 Ca 0.18 -3.08 -0.01 0.00 -0.15 0.00 0.00 55.06 52.00 2gw3 s HIS 32 Cb -0.01 -2.81 0.57 0.00 1.11 0.00 0.00 32.58 31.44 2gw3 s HIS 32 CO 0.03 -0.81 1.71 -1.35 -0.85 0.00 0.00 174.74 173.46 2gw3 h PRO 33 N 6.88 0.38 0.00 8.40 0.11 -1.78 -1.28 132.00 144.71 2gw3 h PRO 33 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2gw3 h PRO 33 Cb 0.93 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2gw3 h PRO 33 CO 0.63 0.25 0.00 1.19 -0.21 0.00 0.00 178.00 179.86 2gw3 n PHE 34 N -5.05 0.64 0.75 0.65 3.01 -1.26 -2.48 117.46 113.71 2gw3 n PHE 34 Ca 0.18 0.20 0.11 0.00 1.01 0.00 0.00 57.45 58.94 2gw3 n PHE 34 Cb 0.52 -0.82 -0.01 0.00 -0.01 0.00 0.00 39.48 39.16 2gw3 n PHE 34 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2gw3 n GLU 35 N -2.04 0.17 -2.65 -1.08 1.02 -0.61 -4.57 120.64 110.88 2gw3 n GLU 35 Ca 0.05 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 2gw3 n GLU 35 Cb 0.36 -1.54 0.02 0.00 -0.02 0.00 0.00 31.44 30.26 2gw3 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gw3 n GLY 36 N 1.43 0.04 3.11 0.62 0.00 -0.58 -4.46 105.19 105.34 2gw3 n GLY 36 Ca 0.03 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2gw3 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gw3 s LYS 37 N -5.12 1.07 0.10 1.61 1.02 -1.12 -0.42 119.74 116.88 2gw3 s LYS 37 Ca 0.16 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 55.45 2gw3 s LYS 37 Cb -0.07 -1.04 0.03 0.00 -0.52 0.00 0.00 37.83 36.23 2gw3 s LYS 37 CO 0.19 0.28 0.39 1.14 -0.92 0.00 0.00 175.35 176.44 2gw3 s GLN 38 N -0.47 1.02 0.05 1.68 -2.07 -0.70 -0.24 119.66 118.91 2gw3 s GLN 38 Ca 0.05 -0.63 -0.05 0.00 -1.82 0.00 0.00 55.36 52.91 2gw3 s GLN 38 Cb -0.06 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 2gw3 s GLN 38 CO -0.00 -0.38 0.08 -1.54 -1.32 0.00 0.00 175.29 172.13 2gw3 s SER 39 N -2.59 0.22 -0.07 12.60 1.04 -0.35 -1.43 113.70 123.12 2gw3 s SER 39 Ca 0.01 -0.62 -0.18 0.00 0.48 0.00 0.00 55.95 55.64 2gw3 s SER 39 Cb 0.01 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.40 2gw3 s SER 39 CO -0.09 -0.55 0.42 -0.32 0.98 0.00 0.00 173.24 173.68 2gw3 s MET 40 N -2.95 0.69 -0.26 4.02 0.00 0.03 -1.50 119.30 119.34 2gw3 s MET 40 Ca -0.02 0.15 -0.09 0.00 0.00 0.00 0.00 55.69 55.73 2gw3 s MET 40 Cb 0.01 0.32 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 2gw3 s MET 40 CO -0.06 -0.17 0.14 -0.51 0.00 0.00 0.00 175.02 174.42 2gw3 s ASP 41 N -0.79 5.72 -0.09 1.11 1.01 0.42 -0.78 116.67 123.27 2gw3 s ASP 41 Ca -0.09 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.14 2gw3 s ASP 41 Cb -0.04 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 2gw3 s ASP 41 CO 0.04 -0.01 -0.13 -0.76 0.21 0.00 0.00 175.17 174.52 2gw3 s LEU 42 N 1.48 2.77 -0.07 1.23 1.43 0.53 -1.17 118.68 124.88 2gw3 s LEU 42 Ca 0.06 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2gw3 s LEU 42 Cb -0.15 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.49 2gw3 s LEU 42 CO 0.07 0.26 -0.11 -0.69 0.23 0.00 0.00 176.35 176.11 2gw3 s VAL 43 N -0.23 1.08 -0.22 -1.59 1.01 0.04 -1.18 120.40 119.31 2gw3 s VAL 43 Ca 0.01 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2gw3 s VAL 43 Cb -0.13 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2gw3 s VAL 43 CO 0.03 0.35 1.22 -0.69 0.00 0.00 0.00 175.10 176.01 2gw3 s VAL 44 N 0.87 4.33 -0.13 2.92 1.01 -0.04 -1.10 120.40 128.26 2gw3 s VAL 44 Ca -0.11 1.58 0.18 0.00 0.00 0.00 0.00 61.98 63.63 2gw3 s VAL 44 Cb -0.15 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 2gw3 s VAL 44 CO 0.01 -0.26 0.42 0.29 0.00 0.00 0.00 175.10 175.56 2gw3 n LYS 45 N 6.77 0.66 -3.83 2.72 4.76 0.58 -4.87 118.16 124.95 2gw3 n LYS 45 Ca 0.14 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2gw3 n LYS 45 Cb 0.46 -1.63 -0.11 0.00 -1.84 0.00 0.00 35.03 31.91 2gw3 n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2gw3 s GLU 46 N -2.83 0.35 0.00 1.97 2.02 -1.07 -4.90 118.70 114.25 2gw3 s GLU 46 Ca -0.07 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2gw3 s GLU 46 Cb 0.09 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.47 2gw3 s GLU 46 CO 0.84 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2gw3 n GLY 47 N 2.27 0.70 3.75 -1.39 0.00 -1.26 -1.75 105.19 107.52 2gw3 n GLY 47 Ca -0.17 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2gw3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gw3 s ALA 48 N -2.00 3.34 0.13 4.61 0.00 -1.26 -3.45 121.76 123.13 2gw3 s ALA 48 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 2gw3 s ALA 48 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2gw3 s ALA 48 CO 0.00 0.19 0.61 -1.25 0.00 0.00 0.00 175.76 175.31 2gw3 s PRO 49 N -1.20 4.18 0.27 0.00 0.04 -1.26 -5.11 135.00 131.90 2gw3 s PRO 49 Ca 0.41 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 2gw3 s PRO 49 Cb -0.26 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 2gw3 s PRO 49 CO 0.32 0.54 1.44 -0.51 0.04 0.00 0.00 177.00 178.83 2gw3 s LEU 50 N -1.54 4.38 -0.09 -3.56 1.43 -1.22 -4.91 118.68 113.16 2gw3 s LEU 50 Ca 0.35 2.71 0.11 0.00 -1.03 0.00 0.00 54.13 56.27 2gw3 s LEU 50 Cb -0.18 -3.63 0.48 0.00 0.03 0.00 0.00 46.19 42.89 2gw3 s LEU 50 CO 0.20 -0.71 1.31 -0.81 0.23 0.00 0.00 176.35 176.56 2gw3 n PRO 51 N 2.11 2.95 -4.17 1.29 -0.04 -1.26 -4.91 135.00 130.96 2gw3 n PRO 51 Ca 0.06 -1.87 -0.11 0.00 -0.04 0.00 0.00 63.50 61.54 2gw3 n PRO 51 Cb 0.40 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 2gw3 n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2gw3 s PHE 52 N -1.84 0.96 -0.03 0.54 -0.12 -1.26 -4.64 117.98 111.59 2gw3 s PHE 52 Ca 0.33 -1.22 -0.30 0.00 -0.05 0.00 0.00 56.93 55.69 2gw3 s PHE 52 Cb 0.22 -0.53 -0.08 0.00 -0.63 0.00 0.00 43.02 42.00 2gw3 s PHE 52 CO 0.14 -0.48 2.03 0.00 -0.05 0.00 0.00 175.22 176.86 2gw3 n ALA 53 N -0.15 1.57 -0.04 1.99 0.00 0.08 -4.87 120.51 119.10 2gw3 n ALA 53 Ca -0.05 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2gw3 n ALA 53 Cb 0.64 -2.72 0.49 0.00 0.00 0.00 0.00 19.45 17.86 2gw3 n ALA 53 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2gw3 h TYR 54 N 11.54 0.42 -0.72 0.00 5.03 -1.95 -2.38 116.97 128.91 2gw3 h TYR 54 Ca -0.48 0.01 0.19 0.00 2.58 0.00 0.00 58.73 61.03 2gw3 h TYR 54 Cb 1.24 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.35 2gw3 h TYR 54 CO 0.95 0.22 0.50 -0.44 -1.32 0.00 0.00 178.16 178.07 2gw3 h ASP 55 N 0.41 0.12 0.24 -2.11 3.45 -1.95 -0.35 116.42 116.23 2gw3 h ASP 55 Ca 0.22 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 2gw3 h ASP 55 Cb 0.35 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 2gw3 h ASP 55 CO -0.06 0.06 -0.02 0.16 -1.57 0.00 0.00 179.24 177.80 2gw3 h ILE 56 N 0.12 0.20 0.00 0.35 3.07 -1.82 -2.83 117.51 116.60 2gw3 h ILE 56 Ca 0.35 -0.19 -0.06 0.00 1.55 0.00 0.00 64.86 66.51 2gw3 h ILE 56 Cb 1.20 1.15 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 2gw3 h ILE 56 CO -0.05 0.02 -1.07 -0.07 -1.05 0.00 0.00 178.15 175.94 2gw3 h LEU 57 N 0.00 0.00 -1.38 0.16 3.38 -1.27 -3.42 115.31 112.78 2gw3 h LEU 57 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2gw3 h LEU 57 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2gw3 h LEU 57 CO 0.00 0.21 0.47 0.71 0.09 0.00 0.00 178.44 179.92 2gw3 h THR 58 N 0.00 1.04 0.00 0.22 1.35 -1.54 -0.40 112.91 113.58 2gw3 h THR 58 Ca -0.05 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2gw3 h THR 58 Cb 1.21 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2gw3 h THR 58 CO 0.02 0.14 0.00 0.35 -0.25 0.00 0.00 175.52 175.78 2gw3 n THR 59 N -4.47 0.77 0.20 6.82 -2.24 -1.26 -1.29 114.28 112.81 2gw3 n THR 59 Ca 0.10 0.16 0.10 0.00 -2.27 0.00 0.00 64.05 62.14 2gw3 n THR 59 Cb 0.20 -0.94 0.21 0.00 -2.10 0.00 0.00 70.33 67.70 2gw3 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gw3 h ALA 60 N 2.50 0.91 -0.37 6.98 0.00 -1.37 -3.44 119.26 124.47 2gw3 h ALA 60 Ca 0.00 -0.15 -0.71 0.00 0.00 0.00 0.00 54.91 54.05 2gw3 h ALA 60 Cb 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2gw3 h ALA 60 CO 0.00 0.21 3.00 1.19 0.00 0.00 0.00 179.25 183.65 2gw3 n PHE 61 N -3.16 2.62 0.00 0.00 0.99 -0.41 -5.00 117.46 112.49 2gw3 n PHE 61 Ca 0.03 -2.94 0.00 0.00 -0.00 0.00 0.00 57.45 54.54 2gw3 n PHE 61 Cb 0.55 -2.15 0.00 0.00 -1.00 0.00 0.00 39.48 36.88 2gw3 n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2gw3 n ASN 65 N 2.94 0.00 0.00 4.37 2.85 -1.26 -5.11 115.26 119.04 2gw3 n ASN 65 Ca 0.66 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 55.17 2gw3 n ASN 65 Cb 0.26 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.49 2gw3 n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2gw3 n ARG 66 N 0.00 0.18 0.00 1.20 3.00 -1.26 -1.36 116.66 118.43 2gw3 n ARG 66 Ca 0.00 0.10 0.04 0.00 -0.00 0.00 0.00 57.85 57.99 2gw3 n ARG 66 Cb 0.00 -1.50 0.41 0.00 0.00 0.00 0.00 32.46 31.37 2gw3 n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2gw3 h VAL 67 N 0.00 1.11 -1.21 5.15 2.07 -1.96 -3.21 116.25 118.20 2gw3 h VAL 67 Ca 0.00 -0.25 -0.74 0.00 0.82 0.00 0.00 66.70 66.53 2gw3 h VAL 67 Cb 0.03 0.55 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 2gw3 h VAL 67 CO 0.00 0.12 2.13 0.49 0.02 0.00 0.00 177.57 180.33 2gw3 n PHE 68 N -4.45 3.64 -3.68 1.57 3.01 -0.46 -4.72 117.46 112.36 2gw3 n PHE 68 Ca 0.03 -2.95 -0.11 0.00 1.01 0.00 0.00 57.45 55.43 2gw3 n PHE 68 Cb 0.08 -2.19 -0.09 0.00 -0.01 0.00 0.00 39.48 37.27 2gw3 n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gw3 s ALA 69 N 1.56 -1.34 -0.57 4.37 0.00 -1.22 -4.43 121.76 120.13 2gw3 s ALA 69 Ca 0.43 1.72 -0.28 0.00 0.00 0.00 0.00 51.96 53.83 2gw3 s ALA 69 Cb 0.07 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.20 2gw3 s ALA 69 CO -0.01 -0.29 1.27 0.21 0.00 0.00 0.00 175.76 176.95 2gw3 s LYS 70 N 1.03 3.44 -0.19 0.00 2.20 -0.36 -4.49 119.74 121.38 2gw3 s LYS 70 Ca -0.06 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 55.75 2gw3 s LYS 70 Cb -0.06 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 2gw3 s LYS 70 CO -0.09 -1.77 0.23 0.71 -0.36 0.00 0.00 175.35 174.06 2gw3 s TYR 71 N 5.35 3.42 0.69 4.03 1.51 -1.26 -0.72 117.35 130.37 2gw3 s TYR 71 Ca 0.46 0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 56.87 2gw3 s TYR 71 Cb -0.09 -2.28 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2gw3 s TYR 71 CO 0.25 0.21 1.06 -1.25 -1.11 0.00 0.00 175.55 174.71 2gw3 s PRO 72 N 0.58 2.94 0.52 -1.71 0.04 -1.26 -4.94 135.00 131.18 2gw3 s PRO 72 Ca 0.13 0.89 0.19 0.00 0.04 0.00 0.00 61.00 62.25 2gw3 s PRO 72 Cb -0.12 -2.00 1.32 0.00 0.04 0.00 0.00 34.50 33.74 2gw3 s PRO 72 CO 0.02 -1.08 2.10 -0.44 0.04 0.00 0.00 177.00 177.64 2gw3 h ASP 73 N -0.70 0.00 0.09 6.66 3.45 -1.99 -2.68 116.42 121.25 2gw3 h ASP 73 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 2gw3 h ASP 73 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2gw3 h ASP 73 CO 0.58 0.00 -0.01 0.00 -1.57 0.00 0.00 179.24 178.24 2gw3 n HIS 74 N -4.48 0.00 -4.10 4.55 1.44 -1.26 -4.66 115.22 106.71 2gw3 n HIS 74 Ca 0.01 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.39 2gw3 n HIS 74 Cb 0.26 -0.04 -0.16 0.00 0.12 0.00 0.00 29.99 30.17 2gw3 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2gw3 s ILE 75 N -2.10 2.16 0.27 0.61 1.01 -1.01 -5.05 121.20 117.10 2gw3 s ILE 75 Ca 0.43 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 2gw3 s ILE 75 Cb 0.22 -1.95 -0.13 0.00 0.01 0.00 0.00 42.46 40.61 2gw3 s ILE 75 CO 0.38 0.48 1.43 -2.65 0.00 0.00 0.00 174.94 174.58 2gw3 n PRO 76 N 4.62 2.20 -3.31 2.79 -0.02 -1.26 -4.69 135.00 135.33 2gw3 n PRO 76 Ca -0.20 0.78 -0.46 0.00 -2.02 0.00 0.00 63.50 61.59 2gw3 n PRO 76 Cb 0.49 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2gw3 n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2gw3 s ASP 77 N 0.21 6.49 0.37 2.55 3.68 -1.26 -4.47 116.67 124.24 2gw3 s ASP 77 Ca 0.65 -2.25 0.08 0.00 2.13 0.00 0.00 52.55 53.16 2gw3 s ASP 77 Cb -0.60 -2.21 0.79 0.00 -1.45 0.00 0.00 42.92 39.45 2gw3 s ASP 77 CO 0.52 -0.72 1.93 0.22 0.13 0.00 0.00 175.17 177.25 2gw3 h TYR 78 N 8.33 0.75 0.01 -5.34 3.20 -1.91 -2.58 116.97 119.43 2gw3 h TYR 78 Ca -0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 2gw3 h TYR 78 Cb 1.07 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2gw3 h TYR 78 CO 0.89 0.35 -0.11 0.74 -1.64 0.00 0.00 178.16 178.40 2gw3 h PHE 79 N 0.71 0.10 0.00 -3.82 0.04 -1.91 -2.91 116.94 109.15 2gw3 h PHE 79 Ca 0.36 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 2gw3 h PHE 79 Cb 0.45 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2gw3 h PHE 79 CO -0.00 0.91 -0.03 0.87 -0.60 0.00 0.00 178.31 179.45 2gw3 h LYS 80 N -0.74 0.00 0.00 1.51 1.57 -1.88 -1.36 116.57 115.67 2gw3 h LYS 80 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2gw3 h LYS 80 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2gw3 h LYS 80 CO 0.02 0.03 0.00 1.96 -0.57 0.00 0.00 179.45 180.89 2gw3 h GLN 81 N 0.00 0.00 -1.05 3.15 4.20 -1.50 -3.37 115.11 116.55 2gw3 h GLN 81 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gw3 h GLN 81 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2gw3 h GLN 81 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 2gw3 n SER 82 N -2.76 2.46 -4.26 1.46 7.64 -0.51 -4.72 113.62 112.94 2gw3 n SER 82 Ca 0.04 -1.85 -0.14 0.00 1.01 0.00 0.00 58.87 57.93 2gw3 n SER 82 Cb 0.47 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2gw3 n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2gw3 s PHE 83 N -0.11 1.29 -0.77 1.43 0.40 -1.26 0.07 117.98 119.03 2gw3 s PHE 83 Ca 0.00 -0.79 0.20 0.00 -0.60 0.00 0.00 56.93 55.74 2gw3 s PHE 83 Cb 0.00 -0.67 0.82 0.00 0.51 0.00 0.00 43.02 43.68 2gw3 s PHE 83 CO 0.00 0.05 1.61 -0.35 0.70 0.00 0.00 175.22 177.24 2gw3 n PRO 84 N -0.22 0.10 0.21 0.24 -0.04 -1.26 -4.89 135.00 129.13 2gw3 n PRO 84 Ca -0.10 0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2gw3 n PRO 84 Cb 0.61 -1.67 0.45 0.00 -0.04 0.00 0.00 33.50 32.85 2gw3 n PRO 84 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2gw3 h LYS 85 N 0.00 0.00 0.00 0.54 1.57 -1.91 -3.40 116.57 113.37 2gw3 h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gw3 h LYS 85 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2gw3 h LYS 85 CO 0.00 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 2gw3 n GLY 86 N -0.40 -3.16 3.53 3.86 0.00 0.11 -4.83 105.19 104.29 2gw3 n GLY 86 Ca -0.02 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 2gw3 n GLY 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gw3 s PHE 87 N -0.70 0.20 0.19 1.61 -0.71 -1.03 -1.08 117.98 116.46 2gw3 s PHE 87 Ca 0.00 -0.56 0.03 0.00 -1.04 0.00 0.00 56.93 55.36 2gw3 s PHE 87 Cb 0.00 0.22 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 2gw3 s PHE 87 CO 0.00 -0.92 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.38 2gw3 s SER 88 N -2.96 1.65 0.04 1.98 1.04 -0.51 -0.87 113.70 114.08 2gw3 s SER 88 Ca 0.17 -1.14 -0.05 0.00 0.48 0.00 0.00 55.95 55.41 2gw3 s SER 88 Cb -0.00 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 2gw3 s SER 88 CO 0.03 -0.47 0.09 -1.66 0.98 0.00 0.00 173.24 172.22 2gw3 s TRP 89 N -3.45 0.23 0.02 5.02 1.48 -0.27 -0.87 118.94 121.09 2gw3 s TRP 89 Ca 0.23 -0.56 0.05 0.00 -1.06 0.00 0.00 56.10 54.75 2gw3 s TRP 89 Cb 0.05 -0.16 -0.02 0.00 -1.16 0.00 0.00 33.47 32.18 2gw3 s TRP 89 CO 0.05 -0.38 -0.14 -1.21 -4.06 0.00 0.00 176.95 171.21 2gw3 s GLU 90 N -2.81 1.01 -0.06 3.25 2.02 -0.43 -1.59 118.70 120.08 2gw3 s GLU 90 Ca -0.03 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 2gw3 s GLU 90 Cb 0.00 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 33.24 2gw3 s GLU 90 CO -0.06 0.26 0.16 0.50 0.02 0.00 0.00 175.26 176.14 2gw3 s ARG 91 N -0.88 0.18 -0.09 1.61 3.52 0.70 -0.44 118.95 123.55 2gw3 s ARG 91 Ca 0.03 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2gw3 s ARG 91 Cb -0.07 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 2gw3 s ARG 91 CO 0.01 -0.03 -0.07 -1.54 -0.81 0.00 0.00 175.30 172.86 2gw3 s SER 92 N 0.17 4.64 -0.25 -2.12 1.04 -0.35 -1.19 113.70 115.63 2gw3 s SER 92 Ca -0.01 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.39 2gw3 s SER 92 Cb -0.02 -1.31 0.06 0.00 0.10 0.00 0.00 66.02 64.85 2gw3 s SER 92 CO -0.00 0.32 -0.11 -0.76 0.98 0.00 0.00 173.24 173.67 2gw3 s LEU 93 N -0.52 3.29 -0.38 2.42 1.02 0.18 -2.16 118.68 122.52 2gw3 s LEU 93 Ca 0.08 -1.34 -0.07 0.00 0.02 0.00 0.00 54.13 52.82 2gw3 s LEU 93 Cb -0.12 -1.50 0.07 0.00 0.02 0.00 0.00 46.19 44.66 2gw3 s LEU 93 CO 0.02 -0.19 0.19 -0.04 0.02 0.00 0.00 176.35 176.35 2gw3 s MET 94 N 1.14 2.54 0.33 1.70 -1.94 -0.27 -1.07 119.30 121.73 2gw3 s MET 94 Ca -0.08 -1.39 -0.16 0.00 -1.71 0.00 0.00 55.69 52.35 2gw3 s MET 94 Cb -0.20 -3.62 -0.09 0.00 2.01 0.00 0.00 34.83 32.93 2gw3 s MET 94 CO -0.05 -0.85 0.77 -0.06 -0.01 0.00 0.00 175.02 174.81 2gw3 s PHE 95 N 1.38 3.39 -0.19 -0.03 0.08 0.07 -0.82 117.98 121.86 2gw3 s PHE 95 Ca 0.02 1.29 0.26 0.00 0.12 0.00 0.00 56.93 58.62 2gw3 s PHE 95 Cb -0.22 -2.59 1.25 0.00 -0.57 0.00 0.00 43.02 40.89 2gw3 s PHE 95 CO 0.02 0.08 1.80 1.05 -0.10 0.00 0.00 175.22 178.07 2gw3 h GLU 96 N 2.30 0.00 -0.64 0.44 4.11 -1.45 -2.18 114.58 117.16 2gw3 h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2gw3 h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2gw3 h GLU 96 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 2gw3 n ASP 97 N -2.44 4.72 0.00 3.06 5.75 -1.26 -4.93 116.55 121.45 2gw3 n ASP 97 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 2gw3 n ASP 97 Cb 0.15 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 2gw3 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gw3 n GLY 98 N 1.11 1.90 3.77 6.12 0.00 -0.82 -4.69 105.19 112.57 2gw3 n GLY 98 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 2gw3 n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gw3 s GLY 99 N -2.42 2.80 -0.04 -0.02 0.00 -1.22 -4.70 107.32 101.72 2gw3 s GLY 99 Ca 0.00 1.44 0.01 0.00 0.00 0.00 0.00 44.72 46.17 2gw3 s GLY 99 CO 0.00 2.18 -0.03 0.14 0.00 0.00 0.00 173.10 175.38 2gw3 s VAL 100 N -0.87 0.47 0.14 1.40 1.01 -0.37 -0.75 120.40 121.43 2gw3 s VAL 100 Ca 0.53 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.51 2gw3 s VAL 100 Cb -0.44 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2gw3 s VAL 100 CO 0.56 0.22 -0.17 0.00 0.00 0.00 0.00 175.10 175.70 2gw3 s ILE 102 N -1.92 1.22 0.02 0.00 1.01 -0.02 -0.65 121.20 120.86 2gw3 s ILE 102 Ca 0.11 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.28 2gw3 s ILE 102 Cb -0.06 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 2gw3 s ILE 102 CO 0.05 0.37 -0.16 0.00 0.00 0.00 0.00 174.94 175.20 2gw3 s ALA 103 N 0.57 1.33 0.04 9.38 0.00 -0.33 -1.12 121.76 131.62 2gw3 s ALA 103 Ca -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2gw3 s ALA 103 Cb -0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2gw3 s ALA 103 CO 0.04 0.29 -0.04 0.95 0.00 0.00 0.00 175.76 176.99 2gw3 s THR 104 N -0.68 0.28 -0.13 0.00 -4.23 -0.36 -0.22 115.64 110.31 2gw3 s THR 104 Ca 0.04 -1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 2gw3 s THR 104 Cb -0.07 -0.74 0.05 0.00 1.34 0.00 0.00 72.50 73.08 2gw3 s THR 104 CO 0.01 -0.62 0.30 0.21 -0.54 0.00 0.00 174.62 173.98 2gw3 s ASN 105 N -1.95 -0.35 -0.27 3.99 2.47 -0.62 -1.41 114.94 116.80 2gw3 s ASN 105 Ca -0.07 0.65 -0.06 0.00 0.42 0.00 0.00 52.86 53.80 2gw3 s ASN 105 Cb -0.05 0.53 -0.00 0.00 -1.45 0.00 0.00 41.25 40.29 2gw3 s ASN 105 CO -0.03 -0.17 0.05 -0.62 -3.72 0.00 0.00 177.10 172.60 2gw3 s ASP 106 N 1.27 4.92 -0.19 -4.21 2.15 -0.63 -1.12 116.67 118.86 2gw3 s ASP 106 Ca -0.09 -0.55 -0.06 0.00 0.43 0.00 0.00 52.55 52.27 2gw3 s ASP 106 Cb -0.09 -1.85 -0.03 0.00 -0.30 0.00 0.00 42.92 40.64 2gw3 s ASP 106 CO -0.10 -0.12 0.03 -0.63 -0.17 0.00 0.00 175.17 174.18 2gw3 s ILE 107 N 1.51 4.40 0.36 4.11 1.01 -0.05 -1.84 121.20 130.70 2gw3 s ILE 107 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2gw3 s ILE 107 Cb -0.16 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 2gw3 s ILE 107 CO 0.01 0.44 0.06 0.42 0.00 0.00 0.00 174.94 175.88 2gw3 s THR 108 N 0.66 1.15 -0.03 2.92 -4.23 -0.37 -2.45 115.64 113.29 2gw3 s THR 108 Ca 0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 2gw3 s THR 108 Cb -0.14 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2gw3 s THR 108 CO 0.02 0.00 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.84 2gw3 s LEU 109 N -3.55 1.54 -0.05 4.79 2.96 -1.26 -0.42 118.68 122.68 2gw3 s LEU 109 Ca 0.32 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.12 2gw3 s LEU 109 Cb 0.07 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.46 2gw3 s LEU 109 CO 0.15 -0.02 0.04 -0.75 -1.32 0.00 0.00 176.35 174.45 2gw3 s LYS 110 N 0.56 0.17 7.79 1.98 2.20 -0.60 -5.00 119.74 126.84 2gw3 s LYS 110 Ca -0.07 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2gw3 s LYS 110 Cb -0.10 -0.68 0.00 0.00 -1.51 0.00 0.00 37.83 35.54 2gw3 s LYS 110 CO -0.00 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2gw3 n GLY 111 N 5.25 3.42 1.35 5.54 0.00 -1.26 -1.54 105.19 117.95 2gw3 n GLY 111 Ca -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2gw3 n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gw3 n ASP 112 N 6.44 3.56 -4.18 1.61 8.00 -1.26 -4.96 116.55 125.76 2gw3 n ASP 112 Ca 0.00 -3.40 -0.32 0.00 0.71 0.00 0.00 54.79 51.78 2gw3 n ASP 112 Cb 0.00 -0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 40.28 2gw3 n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2gw3 s THR 113 N -3.07 1.98 -0.06 -3.53 2.01 -0.59 -0.62 115.64 111.77 2gw3 s THR 113 Ca 0.47 -0.95 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 2gw3 s THR 113 Cb 0.40 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2gw3 s THR 113 CO 0.07 0.54 0.64 -0.36 -0.69 0.00 0.00 174.62 174.82 2gw3 s PHE 114 N 0.61 3.59 -0.10 4.92 0.40 0.00 -1.55 117.98 125.85 2gw3 s PHE 114 Ca -0.13 1.19 -0.03 0.00 -0.60 0.00 0.00 56.93 57.36 2gw3 s PHE 114 Cb -0.17 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 2gw3 s PHE 114 CO 0.03 0.16 0.02 -0.06 0.70 0.00 0.00 175.22 176.07 2gw3 s PHE 115 N 0.54 3.21 -0.13 0.36 0.08 0.44 -0.78 117.98 121.70 2gw3 s PHE 115 Ca 0.34 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.60 2gw3 s PHE 115 Cb -0.17 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2gw3 s PHE 115 CO 0.17 0.46 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.84 2gw3 s ASN 116 N -0.77 2.40 -0.42 1.36 0.01 -0.10 -1.24 114.94 116.17 2gw3 s ASN 116 Ca 0.12 -0.38 -0.09 0.00 -0.71 0.00 0.00 52.86 51.80 2gw3 s ASN 116 Cb -0.12 -0.99 0.08 0.00 0.41 0.00 0.00 41.25 40.63 2gw3 s ASN 116 CO 0.02 -0.09 0.26 -0.75 -1.51 0.00 0.00 177.10 175.04 2gw3 s LYS 117 N 1.58 2.60 -0.05 -0.60 2.47 -0.77 -1.56 119.74 123.42 2gw3 s LYS 117 Ca 0.04 -1.47 0.02 0.00 -1.56 0.00 0.00 55.97 53.01 2gw3 s LYS 117 Cb -0.13 -3.78 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 2gw3 s LYS 117 CO -0.09 -0.96 -0.10 0.08 0.16 0.00 0.00 175.35 174.45 2gw3 s VAL 118 N 1.42 3.47 -0.02 4.02 1.01 -0.17 -1.61 120.40 128.52 2gw3 s VAL 118 Ca 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2gw3 s VAL 118 Cb -0.23 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 2gw3 s VAL 118 CO 0.02 0.56 -0.17 -0.60 0.00 0.00 0.00 175.10 174.91 2gw3 s ARG 119 N -0.90 1.45 -0.04 2.72 3.52 -0.50 -1.33 118.95 123.87 2gw3 s ARG 119 Ca 0.13 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2gw3 s ARG 119 Cb -0.11 -1.36 0.03 0.00 -1.56 0.00 0.00 34.95 31.95 2gw3 s ARG 119 CO 0.02 0.32 0.05 0.12 -0.81 0.00 0.00 175.30 175.00 2gw3 s PHE 120 N -0.26 0.09 -0.04 5.12 2.19 -0.66 -1.22 117.98 123.20 2gw3 s PHE 120 Ca 0.03 0.20 0.03 0.00 0.33 0.00 0.00 56.93 57.52 2gw3 s PHE 120 Cb -0.08 -0.44 0.00 0.00 -1.31 0.00 0.00 43.02 41.20 2gw3 s PHE 120 CO 0.00 -0.17 -0.13 -0.51 1.83 0.00 0.00 175.22 176.24 2gw3 s ASP 121 N 1.86 1.75 -0.01 6.13 1.11 -0.28 -1.14 116.67 126.08 2gw3 s ASP 121 Ca 0.01 -0.28 0.02 0.00 0.18 0.00 0.00 52.55 52.47 2gw3 s ASP 121 Cb -0.12 -0.56 0.00 0.00 1.07 0.00 0.00 42.92 43.31 2gw3 s ASP 121 CO -0.03 0.10 -0.06 -0.83 1.18 0.00 0.00 175.17 175.53 2gw3 s GLY 122 N 0.24 0.35 0.16 0.21 0.00 -0.18 -0.84 107.32 107.26 2gw3 s GLY 122 Ca -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 2gw3 s GLY 122 CO 0.02 -0.05 0.10 -1.34 0.00 0.00 0.00 173.10 171.83 2gw3 s VAL 123 N 0.14 0.06 -1.78 1.40 -7.23 -0.13 -0.53 120.40 112.32 2gw3 s VAL 123 Ca -0.01 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2gw3 s VAL 123 Cb -0.06 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2gw3 s VAL 123 CO -0.00 -0.27 0.00 0.59 -0.31 0.00 0.00 175.10 175.11 2gw3 n ASN 124 N -0.17 -5.26 -4.71 4.85 5.03 -1.26 -1.23 115.26 112.51 2gw3 n ASN 124 Ca -0.02 0.25 -0.42 0.00 0.87 0.00 0.00 54.58 55.26 2gw3 n ASN 124 Cb 0.65 -4.35 -0.03 0.00 -1.02 0.00 0.00 39.78 35.02 2gw3 n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2gw3 s PHE 125 N -2.78 3.67 0.30 3.10 0.08 -1.26 -3.39 117.98 117.68 2gw3 s PHE 125 Ca 0.00 1.70 -0.30 0.00 0.12 0.00 0.00 56.93 58.46 2gw3 s PHE 125 Cb 0.00 -3.12 -0.11 0.00 -0.57 0.00 0.00 43.02 39.22 2gw3 s PHE 125 CO 0.00 -0.00 1.57 -2.14 -0.10 0.00 0.00 175.22 174.55 2gw3 s PRO 126 N 0.96 4.13 0.54 0.24 0.02 -1.26 -4.88 135.00 134.76 2gw3 s PRO 126 Ca 0.52 2.55 0.22 0.00 0.02 0.00 0.00 61.00 64.31 2gw3 s PRO 126 Cb -0.21 -3.03 1.41 0.00 0.02 0.00 0.00 34.50 32.69 2gw3 s PRO 126 CO 0.28 -0.60 2.08 -1.00 -0.33 0.00 0.00 177.00 177.43 2gw3 h PRO 127 N 4.71 0.00 -0.59 5.54 0.13 -1.99 -0.76 132.00 139.05 2gw3 h PRO 127 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2gw3 h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2gw3 h PRO 127 CO 0.78 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 2gw3 n ASN 128 N -4.33 3.92 -4.73 1.44 5.03 -1.26 -4.43 115.26 110.90 2gw3 n ASN 128 Ca 0.03 -2.18 -0.29 0.00 0.87 0.00 0.00 54.58 53.01 2gw3 n ASN 128 Cb 0.35 -0.45 0.13 0.00 -1.02 0.00 0.00 39.78 38.79 2gw3 n ASN 128 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2gw3 s GLY 129 N -1.03 1.59 0.52 7.41 0.00 -0.29 -4.80 107.32 110.72 2gw3 s GLY 129 Ca 0.43 -0.61 0.23 0.00 0.00 0.00 0.00 44.72 44.76 2gw3 s GLY 129 CO 0.25 -0.04 2.11 -0.56 0.00 0.00 0.00 173.10 174.87 2gw3 h PRO 130 N -1.45 0.00 0.08 2.90 0.13 -1.94 -0.93 132.00 130.79 2gw3 h PRO 130 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2gw3 h PRO 130 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2gw3 h PRO 130 CO 0.60 0.09 -0.04 0.28 -0.23 0.00 0.00 178.00 178.70 2gw3 h VAL 131 N 0.00 1.02 0.00 1.56 2.07 -1.93 0.21 116.25 119.18 2gw3 h VAL 131 Ca -0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2gw3 h VAL 131 Cb 0.19 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2gw3 h VAL 131 CO 0.01 0.30 0.00 0.24 0.02 0.00 0.00 177.57 178.14 2gw3 h MET 132 N -0.89 0.00 -0.48 1.57 2.86 -1.76 0.38 114.93 116.61 2gw3 h MET 132 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2gw3 h MET 132 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2gw3 h MET 132 CO 0.02 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.03 2gw3 n GLN 133 N -3.03 2.46 -3.72 1.72 1.13 -0.36 -4.60 117.38 110.98 2gw3 n GLN 133 Ca 0.01 -2.23 -0.25 0.00 -1.94 0.00 0.00 57.00 52.59 2gw3 n GLN 133 Cb 0.31 -1.51 0.03 0.00 0.11 0.00 0.00 30.24 29.18 2gw3 n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2gw3 n LYS 134 N 1.38 -3.31 -0.37 -1.09 5.02 -0.91 -4.91 118.16 113.97 2gw3 n LYS 134 Ca 0.20 0.54 0.08 0.00 -2.02 0.00 0.00 58.31 57.12 2gw3 n LYS 134 Cb 0.57 -4.78 0.25 0.00 -0.02 0.00 0.00 35.03 31.05 2gw3 n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gw3 n LYS 135 N -4.20 3.09 -3.26 1.97 4.76 0.01 -4.97 118.16 115.57 2gw3 n LYS 135 Ca -0.23 -2.51 -0.32 0.00 -2.87 0.00 0.00 58.31 52.38 2gw3 n LYS 135 Cb 0.65 -1.58 -0.06 0.00 -1.84 0.00 0.00 35.03 32.21 2gw3 n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2gw3 s THR 136 N -1.51 4.79 -0.12 -0.18 -4.23 -1.26 -1.36 115.64 111.77 2gw3 s THR 136 Ca 0.38 0.73 0.02 0.00 -1.18 0.00 0.00 61.69 61.64 2gw3 s THR 136 Cb 0.23 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.37 2gw3 s THR 136 CO 0.20 -0.14 -0.10 0.18 -0.54 0.00 0.00 174.62 174.23 2gw3 n LEU 137 N -0.27 2.66 -3.61 4.79 4.77 0.98 -4.85 117.00 121.48 2gw3 n LEU 137 Ca 0.02 -0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2gw3 n LEU 137 Cb 0.53 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2gw3 n LEU 137 CO 0.43 0.66 1.11 -1.59 -1.33 0.00 0.00 177.39 176.67 2gw3 s LYS 138 N -2.25 0.21 0.15 3.23 -2.85 -1.20 -4.99 119.74 112.03 2gw3 s LYS 138 Ca -0.16 -0.10 -0.19 0.00 -1.00 0.00 0.00 55.97 54.52 2gw3 s LYS 138 Cb 0.04 0.08 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 2gw3 s LYS 138 CO 0.30 -0.09 0.64 -1.58 0.10 0.00 0.00 175.35 174.72 2gw3 s TRP 139 N -2.25 3.73 0.76 1.78 0.52 -1.26 -0.43 118.94 121.79 2gw3 s TRP 139 Ca 0.13 1.32 -0.12 0.00 0.02 0.00 0.00 56.10 57.45 2gw3 s TRP 139 Cb 0.03 -2.55 0.05 0.00 -1.15 0.00 0.00 33.47 29.85 2gw3 s TRP 139 CO -0.04 0.46 1.11 -1.21 0.02 0.00 0.00 176.95 177.29 2gw3 s GLU 140 N -1.57 2.37 1.00 4.98 0.41 -0.24 -4.80 118.70 120.85 2gw3 s GLU 140 Ca 0.36 0.47 -0.11 0.00 -0.41 0.00 0.00 54.97 55.28 2gw3 s GLU 140 Cb -0.18 -1.96 0.19 0.00 -1.78 0.00 0.00 34.13 30.40 2gw3 s GLU 140 CO 0.21 -1.39 1.09 0.00 -0.49 0.00 0.00 175.26 174.68 2gw3 s ALA 141 N -3.31 0.76 0.25 5.21 0.00 -1.26 -4.78 121.76 118.63 2gw3 s ALA 141 Ca 0.60 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 2gw3 s ALA 141 Cb -0.12 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2gw3 s ALA 141 CO 0.52 -3.06 0.44 -1.54 0.00 0.00 0.00 175.76 172.12 2gw3 s SER 142 N -2.80 0.00 -0.18 0.00 1.04 -0.33 -4.90 113.70 106.54 2gw3 s SER 142 Ca 0.66 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 2gw3 s SER 142 Cb -0.22 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2gw3 s SER 142 CO 0.60 -1.12 -0.01 -0.89 0.98 0.00 0.00 173.24 172.80 2gw3 s THR 143 N -3.96 0.87 0.01 2.02 2.01 -1.26 -0.47 115.64 114.86 2gw3 s THR 143 Ca 0.25 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.39 2gw3 s THR 143 Cb 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 2gw3 s THR 143 CO 0.10 -0.02 0.77 -0.70 -0.69 0.00 0.00 174.62 174.08 2gw3 s GLU 144 N 1.72 4.48 -0.36 4.92 2.12 0.41 -4.57 118.70 127.42 2gw3 s GLU 144 Ca -0.00 1.04 -0.14 0.00 0.36 0.00 0.00 54.97 56.23 2gw3 s GLU 144 Cb -0.16 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 2gw3 s GLU 144 CO -0.07 0.19 0.29 0.15 -0.54 0.00 0.00 175.26 175.27 2gw3 s LYS 145 N 0.29 3.36 -0.21 4.30 3.01 -0.27 -1.06 119.74 129.15 2gw3 s LYS 145 Ca 0.39 -0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 54.54 2gw3 s LYS 145 Cb -0.20 -3.86 -0.05 0.00 -1.01 0.00 0.00 37.83 32.72 2gw3 s LYS 145 CO 0.22 -0.55 0.18 -1.64 0.51 0.00 0.00 175.35 174.06 2gw3 s MET 146 N 1.78 4.15 0.25 1.68 -1.94 0.16 -0.93 119.30 124.45 2gw3 s MET 146 Ca 0.07 -0.18 -0.22 0.00 -1.71 0.00 0.00 55.69 53.66 2gw3 s MET 146 Cb -0.18 -3.48 0.03 0.00 2.01 0.00 0.00 34.83 33.21 2gw3 s MET 146 CO 0.11 0.17 0.74 1.52 -0.01 0.00 0.00 175.02 177.54 2gw3 s TYR 147 N 0.74 -0.22 -0.09 -0.03 1.13 0.06 -1.37 117.35 117.57 2gw3 s TYR 147 Ca 0.09 -0.20 -0.14 0.00 -1.41 0.00 0.00 57.07 55.42 2gw3 s TYR 147 Cb -0.13 0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 2gw3 s TYR 147 CO 0.02 -1.15 0.33 -0.51 -2.51 0.00 0.00 175.55 171.73 2gw3 s LEU 148 N -2.90 4.35 -0.21 -3.49 1.43 -1.26 0.13 118.68 116.73 2gw3 s LEU 148 Ca 0.10 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2gw3 s LEU 148 Cb -0.05 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2gw3 s LEU 148 CO 0.05 0.21 -0.10 -0.13 0.23 0.00 0.00 176.35 176.60 2gw3 s ARG 149 N -0.29 2.07 -1.53 1.70 0.52 -0.11 -4.69 118.95 116.63 2gw3 s ARG 149 Ca 0.20 -0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 54.38 2gw3 s ARG 149 Cb -0.14 -2.50 0.08 0.00 0.52 0.00 0.00 34.95 32.91 2gw3 s ARG 149 CO 0.08 -0.45 0.81 -3.47 0.02 0.00 0.00 175.30 172.29 2gw3 n ASP 150 N 4.65 -3.23 0.00 0.23 2.03 -1.26 -1.28 116.55 117.69 2gw3 n ASP 150 Ca -0.15 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.28 2gw3 n ASP 150 Cb 0.46 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.38 2gw3 n ASP 150 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gw3 n GLY 151 N -1.65 0.93 3.47 0.27 0.00 -1.26 -5.02 105.19 101.93 2gw3 n GLY 151 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2gw3 n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gw3 s VAL 152 N -3.77 3.82 0.14 1.61 1.01 -0.40 -5.04 120.40 117.77 2gw3 s VAL 152 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 2gw3 s VAL 152 Cb 0.00 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 2gw3 s VAL 152 CO 0.00 0.47 1.67 -0.22 0.00 0.00 0.00 175.10 177.02 2gw3 s LEU 153 N 0.59 4.37 -0.00 3.92 2.96 -1.25 -0.94 118.68 128.33 2gw3 s LEU 153 Ca -0.03 2.65 0.04 0.00 -0.22 0.00 0.00 54.13 56.57 2gw3 s LEU 153 Cb -0.14 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 2gw3 s LEU 153 CO 0.02 -0.90 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.15 2gw3 s THR 154 N 1.89 0.93 -0.17 3.68 2.01 0.12 -0.68 115.64 123.41 2gw3 s THR 154 Ca 0.74 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2gw3 s THR 154 Cb -0.44 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.31 2gw3 s THR 154 CO 0.33 0.22 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.49 2gw3 s GLY 155 N -0.38 1.28 -0.11 4.40 0.00 0.26 -0.76 107.32 112.02 2gw3 s GLY 155 Ca 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 2gw3 s GLY 155 CO -0.00 0.43 0.00 0.99 0.00 0.00 0.00 173.10 174.52 2gw3 s ASP 156 N 1.37 5.21 0.00 1.64 1.01 -0.11 -0.95 116.67 124.85 2gw3 s ASP 156 Ca 0.04 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.39 2gw3 s ASP 156 Cb -0.13 -1.59 -0.00 0.00 1.01 0.00 0.00 42.92 42.21 2gw3 s ASP 156 CO -0.11 0.32 -0.01 -0.63 0.21 0.00 0.00 175.17 174.95 2gw3 s ILE 157 N -0.52 0.06 -0.71 0.77 1.01 -0.40 -1.12 121.20 120.30 2gw3 s ILE 157 Ca 0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 2gw3 s ILE 157 Cb -0.12 -0.07 0.10 0.00 0.01 0.00 0.00 42.46 42.39 2gw3 s ILE 157 CO 0.02 -0.00 0.91 -0.89 0.00 0.00 0.00 174.94 174.98 2gw3 s THR 158 N -0.07 4.64 0.19 2.92 2.01 -1.26 -1.49 115.64 122.59 2gw3 s THR 158 Ca -0.00 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.08 2gw3 s THR 158 Cb -0.01 -4.63 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2gw3 s THR 158 CO -0.00 -1.34 0.31 -0.04 -0.69 0.00 0.00 174.62 172.86 2gw3 s MET 159 N 3.10 3.41 -0.15 4.92 -1.94 -0.33 -4.78 119.30 123.53 2gw3 s MET 159 Ca 0.21 -0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 53.40 2gw3 s MET 159 Cb -0.16 -2.91 0.05 0.00 2.01 0.00 0.00 34.83 33.82 2gw3 s MET 159 CO 0.03 0.48 0.36 0.00 -0.01 0.00 0.00 175.02 175.88 2gw3 s ALA 160 N -1.86 -0.90 -0.18 3.03 0.00 -1.26 -1.55 121.76 119.04 2gw3 s ALA 160 Ca 0.34 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 2gw3 s ALA 160 Cb -0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 2gw3 s ALA 160 CO 0.28 -0.22 0.23 -0.51 0.00 0.00 0.00 175.76 175.55 2gw3 s LEU 161 N 0.99 4.23 0.08 0.00 1.43 0.30 -1.08 118.68 124.63 2gw3 s LEU 161 Ca -0.06 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 2gw3 s LEU 161 Cb -0.07 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2gw3 s LEU 161 CO -0.08 0.12 0.94 -0.22 0.23 0.00 0.00 176.35 177.34 2gw3 s LEU 162 N 0.45 4.46 0.34 1.79 2.96 0.43 -0.91 118.68 128.20 2gw3 s LEU 162 Ca 0.13 1.71 0.08 0.00 -0.22 0.00 0.00 54.13 55.84 2gw3 s LEU 162 Cb -0.12 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2gw3 s LEU 162 CO 0.02 -0.10 0.13 -0.76 -1.32 0.00 0.00 176.35 174.33 2gw3 s LEU 163 N 0.21 3.24 0.59 -0.68 1.43 0.60 -0.01 118.68 124.06 2gw3 s LEU 163 Ca 0.47 -0.79 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 2gw3 s LEU 163 Cb -0.22 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2gw3 s LEU 163 CO 0.28 -0.30 1.28 -0.54 0.23 0.00 0.00 176.35 177.31 2gw3 s LYS 164 N -3.84 2.91 0.00 1.70 1.02 -0.46 -2.67 119.74 118.39 2gw3 s LYS 164 Ca 0.38 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2gw3 s LYS 164 Cb -0.02 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2gw3 s LYS 164 CO 0.22 -1.31 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 2gw3 n GLY 165 N 0.72 0.76 3.61 -3.33 0.00 -1.26 -4.38 105.19 101.32 2gw3 n GLY 165 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2gw3 n GLY 165 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gw3 n ASP 166 N 0.00 -1.93 -4.26 1.61 2.03 -1.09 -5.02 116.55 107.89 2gw3 n ASP 166 Ca 0.00 -0.73 -0.14 0.00 0.52 0.00 0.00 54.79 54.43 2gw3 n ASP 166 Cb 0.00 -4.47 -0.10 0.00 -0.72 0.00 0.00 41.12 35.83 2gw3 n ASP 166 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2gw3 s VAL 167 N -3.52 0.92 0.16 5.18 -7.23 -1.23 -4.99 120.40 109.68 2gw3 s VAL 167 Ca 0.07 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2gw3 s VAL 167 Cb -0.03 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 2gw3 s VAL 167 CO 0.78 -0.57 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.91 2gw3 s HIS 168 N -3.49 2.69 -0.19 2.82 3.76 -1.26 -0.29 115.29 119.33 2gw3 s HIS 168 Ca 0.21 -0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2gw3 s HIS 168 Cb 0.05 -1.34 0.05 0.00 1.11 0.00 0.00 32.58 32.44 2gw3 s HIS 168 CO 0.03 0.48 -0.03 -0.47 -0.85 0.00 0.00 174.74 173.90 2gw3 s TYR 169 N -1.55 1.71 0.30 1.40 6.04 -0.09 -4.95 117.35 120.21 2gw3 s TYR 169 Ca 0.24 -1.18 -0.21 0.00 0.04 0.00 0.00 57.07 55.95 2gw3 s TYR 169 Cb -0.10 -1.31 -0.09 0.00 -1.04 0.00 0.00 41.96 39.42 2gw3 s TYR 169 CO 0.15 -0.65 0.83 1.03 -1.54 0.00 0.00 175.55 175.37 2gw3 s ARG 170 N 1.63 4.32 -0.05 4.97 1.81 -1.26 -0.54 118.95 129.83 2gw3 s ARG 170 Ca -0.01 1.03 -0.03 0.00 -1.72 0.00 0.00 55.73 55.00 2gw3 s ARG 170 Cb -0.16 -2.68 0.03 0.00 -0.45 0.00 0.00 34.95 31.68 2gw3 s ARG 170 CO -0.07 0.26 0.11 0.00 -0.68 0.00 0.00 175.30 174.91 2gw3 s ASP 172 N 0.71 5.90 -0.07 0.00 1.01 0.00 -1.19 116.67 123.02 2gw3 s ASP 172 Ca -0.05 0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 2gw3 s ASP 172 Cb -0.07 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 2gw3 s ASP 172 CO -0.03 0.16 -0.01 -0.36 0.21 0.00 0.00 175.17 175.14 2gw3 s PHE 173 N 0.44 3.11 -0.09 4.23 2.99 -0.55 -1.11 117.98 127.00 2gw3 s PHE 173 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 56.93 57.12 2gw3 s PHE 173 Cb -0.12 -1.76 0.03 0.00 0.00 0.00 0.00 43.02 41.17 2gw3 s PHE 173 CO -0.00 0.44 -0.00 0.50 -0.00 0.00 0.00 175.22 176.16 2gw3 s ARG 174 N -0.93 0.68 -0.08 0.44 3.52 -0.92 -1.27 118.95 120.39 2gw3 s ARG 174 Ca 0.14 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 2gw3 s ARG 174 Cb -0.11 -1.13 -0.02 0.00 -1.56 0.00 0.00 34.95 32.13 2gw3 s ARG 174 CO 0.03 -0.33 -0.17 0.99 -0.81 0.00 0.00 175.30 175.00 2gw3 s THR 175 N 1.94 2.73 -0.09 4.11 2.01 -0.13 -1.21 115.64 125.00 2gw3 s THR 175 Ca 0.04 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2gw3 s THR 175 Cb -0.13 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2gw3 s THR 175 CO -0.06 0.56 -0.10 0.42 -0.69 0.00 0.00 174.62 174.75 2gw3 s THR 176 N -0.16 3.39 -0.10 -0.82 -4.23 0.42 -0.57 115.64 113.55 2gw3 s THR 176 Ca -0.02 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2gw3 s THR 176 Cb -0.14 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 2gw3 s THR 176 CO 0.03 0.56 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.22 2gw3 s TYR 177 N -0.34 2.74 -0.17 3.99 1.51 0.14 -1.31 117.35 123.91 2gw3 s TYR 177 Ca 0.04 -0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 55.50 2gw3 s TYR 177 Cb -0.13 -1.77 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 2gw3 s TYR 177 CO 0.02 -0.14 0.03 0.15 -1.11 0.00 0.00 175.55 174.51 2gw3 s LYS 178 N 0.08 0.59 0.45 -0.62 1.02 -0.05 -3.86 119.74 117.35 2gw3 s LYS 178 Ca -0.06 -0.28 -0.21 0.00 0.02 0.00 0.00 55.97 55.44 2gw3 s LYS 178 Cb -0.15 -1.86 -0.10 0.00 -0.52 0.00 0.00 37.83 35.21 2gw3 s LYS 178 CO 0.05 -0.58 0.98 0.45 -0.92 0.00 0.00 175.35 175.33 2gw3 s SER 179 N 1.91 6.73 0.00 2.83 0.15 -1.26 -1.43 113.70 122.63 2gw3 s SER 179 Ca 0.01 1.77 0.18 0.00 0.70 0.00 0.00 55.95 58.61 2gw3 s SER 179 Cb -0.16 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2gw3 s SER 179 CO -0.08 -0.51 0.95 0.54 1.20 0.00 0.00 173.24 175.35 2gw3 n ARG 180 N -0.76 1.58 -2.98 5.44 1.74 -0.24 -4.95 116.66 116.48 2gw3 n ARG 180 Ca 0.08 -1.05 -0.40 0.00 -0.77 0.00 0.00 57.85 55.71 2gw3 n ARG 180 Cb 0.53 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 2gw3 n ARG 180 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2gw3 s GLN 181 N -1.90 4.47 0.45 5.56 2.00 -1.25 -4.90 119.66 124.09 2gw3 s GLN 181 Ca 0.16 1.00 -0.22 0.00 -2.00 0.00 0.00 55.36 54.31 2gw3 s GLN 181 Cb 0.14 -3.43 -0.08 0.00 0.80 0.00 0.00 33.01 30.44 2gw3 s GLN 181 CO 0.39 0.10 1.06 -1.21 -0.50 0.00 0.00 175.29 175.13 2gw3 s GLU 182 N 0.61 3.92 -1.04 1.67 8.01 -1.26 -3.97 118.70 126.64 2gw3 s GLU 182 Ca 0.40 1.47 0.00 0.00 0.01 0.00 0.00 54.97 56.85 2gw3 s GLU 182 Cb -0.19 -2.30 0.00 0.00 -4.31 0.00 0.00 34.13 27.33 2gw3 s GLU 182 CO 0.21 -0.34 0.00 0.41 0.01 0.00 0.00 175.26 175.54 2gw3 n GLY 183 N 0.07 1.11 3.75 -1.39 0.00 -1.26 -4.72 105.19 102.74 2gw3 n GLY 183 Ca 0.07 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2gw3 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gw3 s VAL 184 N -2.37 2.83 -0.22 1.61 1.01 -1.25 -4.29 120.40 117.72 2gw3 s VAL 184 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 2gw3 s VAL 184 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2gw3 s VAL 184 CO 0.00 0.12 0.85 -0.75 0.00 0.00 0.00 175.10 175.32 2gw3 s LYS 185 N -0.54 4.22 0.24 2.72 2.20 -1.26 -5.03 119.74 122.30 2gw3 s LYS 185 Ca 0.57 1.00 -0.28 0.00 -0.36 0.00 0.00 55.97 56.89 2gw3 s LYS 185 Cb -0.40 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.21 2gw3 s LYS 185 CO 0.43 -0.47 0.91 -0.51 -0.36 0.00 0.00 175.35 175.36 2gw3 s LEU 186 N 2.66 4.58 0.64 5.43 1.43 -1.26 -4.59 118.68 127.57 2gw3 s LEU 186 Ca 0.37 1.88 -0.07 0.00 -1.03 0.00 0.00 54.13 55.27 2gw3 s LEU 186 Cb -0.16 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.45 2gw3 s LEU 186 CO 0.09 0.12 0.96 -2.16 0.23 0.00 0.00 176.35 175.59 2gw3 s PRO 187 N -1.35 2.72 0.00 1.29 0.04 -1.26 -4.84 135.00 131.60 2gw3 s PRO 187 Ca 0.42 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2gw3 s PRO 187 Cb -0.24 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2gw3 s PRO 187 CO 0.30 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2gw3 n GLY 188 N -2.73 0.98 3.71 0.56 0.00 -1.26 -4.82 105.19 101.63 2gw3 n GLY 188 Ca 0.06 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2gw3 n GLY 188 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gw3 s TYR 189 N 0.53 2.78 0.15 1.61 5.04 -1.26 -4.72 117.35 121.47 2gw3 s TYR 189 Ca 0.00 0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 2gw3 s TYR 189 Cb 0.00 -4.13 0.02 0.00 0.35 0.00 0.00 41.96 38.20 2gw3 s TYR 189 CO 0.00 -4.35 0.27 -2.39 -1.34 0.00 0.00 175.55 167.74 2gw3 n HIS 190 N 4.29 -1.33 -4.23 4.97 1.44 -0.47 -5.00 115.22 114.89 2gw3 n HIS 190 Ca 0.16 -0.78 -0.18 0.00 -2.01 0.00 0.00 57.72 54.92 2gw3 n HIS 190 Cb 0.36 0.32 -0.11 0.00 0.12 0.00 0.00 29.99 30.68 2gw3 n HIS 190 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2gw3 s PHE 191 N -5.76 1.35 -0.17 -1.40 0.08 -0.45 -0.66 117.98 110.97 2gw3 s PHE 191 Ca 0.08 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 2gw3 s PHE 191 Cb -0.01 -0.71 0.05 0.00 -0.57 0.00 0.00 43.02 41.77 2gw3 s PHE 191 CO 0.06 0.12 0.03 0.08 -0.10 0.00 0.00 175.22 175.40 2gw3 s VAL 192 N -2.06 0.51 0.33 -0.44 1.01 -0.23 -0.81 120.40 118.72 2gw3 s VAL 192 Ca 0.07 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2gw3 s VAL 192 Cb -0.05 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 2gw3 s VAL 192 CO 0.03 -0.10 1.02 -1.81 0.00 0.00 0.00 175.10 174.23 2gw3 s ASP 193 N 1.88 7.15 0.08 3.32 1.01 0.49 -0.45 116.67 130.15 2gw3 s ASP 193 Ca 0.00 2.02 0.02 0.00 0.71 0.00 0.00 52.55 55.31 2gw3 s ASP 193 Cb -0.16 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 2gw3 s ASP 193 CO -0.07 -0.21 -0.08 -1.00 0.21 0.00 0.00 175.17 174.02 2gw3 s HIS 194 N -1.47 0.86 -0.23 4.23 3.76 0.38 -1.22 115.29 121.60 2gw3 s HIS 194 Ca 0.50 -0.71 -0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2gw3 s HIS 194 Cb -0.24 -0.49 0.13 0.00 1.11 0.00 0.00 32.58 33.08 2gw3 s HIS 194 CO 0.30 -0.09 0.36 0.00 -0.85 0.00 0.00 174.74 174.46 2gw3 s ILE 196 N 2.52 3.99 -0.08 0.00 2.07 -1.26 -1.54 121.20 126.90 2gw3 s ILE 196 Ca 0.11 -0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 58.92 2gw3 s ILE 196 Cb -0.15 -2.66 0.02 0.00 0.13 0.00 0.00 42.46 39.80 2gw3 s ILE 196 CO -0.15 0.59 0.20 -0.44 -1.91 0.00 0.00 174.94 173.23 2gw3 s SER 197 N -0.74 -0.20 -0.42 4.50 0.01 0.41 -4.63 113.70 112.63 2gw3 s SER 197 Ca 0.11 0.40 -0.24 0.00 1.31 0.00 0.00 55.95 57.53 2gw3 s SER 197 Cb -0.11 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.52 2gw3 s SER 197 CO 0.02 -0.08 0.83 -0.63 0.41 0.00 0.00 173.24 173.79 2gw3 s ILE 198 N 0.26 4.63 0.19 1.44 1.01 -1.26 -0.82 121.20 126.65 2gw3 s ILE 198 Ca -0.01 0.73 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 2gw3 s ILE 198 Cb -0.03 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 2gw3 s ILE 198 CO -0.01 -0.63 1.48 -0.07 0.00 0.00 0.00 174.94 175.71 2gw3 h LEU 199 N 10.10 0.59 -7.13 2.97 3.38 -0.76 -3.47 115.31 120.99 2gw3 h LEU 199 Ca -0.24 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.53 2gw3 h LEU 199 Cb 1.09 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 2gw3 h LEU 199 CO 0.96 1.05 0.53 0.00 0.09 0.00 0.00 178.44 181.07 2gw3 s ARG 200 N -3.89 0.84 0.09 1.13 1.70 -1.21 -5.01 118.95 112.60 2gw3 s ARG 200 Ca -0.07 -0.35 -0.25 0.00 -0.47 0.00 0.00 55.73 54.59 2gw3 s ARG 200 Cb 0.11 0.36 0.08 0.00 -0.57 0.00 0.00 34.95 34.93 2gw3 s ARG 200 CO 0.84 -0.37 0.72 -3.38 -1.08 0.00 0.00 175.30 172.03 2gw3 s HIS 201 N -3.08 -0.46 0.76 5.89 -3.43 -1.26 -0.94 115.29 112.77 2gw3 s HIS 201 Ca 0.07 0.29 -0.06 0.00 -0.80 0.00 0.00 55.06 54.56 2gw3 s HIS 201 Cb -0.01 0.55 0.12 0.00 -1.43 0.00 0.00 32.58 31.81 2gw3 s HIS 201 CO -0.06 -0.72 1.06 0.16 -2.00 0.00 0.00 174.74 173.18 2gw3 s ASP 202 N -2.62 4.23 0.20 7.38 3.84 -0.78 -4.94 116.67 123.97 2gw3 s ASP 202 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 52.55 52.37 2gw3 s ASP 202 Cb -0.01 -0.40 0.14 0.00 -1.38 0.00 0.00 42.92 41.27 2gw3 s ASP 202 CO -0.11 -1.96 1.57 0.50 -0.00 0.00 0.00 175.17 175.17 2gw3 h LYS 203 N -0.77 -0.12 -0.31 2.11 3.64 -2.02 -2.01 116.57 117.09 2gw3 h LYS 203 Ca -0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2gw3 h LYS 203 Cb 1.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2gw3 h LYS 203 CO 0.45 -0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 177.30 2gw3 n ASP 204 N -5.44 2.41 -1.16 4.20 8.00 -1.26 -4.93 116.55 118.37 2gw3 n ASP 204 Ca 0.05 -1.87 -0.12 0.00 0.71 0.00 0.00 54.79 53.56 2gw3 n ASP 204 Cb 0.36 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2gw3 n ASP 204 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2gw3 n TYR 205 N 0.81 -0.29 0.20 1.24 4.01 -0.75 -4.44 117.16 117.93 2gw3 n TYR 205 Ca 0.17 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.97 2gw3 n TYR 205 Cb 0.43 -2.49 0.39 0.00 -0.31 0.00 0.00 39.34 37.36 2gw3 n TYR 205 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2gw3 h ASN 206 N 0.00 0.00 -3.20 7.72 2.35 -1.92 -3.41 115.58 117.13 2gw3 h ASN 206 Ca -0.27 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.94 2gw3 h ASN 206 Cb 1.01 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 39.01 2gw3 h ASN 206 CO 0.35 0.34 -0.81 -1.61 -1.65 0.00 0.00 177.43 174.06 2gw3 s GLU 207 N -3.77 1.72 -0.01 0.81 2.02 -1.26 -0.86 118.70 117.35 2gw3 s GLU 207 Ca -0.01 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2gw3 s GLU 207 Cb 0.12 -1.67 -0.00 0.00 0.10 0.00 0.00 34.13 32.67 2gw3 s GLU 207 CO 0.68 -0.22 -0.09 0.08 0.02 0.00 0.00 175.26 175.73 2gw3 s VAL 208 N 1.52 0.72 -0.27 2.63 1.01 -0.32 -1.86 120.40 123.84 2gw3 s VAL 208 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2gw3 s VAL 208 Cb -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2gw3 s VAL 208 CO -0.07 0.21 0.07 -0.75 0.00 0.00 0.00 175.10 174.56 2gw3 s LYS 209 N -0.05 3.36 0.12 2.72 2.47 -0.12 -0.35 119.74 127.89 2gw3 s LYS 209 Ca 0.01 -0.67 0.08 0.00 -1.56 0.00 0.00 55.97 53.83 2gw3 s LYS 209 Cb -0.05 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 2gw3 s LYS 209 CO -0.00 -0.31 -0.12 -1.17 0.16 0.00 0.00 175.35 173.90 2gw3 s LEU 210 N 1.55 2.92 -0.05 5.43 2.96 0.04 0.01 118.68 131.54 2gw3 s LEU 210 Ca 0.05 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.40 2gw3 s LEU 210 Cb -0.16 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.83 2gw3 s LEU 210 CO 0.02 0.17 0.20 -0.47 -1.32 0.00 0.00 176.35 174.95 2gw3 s TYR 211 N -1.27 -0.15 0.00 5.38 5.04 0.00 -0.79 117.35 125.57 2gw3 s TYR 211 Ca 0.21 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 2gw3 s TYR 211 Cb -0.11 0.04 -0.00 0.00 0.35 0.00 0.00 41.96 42.25 2gw3 s TYR 211 CO 0.13 -0.19 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.13 2gw3 s GLU 212 N -0.48 0.08 -0.07 4.97 2.12 -0.52 -0.44 118.70 124.36 2gw3 s GLU 212 Ca -0.06 -0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.21 2gw3 s GLU 212 Cb -0.04 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2gw3 s GLU 212 CO 0.01 0.00 -0.18 -1.58 -0.54 0.00 0.00 175.26 172.98 2gw3 s HIS 213 N -0.20 1.93 -0.08 5.30 5.65 -0.59 -1.73 115.29 125.58 2gw3 s HIS 213 Ca -0.02 -0.70 -0.07 0.00 0.25 0.00 0.00 55.06 54.53 2gw3 s HIS 213 Cb -0.01 -1.33 0.02 0.00 -1.18 0.00 0.00 32.58 30.08 2gw3 s HIS 213 CO -0.00 -0.29 0.20 0.00 -0.65 0.00 0.00 174.74 174.00 2gw3 s ALA 214 N 0.35 -0.49 -0.03 1.58 0.00 0.44 -0.92 121.76 122.69 2gw3 s ALA 214 Ca -0.13 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 2gw3 s ALA 214 Cb -0.15 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.66 2gw3 s ALA 214 CO 0.05 -0.10 0.03 0.08 0.00 0.00 0.00 175.76 175.83 2gw3 s VAL 215 N 0.16 -0.02 0.25 0.00 1.01 -0.35 -1.22 120.40 120.22 2gw3 s VAL 215 Ca -0.00 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 2gw3 s VAL 215 Cb -0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 2gw3 s VAL 215 CO -0.00 0.14 0.66 0.00 0.00 0.00 0.00 175.10 175.90 2gw3 s ALA 216 N 1.50 3.44 0.34 5.51 0.00 0.10 -0.38 121.76 132.26 2gw3 s ALA 216 Ca -0.04 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 2gw3 s ALA 216 Cb -0.13 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.36 2gw3 s ALA 216 CO -0.03 0.39 0.74 -3.38 0.00 0.00 0.00 175.76 173.48 2gw3 s HIS 217 N -1.74 0.03 -1.24 0.00 -3.43 0.01 -4.42 115.29 104.49 2gw3 s HIS 217 Ca 0.47 -0.59 0.18 0.00 -0.80 0.00 0.00 55.06 54.31 2gw3 s HIS 217 Cb -0.13 0.74 0.59 0.00 -1.43 0.00 0.00 32.58 32.35 2gw3 s HIS 217 CO 0.19 -1.41 1.50 0.43 -2.00 0.00 0.00 174.74 173.46 2gw3 n SER 218 N -0.99 4.04 -0.17 7.38 7.64 -1.26 -1.35 113.62 128.91 2gw3 n SER 218 Ca -0.06 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2gw3 n SER 218 Cb 0.60 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2gw3 n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gw3 n GLY 219 N 1.00 0.01 1.03 0.23 0.00 -1.26 -4.94 105.19 101.26 2gw3 n GLY 219 Ca 0.22 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2gw3 n GLY 219 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22