#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 s ASN 5 N 0.00 5.95 -0.15 4.39 0.01 -1.26 -5.10 114.94 118.79 2wb1 s ASN 5 Ca 0.00 0.20 -0.17 0.00 -0.71 0.00 0.00 52.86 52.18 2wb1 s ASN 5 Cb 0.00 -1.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.07 2wb1 s ASN 5 CO 0.00 -0.56 0.43 -0.63 -1.51 0.00 0.00 177.10 174.83 2wb1 s ILE 6 N -2.41 5.21 -0.22 0.60 1.01 -1.26 -4.99 121.20 119.13 2wb1 s ILE 6 Ca 0.46 0.83 -0.19 0.00 0.00 0.00 0.00 60.65 61.74 2wb1 s ILE 6 Cb -0.10 -3.76 -0.17 0.00 0.01 0.00 0.00 42.46 38.44 2wb1 s ILE 6 CO 0.36 0.32 0.06 1.17 0.00 0.00 0.00 174.94 176.84 2wb1 n LYS 7 N 3.85 0.57 -1.11 2.79 4.81 -1.26 -5.09 118.16 122.72 2wb1 n LYS 7 Ca -0.08 0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2wb1 n LYS 7 Cb 0.51 -1.68 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2wb1 n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wb1 n GLY 8 N 1.39 1.83 2.83 3.14 0.00 -1.26 -5.17 105.19 107.95 2wb1 n GLY 8 Ca -0.37 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 2wb1 n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 9 N -2.90 0.19 -0.22 -0.61 1.01 -1.26 -5.13 121.20 112.27 2wb1 s ILE 9 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.59 2wb1 s ILE 9 Cb -0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 2wb1 s ILE 9 CO 0.00 0.14 0.28 -0.54 0.00 0.00 0.00 174.94 174.82 2wb1 s LYS 10 N 0.97 4.12 0.14 2.79 1.02 -1.26 -5.09 119.74 122.42 2wb1 s LYS 10 Ca -0.10 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2wb1 s LYS 10 Cb -0.13 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2wb1 s LYS 10 CO -0.02 0.01 0.30 -0.06 -0.92 0.00 0.00 175.35 174.66 2wb1 s PHE 11 N 1.20 3.49 0.00 3.18 0.40 -1.26 -5.09 117.98 119.91 2wb1 s PHE 11 Ca 0.13 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 2wb1 s PHE 11 Cb -0.14 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2wb1 s PHE 11 CO 0.06 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.89 2wb1 n GLY 12 N -0.28 -0.17 3.72 4.36 0.00 -1.26 -4.76 105.19 106.80 2wb1 n GLY 12 Ca -0.05 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 2wb1 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 13 N -2.00 5.37 -0.04 -0.61 1.01 -1.19 -4.89 121.20 118.85 2wb1 s ILE 13 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 2wb1 s ILE 13 Cb 0.00 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2wb1 s ILE 13 CO 0.00 0.41 1.68 -0.22 0.00 0.00 0.00 174.94 176.81 2wb1 s LEU 14 N 0.49 4.34 0.17 2.97 2.96 -1.26 -4.55 118.68 123.79 2wb1 s LEU 14 Ca 0.11 2.29 -0.28 0.00 -0.22 0.00 0.00 54.13 56.03 2wb1 s LEU 14 Cb -0.12 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 2wb1 s LEU 14 CO 0.01 -0.93 0.87 -0.94 -1.32 0.00 0.00 176.35 174.03 2wb1 s SER 15 N 3.40 7.49 0.48 3.68 1.04 -1.26 -4.92 113.70 123.61 2wb1 s SER 15 Ca 0.75 1.76 0.28 0.00 0.48 0.00 0.00 55.95 59.22 2wb1 s SER 15 Cb -0.35 -2.55 1.35 0.00 0.10 0.00 0.00 66.02 64.57 2wb1 s SER 15 CO 0.31 0.12 1.81 -0.65 0.98 0.00 0.00 173.24 175.81 2wb1 h PRO 16 N 4.64 0.16 0.63 4.02 0.11 -1.91 -2.66 132.00 136.99 2wb1 h PRO 16 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2wb1 h PRO 16 Cb 1.20 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.28 2wb1 h PRO 16 CO 0.68 0.11 -0.30 -0.44 -0.21 0.00 0.00 178.00 177.84 2wb1 h ASP 17 N 0.17 -0.72 -0.27 -2.05 3.32 -2.00 -2.79 116.42 112.08 2wb1 h ASP 17 Ca 0.55 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.68 2wb1 h ASP 17 Cb 1.83 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 41.48 2wb1 h ASP 17 CO -0.13 -0.49 -0.42 -0.33 -1.72 0.00 0.00 179.24 176.15 2wb1 h GLU 18 N -0.88 -0.39 -0.83 3.56 5.08 -1.92 -1.80 114.58 117.40 2wb1 h GLU 18 Ca -0.09 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2wb1 h GLU 18 Cb 0.65 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.86 2wb1 h GLU 18 CO 0.14 -0.26 -0.36 -0.89 -1.00 0.00 0.00 179.01 176.64 2wb1 n ILE 19 N -5.42 -0.47 0.16 3.13 5.41 -1.02 -0.92 119.36 120.23 2wb1 n ILE 19 Ca -0.02 1.96 -0.14 0.00 1.00 0.00 0.00 62.75 65.54 2wb1 n ILE 19 Cb 0.35 -2.54 -0.08 0.00 -0.71 0.00 0.00 39.64 36.66 2wb1 n ILE 19 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2wb1 h ARG 20 N 0.00 -0.36 -6.01 0.38 3.08 -1.10 -3.43 114.38 106.94 2wb1 h ARG 20 Ca 0.25 0.02 -0.86 0.00 0.07 0.00 0.00 59.98 59.46 2wb1 h ARG 20 Cb 0.46 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.60 2wb1 h ARG 20 CO -0.81 -0.13 0.75 1.63 -1.07 0.00 0.00 179.97 180.34 2wb1 n LYS 21 N -5.18 0.07 0.00 0.04 4.01 -0.10 -2.66 118.16 114.34 2wb1 n LYS 21 Ca -0.10 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2wb1 n LYS 21 Cb 0.22 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 2wb1 n LYS 21 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2wb1 n MET 22 N 4.33 0.00 -0.54 1.97 2.81 -1.26 -4.90 117.12 119.54 2wb1 n MET 22 Ca 0.32 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.92 2wb1 n MET 22 Cb -0.05 -2.26 0.26 0.00 -0.71 0.00 0.00 33.22 30.46 2wb1 n MET 22 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2wb1 s SER 23 N -0.18 0.24 -0.09 7.83 0.01 -1.09 -5.02 113.70 115.41 2wb1 s SER 23 Ca 0.00 1.20 -0.06 0.00 1.31 0.00 0.00 55.95 58.40 2wb1 s SER 23 Cb 0.00 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2wb1 s SER 23 CO 0.00 -4.61 0.15 0.68 0.41 0.00 0.00 173.24 169.87 2wb1 s VAL 24 N -2.44 5.45 -0.21 3.43 -7.23 -1.14 -5.02 120.40 113.23 2wb1 s VAL 24 Ca 0.68 0.08 0.02 0.00 -1.81 0.00 0.00 61.98 60.95 2wb1 s VAL 24 Cb -0.20 -3.42 0.04 0.00 0.56 0.00 0.00 36.38 33.36 2wb1 s VAL 24 CO 0.62 0.53 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.91 2wb1 s THR 25 N -1.11 1.95 0.47 5.32 2.01 -1.26 -2.32 115.64 120.69 2wb1 s THR 25 Ca 0.19 -1.16 -0.25 0.00 0.31 0.00 0.00 61.69 60.78 2wb1 s THR 25 Cb -0.12 -1.93 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 2wb1 s THR 25 CO 0.08 0.25 1.43 0.00 -0.69 0.00 0.00 174.62 175.69 2wb1 s ALA 26 N 1.27 3.18 0.00 7.40 0.00 -0.90 -4.83 121.76 127.88 2wb1 s ALA 26 Ca -0.01 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2wb1 s ALA 26 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2wb1 s ALA 26 CO -0.09 -1.24 0.00 -0.89 0.00 0.00 0.00 175.76 173.54 2wb1 n ILE 27 N -0.33 0.00 -3.83 0.00 5.41 -1.26 -4.73 119.36 114.62 2wb1 n ILE 27 Ca 0.06 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.55 2wb1 n ILE 27 Cb 0.42 -0.58 -0.00 0.00 -0.71 0.00 0.00 39.64 38.77 2wb1 n ILE 27 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2wb1 s ILE 28 N -1.77 1.70 -0.14 1.39 1.01 -1.23 -5.12 121.20 117.04 2wb1 s ILE 28 Ca 0.00 -1.46 -0.15 0.00 0.00 0.00 0.00 60.65 59.04 2wb1 s ILE 28 Cb 0.00 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 2wb1 s ILE 28 CO 0.00 0.00 -0.29 0.41 0.00 0.00 0.00 174.94 175.06 2wb1 n THR 29 N -1.79 1.45 0.17 2.92 -1.04 -1.26 -4.86 114.28 109.87 2wb1 n THR 29 Ca -0.00 0.17 0.06 0.00 -2.04 0.00 0.00 64.05 62.23 2wb1 n THR 29 Cb 0.64 -2.21 0.09 0.00 -1.82 0.00 0.00 70.33 67.03 2wb1 n THR 29 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wb1 h PRO 30 N -0.83 0.00 0.00 -2.82 0.13 -2.00 -3.50 132.00 122.99 2wb1 h PRO 30 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2wb1 h PRO 30 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2wb1 h PRO 30 CO -0.01 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 2wb1 n GLY 42 N 1.16 -0.07 0.01 1.56 0.00 -1.26 -5.03 105.19 101.56 2wb1 n GLY 42 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 2wb1 n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 43 N -1.71 4.33 -3.94 1.61 3.41 -1.26 -4.70 113.62 111.36 2wb1 n SER 43 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2wb1 n SER 43 Cb 0.00 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 2wb1 n SER 43 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wb1 n VAL 44 N -1.91 2.48 0.00 -3.33 0.31 -1.26 -4.51 118.33 110.11 2wb1 n VAL 44 Ca -0.03 -5.06 0.00 0.00 -0.01 0.00 0.00 64.34 59.24 2wb1 n VAL 44 Cb 0.39 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 2wb1 n VAL 44 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2wb1 n MET 45 N 1.95 0.00 0.00 5.55 0.00 -1.26 -3.56 117.12 119.80 2wb1 n MET 45 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 2wb1 n MET 45 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.58 2wb1 n MET 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2wb1 n ASP 46 N -0.61 3.94 -4.92 6.12 9.92 -1.26 -5.01 116.55 124.72 2wb1 n ASP 46 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 2wb1 n ASP 46 Cb 0.00 0.58 0.05 0.00 -0.64 0.00 0.00 41.12 41.10 2wb1 n ASP 46 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2wb1 s PRO 47 N -1.69 2.63 0.00 -0.24 0.04 -1.26 -4.09 135.00 130.39 2wb1 s PRO 47 Ca 0.00 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.94 2wb1 s PRO 47 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wb1 s PRO 47 CO 0.00 -0.92 0.00 0.54 0.04 0.00 0.00 177.00 176.66 2wb1 n ARG 48 N -2.72 -0.60 0.00 4.56 1.74 -1.26 -4.82 116.66 113.56 2wb1 n ARG 48 Ca 0.06 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 2wb1 n ARG 48 Cb 0.59 -3.66 0.01 0.00 -1.02 0.00 0.00 32.46 28.38 2wb1 n ARG 48 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wb1 n LEU 49 N 0.00 1.39 0.00 0.55 4.77 -1.26 -4.61 117.00 117.84 2wb1 n LEU 49 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2wb1 n LEU 49 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2wb1 n LEU 49 CO 0.00 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2wb1 n GLY 50 N 0.86 2.08 3.05 -0.72 0.00 -1.26 -3.20 105.19 106.00 2wb1 n GLY 50 Ca 0.05 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 2wb1 n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wb1 s VAL 51 N -1.61 1.93 0.21 1.61 -7.23 -1.25 -4.87 120.40 109.20 2wb1 s VAL 51 Ca 0.00 -1.24 -0.21 0.00 -1.81 0.00 0.00 61.98 58.73 2wb1 s VAL 51 Cb 0.00 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 2wb1 s VAL 51 CO 0.00 0.17 0.73 0.27 -0.31 0.00 0.00 175.10 175.97 2wb1 s ILE 52 N 1.26 4.54 0.47 -0.62 -4.36 -1.26 -4.37 121.20 116.86 2wb1 s ILE 52 Ca -0.03 1.35 0.00 0.00 -0.26 0.00 0.00 60.65 61.71 2wb1 s ILE 52 Cb -0.17 -3.90 0.00 0.00 1.25 0.00 0.00 42.46 39.64 2wb1 s ILE 52 CO -0.08 0.25 0.00 -0.62 0.24 0.00 0.00 174.94 174.73 2wb1 n GLU 53 N 0.85 -2.68 -0.66 0.37 1.02 -1.26 -4.96 120.64 113.32 2wb1 n GLU 53 Ca -0.03 2.17 -0.30 0.00 -0.02 0.00 0.00 57.16 58.98 2wb1 n GLU 53 Cb 0.51 -2.99 0.26 0.00 -0.02 0.00 0.00 31.44 29.20 2wb1 n GLU 53 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 54 N -4.25 -1.78 0.00 3.49 0.04 -1.26 -4.66 135.00 126.58 2wb1 s PRO 54 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2wb1 s PRO 54 Cb 0.00 -1.50 0.00 0.00 0.04 0.00 0.00 34.50 33.04 2wb1 s PRO 54 CO 0.00 -4.15 0.00 0.41 0.04 0.00 0.00 177.00 173.30 2wb1 n GLY 55 N 0.43 0.74 0.00 0.56 0.00 -1.26 -5.01 105.19 100.66 2wb1 n GLY 55 Ca 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2wb1 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wb1 n GLN 56 N 0.00 3.38 -2.51 1.61 6.02 -1.26 -4.72 117.38 119.90 2wb1 n GLN 56 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2wb1 n GLN 56 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 2wb1 n GLN 56 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wb1 n LYS 57 N 0.00 0.76 -3.83 -1.09 5.02 -1.26 -2.90 118.16 114.86 2wb1 n LYS 57 Ca 0.00 -2.23 -0.36 0.00 -2.02 0.00 0.00 58.31 53.70 2wb1 n LYS 57 Cb 0.00 -0.10 -0.10 0.00 -0.02 0.00 0.00 35.03 34.82 2wb1 n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb1 h PRO 59 N 7.21 0.00 0.00 0.00 0.11 -1.95 -1.87 132.00 135.50 2wb1 h PRO 59 Ca -0.38 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 2wb1 h PRO 59 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2wb1 h PRO 59 CO 0.67 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.74 2wb1 h THR 60 N 0.00 0.68 0.00 -1.15 1.03 -1.94 -3.45 112.91 108.08 2wb1 h THR 60 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 66.41 64.67 2wb1 h THR 60 Cb 0.29 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 2wb1 h THR 60 CO 0.00 0.23 -0.16 0.00 -0.01 0.00 0.00 175.52 175.58 2wb1 n GLY 62 N 3.11 1.69 3.80 0.00 0.00 -0.71 -4.84 105.19 108.25 2wb1 n GLY 62 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2wb1 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 63 N -1.69 7.06 0.42 1.61 0.02 -1.26 -4.20 114.94 116.88 2wb1 s ASN 63 Ca 0.00 1.77 -0.23 0.00 -1.02 0.00 0.00 52.86 53.38 2wb1 s ASN 63 Cb 0.00 -2.56 -0.10 0.00 0.02 0.00 0.00 41.25 38.62 2wb1 s ASN 63 CO 0.00 -0.27 1.00 -0.89 0.02 0.00 0.00 177.10 176.95 2wb1 s THR 64 N -1.95 4.03 0.00 1.60 2.01 -1.26 -3.57 115.64 116.50 2wb1 s THR 64 Ca 0.58 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.99 2wb1 s THR 64 Cb -0.13 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2wb1 s THR 64 CO 0.18 -0.13 0.00 0.18 -0.69 0.00 0.00 174.62 174.16 2wb1 n LEU 65 N -0.35 0.00 -1.52 4.42 4.77 -1.14 -3.25 117.00 119.93 2wb1 n LEU 65 Ca 0.06 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 2wb1 n LEU 65 Cb 0.52 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.79 2wb1 n LEU 65 CO 0.41 0.00 0.78 0.61 -1.33 0.00 0.00 177.39 177.86 2wb1 n GLY 66 N 0.00 2.89 2.18 -0.72 0.00 -1.26 -4.27 105.19 104.01 2wb1 n GLY 66 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2wb1 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wb1 n ASN 67 N -0.01 5.50 -2.88 1.61 5.15 -1.20 -4.57 115.26 118.85 2wb1 n ASN 67 Ca 0.25 -3.71 -0.12 0.00 -0.60 0.00 0.00 54.58 50.40 2wb1 n ASN 67 Cb 1.00 -0.86 0.05 0.00 -0.53 0.00 0.00 39.78 39.43 2wb1 n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wb1 s PRO 69 N -0.86 2.55 0.00 0.00 0.04 -1.26 -3.81 135.00 131.66 2wb1 s PRO 69 Ca 0.29 -1.39 0.00 0.00 0.04 0.00 0.00 61.00 59.94 2wb1 s PRO 69 Cb 0.33 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2wb1 s PRO 69 CO -0.06 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2wb1 n GLY 70 N -1.20 0.61 2.99 0.56 0.00 -1.26 -5.06 105.19 101.84 2wb1 n GLY 70 Ca -0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2wb1 n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wb1 s HIS 71 N -0.81 2.13 0.12 1.61 3.76 -1.20 -5.02 115.29 115.89 2wb1 s HIS 71 Ca 0.00 -1.25 -0.17 0.00 -0.15 0.00 0.00 55.06 53.49 2wb1 s HIS 71 Cb 0.00 -1.55 -0.07 0.00 1.11 0.00 0.00 32.58 32.07 2wb1 s HIS 71 CO 0.00 -0.67 0.57 -0.06 -0.85 0.00 0.00 174.74 173.73 2wb1 s PHE 72 N 1.50 3.69 0.30 1.40 0.40 -1.26 -3.62 117.98 120.39 2wb1 s PHE 72 Ca 0.03 1.17 0.06 0.00 -0.60 0.00 0.00 56.93 57.60 2wb1 s PHE 72 Cb -0.14 -2.44 -0.02 0.00 0.51 0.00 0.00 43.02 40.93 2wb1 s PHE 72 CO -0.10 0.48 0.37 0.20 0.70 0.00 0.00 175.22 176.87 2wb1 s GLY 73 N -1.48 1.53 -0.01 4.36 0.00 0.63 -2.88 107.32 109.48 2wb1 s GLY 73 Ca 0.35 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.63 2wb1 s GLY 73 CO 0.19 -1.41 -0.03 0.30 0.00 0.00 0.00 173.10 172.15 2wb1 s HIS 74 N -2.16 0.36 -0.13 1.90 0.09 -0.98 0.14 115.29 114.51 2wb1 s HIS 74 Ca 0.40 -0.06 -0.00 0.00 -0.00 0.00 0.00 55.06 55.40 2wb1 s HIS 74 Cb -0.08 -0.27 0.02 0.00 -0.00 0.00 0.00 32.58 32.25 2wb1 s HIS 74 CO 0.29 -0.03 -0.10 0.42 -0.00 0.00 0.00 174.74 175.31 2wb1 s ILE 75 N 0.12 1.25 -0.28 0.60 1.01 -0.75 -2.12 121.20 121.04 2wb1 s ILE 75 Ca -0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 2wb1 s ILE 75 Cb -0.04 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2wb1 s ILE 75 CO -0.00 0.40 0.58 -1.61 0.00 0.00 0.00 174.94 174.30 2wb1 s GLU 76 N 1.62 4.01 0.22 2.79 2.02 -1.26 -1.48 118.70 126.61 2wb1 s GLU 76 Ca 0.05 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 2wb1 s GLU 76 Cb -0.13 -3.68 -0.09 0.00 0.10 0.00 0.00 34.13 30.34 2wb1 s GLU 76 CO -0.09 -0.45 0.99 -0.51 0.02 0.00 0.00 175.26 175.23 2wb1 s LEU 77 N 2.45 4.59 -0.44 1.80 2.01 0.94 -5.00 118.68 125.03 2wb1 s LEU 77 Ca 0.23 2.01 -0.11 0.00 0.01 0.00 0.00 54.13 56.28 2wb1 s LEU 77 Cb -0.15 -3.61 0.08 0.00 0.01 0.00 0.00 46.19 42.52 2wb1 s LEU 77 CO 0.10 0.02 0.30 0.54 1.01 0.00 0.00 176.35 178.33 2wb1 s VAL 78 N -0.91 4.47 0.00 -1.59 0.11 -1.26 -4.71 120.40 116.51 2wb1 s VAL 78 Ca 0.43 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 2wb1 s VAL 78 Cb -0.27 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 2wb1 s VAL 78 CO 0.34 -0.56 0.00 0.54 -3.33 0.00 0.00 175.10 172.09 2wb1 n ARG 79 N 4.99 0.00 -1.23 1.54 3.00 -1.26 -4.91 116.66 118.79 2wb1 n ARG 79 Ca -0.10 0.25 -0.36 0.00 -0.01 0.00 0.00 57.85 57.62 2wb1 n ARG 79 Cb 0.43 -0.49 0.06 0.00 0.00 0.00 0.00 32.46 32.46 2wb1 n ARG 79 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2wb1 n PRO 80 N 0.35 0.23 -5.18 5.56 -0.02 -1.26 -4.98 135.00 129.70 2wb1 n PRO 80 Ca 0.00 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.29 2wb1 n PRO 80 Cb 0.00 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 2wb1 n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wb1 s VAL 81 N -1.94 1.90 0.29 -1.45 1.01 -1.04 -4.54 120.40 114.64 2wb1 s VAL 81 Ca 0.62 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2wb1 s VAL 81 Cb -0.35 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 2wb1 s VAL 81 CO 0.61 0.53 1.10 -0.63 0.00 0.00 0.00 175.10 176.71 2wb1 s ILE 82 N -0.29 3.48 -0.36 2.22 1.01 -1.26 -1.52 121.20 124.49 2wb1 s ILE 82 Ca 0.01 1.45 -0.22 0.00 0.00 0.00 0.00 60.65 61.90 2wb1 s ILE 82 Cb -0.12 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2wb1 s ILE 82 CO 0.02 0.32 0.71 -2.28 0.00 0.00 0.00 174.94 173.71 2wb1 s HIS 83 N -1.21 3.14 0.37 3.97 5.65 -1.26 -4.72 115.29 121.24 2wb1 s HIS 83 Ca 0.46 0.47 0.12 0.00 0.25 0.00 0.00 55.06 56.37 2wb1 s HIS 83 Cb -0.31 -3.26 0.92 0.00 -1.18 0.00 0.00 32.58 28.75 2wb1 s HIS 83 CO 0.40 -0.67 1.84 -0.39 -0.65 0.00 0.00 174.74 175.27 2wb1 h VAL 84 N 5.70 0.73 -0.09 0.89 -1.51 -1.92 -1.75 116.25 118.32 2wb1 h VAL 84 Ca -0.25 -0.20 0.02 0.00 -1.23 0.00 0.00 66.70 65.04 2wb1 h VAL 84 Cb 1.10 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 2wb1 h VAL 84 CO 0.87 0.11 -0.02 1.23 -1.23 0.00 0.00 177.57 178.52 2wb1 h GLY 85 N 0.58 0.06 -3.25 5.19 0.00 -1.96 -2.53 103.07 101.16 2wb1 h GLY 85 Ca 0.49 0.03 -0.18 0.00 0.00 0.00 0.00 47.33 47.67 2wb1 h GLY 85 CO -0.23 -0.03 0.22 0.69 0.00 0.00 0.00 176.54 177.19 2wb1 n PHE 86 N -5.14 1.97 0.23 5.60 3.72 -0.79 -4.46 117.46 118.60 2wb1 n PHE 86 Ca -0.05 -1.00 0.12 0.00 -0.05 0.00 0.00 57.45 56.48 2wb1 n PHE 86 Cb 0.07 -0.59 0.44 0.00 -0.94 0.00 0.00 39.48 38.46 2wb1 n PHE 86 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2wb1 h VAL 87 N 2.12 0.25 0.00 -4.37 3.04 -0.89 0.29 116.25 116.69 2wb1 h VAL 87 Ca 0.22 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 2wb1 h VAL 87 Cb 2.02 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 33.08 2wb1 h VAL 87 CO 0.60 0.11 -0.84 2.29 -1.01 0.00 0.00 177.57 178.72 2wb1 n LYS 88 N -3.20 0.26 -0.02 4.17 0.00 -1.26 -3.06 118.16 115.05 2wb1 n LYS 88 Ca 0.01 0.03 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 2wb1 n LYS 88 Cb 0.43 -1.61 -0.14 0.00 -0.00 0.00 0.00 35.03 33.71 2wb1 n LYS 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2wb1 n HIS 89 N -1.96 1.05 -0.21 5.58 8.25 -0.96 -3.12 115.22 123.86 2wb1 n HIS 89 Ca 0.03 0.29 -0.06 0.00 -0.26 0.00 0.00 57.72 57.72 2wb1 n HIS 89 Cb 0.43 -1.16 0.04 0.00 1.12 0.00 0.00 29.99 30.41 2wb1 n HIS 89 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wb1 h VAL 90 N 0.04 1.14 -0.05 1.59 2.07 -0.58 -2.84 116.25 117.62 2wb1 h VAL 90 Ca -0.38 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2wb1 h VAL 90 Cb 2.03 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2wb1 h VAL 90 CO 0.08 0.15 -0.13 0.22 0.02 0.00 0.00 177.57 177.90 2wb1 h TYR 91 N 0.80 0.07 -0.08 1.57 5.03 -1.66 -2.78 116.97 119.92 2wb1 h TYR 91 Ca 0.22 -0.01 -0.23 0.00 2.58 0.00 0.00 58.73 61.29 2wb1 h TYR 91 Cb -0.08 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.19 2wb1 h TYR 91 CO -0.04 0.20 -0.87 0.93 -1.32 0.00 0.00 178.16 177.07 2wb1 h GLU 92 N 0.07 0.66 -0.77 1.82 5.08 -1.46 -3.26 114.58 116.72 2wb1 h GLU 92 Ca 0.01 -0.61 0.02 0.00 -1.00 0.00 0.00 59.36 57.79 2wb1 h GLU 92 Cb 0.28 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2wb1 h GLU 92 CO 0.02 1.22 0.51 0.74 -1.00 0.00 0.00 179.01 180.49 2wb1 h PHE 93 N 0.42 0.93 0.00 4.33 0.05 -1.26 -1.05 116.94 120.36 2wb1 h PHE 93 Ca -0.08 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.74 2wb1 h PHE 93 Cb 1.50 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 39.14 2wb1 h PHE 93 CO 0.08 0.56 0.00 -0.07 -0.18 0.00 0.00 178.31 178.70 2wb1 h LEU 94 N 0.98 0.00 -0.52 1.54 3.38 -1.57 -1.74 115.31 117.38 2wb1 h LEU 94 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2wb1 h LEU 94 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wb1 h LEU 94 CO -0.08 0.00 -0.02 0.29 0.09 0.00 0.00 178.44 178.72 2wb1 n LYS 95 N -2.99 1.29 -2.74 1.13 5.02 -0.40 -4.02 118.16 115.45 2wb1 n LYS 95 Ca -0.01 -0.52 -0.03 0.00 -2.02 0.00 0.00 58.31 55.73 2wb1 n LYS 95 Cb 0.20 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.80 2wb1 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb1 n ALA 96 N -0.40 2.66 -2.79 7.82 0.00 -0.68 -3.39 120.51 123.73 2wb1 n ALA 96 Ca 0.20 -2.17 -0.27 0.00 0.00 0.00 0.00 53.44 51.20 2wb1 n ALA 96 Cb 0.26 -0.89 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 2wb1 n ALA 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wb1 s THR 97 N -2.09 1.56 -1.24 0.00 2.01 -1.04 -3.26 115.64 111.58 2wb1 s THR 97 Ca 0.22 -0.80 0.18 0.00 0.31 0.00 0.00 61.69 61.60 2wb1 s THR 97 Cb 0.39 -1.33 0.24 0.00 0.01 0.00 0.00 72.50 71.82 2wb1 s THR 97 CO -0.05 0.44 1.56 0.00 -0.69 0.00 0.00 174.62 175.88 2wb1 n ARG 99 N -1.38 0.00 -0.00 0.00 1.74 -1.26 -3.98 116.66 111.78 2wb1 n ARG 99 Ca 0.07 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.23 2wb1 n ARG 99 Cb 0.17 -0.04 -0.10 0.00 -1.02 0.00 0.00 32.46 31.48 2wb1 n ARG 99 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wb1 n ARG 100 N 0.00 1.41 0.00 5.56 1.74 -1.26 -4.88 116.66 119.23 2wb1 n ARG 100 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2wb1 n ARG 100 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2wb1 n ARG 100 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wb1 n GLY 102 N 0.88 4.65 5.00 0.00 0.00 -1.25 -3.59 105.19 110.88 2wb1 n GLY 102 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2wb1 n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wb1 n ARG 103 N 0.00 0.00 -3.43 1.61 1.85 -1.20 -2.91 116.66 112.58 2wb1 n ARG 103 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2wb1 n ARG 103 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 2wb1 n ARG 103 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wb1 n VAL 104 N 0.00 -7.22 -3.73 8.89 0.31 -1.25 -4.73 118.33 110.59 2wb1 n VAL 104 Ca 0.00 -0.46 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 2wb1 n VAL 104 Cb 0.00 -5.20 0.02 0.00 -0.91 0.00 0.00 33.84 27.75 2wb1 n VAL 104 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wb1 n LYS 105 N -2.74 0.57 0.00 5.55 4.76 -1.26 -4.58 118.16 120.46 2wb1 n LYS 105 Ca -0.11 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 2wb1 n LYS 105 Cb 0.58 1.63 0.00 0.00 -1.84 0.00 0.00 35.03 35.40 2wb1 n LYS 105 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wb1 n ILE 106 N -0.51 0.00 1.32 -0.18 2.08 -1.26 -4.54 119.36 116.28 2wb1 n ILE 106 Ca -0.03 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.41 2wb1 n ILE 106 Cb 0.44 0.00 0.38 0.00 -0.75 0.00 0.00 39.64 39.71 2wb1 n ILE 106 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2wb1 n SER 107 N 0.00 2.01 0.00 4.38 7.64 -1.26 -4.06 113.62 122.33 2wb1 n SER 107 Ca 0.00 -1.67 0.04 0.00 1.01 0.00 0.00 58.87 58.25 2wb1 n SER 107 Cb 0.00 -0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.44 2wb1 n SER 107 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wb1 n GLU 108 N 0.57 0.30 0.13 1.43 1.02 -1.26 -2.78 120.64 120.05 2wb1 n GLU 108 Ca 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 2wb1 n GLU 108 Cb 0.44 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 2wb1 n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2wb1 h ASP 109 N 0.00 -0.24 -0.79 1.62 5.19 -1.90 -2.19 116.42 118.11 2wb1 h ASP 109 Ca 0.00 0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.58 2wb1 h ASP 109 Cb 0.00 0.07 -0.10 0.00 0.18 0.00 0.00 39.33 39.48 2wb1 h ASP 109 CO 0.00 -0.16 0.33 -0.33 -3.12 0.00 0.00 179.24 175.96 2wb1 h GLU 110 N -0.25 0.45 0.00 3.56 5.08 -1.88 -0.03 114.58 121.51 2wb1 h GLU 110 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2wb1 h GLU 110 Cb 0.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2wb1 h GLU 110 CO 0.02 0.30 0.00 0.82 -1.00 0.00 0.00 179.01 179.15 2wb1 h ILE 111 N 0.46 0.00 -1.89 3.13 1.08 -1.69 -2.88 117.51 115.73 2wb1 h ILE 111 Ca 0.44 -0.32 -0.52 0.00 -0.39 0.00 0.00 64.86 64.07 2wb1 h ILE 111 Cb 0.69 1.21 -0.41 0.00 -3.07 0.00 0.00 36.82 35.24 2wb1 h ILE 111 CO -0.42 0.00 -0.90 -0.62 -0.69 0.00 0.00 178.15 175.52 2wb1 n GLU 112 N -2.81 2.29 0.00 2.37 1.02 -0.10 -4.65 120.64 118.77 2wb1 n GLU 112 Ca 0.00 -4.13 0.00 0.00 -0.02 0.00 0.00 57.16 53.02 2wb1 n GLU 112 Cb 0.23 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2wb1 n GLU 112 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wb1 n LYS 113 N -0.10 4.09 0.10 3.49 5.02 -0.75 -4.70 118.16 125.30 2wb1 n LYS 113 Ca 0.27 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.40 2wb1 n LYS 113 Cb 0.58 -0.48 -0.14 0.00 -0.02 0.00 0.00 35.03 34.97 2wb1 n LYS 113 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2wb1 h TYR 114 N 0.00 0.49 -0.14 2.13 0.05 -1.83 0.27 116.97 117.95 2wb1 h TYR 114 Ca 0.00 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.42 2wb1 h TYR 114 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2wb1 h TYR 114 CO 0.00 1.31 0.00 -1.13 -1.05 0.00 0.00 178.16 177.29 2wb1 n SER 115 N -3.52 0.76 -0.02 3.88 3.41 -1.26 -2.13 113.62 114.74 2wb1 n SER 115 Ca -0.10 -1.97 -0.05 0.00 -0.26 0.00 0.00 58.87 56.49 2wb1 n SER 115 Cb 1.03 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 2wb1 n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wb1 n ARG 116 N -0.10 0.10 0.19 4.33 0.63 -1.10 -4.55 116.66 116.16 2wb1 n ARG 116 Ca 0.05 0.04 -0.10 0.00 -0.92 0.00 0.00 57.85 56.93 2wb1 n ARG 116 Cb 0.12 -0.70 -0.05 0.00 0.45 0.00 0.00 32.46 32.28 2wb1 n ARG 116 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2wb1 h ILE 117 N -0.16 0.21 -2.53 5.15 1.08 -0.61 -3.39 117.51 117.26 2wb1 h ILE 117 Ca -0.12 -0.64 -0.77 0.00 -0.39 0.00 0.00 64.86 62.94 2wb1 h ILE 117 Cb 1.11 0.33 -0.22 0.00 -3.07 0.00 0.00 36.82 34.97 2wb1 h ILE 117 CO -0.07 0.05 1.14 -1.22 -0.69 0.00 0.00 178.15 177.36 2wb1 n TYR 118 N -5.15 4.08 -2.72 1.37 4.01 -0.91 -4.68 117.16 113.17 2wb1 n TYR 118 Ca -0.08 -3.23 -0.08 0.00 -0.16 0.00 0.00 57.90 54.34 2wb1 n TYR 118 Cb 0.25 -1.82 0.10 0.00 -0.31 0.00 0.00 39.34 37.56 2wb1 n TYR 118 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wb1 n ASN 119 N 3.58 -2.20 0.05 7.72 3.02 -1.26 -4.50 115.26 121.66 2wb1 n ASN 119 Ca 0.32 -3.36 -0.03 0.00 -0.03 0.00 0.00 54.58 51.48 2wb1 n ASN 119 Cb 0.38 1.67 -0.08 0.00 -0.61 0.00 0.00 39.78 41.14 2wb1 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wb1 h ALA 120 N 2.72 0.63 -1.11 5.41 0.00 -1.93 -3.41 119.26 121.58 2wb1 h ALA 120 Ca -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2wb1 h ALA 120 Cb 1.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2wb1 h ALA 120 CO 0.08 1.07 0.00 -0.89 0.00 0.00 0.00 179.25 179.51 2wb1 n ILE 121 N -3.08 0.00 -2.68 0.00 2.08 -1.26 -4.66 119.36 109.76 2wb1 n ILE 121 Ca -0.07 1.09 -0.40 0.00 0.56 0.00 0.00 62.75 63.93 2wb1 n ILE 121 Cb 0.88 -2.01 -0.05 0.00 -0.75 0.00 0.00 39.64 37.71 2wb1 n ILE 121 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2wb1 s LYS 122 N -1.90 4.79 0.00 0.38 3.01 -1.26 -4.92 119.74 119.84 2wb1 s LYS 122 Ca 0.00 1.56 0.00 0.00 -1.01 0.00 0.00 55.97 56.52 2wb1 s LYS 122 Cb 0.00 -3.27 0.00 0.00 -1.01 0.00 0.00 37.83 33.55 2wb1 s LYS 122 CO 0.00 0.41 0.00 1.63 0.51 0.00 0.00 175.35 177.90 2wb1 n LYS 123 N 1.59 2.23 -0.03 1.68 5.02 -1.26 -4.74 118.16 122.65 2wb1 n LYS 123 Ca -0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 2wb1 n LYS 123 Cb 0.47 -0.21 -0.09 0.00 -0.02 0.00 0.00 35.03 35.18 2wb1 n LYS 123 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2wb1 h ARG 124 N 0.00 0.33 -0.12 1.97 2.43 -1.97 -3.35 114.38 113.67 2wb1 h ARG 124 Ca 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2wb1 h ARG 124 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2wb1 h ARG 124 CO 0.00 0.90 0.00 0.91 -1.51 0.00 0.00 179.97 180.27 2wb1 n TRP 125 N -4.44 0.16 0.08 2.20 8.01 -1.26 -4.24 117.44 117.95 2wb1 n TRP 125 Ca -0.08 -0.26 -0.10 0.00 -1.31 0.00 0.00 57.50 55.75 2wb1 n TRP 125 Cb 0.49 -0.02 -0.05 0.00 -2.01 0.00 0.00 31.31 29.72 2wb1 n TRP 125 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2wb1 h PRO 126 N 1.35 0.18 0.00 -0.99 0.13 -1.85 -3.10 132.00 127.71 2wb1 h PRO 126 Ca 0.00 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2wb1 h PRO 126 Cb 0.48 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 2wb1 h PRO 126 CO 0.00 1.01 -0.01 0.66 -0.23 0.00 0.00 178.00 179.44 2wb1 h SER 127 N 0.08 0.00 -0.15 1.44 4.64 -1.74 -0.04 113.55 117.78 2wb1 h SER 127 Ca -0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 2wb1 h SER 127 Cb 1.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2wb1 h SER 127 CO 0.15 0.01 -0.16 0.00 -0.87 0.00 0.00 176.83 175.95 2wb1 h ALA 128 N 1.99 0.23 0.00 5.18 0.00 -1.72 -2.74 119.26 122.20 2wb1 h ALA 128 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2wb1 h ALA 128 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wb1 h ALA 128 CO 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 179.25 179.17 2wb1 h ALA 129 N 0.61 1.51 0.00 0.00 0.00 -1.13 0.72 119.26 120.97 2wb1 h ALA 129 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2wb1 h ALA 129 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wb1 h ALA 129 CO 0.04 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.08 2wb1 n ARG 130 N -4.07 0.35 -0.04 0.00 1.74 -0.16 -2.31 116.66 112.17 2wb1 n ARG 130 Ca -0.02 0.08 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 2wb1 n ARG 130 Cb 0.28 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 2wb1 n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wb1 n ARG 131 N -1.22 0.21 0.33 5.56 1.74 0.71 -4.35 116.66 119.65 2wb1 n ARG 131 Ca 0.10 0.06 0.19 0.00 -0.77 0.00 0.00 57.85 57.43 2wb1 n ARG 131 Cb 0.13 -1.10 1.02 0.00 -1.02 0.00 0.00 32.46 31.49 2wb1 n ARG 131 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wb1 h LEU 132 N -0.07 0.00 0.09 0.55 4.07 0.29 0.14 115.31 120.38 2wb1 h LEU 132 Ca -0.20 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 2wb1 h LEU 132 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 2wb1 h LEU 132 CO -0.05 0.00 -0.04 0.71 -1.08 0.00 0.00 178.44 177.97 2wb1 h THR 133 N 0.00 0.97 -0.85 0.22 1.35 -1.70 -3.37 112.91 109.52 2wb1 h THR 133 Ca 0.00 -1.40 0.24 0.00 -0.55 0.00 0.00 66.41 64.70 2wb1 h THR 133 Cb 0.30 1.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2wb1 h THR 133 CO 0.00 0.28 0.61 -0.33 -0.25 0.00 0.00 175.52 175.83 2wb1 h GLU 134 N -0.90 0.05 -0.04 4.72 5.08 -0.92 -2.36 114.58 120.21 2wb1 h GLU 134 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wb1 h GLU 134 Cb 0.56 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2wb1 h GLU 134 CO 0.02 0.03 0.02 1.88 -1.00 0.00 0.00 179.01 179.96 2wb1 h TYR 135 N 0.05 0.06 -0.05 4.33 0.05 -1.65 -1.89 116.97 117.87 2wb1 h TYR 135 Ca 0.41 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 59.08 2wb1 h TYR 135 Cb 1.57 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.28 2wb1 h TYR 135 CO -0.00 0.16 -0.47 -0.24 -1.05 0.00 0.00 178.16 176.56 2wb1 h VAL 136 N -0.06 1.34 -0.34 -2.88 3.04 -1.63 -2.97 116.25 112.75 2wb1 h VAL 136 Ca 0.01 -1.64 -0.06 0.00 -1.01 0.00 0.00 66.70 64.01 2wb1 h VAL 136 Cb 0.12 1.83 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 2wb1 h VAL 136 CO -0.00 0.48 -0.03 0.11 -1.01 0.00 0.00 177.57 177.12 2wb1 h LYS 137 N 0.10 0.54 -0.01 4.17 1.57 -1.32 -2.31 116.57 119.31 2wb1 h LYS 137 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2wb1 h LYS 137 Cb 0.87 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2wb1 h LYS 137 CO 0.07 0.58 0.00 1.63 -0.57 0.00 0.00 179.45 181.16 2wb1 n LYS 138 N -4.26 1.08 0.00 3.15 5.02 -0.73 -3.46 118.16 118.96 2wb1 n LYS 138 Ca 0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2wb1 n LYS 138 Cb 0.26 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2wb1 n LYS 138 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wb1 n THR 139 N -0.82 0.27 -3.28 -0.18 -1.04 -0.91 -5.06 114.28 103.27 2wb1 n THR 139 Ca 0.22 -0.48 -0.35 0.00 -2.04 0.00 0.00 64.05 61.39 2wb1 n THR 139 Cb 0.13 1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 69.63 2wb1 n THR 139 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wb1 s ALA 140 N -0.27 3.52 -0.03 2.41 0.00 -0.95 -4.98 121.76 121.46 2wb1 s ALA 140 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.95 2wb1 s ALA 140 Cb 0.00 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.57 2wb1 s ALA 140 CO 0.00 0.42 0.92 -0.12 0.00 0.00 0.00 175.76 176.97 2wb1 n MET 141 N 0.64 0.58 0.00 0.00 1.56 -1.26 -4.94 117.12 113.70 2wb1 n MET 141 Ca -0.04 -1.26 0.00 0.00 -0.27 0.00 0.00 57.70 56.13 2wb1 n MET 141 Cb 0.52 -0.76 0.00 0.00 2.15 0.00 0.00 33.22 35.13 2wb1 n MET 141 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2wb1 n LYS 142 N -0.35 0.00 0.00 2.12 5.02 -1.26 -4.02 118.16 119.67 2wb1 n LYS 142 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2wb1 n LYS 142 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2wb1 n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb1 n ALA 143 N -3.00 0.00 0.09 7.82 0.00 -1.26 -3.98 120.51 120.18 2wb1 n ALA 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 143 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 143 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wb1 n GLN 144 N 0.00 0.00 -2.71 0.00 7.27 -1.26 -4.61 117.38 116.07 2wb1 n GLN 144 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2wb1 n GLN 144 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 2wb1 n GLN 144 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2wb1 n VAL 145 N -3.06 0.00 -4.38 1.69 3.14 -1.26 -5.16 118.33 109.29 2wb1 n VAL 145 Ca 0.00 -1.34 -0.34 0.00 -2.96 0.00 0.00 64.34 59.70 2wb1 n VAL 145 Cb 0.00 1.24 -0.10 0.00 -1.06 0.00 0.00 33.84 33.92 2wb1 n VAL 145 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wb1 n PRO 147 N 1.96 4.63 -1.43 0.00 -0.04 -1.26 -4.76 135.00 134.10 2wb1 n PRO 147 Ca -0.17 -4.43 0.19 0.00 -0.04 0.00 0.00 63.50 59.05 2wb1 n PRO 147 Cb 0.53 -2.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.39 2wb1 n PRO 147 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wb1 n HIS 148 N 1.27 -3.65 -4.07 0.54 8.25 -1.26 -5.05 115.22 111.26 2wb1 n HIS 148 Ca 0.34 1.86 -0.10 0.00 -0.26 0.00 0.00 57.72 59.56 2wb1 n HIS 148 Cb 0.31 -3.32 -0.08 0.00 1.12 0.00 0.00 29.99 28.03 2wb1 n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wb1 n GLY 150 N -0.28 1.01 0.00 0.00 0.00 -1.26 -5.14 105.19 99.52 2wb1 n GLY 150 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2wb1 n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wb1 n GLU 151 N 0.00 0.00 -4.55 1.61 -0.58 -1.26 -5.14 120.64 110.72 2wb1 n GLU 151 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 2wb1 n GLU 151 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 2wb1 n GLU 151 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2wb1 s LYS 152 N 1.92 1.88 0.11 3.49 0.00 -1.26 -4.89 119.74 120.99 2wb1 s LYS 152 Ca 0.00 -2.11 -0.14 0.00 0.00 0.00 0.00 55.97 53.72 2wb1 s LYS 152 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 37.83 36.82 2wb1 s LYS 152 CO 0.00 -0.28 0.33 -1.14 0.00 0.00 0.00 175.35 174.26 2wb1 s GLN 153 N -3.81 0.98 0.55 1.78 0.74 -1.26 -5.11 119.66 113.54 2wb1 s GLN 153 Ca 0.27 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.96 2wb1 s GLN 153 Cb 0.06 0.42 0.04 0.00 1.10 0.00 0.00 33.01 34.63 2wb1 s GLN 153 CO 0.13 -0.36 0.34 -0.59 -0.55 0.00 0.00 175.29 174.26 2wb1 s PHE 154 N -3.72 1.55 0.57 1.67 -0.71 -1.26 -5.12 117.98 110.96 2wb1 s PHE 154 Ca 0.03 -0.90 -0.14 0.00 -1.04 0.00 0.00 56.93 54.88 2wb1 s PHE 154 Cb 0.03 -1.84 -0.12 0.00 -1.21 0.00 0.00 43.02 39.88 2wb1 s PHE 154 CO -0.11 -0.40 -0.33 1.63 -1.34 0.00 0.00 175.22 174.67 2wb1 n LYS 155 N -1.71 0.00 0.14 1.99 4.01 -1.26 -5.14 118.16 116.19 2wb1 n LYS 155 Ca -0.06 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.87 2wb1 n LYS 155 Cb 0.65 -0.79 0.23 0.00 -0.51 0.00 0.00 35.03 34.61 2wb1 n LYS 155 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 2wb1 h ILE 156 N -0.35 0.00 0.05 -0.18 3.07 -2.00 -3.54 117.51 114.57 2wb1 h ILE 156 Ca -0.33 -0.74 -0.25 0.00 1.55 0.00 0.00 64.86 65.09 2wb1 h ILE 156 Cb 1.09 1.61 0.01 0.00 -0.27 0.00 0.00 36.82 39.26 2wb1 h ILE 156 CO 0.27 0.00 -1.07 -0.07 -1.05 0.00 0.00 178.15 176.23 2wb1 h LEU 175 N 0.00 0.54 -8.01 0.16 3.38 -2.00 -3.48 115.31 105.90 2wb1 h LEU 175 Ca 0.00 -0.48 -0.67 0.00 0.09 0.00 0.00 57.88 56.82 2wb1 h LEU 175 Cb 0.87 -0.17 -0.35 0.00 0.09 0.00 0.00 40.66 41.10 2wb1 h LEU 175 CO 0.00 1.31 -0.82 -0.89 0.09 0.00 0.00 178.44 178.12 2wb1 s THR 176 N -3.05 2.22 0.29 0.22 2.01 -1.26 -5.02 115.64 111.05 2wb1 s THR 176 Ca -0.06 -1.18 0.07 0.00 0.31 0.00 0.00 61.69 60.84 2wb1 s THR 176 Cb 0.08 -2.09 0.35 0.00 0.01 0.00 0.00 72.50 70.85 2wb1 s THR 176 CO 0.88 0.30 1.38 -2.65 -0.69 0.00 0.00 174.62 173.84 2wb1 n PRO 177 N 4.56 -0.06 0.20 4.92 -0.02 -1.26 -0.30 135.00 143.04 2wb1 n PRO 177 Ca -0.18 1.28 0.15 0.00 -2.02 0.00 0.00 63.50 62.73 2wb1 n PRO 177 Cb 0.47 -2.12 0.64 0.00 -0.02 0.00 0.00 33.50 32.47 2wb1 n PRO 177 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wb1 h SER 178 N 0.00 0.00 0.21 2.55 4.64 -1.94 -2.43 113.55 116.58 2wb1 h SER 178 Ca 0.61 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.73 2wb1 h SER 178 Cb 1.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.45 2wb1 h SER 178 CO -0.78 0.00 -1.98 0.47 -0.87 0.00 0.00 176.83 173.68 2wb1 n ASP 179 N -2.59 0.25 0.20 4.97 8.00 0.59 -4.24 116.55 123.74 2wb1 n ASP 179 Ca 0.01 0.11 0.08 0.00 0.71 0.00 0.00 54.79 55.70 2wb1 n ASP 179 Cb 0.21 1.06 0.28 0.00 -0.02 0.00 0.00 41.12 42.66 2wb1 n ASP 179 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wb1 h ILE 180 N 0.00 0.55 0.00 0.53 2.04 -0.94 -2.44 117.51 117.25 2wb1 h ILE 180 Ca -0.26 -1.44 -0.07 0.00 1.00 0.00 0.00 64.86 64.09 2wb1 h ILE 180 Cb 1.66 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 2wb1 h ILE 180 CO 0.03 0.27 -0.32 -0.09 0.00 0.00 0.00 178.15 178.03 2wb1 h ARG 181 N 0.00 0.00 0.00 2.37 2.43 -1.73 -2.79 114.38 114.66 2wb1 h ARG 181 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wb1 h ARG 181 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2wb1 h ARG 181 CO 0.04 0.32 0.00 0.39 -1.51 0.00 0.00 179.97 179.20 2wb1 n GLU 182 N -3.23 0.85 0.00 0.20 1.02 -0.93 -2.41 120.64 116.14 2wb1 n GLU 182 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2wb1 n GLU 182 Cb 0.61 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2wb1 n GLU 182 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wb1 n ARG 183 N -0.66 5.47 -0.07 3.49 1.74 -1.06 -4.68 116.66 120.89 2wb1 n ARG 183 Ca 0.06 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 2wb1 n ARG 183 Cb 0.03 -0.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 2wb1 n ARG 183 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wb1 n LEU 184 N -0.80 0.46 0.30 0.55 4.77 -1.14 -4.19 117.00 116.95 2wb1 n LEU 184 Ca 0.00 -0.01 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 2wb1 n LEU 184 Cb 0.00 0.19 0.95 0.00 -2.33 0.00 0.00 43.42 42.23 2wb1 n LEU 184 CO 0.00 0.41 1.11 -0.08 -1.33 0.00 0.00 177.39 177.50 2wb1 h GLU 185 N 0.00 0.00 -0.09 3.23 4.81 -1.77 -2.91 114.58 117.85 2wb1 h GLU 185 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2wb1 h GLU 185 Cb 1.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.18 2wb1 h GLU 185 CO 0.01 0.02 0.00 1.63 -0.73 0.00 0.00 179.01 179.94 2wb1 n LYS 186 N -3.66 1.21 -4.76 1.92 5.02 -1.26 -4.69 118.16 111.95 2wb1 n LYS 186 Ca -0.03 -0.33 -0.33 0.00 -2.02 0.00 0.00 58.31 55.60 2wb1 n LYS 186 Cb 0.10 -1.09 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 2wb1 n LYS 186 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wb1 s VAL 187 N -1.88 3.21 0.02 -0.18 -7.23 -1.10 -3.85 120.40 109.39 2wb1 s VAL 187 Ca 0.08 -0.63 -0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2wb1 s VAL 187 Cb 0.04 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2wb1 s VAL 187 CO 0.05 0.55 0.03 -0.81 -0.31 0.00 0.00 175.10 174.61 2wb1 n PRO 188 N 3.02 -0.00 0.10 4.82 -0.04 -1.26 -4.93 135.00 136.71 2wb1 n PRO 188 Ca -0.18 -0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.21 2wb1 n PRO 188 Cb 0.53 -0.03 0.19 0.00 -0.04 0.00 0.00 33.50 34.15 2wb1 n PRO 188 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wb1 h GLU 189 N 0.00 0.20 0.00 0.54 5.08 -1.99 -3.01 114.58 115.40 2wb1 h GLU 189 Ca -0.01 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2wb1 h GLU 189 Cb 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2wb1 h GLU 189 CO 0.01 0.66 -0.20 0.66 -1.00 0.00 0.00 179.01 179.13 2wb1 h SER 190 N 0.16 0.00 0.02 1.42 4.64 -2.01 -3.30 113.55 114.49 2wb1 h SER 190 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wb1 h SER 190 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2wb1 h SER 190 CO 0.08 0.20 -0.01 0.44 -0.87 0.00 0.00 176.83 176.67 2wb1 h ASP 191 N 0.00 -0.02 -0.20 4.97 3.32 -1.89 -3.34 116.42 119.25 2wb1 h ASP 191 Ca -0.00 -0.44 0.06 0.00 0.02 0.00 0.00 57.03 56.67 2wb1 h ASP 191 Cb 0.44 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2wb1 h ASP 191 CO 0.03 0.68 0.22 -0.37 -1.72 0.00 0.00 179.24 178.08 2wb1 h VAL 192 N -0.99 0.48 0.86 -1.35 -1.51 -1.67 -2.60 116.25 109.47 2wb1 h VAL 192 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.43 2wb1 h VAL 192 Cb 0.46 0.82 0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2wb1 h VAL 192 CO 0.00 0.00 -0.44 -0.33 -1.23 0.00 0.00 177.57 175.58 2wb1 h GLU 193 N 0.00 -1.14 -0.31 5.19 5.08 -1.68 -2.14 114.58 119.57 2wb1 h GLU 193 Ca 0.10 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2wb1 h GLU 193 Cb 0.54 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2wb1 h GLU 193 CO -0.00 -0.76 0.24 0.82 -1.00 0.00 0.00 179.01 178.30 2wb1 h ILE 194 N -1.19 0.77 0.00 3.13 2.04 -1.59 0.33 117.51 121.00 2wb1 h ILE 194 Ca -0.12 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2wb1 h ILE 194 Cb 0.92 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 2wb1 h ILE 194 CO 0.18 0.00 -0.45 -0.07 0.00 0.00 0.00 178.15 177.81 2wb1 h LEU 195 N 0.00 0.00 0.00 1.44 3.38 -1.64 -3.40 115.31 115.09 2wb1 h LEU 195 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wb1 h LEU 195 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2wb1 h LEU 195 CO -0.00 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.59 2wb1 n GLY 196 N 0.91 0.58 3.28 0.83 0.00 0.11 -4.65 105.19 106.25 2wb1 n GLY 196 Ca 0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2wb1 n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wb1 s TYR 197 N -0.73 0.38 -0.22 1.61 2.02 -0.82 -5.01 117.35 114.59 2wb1 s TYR 197 Ca 0.00 -0.77 -0.08 0.00 -0.37 0.00 0.00 57.07 55.85 2wb1 s TYR 197 Cb 0.00 -0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 2wb1 s TYR 197 CO 0.00 -0.65 0.10 0.34 -1.57 0.00 0.00 175.55 173.77 2wb1 s ASP 198 N -2.95 5.68 0.21 2.29 -1.08 -1.26 -3.99 116.67 115.57 2wb1 s ASP 198 Ca 0.14 0.03 0.17 0.00 -0.52 0.00 0.00 52.55 52.37 2wb1 s ASP 198 Cb 0.04 -2.00 0.01 0.00 -1.46 0.00 0.00 42.92 39.51 2wb1 s ASP 198 CO -0.03 0.09 1.19 1.55 0.52 0.00 0.00 175.17 178.49 2wb1 h PRO 199 N 7.31 0.00 0.00 4.34 0.13 -1.86 -3.16 132.00 138.76 2wb1 h PRO 199 Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2wb1 h PRO 199 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2wb1 h PRO 199 CO 0.66 0.31 -0.59 1.15 -0.23 0.00 0.00 178.00 179.30 2wb1 h THR 200 N 0.00 0.36 -0.07 1.56 2.02 -1.96 -3.42 112.91 111.41 2wb1 h THR 200 Ca -0.06 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 2wb1 h THR 200 Cb 1.36 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2wb1 h THR 200 CO 0.04 0.12 -0.00 0.74 0.37 0.00 0.00 175.52 176.79 2wb1 h THR 201 N -1.00 1.26 -2.73 3.16 2.02 -1.92 -3.45 112.91 110.26 2wb1 h THR 201 Ca -0.09 -0.81 -0.62 0.00 0.77 0.00 0.00 66.41 65.66 2wb1 h THR 201 Cb 0.67 1.67 -0.15 0.00 -1.74 0.00 0.00 68.15 68.60 2wb1 h THR 201 CO -0.05 0.23 -0.75 -0.94 0.37 0.00 0.00 175.52 174.37 2wb1 s SER 202 N -5.65 3.85 -0.08 4.18 1.04 -1.19 -3.15 113.70 112.69 2wb1 s SER 202 Ca -0.15 -0.81 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 2wb1 s SER 202 Cb 0.04 -0.47 0.03 0.00 0.10 0.00 0.00 66.02 65.72 2wb1 s SER 202 CO 0.69 0.08 0.38 -0.13 0.98 0.00 0.00 173.24 175.24 2wb1 s ARG 203 N -3.09 0.60 0.24 4.02 0.52 -1.26 -4.03 118.95 115.95 2wb1 s ARG 203 Ca 0.26 0.20 -0.06 0.00 -0.52 0.00 0.00 55.73 55.61 2wb1 s ARG 203 Cb -0.07 0.28 0.42 0.00 0.52 0.00 0.00 34.95 36.10 2wb1 s ARG 203 CO 0.14 -0.13 1.69 -1.00 0.02 0.00 0.00 175.30 176.02 2wb1 h PRO 204 N 4.58 0.26 -0.66 3.54 0.13 -1.93 -2.72 132.00 135.21 2wb1 h PRO 204 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2wb1 h PRO 204 Cb 1.18 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2wb1 h PRO 204 CO 0.33 0.17 0.42 0.93 -0.23 0.00 0.00 178.00 179.62 2wb1 h GLU 205 N 0.27 0.87 0.00 0.86 3.07 -1.92 -2.47 114.58 115.26 2wb1 h GLU 205 Ca 0.39 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2wb1 h GLU 205 Cb 0.65 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2wb1 h GLU 205 CO -0.49 0.59 0.00 -1.49 -1.40 0.00 0.00 179.01 176.23 2wb1 h TRP 206 N 0.89 0.00 0.55 4.33 6.55 -1.85 -2.41 115.95 124.01 2wb1 h TRP 206 Ca 0.24 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.06 2wb1 h TRP 206 Cb -0.08 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.21 2wb1 h TRP 206 CO -0.02 0.00 -0.46 0.52 -1.05 0.00 0.00 178.44 177.43 2wb1 h MET 207 N 0.00 -0.95 -6.63 0.49 2.86 -1.35 -3.38 114.93 105.97 2wb1 h MET 207 Ca 0.00 0.07 -0.56 0.00 -2.06 0.00 0.00 59.70 57.14 2wb1 h MET 207 Cb 0.27 0.22 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 2wb1 h MET 207 CO 0.00 -0.64 1.00 0.42 1.06 0.00 0.00 176.91 178.75 2wb1 s ILE 208 N -5.93 4.06 0.21 -1.22 1.01 -0.91 -4.03 121.20 114.39 2wb1 s ILE 208 Ca -0.18 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 2wb1 s ILE 208 Cb 0.04 -4.44 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 2wb1 s ILE 208 CO 0.61 -0.92 1.17 -0.76 0.00 0.00 0.00 174.94 175.04 2wb1 s LEU 209 N 4.93 4.47 -0.17 2.97 1.43 -0.58 -4.84 118.68 126.90 2wb1 s LEU 209 Ca 0.54 2.24 0.14 0.00 -1.03 0.00 0.00 54.13 56.01 2wb1 s LEU 209 Cb -0.10 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.31 2wb1 s LEU 209 CO 0.32 -0.31 0.04 0.41 0.23 0.00 0.00 176.35 177.04 2wb1 n THR 210 N 2.18 1.15 -4.64 5.49 -1.04 -1.26 -2.48 114.28 113.68 2wb1 n THR 210 Ca 0.03 -0.69 -0.28 0.00 -2.04 0.00 0.00 64.05 61.06 2wb1 n THR 210 Cb 0.45 -0.59 -0.17 0.00 -1.82 0.00 0.00 70.33 68.20 2wb1 n THR 210 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wb1 s VAL 211 N -2.40 1.52 -0.20 12.58 1.01 -1.26 -0.04 120.40 131.60 2wb1 s VAL 211 Ca -0.09 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2wb1 s VAL 211 Cb 0.05 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2wb1 s VAL 211 CO 0.67 0.44 -0.00 -0.22 0.00 0.00 0.00 175.10 175.99 2wb1 s LEU 212 N 0.78 3.26 -0.08 3.92 0.20 -0.55 -4.92 118.68 121.29 2wb1 s LEU 212 Ca -0.11 -0.20 -0.21 0.00 0.69 0.00 0.00 54.13 54.30 2wb1 s LEU 212 Cb -0.16 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 2wb1 s LEU 212 CO 0.02 0.07 0.60 -2.16 -0.29 0.00 0.00 176.35 174.59 2wb1 s PRO 213 N 0.98 4.39 -0.10 0.98 0.04 -1.26 -1.81 135.00 138.21 2wb1 s PRO 213 Ca 0.02 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 2wb1 s PRO 213 Cb -0.14 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 2wb1 s PRO 213 CO 0.02 0.13 1.17 0.08 0.04 0.00 0.00 177.00 178.44 2wb1 s VAL 214 N 0.63 4.38 0.69 -0.36 1.01 0.38 -4.92 120.40 122.20 2wb1 s VAL 214 Ca 0.32 1.69 -0.15 0.00 0.00 0.00 0.00 61.98 63.84 2wb1 s VAL 214 Cb -0.17 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.14 2wb1 s VAL 214 CO 0.15 -0.05 1.15 -2.16 0.00 0.00 0.00 175.10 174.19 2wb1 s PRO 215 N 2.56 2.53 0.56 2.72 0.04 -1.26 -0.27 135.00 141.88 2wb1 s PRO 215 Ca 0.53 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 2wb1 s PRO 215 Cb -0.22 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2wb1 s PRO 215 CO 0.18 -1.49 1.18 -2.30 0.04 0.00 0.00 177.00 174.61 2wb1 n PRO 216 N -2.51 1.31 0.19 0.56 -0.02 -1.24 -4.61 135.00 128.68 2wb1 n PRO 216 Ca 0.12 0.49 0.18 0.00 -2.02 0.00 0.00 63.50 62.27 2wb1 n PRO 216 Cb 0.51 -2.37 0.79 0.00 -0.02 0.00 0.00 33.50 32.42 2wb1 n PRO 216 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2wb1 h ILE 217 N 1.01 0.28 0.00 4.25 2.10 -1.80 -1.36 117.51 121.99 2wb1 h ILE 217 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.45 2wb1 h ILE 217 Cb 1.33 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2wb1 h ILE 217 CO 0.54 0.00 0.00 0.41 -1.08 0.00 0.00 178.15 178.02 2wb1 n THR 218 N -3.49 1.09 0.43 2.19 -1.04 -1.26 -1.92 114.28 110.27 2wb1 n THR 218 Ca 0.03 0.27 0.09 0.00 -2.04 0.00 0.00 64.05 62.40 2wb1 n THR 218 Cb 0.48 -1.05 -0.12 0.00 -1.82 0.00 0.00 70.33 67.82 2wb1 n THR 218 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wb1 n ILE 219 N -1.52 0.00 -3.41 12.58 5.41 -0.51 -4.63 119.36 127.27 2wb1 n ILE 219 Ca 0.03 -0.25 -0.26 0.00 1.00 0.00 0.00 62.75 63.27 2wb1 n ILE 219 Cb 0.16 0.55 -0.09 0.00 -0.71 0.00 0.00 39.64 39.55 2wb1 n ILE 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wb1 n ARG 220 N -1.77 1.05 -1.21 0.38 3.00 -0.81 -4.97 116.66 112.32 2wb1 n ARG 220 Ca 0.00 -3.68 -0.30 0.00 -0.01 0.00 0.00 57.85 53.86 2wb1 n ARG 220 Cb 0.38 -1.72 0.23 0.00 0.00 0.00 0.00 32.46 31.35 2wb1 n ARG 220 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2wb1 s PRO 221 N -1.07 -0.96 0.35 5.56 0.04 -1.16 -4.83 135.00 132.94 2wb1 s PRO 221 Ca 0.34 -0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.28 2wb1 s PRO 221 Cb 0.09 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.98 2wb1 s PRO 221 CO -0.13 -3.53 0.53 -1.12 0.04 0.00 0.00 177.00 172.79 2wb1 s SER 222 N -4.06 6.05 0.30 6.66 0.01 -1.26 -4.53 113.70 116.87 2wb1 s SER 222 Ca 0.71 0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.95 2wb1 s SER 222 Cb -0.09 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.58 2wb1 s SER 222 CO 0.56 -0.43 0.61 -0.63 0.41 0.00 0.00 173.24 173.76 2wb1 s ILE 223 N -2.28 0.00 -1.23 1.44 1.01 -1.04 -4.87 121.20 114.23 2wb1 s ILE 223 Ca 0.43 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 2wb1 s ILE 223 Cb -0.10 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.10 2wb1 s ILE 223 CO 0.34 0.00 1.67 -0.04 0.00 0.00 0.00 174.94 176.91 2wb1 s MET 224 N -3.51 3.88 -0.48 2.79 -1.94 -1.26 -3.27 119.30 115.51 2wb1 s MET 224 Ca 0.19 -1.78 -0.44 0.00 -1.71 0.00 0.00 55.69 51.95 2wb1 s MET 224 Cb -0.03 -5.49 -0.19 0.00 2.01 0.00 0.00 34.83 31.13 2wb1 s MET 224 CO 0.10 -2.26 1.70 0.00 -0.01 0.00 0.00 175.02 174.55 2wb1 n ALA 231 N 8.56 -0.82 -3.61 3.03 0.00 -1.26 -5.17 120.51 121.23 2wb1 n ALA 231 Ca 0.45 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 54.25 2wb1 n ALA 231 Cb 0.47 -1.89 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 2wb1 n ALA 231 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wb1 s GLU 232 N 3.79 0.50 0.22 0.00 2.56 -1.20 -5.12 118.70 119.44 2wb1 s GLU 232 Ca 1.05 1.29 0.00 0.00 0.00 0.00 0.00 54.97 57.31 2wb1 s GLU 232 Cb -1.44 0.67 -0.00 0.00 2.00 0.00 0.00 34.13 35.36 2wb1 s GLU 232 CO 0.74 -0.25 0.00 -0.25 -0.56 0.00 0.00 175.26 174.93 2wb1 n ASP 233 N 5.43 2.60 0.09 -1.70 9.92 -1.26 -2.50 116.55 129.13 2wb1 n ASP 233 Ca -0.10 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.20 2wb1 n ASP 233 Cb 0.49 0.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 2wb1 n ASP 233 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wb1 n ASP 234 N -1.14 0.06 -0.12 -2.24 2.03 -1.26 -4.84 116.55 109.05 2wb1 n ASP 234 Ca -0.09 0.31 -0.02 0.00 0.52 0.00 0.00 54.79 55.51 2wb1 n ASP 234 Cb 0.28 0.19 0.22 0.00 -0.72 0.00 0.00 41.12 41.09 2wb1 n ASP 234 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2wb1 h LEU 235 N 0.00 0.73 -1.32 -2.67 6.46 -1.93 -0.85 115.31 115.73 2wb1 h LEU 235 Ca 0.00 -0.11 0.15 0.00 -0.12 0.00 0.00 57.88 57.80 2wb1 h LEU 235 Cb 0.00 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.67 2wb1 h LEU 235 CO 0.00 0.70 0.58 0.74 -0.62 0.00 0.00 178.44 179.83 2wb1 h THR 236 N 0.78 0.80 0.55 1.05 2.02 -1.91 -2.81 112.91 113.39 2wb1 h THR 236 Ca 0.18 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2wb1 h THR 236 Cb 0.23 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2wb1 h THR 236 CO -0.01 0.12 -0.26 -0.74 0.37 0.00 0.00 175.52 174.99 2wb1 h HIS 237 N 0.64 -0.69 0.00 3.16 -0.00 -1.47 -1.86 115.15 114.93 2wb1 h HIS 237 Ca 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 2wb1 h HIS 237 Cb 0.80 0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 2wb1 h HIS 237 CO -0.00 -0.36 0.00 0.36 -0.00 0.00 0.00 177.93 177.93 2wb1 n LYS 238 N -5.31 0.00 -0.01 5.26 2.85 -1.18 -1.48 118.16 118.29 2wb1 n LYS 238 Ca -0.11 0.43 -0.16 0.00 -1.05 0.00 0.00 58.31 57.42 2wb1 n LYS 238 Cb 0.33 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.07 2wb1 n LYS 238 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2wb1 n LEU 239 N -1.44 1.88 -0.23 -5.58 0.00 -0.96 -4.18 117.00 106.48 2wb1 n LEU 239 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 56.01 56.24 2wb1 n LEU 239 Cb 0.01 -0.56 0.11 0.00 0.00 0.00 0.00 43.42 42.99 2wb1 n LEU 239 CO 0.01 0.67 1.02 0.58 0.00 0.00 0.00 177.39 179.67 2wb1 h VAL 240 N 0.04 1.25 -0.97 1.96 2.07 -0.44 -2.71 116.25 117.45 2wb1 h VAL 240 Ca -0.38 -0.82 0.17 0.00 0.82 0.00 0.00 66.70 66.49 2wb1 h VAL 240 Cb 2.03 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.15 2wb1 h VAL 240 CO 0.08 0.33 0.61 0.44 0.02 0.00 0.00 177.57 179.04 2wb1 h ASP 241 N 1.03 0.72 0.55 0.57 3.32 -1.69 0.12 116.42 121.04 2wb1 h ASP 241 Ca 0.23 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2wb1 h ASP 241 Cb 0.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2wb1 h ASP 241 CO -0.01 0.31 -0.39 0.40 -1.72 0.00 0.00 179.24 177.83 2wb1 h ILE 242 N 0.74 0.00 -1.00 0.35 2.04 -1.65 -2.89 117.51 115.10 2wb1 h ILE 242 Ca 0.52 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.65 2wb1 h ILE 242 Cb 0.83 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2wb1 h ILE 242 CO -0.28 0.00 0.69 0.58 0.00 0.00 0.00 178.15 179.14 2wb1 h VAL 243 N -0.89 0.53 0.07 1.67 2.07 -0.76 0.53 116.25 119.46 2wb1 h VAL 243 Ca -0.07 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wb1 h VAL 243 Cb 0.73 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2wb1 h VAL 243 CO 0.04 0.03 -0.03 -0.09 0.02 0.00 0.00 177.57 177.54 2wb1 h ARG 244 N 0.14 -0.08 -0.05 1.57 2.43 -1.07 -2.45 114.38 114.87 2wb1 h ARG 244 Ca 0.50 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.49 2wb1 h ARG 244 Cb 1.72 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 2wb1 h ARG 244 CO -0.09 0.36 -0.77 0.82 -1.51 0.00 0.00 179.97 178.78 2wb1 h ILE 245 N -0.56 1.41 0.00 1.20 1.08 -0.87 -0.82 117.51 118.95 2wb1 h ILE 245 Ca -0.01 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 2wb1 h ILE 245 Cb 0.48 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2wb1 h ILE 245 CO 0.01 0.67 0.00 -3.20 -0.69 0.00 0.00 178.15 174.95 2wb1 n ASN 246 N -3.79 0.00 -0.04 1.72 5.15 0.17 -1.53 115.26 116.94 2wb1 n ASN 246 Ca -0.04 -0.81 -0.03 0.00 -0.60 0.00 0.00 54.58 53.10 2wb1 n ASN 246 Cb 0.73 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.91 2wb1 n ASN 246 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2wb1 n GLU 247 N -0.85 2.14 0.10 1.20 4.07 -0.75 -4.09 120.64 122.46 2wb1 n GLU 247 Ca 0.10 -0.02 -0.05 0.00 -0.06 0.00 0.00 57.16 57.13 2wb1 n GLU 247 Cb 0.05 -1.23 0.08 0.00 -0.06 0.00 0.00 31.44 30.28 2wb1 n GLU 247 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wb1 h ARG 248 N 0.00 0.15 -0.09 5.31 3.08 -0.41 -2.18 114.38 120.24 2wb1 h ARG 248 Ca -0.20 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.60 2wb1 h ARG 248 Cb 1.36 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.45 2wb1 h ARG 248 CO 0.01 0.80 -0.43 -0.07 -1.07 0.00 0.00 179.97 179.20 2wb1 h LEU 249 N 0.10 0.53 -1.24 3.04 3.38 -1.53 -2.96 115.31 116.62 2wb1 h LEU 249 Ca -0.02 -0.65 0.16 0.00 0.09 0.00 0.00 57.88 57.46 2wb1 h LEU 249 Cb 1.26 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2wb1 h LEU 249 CO 0.10 1.09 0.59 0.11 0.09 0.00 0.00 178.44 180.43 2wb1 h LYS 250 N 0.00 0.67 0.00 1.13 1.57 -1.69 -2.02 116.57 116.23 2wb1 h LYS 250 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2wb1 h LYS 250 Cb 1.08 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2wb1 h LYS 250 CO 0.09 0.45 -0.45 -1.91 -0.57 0.00 0.00 179.45 177.05 2wb1 n GLU 251 N -4.59 0.10 -0.31 3.15 2.13 -0.82 -3.16 120.64 117.13 2wb1 n GLU 251 Ca 0.19 0.03 0.09 0.00 0.66 0.00 0.00 57.16 58.14 2wb1 n GLU 251 Cb 0.51 -1.57 0.26 0.00 0.27 0.00 0.00 31.44 30.92 2wb1 n GLU 251 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2wb1 n SER 252 N -1.72 3.19 0.07 4.31 3.41 -0.78 -3.66 113.62 118.45 2wb1 n SER 252 Ca 0.05 -2.01 -0.16 0.00 -0.26 0.00 0.00 58.87 56.49 2wb1 n SER 252 Cb 0.37 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 2wb1 n SER 252 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2wb1 h ILE 253 N 3.45 1.23 0.00 -1.33 2.04 -1.47 -3.41 117.51 118.02 2wb1 h ILE 253 Ca 0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 2wb1 h ILE 253 Cb 0.81 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2wb1 h ILE 253 CO 0.01 0.83 -0.54 0.47 0.00 0.00 0.00 178.15 178.91 2wb1 n ASP 254 N -3.45 0.89 -3.98 1.72 9.92 -1.26 -4.86 116.55 115.53 2wb1 n ASP 254 Ca -0.14 -0.55 -0.31 0.00 -0.53 0.00 0.00 54.79 53.26 2wb1 n ASP 254 Cb 1.04 1.07 -0.14 0.00 -0.64 0.00 0.00 41.12 42.44 2wb1 n ASP 254 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wb1 s ALA 255 N -1.87 3.23 0.00 2.24 0.00 -1.24 -5.06 121.76 119.06 2wb1 s ALA 255 Ca 0.02 -3.09 0.00 0.00 0.00 0.00 0.00 51.96 48.89 2wb1 s ALA 255 Cb 0.06 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2wb1 s ALA 255 CO 0.31 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.54 2wb1 n GLY 256 N 3.43 1.25 1.10 0.00 0.00 -1.26 -4.72 105.19 104.99 2wb1 n GLY 256 Ca 0.05 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2wb1 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 n ALA 257 N 8.68 -2.54 -1.00 4.61 0.00 -1.26 -4.89 120.51 124.12 2wb1 n ALA 257 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 257 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 257 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wb1 n PRO 258 N 0.28 -1.59 0.00 0.00 -0.02 -1.26 -4.88 135.00 127.53 2wb1 n PRO 258 Ca 0.00 -0.02 -0.20 0.00 -2.02 0.00 0.00 63.50 61.26 2wb1 n PRO 258 Cb 0.00 -0.02 -0.14 0.00 -0.02 0.00 0.00 33.50 33.32 2wb1 n PRO 258 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wb1 n GLN 259 N -1.82 0.75 -0.07 -0.52 1.13 -1.26 -3.43 117.38 112.15 2wb1 n GLN 259 Ca 0.00 0.26 -0.12 0.00 -1.94 0.00 0.00 57.00 55.20 2wb1 n GLN 259 Cb 0.01 -1.72 -0.00 0.00 0.11 0.00 0.00 30.24 28.64 2wb1 n GLN 259 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wb1 h LEU 260 N 0.07 0.89 0.55 1.08 3.38 -1.98 -3.20 115.31 116.09 2wb1 h LEU 260 Ca -0.41 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 2wb1 h LEU 260 Cb 2.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2wb1 h LEU 260 CO 0.09 1.21 -0.38 0.40 0.09 0.00 0.00 178.44 179.85 2wb1 h ILE 261 N 0.65 0.23 0.00 1.22 2.04 -1.96 0.23 117.51 119.92 2wb1 h ILE 261 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2wb1 h ILE 261 Cb 1.05 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2wb1 h ILE 261 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.25 2wb1 n ILE 262 N -5.51 0.56 -0.05 -0.67 3.06 -1.22 -2.33 119.36 113.19 2wb1 n ILE 262 Ca -0.12 0.14 -0.00 0.00 -2.50 0.00 0.00 62.75 60.27 2wb1 n ILE 262 Cb 0.40 -0.85 -0.15 0.00 0.54 0.00 0.00 39.64 39.58 2wb1 n ILE 262 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2wb1 n GLU 263 N -1.34 0.77 0.18 9.51 1.02 -0.94 -3.68 120.64 126.17 2wb1 n GLU 263 Ca 0.07 -0.09 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 2wb1 n GLU 263 Cb 0.15 -1.48 0.40 0.00 -0.02 0.00 0.00 31.44 30.49 2wb1 n GLU 263 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2wb1 h ASP 264 N 0.00 0.00 0.05 1.62 3.45 -0.15 -2.98 116.42 118.41 2wb1 h ASP 264 Ca -0.27 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 56.84 2wb1 h ASP 264 Cb 1.59 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 40.32 2wb1 h ASP 264 CO 0.01 0.00 -1.93 0.18 -1.57 0.00 0.00 179.24 175.93 2wb1 n LEU 265 N -2.69 2.35 0.31 1.55 4.77 -1.16 -3.93 117.00 118.20 2wb1 n LEU 265 Ca 0.03 0.24 0.19 0.00 -0.03 0.00 0.00 56.01 56.44 2wb1 n LEU 265 Cb 0.40 -1.00 1.05 0.00 -2.33 0.00 0.00 43.42 41.54 2wb1 n LEU 265 CO 0.29 0.65 1.16 -0.25 -1.33 0.00 0.00 177.39 177.91 2wb1 h TRP 266 N -0.43 0.00 -0.00 -1.77 7.01 -1.63 0.23 115.95 119.35 2wb1 h TRP 266 Ca -0.47 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.53 2wb1 h TRP 266 Cb 1.73 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.79 2wb1 h TRP 266 CO 0.05 0.00 -0.39 -0.25 -2.79 0.00 0.00 178.44 175.06 2wb1 n ASP 267 N -3.42 0.85 -0.01 2.65 8.00 -1.13 -3.29 116.55 120.21 2wb1 n ASP 267 Ca -0.02 -0.67 -0.13 0.00 0.71 0.00 0.00 54.79 54.68 2wb1 n ASP 267 Cb 0.13 0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 41.31 2wb1 n ASP 267 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wb1 n LEU 268 N -1.00 1.50 0.14 0.64 4.77 0.79 -3.04 117.00 120.79 2wb1 n LEU 268 Ca 0.09 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.40 2wb1 n LEU 268 Cb 0.35 -0.29 0.16 0.00 -2.33 0.00 0.00 43.42 41.31 2wb1 n LEU 268 CO 0.30 0.56 0.48 -0.07 -1.33 0.00 0.00 177.39 177.33 2wb1 h LEU 269 N 0.03 0.00 0.00 2.23 3.38 -1.62 0.62 115.31 119.95 2wb1 h LEU 269 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2wb1 h LEU 269 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 2wb1 h LEU 269 CO 0.08 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.23 2wb1 n GLN 270 N -3.68 0.01 -0.09 1.13 6.02 -1.21 -1.94 117.38 117.63 2wb1 n GLN 270 Ca -0.01 0.24 -0.17 0.00 -0.01 0.00 0.00 57.00 57.05 2wb1 n GLN 270 Cb 0.64 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.35 2wb1 n GLN 270 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2wb1 n TYR 271 N -1.49 0.00 -0.07 1.08 9.36 -0.85 -4.27 117.16 120.92 2wb1 n TYR 271 Ca 0.04 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.16 2wb1 n TYR 271 Cb 0.17 -0.63 -0.03 0.00 -0.63 0.00 0.00 39.34 38.21 2wb1 n TYR 271 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2wb1 h HIS 272 N -0.78 0.36 -0.47 2.98 3.86 0.20 0.33 115.15 121.63 2wb1 h HIS 272 Ca -0.34 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 58.73 2wb1 h HIS 272 Cb 1.21 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2wb1 h HIS 272 CO -0.17 0.36 -0.17 0.28 0.86 0.00 0.00 177.93 179.09 2wb1 h VAL 273 N 0.26 1.27 -0.13 2.45 2.07 -1.61 0.26 116.25 120.82 2wb1 h VAL 273 Ca 0.08 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 2wb1 h VAL 273 Cb 0.14 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2wb1 h VAL 273 CO -0.01 0.45 -0.08 0.00 0.02 0.00 0.00 177.57 177.95 2wb1 h ALA 274 N 0.87 1.63 -0.01 1.67 0.00 -1.66 -2.96 119.26 118.79 2wb1 h ALA 274 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wb1 h ALA 274 Cb 0.73 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2wb1 h ALA 274 CO 0.06 0.27 -0.01 1.15 0.00 0.00 0.00 179.25 180.72 2wb1 h THR 275 N 0.19 1.40 -1.00 0.00 2.02 0.20 -3.05 112.91 112.67 2wb1 h THR 275 Ca 0.04 -1.20 0.21 0.00 0.77 0.00 0.00 66.41 66.22 2wb1 h THR 275 Cb 0.27 2.20 -0.11 0.00 -1.74 0.00 0.00 68.15 68.76 2wb1 h THR 275 CO 0.01 0.32 0.61 0.22 0.37 0.00 0.00 175.52 177.05 2wb1 h TYR 276 N -0.47 1.06 0.00 3.16 3.20 -0.33 -3.10 116.97 120.48 2wb1 h TYR 276 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wb1 h TYR 276 Cb 0.52 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2wb1 h TYR 276 CO 0.10 0.19 0.00 1.19 -1.64 0.00 0.00 178.16 178.00 2wb1 n PHE 277 N -4.80 0.00 -4.05 -3.82 3.72 -1.16 -2.94 117.46 104.40 2wb1 n PHE 277 Ca 0.24 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.35 2wb1 n PHE 277 Cb 0.62 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 2wb1 n PHE 277 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2wb1 s ASP 278 N -1.25 5.54 -0.15 4.37 2.15 -1.15 0.56 116.67 126.74 2wb1 s ASP 278 Ca 0.00 -0.02 0.15 0.00 0.43 0.00 0.00 52.55 53.11 2wb1 s ASP 278 Cb 0.00 -1.49 0.33 0.00 -0.30 0.00 0.00 42.92 41.46 2wb1 s ASP 278 CO 0.00 0.16 1.21 -3.20 -0.17 0.00 0.00 175.17 173.16 2wb1 n ASN 279 N 0.33 -0.01 0.00 -0.34 4.05 -1.25 -3.69 115.26 114.35 2wb1 n ASN 279 Ca -0.08 -2.06 0.00 0.00 0.45 0.00 0.00 54.58 52.89 2wb1 n ASN 279 Cb 0.52 0.06 0.00 0.00 1.23 0.00 0.00 39.78 41.59 2wb1 n ASN 279 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2wb1 n GLU 280 N -0.41 0.00 -0.25 1.20 2.13 -1.26 -4.83 120.64 117.22 2wb1 n GLU 280 Ca -0.09 0.00 0.19 0.00 0.66 0.00 0.00 57.16 57.92 2wb1 n GLU 280 Cb 0.88 0.00 0.35 0.00 0.27 0.00 0.00 31.44 32.94 2wb1 n GLU 280 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2wb1 n ILE 281 N -1.27 -0.31 -0.98 6.31 5.41 -1.26 -4.46 119.36 122.80 2wb1 n ILE 281 Ca 0.00 1.56 -0.35 0.00 1.00 0.00 0.00 62.75 64.96 2wb1 n ILE 281 Cb 0.00 -2.43 0.06 0.00 -0.71 0.00 0.00 39.64 36.56 2wb1 n ILE 281 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2wb1 n PRO 282 N -4.83 -0.06 -1.64 0.38 -0.02 -1.26 -4.71 135.00 122.87 2wb1 n PRO 282 Ca 0.24 -0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 2wb1 n PRO 282 Cb 0.81 -1.27 -0.09 0.00 -0.02 0.00 0.00 33.50 32.92 2wb1 n PRO 282 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wb1 s GLY 283 N -1.29 -0.86 -0.09 -1.23 0.00 -1.26 -4.58 107.32 98.01 2wb1 s GLY 283 Ca 0.47 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 2wb1 s GLY 283 CO 0.76 4.18 0.10 -0.10 0.00 0.00 0.00 173.10 178.05 2wb1 n LEU 284 N 18.68 -0.35 0.11 0.66 0.00 -1.26 -4.94 117.00 129.89 2wb1 n LEU 284 Ca 0.44 -0.07 -0.13 0.00 0.00 0.00 0.00 56.01 56.26 2wb1 n LEU 284 Cb 0.45 -0.25 -0.08 0.00 0.00 0.00 0.00 43.42 43.54 2wb1 n LEU 284 CO 0.58 0.02 0.53 -0.65 0.00 0.00 0.00 177.39 177.87 2wb1 h PRO 285 N 0.48 -0.29 -0.35 1.96 0.11 -1.88 -3.49 132.00 128.52 2wb1 h PRO 285 Ca -0.10 0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.81 2wb1 h PRO 285 Cb 0.22 0.07 -0.15 0.00 0.11 0.00 0.00 31.00 31.25 2wb1 h PRO 285 CO 0.04 0.07 -0.35 -0.35 -0.21 0.00 0.00 178.00 177.19 2wb1 n PRO 286 N -5.05 2.20 -2.11 1.05 -0.04 -1.26 -5.04 135.00 124.75 2wb1 n PRO 286 Ca -0.09 -3.47 -0.00 0.00 -0.04 0.00 0.00 63.50 59.90 2wb1 n PRO 286 Cb 0.25 -1.88 -0.00 0.00 -0.04 0.00 0.00 33.50 31.84 2wb1 n PRO 286 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2wb1 n SER 287 N -1.02 -2.47 -4.38 3.54 2.88 -1.26 -4.71 113.62 106.21 2wb1 n SER 287 Ca 0.32 1.22 -0.19 0.00 -1.33 0.00 0.00 58.87 58.89 2wb1 n SER 287 Cb 0.88 -2.43 -0.10 0.00 -0.75 0.00 0.00 64.21 61.81 2wb1 n SER 287 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wb1 s LYS 288 N -0.15 1.44 -0.07 -1.46 1.02 -1.26 -3.34 119.74 115.92 2wb1 s LYS 288 Ca -0.00 -1.74 -0.03 0.00 0.02 0.00 0.00 55.97 54.22 2wb1 s LYS 288 Cb 0.00 -0.83 0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2wb1 s LYS 288 CO 0.01 -0.06 0.16 -1.01 -0.92 0.00 0.00 175.35 173.52 2wb1 s HIS 289 N -3.27 -0.18 0.00 3.18 3.76 -1.17 -4.91 115.29 112.70 2wb1 s HIS 289 Ca 0.30 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 2wb1 s HIS 289 Cb 0.05 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2wb1 s HIS 289 CO 0.10 -0.19 0.00 0.54 -0.85 0.00 0.00 174.74 174.35 2wb1 n ARG 290 N 4.34 0.00 0.00 1.40 3.00 -1.26 -3.53 116.66 120.60 2wb1 n ARG 290 Ca -0.24 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.67 2wb1 n ARG 290 Cb 0.52 0.00 0.36 0.00 0.00 0.00 0.00 32.46 33.34 2wb1 n ARG 290 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2wb1 n SER 291 N 0.00 0.00 -2.04 0.55 3.41 -1.26 -4.85 113.62 109.43 2wb1 n SER 291 Ca 0.00 -0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.39 2wb1 n SER 291 Cb 0.00 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2wb1 n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wb1 n GLY 292 N -0.13 0.34 3.51 5.00 0.00 -1.23 -4.98 105.19 107.70 2wb1 n GLY 292 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2wb1 n GLY 292 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wb1 s ARG 293 N -4.38 2.81 0.54 1.61 3.52 -1.26 -4.87 118.95 116.91 2wb1 s ARG 293 Ca 0.00 -0.61 -0.19 0.00 -0.13 0.00 0.00 55.73 54.80 2wb1 s ARG 293 Cb 0.00 -2.54 -0.10 0.00 -1.56 0.00 0.00 34.95 30.75 2wb1 s ARG 293 CO 0.00 0.57 0.49 -2.30 -0.81 0.00 0.00 175.30 173.25 2wb1 n PRO 294 N 2.50 0.51 -3.65 5.12 -0.02 -1.26 -3.02 135.00 135.17 2wb1 n PRO 294 Ca -0.18 0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 2wb1 n PRO 294 Cb 0.53 -1.63 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 2wb1 n PRO 294 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wb1 s LEU 295 N 1.16 4.24 -0.76 2.45 2.01 -1.21 -4.87 118.68 121.70 2wb1 s LEU 295 Ca 0.67 0.57 -0.18 0.00 0.01 0.00 0.00 54.13 55.20 2wb1 s LEU 295 Cb -0.47 -3.31 0.14 0.00 0.01 0.00 0.00 46.19 42.56 2wb1 s LEU 295 CO 0.56 0.01 0.85 -0.13 1.01 0.00 0.00 176.35 178.66 2wb1 s ARG 296 N -2.85 3.36 0.51 1.70 3.00 -1.26 -4.95 118.95 118.46 2wb1 s ARG 296 Ca 0.41 -1.75 -0.05 0.00 0.00 0.00 0.00 55.73 54.34 2wb1 s ARG 296 Cb -0.12 -4.51 0.11 0.00 0.00 0.00 0.00 34.95 30.44 2wb1 s ARG 296 CO 0.26 -1.55 0.70 0.25 0.00 0.00 0.00 175.30 174.95 2wb1 n THR 297 N 5.12 0.00 0.22 0.02 -2.24 -1.26 -4.80 114.28 111.34 2wb1 n THR 297 Ca 0.07 -0.78 0.06 0.00 -2.27 0.00 0.00 64.05 61.13 2wb1 n THR 297 Cb 0.46 -1.38 0.49 0.00 -2.10 0.00 0.00 70.33 67.80 2wb1 n THR 297 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wb1 h LEU 298 N 0.00 0.00 -3.45 3.22 3.38 -1.17 -1.50 115.31 115.80 2wb1 h LEU 298 Ca -0.23 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 2wb1 h LEU 298 Cb 0.73 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 2wb1 h LEU 298 CO 0.20 0.24 0.22 0.00 0.09 0.00 0.00 178.44 179.18 2wb1 n ALA 299 N -2.45 4.30 0.00 1.53 0.00 0.19 -3.99 120.51 120.10 2wb1 n ALA 299 Ca -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.40 2wb1 n ALA 299 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2wb1 n ALA 299 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wb1 n GLN 300 N -0.01 3.88 -0.33 0.00 6.02 -0.90 -4.13 117.38 121.90 2wb1 n GLN 300 Ca 0.35 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 2wb1 n GLN 300 Cb 1.26 -0.64 0.09 0.00 1.02 0.00 0.00 30.24 31.97 2wb1 n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wb1 h ARG 301 N 0.00 1.17 0.00 -1.09 3.08 -1.42 -2.95 114.38 113.17 2wb1 h ARG 301 Ca 0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wb1 h ARG 301 Cb 0.04 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2wb1 h ARG 301 CO 0.00 0.77 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.60 2wb1 h LEU 302 N 1.21 -0.00 -1.85 3.04 3.38 -1.81 -3.33 115.31 115.94 2wb1 h LEU 302 Ca 0.33 -0.95 0.16 0.00 0.09 0.00 0.00 57.88 57.51 2wb1 h LEU 302 Cb -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2wb1 h LEU 302 CO -0.08 0.97 0.43 0.50 0.09 0.00 0.00 178.44 180.36 2wb1 h LYS 303 N -1.00 0.14 -6.85 1.13 3.64 -1.71 -3.40 116.57 108.53 2wb1 h LYS 303 Ca -0.00 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 2wb1 h LYS 303 Cb 0.95 -0.03 0.17 0.00 -0.41 0.00 0.00 32.23 32.91 2wb1 h LYS 303 CO 0.00 0.09 0.02 0.41 -2.27 0.00 0.00 179.45 177.70 2wb1 n GLY 304 N -1.60 -0.59 0.36 5.01 0.00 -1.11 -4.88 105.19 102.37 2wb1 n GLY 304 Ca 0.12 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.94 2wb1 n GLY 304 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 305 N -1.30 1.45 0.00 1.61 5.02 -1.26 -3.17 118.16 120.51 2wb1 n LYS 305 Ca 0.13 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 2wb1 n LYS 305 Cb 0.49 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2wb1 n LYS 305 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wb1 n GLU 306 N 0.00 0.26 -4.61 1.97 1.02 -1.26 -4.50 120.64 113.52 2wb1 n GLU 306 Ca 0.10 -0.47 -0.29 0.00 -0.02 0.00 0.00 57.16 56.48 2wb1 n GLU 306 Cb 0.19 -0.57 -0.17 0.00 -0.02 0.00 0.00 31.44 30.87 2wb1 n GLU 306 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wb1 s GLY 307 N -0.10 1.10 0.00 0.62 0.00 -1.19 -4.21 107.32 103.54 2wb1 s GLY 307 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2wb1 s GLY 307 CO 0.00 0.10 0.00 0.54 0.00 0.00 0.00 173.10 173.74 2wb1 n ARG 308 N 4.04 0.00 -0.26 2.90 5.12 -1.25 -3.75 116.66 123.46 2wb1 n ARG 308 Ca -0.20 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.79 2wb1 n ARG 308 Cb 0.52 0.00 0.19 0.00 -1.16 0.00 0.00 32.46 32.01 2wb1 n ARG 308 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2wb1 h PHE 309 N 0.00 0.26 0.11 -1.55 0.05 -1.86 1.35 116.94 115.29 2wb1 h PHE 309 Ca 0.00 0.04 -0.33 0.00 3.82 0.00 0.00 57.97 61.51 2wb1 h PHE 309 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.94 2wb1 h PHE 309 CO 0.00 -0.11 -1.76 0.00 -0.18 0.00 0.00 178.31 176.26 2wb1 h ARG 310 N 0.25 0.22 0.02 1.51 3.08 -1.79 -1.12 114.38 116.55 2wb1 h ARG 310 Ca 0.43 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 2wb1 h ARG 310 Cb 0.76 0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.96 2wb1 h ARG 310 CO -0.54 1.18 -0.39 0.78 -1.07 0.00 0.00 179.97 179.93 2wb1 h GLY 311 N 0.51 0.27 0.00 0.04 0.00 -1.49 -3.30 103.07 99.10 2wb1 h GLY 311 Ca -0.39 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2wb1 h GLY 311 CO 0.03 0.44 0.00 0.70 0.00 0.00 0.00 176.54 177.71 2wb1 n ASN 312 N -4.39 0.80 0.01 0.19 5.03 0.39 -4.38 115.26 112.91 2wb1 n ASN 312 Ca -0.10 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.29 2wb1 n ASN 312 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 2wb1 n ASN 312 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2wb1 n LEU 313 N -0.03 0.18 0.03 3.41 4.77 0.30 -4.83 117.00 120.83 2wb1 n LEU 313 Ca 0.00 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 2wb1 n LEU 313 Cb 0.08 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2wb1 n LEU 313 CO 0.00 -0.13 0.07 -0.24 -1.33 0.00 0.00 177.39 175.76 2wb1 n SER 314 N -3.07 0.63 -3.63 -1.43 2.88 -0.42 -4.83 113.62 103.74 2wb1 n SER 314 Ca 0.00 -0.13 -0.01 0.00 -1.33 0.00 0.00 58.87 57.40 2wb1 n SER 314 Cb 0.41 0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 64.50 2wb1 n SER 314 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wb1 s GLY 315 N -3.67 -0.72 0.32 0.46 0.00 -1.24 -5.06 107.32 97.40 2wb1 s GLY 315 Ca 0.04 2.35 0.09 0.00 0.00 0.00 0.00 44.72 47.20 2wb1 s GLY 315 CO 0.78 3.08 -0.09 0.54 0.00 0.00 0.00 173.10 177.42 2wb1 s LYS 316 N 2.89 1.73 0.28 2.90 1.02 -1.26 -4.04 119.74 123.25 2wb1 s LYS 316 Ca -0.05 -1.88 -0.29 0.00 0.02 0.00 0.00 55.97 53.76 2wb1 s LYS 316 Cb -0.12 -1.54 -0.09 0.00 -0.52 0.00 0.00 37.83 35.56 2wb1 s LYS 316 CO -0.19 0.12 1.14 1.03 -0.92 0.00 0.00 175.35 176.52 2wb1 s ARG 317 N -3.64 4.59 0.08 1.68 0.52 -1.26 -5.03 118.95 115.88 2wb1 s ARG 317 Ca 0.31 1.86 0.07 0.00 -0.52 0.00 0.00 55.73 57.46 2wb1 s ARG 317 Cb 0.03 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 2wb1 s ARG 317 CO 0.15 0.13 -0.19 0.14 0.02 0.00 0.00 175.30 175.55 2wb1 s VAL 318 N -1.04 1.53 0.89 3.52 -7.23 -1.26 -5.15 120.40 111.66 2wb1 s VAL 318 Ca 0.46 -1.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 2wb1 s VAL 318 Cb -0.33 -1.39 0.22 0.00 0.56 0.00 0.00 36.38 35.45 2wb1 s VAL 318 CO 0.42 -0.03 0.75 0.47 -0.31 0.00 0.00 175.10 176.40 2wb1 n ASP 319 N 1.35 -2.04 -3.77 4.85 9.92 -1.26 -4.40 116.55 121.21 2wb1 n ASP 319 Ca -0.19 -0.92 -0.24 0.00 -0.53 0.00 0.00 54.79 52.91 2wb1 n ASP 319 Cb 0.54 -0.71 0.01 0.00 -0.64 0.00 0.00 41.12 40.32 2wb1 n ASP 319 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2wb1 n PHE 320 N -4.29 -0.87 -4.11 1.24 3.01 -1.26 -4.82 117.46 106.36 2wb1 n PHE 320 Ca 0.11 0.13 -0.09 0.00 1.01 0.00 0.00 57.45 58.61 2wb1 n PHE 320 Cb 0.42 -1.56 -0.10 0.00 -0.01 0.00 0.00 39.48 38.22 2wb1 n PHE 320 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2wb1 s SER 321 N -3.77 0.76 0.01 4.37 1.04 -1.26 -1.67 113.70 113.18 2wb1 s SER 321 Ca 0.21 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 2wb1 s SER 321 Cb -0.12 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.17 2wb1 s SER 321 CO 0.55 -0.50 0.34 -0.55 0.98 0.00 0.00 173.24 174.05 2wb1 s SER 322 N -2.78 -0.20 -0.15 7.02 0.15 0.46 -4.98 113.70 113.23 2wb1 s SER 322 Ca 0.06 0.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 2wb1 s SER 322 Cb 0.04 0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.78 2wb1 s SER 322 CO -0.07 -0.54 0.23 -0.60 1.20 0.00 0.00 173.24 173.46 2wb1 s ARG 323 N -1.90 0.14 0.25 5.44 3.52 -1.26 -0.47 118.95 124.67 2wb1 s ARG 323 Ca -0.09 0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 56.00 2wb1 s ARG 323 Cb -0.03 -0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 32.86 2wb1 s ARG 323 CO 0.01 -0.42 0.29 0.99 -0.81 0.00 0.00 175.30 175.35 2wb1 s THR 324 N 2.37 0.00 0.37 4.11 2.01 -1.22 -4.95 115.64 118.33 2wb1 s THR 324 Ca 0.04 -1.79 -0.27 0.00 0.31 0.00 0.00 61.69 59.98 2wb1 s THR 324 Cb -0.13 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.84 2wb1 s THR 324 CO -0.09 0.00 1.23 -0.69 -0.69 0.00 0.00 174.62 174.38 2wb1 s VAL 325 N -3.87 2.93 -0.13 3.82 1.01 -1.26 -1.67 120.40 121.23 2wb1 s VAL 325 Ca 0.34 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 2wb1 s VAL 325 Cb 0.03 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 2wb1 s VAL 325 CO 0.14 0.14 0.27 0.27 0.00 0.00 0.00 175.10 175.92 2wb1 s ILE 326 N -1.28 5.31 0.26 2.22 -4.36 0.13 -1.98 121.20 121.50 2wb1 s ILE 326 Ca 0.54 0.50 0.12 0.00 -0.26 0.00 0.00 60.65 61.54 2wb1 s ILE 326 Cb -0.35 -3.58 -0.05 0.00 1.25 0.00 0.00 42.46 39.73 2wb1 s ILE 326 CO 0.45 0.48 -0.20 -0.94 0.24 0.00 0.00 174.94 174.97 2wb1 s SER 327 N -0.14 3.59 0.97 4.36 1.04 -0.42 -4.58 113.70 118.51 2wb1 s SER 327 Ca 0.17 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.46 2wb1 s SER 327 Cb -0.13 -0.31 0.19 0.00 0.10 0.00 0.00 66.02 65.86 2wb1 s SER 327 CO 0.05 0.06 1.24 -2.16 0.98 0.00 0.00 173.24 173.41 2wb1 s PRO 328 N -3.34 0.63 -0.30 4.02 0.04 -1.26 -2.70 135.00 132.09 2wb1 s PRO 328 Ca 0.28 -0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.04 2wb1 s PRO 328 Cb -0.06 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.84 2wb1 s PRO 328 CO 0.14 -2.46 0.94 0.34 0.04 0.00 0.00 177.00 176.00 2wb1 s ASP 329 N -4.56 -0.68 0.31 6.66 3.68 -0.86 -4.70 116.67 116.52 2wb1 s ASP 329 Ca 0.70 0.56 0.16 0.00 2.13 0.00 0.00 52.55 56.10 2wb1 s ASP 329 Cb -0.08 1.62 0.38 0.00 -1.45 0.00 0.00 42.92 43.40 2wb1 s ASP 329 CO 0.53 -0.13 1.59 1.55 0.13 0.00 0.00 175.17 178.84 2wb1 h PRO 330 N 7.85 0.00 -7.16 4.34 0.13 -1.98 -3.31 132.00 131.88 2wb1 h PRO 330 Ca -0.16 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.51 2wb1 h PRO 330 Cb 1.15 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.37 2wb1 h PRO 330 CO 0.03 0.51 0.13 -0.80 -0.23 0.00 0.00 178.00 177.63 2wb1 s ASN 331 N -6.52 4.37 0.21 1.44 0.01 -1.26 -4.88 114.94 108.32 2wb1 s ASN 331 Ca 0.01 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 2wb1 s ASN 331 Cb 0.10 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.54 2wb1 s ASN 331 CO 0.73 -1.84 0.00 2.30 -1.51 0.00 0.00 177.10 176.77 2wb1 n ILE 332 N -2.87 -4.64 -1.27 0.60 -5.35 -1.26 -4.85 119.36 99.72 2wb1 n ILE 332 Ca 0.14 1.66 -0.34 0.00 -0.27 0.00 0.00 62.75 63.94 2wb1 n ILE 332 Cb 0.60 -2.73 0.11 0.00 -1.74 0.00 0.00 39.64 35.89 2wb1 n ILE 332 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2wb1 s SER 333 N -1.40 3.88 0.22 7.28 0.15 -1.26 -4.73 113.70 117.83 2wb1 s SER 333 Ca 0.00 2.39 -0.08 0.00 0.70 0.00 0.00 55.95 58.96 2wb1 s SER 333 Cb 0.00 -2.59 0.35 0.00 -1.71 0.00 0.00 66.02 62.07 2wb1 s SER 333 CO 0.00 -2.48 1.72 0.40 1.20 0.00 0.00 173.24 174.08 2wb1 h ILE 334 N -0.58 0.67 -0.01 6.45 2.04 -1.95 0.17 117.51 124.31 2wb1 h ILE 334 Ca -0.47 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2wb1 h ILE 334 Cb 1.30 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2wb1 h ILE 334 CO 0.48 0.07 0.01 0.44 0.00 0.00 0.00 178.15 179.14 2wb1 h ASP 335 N 0.36 0.00 -3.68 1.72 5.19 -1.92 -3.46 116.42 114.63 2wb1 h ASP 335 Ca 0.35 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 56.26 2wb1 h ASP 335 Cb 0.51 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 2wb1 h ASP 335 CO -0.39 0.00 0.07 -1.61 -3.12 0.00 0.00 179.24 174.19 2wb1 s GLU 336 N -4.48 3.93 -0.10 3.56 2.02 0.58 0.12 118.70 124.33 2wb1 s GLU 336 Ca -0.05 0.58 0.03 0.00 0.02 0.00 0.00 54.97 55.54 2wb1 s GLU 336 Cb 0.14 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.93 2wb1 s GLU 336 CO 0.50 0.15 -0.18 0.54 0.02 0.00 0.00 175.26 176.28 2wb1 s VAL 337 N -2.03 1.69 -0.11 2.63 0.11 0.88 -4.57 120.40 119.01 2wb1 s VAL 337 Ca 0.53 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 2wb1 s VAL 337 Cb -0.10 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 2wb1 s VAL 337 CO 0.20 0.48 1.18 -0.83 -3.33 0.00 0.00 175.10 172.80 2wb1 s GLY 338 N 0.69 1.96 -0.11 6.54 0.00 -0.44 -1.72 107.32 114.25 2wb1 s GLY 338 Ca -0.12 0.50 0.03 0.00 0.00 0.00 0.00 44.72 45.13 2wb1 s GLY 338 CO 0.03 2.26 -0.22 0.14 0.00 0.00 0.00 173.10 175.31 2wb1 s VAL 339 N 2.65 2.26 0.67 1.40 1.01 -0.79 -1.26 120.40 126.35 2wb1 s VAL 339 Ca 0.53 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 2wb1 s VAL 339 Cb -0.22 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.28 2wb1 s VAL 339 CO 0.18 0.55 1.19 -2.84 0.00 0.00 0.00 175.10 174.18 2wb1 s PRO 340 N 0.36 2.53 0.08 2.72 0.02 -1.26 -1.25 135.00 138.21 2wb1 s PRO 340 Ca -0.17 1.71 -0.20 0.00 0.02 0.00 0.00 61.00 62.36 2wb1 s PRO 340 Cb -0.17 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 2wb1 s PRO 340 CO 0.08 -1.52 1.59 1.49 -0.33 0.00 0.00 177.00 178.31 2wb1 h GLU 341 N 0.14 0.27 -1.00 5.54 4.81 -1.79 -1.91 114.58 120.64 2wb1 h GLU 341 Ca -0.48 -0.06 0.22 0.00 -0.13 0.00 0.00 59.36 58.90 2wb1 h GLU 341 Cb 1.29 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 2wb1 h GLU 341 CO 0.52 0.38 0.61 0.82 -0.73 0.00 0.00 179.01 180.61 2wb1 h ILE 342 N 0.10 0.63 -0.31 2.32 1.08 -1.92 0.22 117.51 119.63 2wb1 h ILE 342 Ca 0.06 -0.23 -0.14 0.00 -0.39 0.00 0.00 64.86 64.16 2wb1 h ILE 342 Cb 0.22 -0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 33.86 2wb1 h ILE 342 CO -0.00 0.12 -0.34 0.40 -0.69 0.00 0.00 178.15 177.64 2wb1 h ILE 343 N 0.68 1.29 0.00 -0.67 1.08 -1.87 -3.19 117.51 114.84 2wb1 h ILE 343 Ca 0.61 -1.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2wb1 h ILE 343 Cb 1.06 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 2wb1 h ILE 343 CO -0.42 0.49 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 2wb1 h ALA 344 N 0.71 1.00 0.00 1.87 0.00 0.19 -1.06 119.26 121.97 2wb1 h ALA 344 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 2wb1 h ALA 344 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2wb1 h ALA 344 CO 0.08 0.00 -1.68 0.54 0.00 0.00 0.00 179.25 178.19 2wb1 n ARG 345 N -2.42 0.63 -0.07 0.00 1.74 -0.56 -2.81 116.66 113.18 2wb1 n ARG 345 Ca 0.01 0.24 -0.06 0.00 -0.77 0.00 0.00 57.85 57.27 2wb1 n ARG 345 Cb 0.22 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 2wb1 n ARG 345 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wb1 h THR 346 N 0.00 0.40 -2.95 0.55 2.02 -1.38 -3.45 112.91 108.10 2wb1 h THR 346 Ca -0.27 -1.36 -0.53 0.00 0.77 0.00 0.00 66.41 65.02 2wb1 h THR 346 Cb 1.89 0.82 0.02 0.00 -1.74 0.00 0.00 68.15 69.13 2wb1 h THR 346 CO 0.06 0.14 0.77 -0.76 0.37 0.00 0.00 175.52 176.10 2wb1 s LEU 347 N -8.32 4.36 0.05 2.58 1.43 -0.46 -5.02 118.68 113.30 2wb1 s LEU 347 Ca -0.11 2.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 2wb1 s LEU 347 Cb 0.01 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2wb1 s LEU 347 CO 0.25 -0.69 -0.07 0.42 0.23 0.00 0.00 176.35 176.49 2wb1 s THR 348 N 1.40 0.49 -0.00 5.49 -4.23 -1.26 -3.75 115.64 113.77 2wb1 s THR 348 Ca 0.66 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2wb1 s THR 348 Cb -0.37 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 2wb1 s THR 348 CO 0.30 -0.55 -0.03 0.68 -0.54 0.00 0.00 174.62 174.48 2wb1 s VAL 349 N -2.05 3.95 -0.59 2.29 -7.23 -0.11 -4.86 120.40 111.80 2wb1 s VAL 349 Ca -0.05 -0.66 -0.20 0.00 -1.81 0.00 0.00 61.98 59.26 2wb1 s VAL 349 Cb -0.05 -2.74 0.09 0.00 0.56 0.00 0.00 36.38 34.24 2wb1 s VAL 349 CO -0.02 0.39 0.74 -2.16 -0.31 0.00 0.00 175.10 173.75 2wb1 s PRO 350 N -1.48 3.06 -0.26 4.82 0.04 -1.26 -1.54 135.00 138.38 2wb1 s PRO 350 Ca 0.18 -1.20 -0.10 0.00 0.04 0.00 0.00 61.00 59.92 2wb1 s PRO 350 Cb -0.11 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 2wb1 s PRO 350 CO 0.09 -1.56 0.17 -2.00 0.04 0.00 0.00 177.00 173.74 2wb1 s GLU 351 N 2.91 3.95 0.41 4.56 2.12 -0.83 -4.91 118.70 126.91 2wb1 s GLU 351 Ca 0.14 -0.33 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 2wb1 s GLU 351 Cb -0.22 -3.58 -0.11 0.00 0.26 0.00 0.00 34.13 30.48 2wb1 s GLU 351 CO 0.07 -0.11 0.95 1.03 -0.54 0.00 0.00 175.26 176.67 2wb1 s ARG 352 N 1.54 4.30 -0.06 4.30 0.52 -1.26 -1.19 118.95 127.08 2wb1 s ARG 352 Ca 0.07 1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 56.17 2wb1 s ARG 352 Cb -0.15 -2.34 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 2wb1 s ARG 352 CO 0.08 0.03 1.49 0.42 0.02 0.00 0.00 175.30 177.33 2wb1 s ILE 353 N -2.02 3.77 0.00 1.52 1.09 -0.36 -4.92 121.20 120.28 2wb1 s ILE 353 Ca 0.59 1.02 0.08 0.00 -1.10 0.00 0.00 60.65 61.23 2wb1 s ILE 353 Cb -0.12 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.60 2wb1 s ILE 353 CO 0.16 -0.06 -0.23 0.42 -0.10 0.00 0.00 174.94 175.13 2wb1 s THR 354 N 3.39 2.34 -0.20 2.92 -4.23 -1.26 -4.32 115.64 114.29 2wb1 s THR 354 Ca 0.66 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 2wb1 s THR 354 Cb -0.30 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2wb1 s THR 354 CO 0.25 0.49 0.23 -2.65 -0.54 0.00 0.00 174.62 172.40 2wb1 n PRO 355 N 2.11 0.00 0.00 3.99 -0.02 -1.26 -1.45 135.00 138.37 2wb1 n PRO 355 Ca -0.16 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2wb1 n PRO 355 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2wb1 n PRO 355 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2wb1 n TRP 356 N -0.73 0.00 1.30 6.00 2.14 -1.26 -4.71 117.44 120.17 2wb1 n TRP 356 Ca 0.00 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.71 2wb1 n TRP 356 Cb 0.15 0.00 0.70 0.00 -0.81 0.00 0.00 31.31 31.35 2wb1 n TRP 356 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 2wb1 n ASN 357 N -1.71 0.00 -0.15 -0.67 0.23 -0.52 -4.37 115.26 108.06 2wb1 n ASN 357 Ca 0.00 -0.06 -0.04 0.00 -0.53 0.00 0.00 54.58 53.95 2wb1 n ASN 357 Cb 0.29 -0.30 0.03 0.00 -2.08 0.00 0.00 39.78 37.71 2wb1 n ASN 357 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2wb1 h ILE 358 N 0.00 0.45 -0.23 1.53 6.09 -1.80 -1.61 117.51 121.95 2wb1 h ILE 358 Ca 0.00 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 63.40 2wb1 h ILE 358 Cb 0.28 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.01 2wb1 h ILE 358 CO 0.00 0.00 -0.23 -0.08 -3.07 0.00 0.00 178.15 174.77 2wb1 h GLU 359 N -0.05 0.42 -0.71 2.19 4.57 -1.91 -1.42 114.58 117.67 2wb1 h GLU 359 Ca 0.23 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2wb1 h GLU 359 Cb 0.40 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2wb1 h GLU 359 CO -0.52 0.63 0.26 -0.22 -1.18 0.00 0.00 179.01 177.98 2wb1 h LYS 360 N 0.38 1.08 0.00 1.92 3.64 -1.61 -2.86 116.57 119.12 2wb1 h LYS 360 Ca 0.06 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2wb1 h LYS 360 Cb 0.61 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2wb1 h LYS 360 CO 0.04 0.91 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.89 2wb1 h LEU 361 N 1.03 0.00 -0.61 5.20 4.07 -0.95 -3.13 115.31 120.92 2wb1 h LEU 361 Ca 0.23 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.04 2wb1 h LEU 361 Cb 0.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2wb1 h LEU 361 CO -0.01 0.01 -0.69 0.03 -1.08 0.00 0.00 178.44 176.69 2wb1 h ARG 362 N 0.00 0.02 -0.00 1.13 3.08 -1.18 -2.91 114.38 114.51 2wb1 h ARG 362 Ca 0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 2wb1 h ARG 362 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2wb1 h ARG 362 CO 0.00 0.70 -0.78 0.37 -1.07 0.00 0.00 179.97 179.19 2wb1 h GLN 363 N 0.01 0.02 0.14 0.04 5.75 -1.45 -1.61 115.11 118.01 2wb1 h GLN 363 Ca -0.01 -0.02 -0.24 0.00 -0.15 0.00 0.00 58.65 58.23 2wb1 h GLN 363 Cb 1.22 0.01 0.03 0.00 1.07 0.00 0.00 27.48 29.80 2wb1 h GLN 363 CO 0.09 0.79 -1.01 0.74 -2.65 0.00 0.00 178.83 176.79 2wb1 h PHE 364 N 0.01 0.75 0.00 3.99 0.05 -1.62 -3.13 116.94 116.99 2wb1 h PHE 364 Ca -0.01 -0.51 -0.06 0.00 3.82 0.00 0.00 57.97 61.21 2wb1 h PHE 364 Cb 1.38 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 39.27 2wb1 h PHE 364 CO 0.00 1.37 -0.30 -0.24 -0.18 0.00 0.00 178.31 178.97 2wb1 h VAL 365 N -0.08 0.98 0.00 -0.55 3.04 -1.48 -1.34 116.25 116.82 2wb1 h VAL 365 Ca -0.17 -1.13 -0.10 0.00 -1.01 0.00 0.00 66.70 64.30 2wb1 h VAL 365 Cb 1.76 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.67 2wb1 h VAL 365 CO 0.19 0.30 -0.47 -0.29 -1.01 0.00 0.00 177.57 176.29 2wb1 h ILE 366 N 0.00 0.85 -0.27 3.17 -0.00 -1.40 -3.29 117.51 116.57 2wb1 h ILE 366 Ca -0.00 -2.06 -0.17 0.00 -0.00 0.00 0.00 64.86 62.62 2wb1 h ILE 366 Cb 0.63 2.32 -0.00 0.00 -0.00 0.00 0.00 36.82 39.76 2wb1 h ILE 366 CO 0.04 0.46 -0.52 0.78 -0.00 0.00 0.00 178.15 178.92 2wb1 h ASN 367 N 0.00 0.84 -4.38 2.19 2.35 -1.19 -3.45 115.58 111.94 2wb1 h ASN 367 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2wb1 h ASN 367 Cb 1.28 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2wb1 h ASN 367 CO 0.06 1.20 0.00 0.61 -1.65 0.00 0.00 177.43 177.65 2wb1 n GLY 368 N 0.27 -0.73 1.02 2.83 0.00 -1.07 -4.24 105.19 103.27 2wb1 n GLY 368 Ca -0.03 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2wb1 n GLY 368 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wb1 n PRO 369 N -0.63 0.72 0.00 1.61 -0.04 -1.03 -3.50 135.00 132.12 2wb1 n PRO 369 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wb1 n PRO 369 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2wb1 n PRO 369 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wb1 n ASP 370 N 0.67 1.97 -4.76 3.54 10.43 -1.26 -5.00 116.55 122.14 2wb1 n ASP 370 Ca 0.00 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 56.99 2wb1 n ASP 370 Cb 0.36 0.21 -0.06 0.00 1.84 0.00 0.00 41.12 43.46 2wb1 n ASP 370 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2wb1 s LYS 371 N -1.35 4.17 0.04 -1.24 2.36 -1.23 -5.04 119.74 117.45 2wb1 s LYS 371 Ca 0.00 0.29 -0.10 0.00 -2.55 0.00 0.00 55.97 53.61 2wb1 s LYS 371 Cb 0.00 -3.37 -0.03 0.00 -1.05 0.00 0.00 37.83 33.38 2wb1 s LYS 371 CO 0.00 0.34 1.17 2.35 1.55 0.00 0.00 175.35 180.76 2wb1 h TRP 372 N 6.14 -0.53 -0.42 4.03 7.01 -1.94 -3.30 115.95 126.93 2wb1 h TRP 372 Ca -0.44 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.46 2wb1 h TRP 372 Cb 1.19 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 28.47 2wb1 h TRP 372 CO 0.64 -0.15 0.33 -2.14 -2.79 0.00 0.00 178.44 174.33 2wb1 s PRO 373 N -3.81 1.88 0.00 2.65 0.02 -1.26 -4.70 135.00 129.77 2wb1 s PRO 373 Ca -0.04 -0.06 0.00 0.00 0.02 0.00 0.00 61.00 60.92 2wb1 s PRO 373 Cb 0.03 -4.94 0.00 0.00 0.02 0.00 0.00 34.50 29.60 2wb1 s PRO 373 CO 0.19 -4.30 0.00 0.41 -0.33 0.00 0.00 177.00 172.97 2wb1 n GLY 374 N 6.61 2.67 3.18 0.52 0.00 -1.24 -4.39 105.19 112.54 2wb1 n GLY 374 Ca 0.44 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 2wb1 n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 s ALA 375 N -1.12 0.28 -0.24 4.61 0.00 -1.20 -0.37 121.76 123.72 2wb1 s ALA 375 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 2wb1 s ALA 375 Cb 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 23.12 23.59 2wb1 s ALA 375 CO 0.00 -0.49 -0.33 0.09 0.00 0.00 0.00 175.76 175.03 2wb1 n ASN 376 N -0.04 1.81 -0.37 0.00 3.02 -0.50 -2.47 115.26 116.71 2wb1 n ASN 376 Ca -0.11 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2wb1 n ASN 376 Cb 0.62 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2wb1 n ASN 376 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wb1 n TYR 377 N -4.18 0.00 -3.15 3.10 4.01 -1.15 -2.12 117.16 113.67 2wb1 n TYR 377 Ca -0.45 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.35 2wb1 n TYR 377 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.82 2wb1 n TYR 377 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wb1 s VAL 378 N 0.59 -0.14 -0.13 -0.72 0.11 -1.17 -3.57 120.40 115.36 2wb1 s VAL 378 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2wb1 s VAL 378 Cb 0.00 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2wb1 s VAL 378 CO 0.00 0.00 0.92 -0.63 -3.33 0.00 0.00 175.10 172.06 2wb1 s ILE 379 N 2.98 4.84 0.64 7.04 1.01 0.71 -2.60 121.20 135.82 2wb1 s ILE 379 Ca 0.08 1.84 -0.11 0.00 0.00 0.00 0.00 60.65 62.46 2wb1 s ILE 379 Cb -0.06 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2wb1 s ILE 379 CO -0.14 0.03 1.04 -0.13 0.00 0.00 0.00 174.94 175.74 2wb1 s ARG 380 N 2.02 3.36 0.00 2.79 0.52 -0.53 -0.45 118.95 126.66 2wb1 s ARG 380 Ca 0.43 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 2wb1 s ARG 380 Cb -0.17 -2.05 0.01 0.00 0.52 0.00 0.00 34.95 33.25 2wb1 s ARG 380 CO 0.15 -0.76 0.92 -0.35 0.02 0.00 0.00 175.30 175.28 2wb1 n PRO 381 N -2.82 0.00 0.15 3.54 -0.04 -1.23 -0.58 135.00 134.02 2wb1 n PRO 381 Ca 0.07 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2wb1 n PRO 381 Cb 0.54 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.73 2wb1 n PRO 381 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wb1 h ASP 382 N 0.00 0.00 0.00 3.54 5.19 -1.91 -3.47 116.42 119.77 2wb1 h ASP 382 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wb1 h ASP 382 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wb1 h ASP 382 CO 0.00 0.53 0.00 0.61 -3.12 0.00 0.00 179.24 177.26 2wb1 n GLY 383 N 0.04 2.95 3.59 2.75 0.00 0.25 -5.08 105.19 109.69 2wb1 n GLY 383 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2wb1 n GLY 383 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wb1 n ARG 384 N -1.05 0.65 -4.90 1.61 0.63 -1.26 -4.69 116.66 107.65 2wb1 n ARG 384 Ca 0.00 0.27 -0.33 0.00 -0.92 0.00 0.00 57.85 56.87 2wb1 n ARG 384 Cb 0.00 -2.12 -0.13 0.00 0.45 0.00 0.00 32.46 30.65 2wb1 n ARG 384 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2wb1 s ARG 385 N -2.95 2.47 -0.32 -0.14 3.52 -1.26 -1.45 118.95 118.83 2wb1 s ARG 385 Ca 0.74 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 55.63 2wb1 s ARG 385 Cb -0.38 -2.36 0.10 0.00 -1.56 0.00 0.00 34.95 30.75 2wb1 s ARG 385 CO 0.49 0.62 0.07 0.42 -0.81 0.00 0.00 175.30 176.09 2wb1 s ILE 386 N -0.74 1.46 -0.10 4.11 -1.09 -1.07 -5.01 121.20 118.76 2wb1 s ILE 386 Ca 0.12 -1.75 -0.30 0.00 -2.23 0.00 0.00 60.65 56.49 2wb1 s ILE 386 Cb -0.11 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 2wb1 s ILE 386 CO 0.01 -0.61 1.35 -0.62 -1.23 0.00 0.00 174.94 173.83 2wb1 s ASP 387 N 1.33 6.90 0.18 3.58 3.68 -1.26 -3.04 116.67 128.03 2wb1 s ASP 387 Ca 0.09 1.88 0.26 0.00 2.13 0.00 0.00 52.55 56.91 2wb1 s ASP 387 Cb -0.18 -2.54 0.73 0.00 -1.45 0.00 0.00 42.92 39.48 2wb1 s ASP 387 CO -0.17 -0.75 1.69 0.18 0.13 0.00 0.00 175.17 176.24 2wb1 n LEU 388 N 6.24 0.76 0.24 -1.34 4.77 -0.90 -3.72 117.00 123.05 2wb1 n LEU 388 Ca 0.14 0.50 0.16 0.00 -0.03 0.00 0.00 56.01 56.77 2wb1 n LEU 388 Cb 0.44 -0.30 0.84 0.00 -2.33 0.00 0.00 43.42 42.08 2wb1 n LEU 388 CO 0.57 -0.15 0.99 -0.09 -1.33 0.00 0.00 177.39 177.39 2wb1 h ARG 389 N 0.00 0.00 -1.61 3.23 9.65 -1.92 -3.29 114.38 120.44 2wb1 h ARG 389 Ca 0.00 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.59 2wb1 h ARG 389 Cb 0.73 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.04 2wb1 h ARG 389 CO 0.00 0.00 -0.64 1.52 2.80 0.00 0.00 179.97 183.65 2wb1 s TYR 390 N -3.81 -0.67 -0.06 2.20 -0.85 -1.24 -5.11 117.35 107.81 2wb1 s TYR 390 Ca -0.03 -0.79 -0.02 0.00 -0.52 0.00 0.00 57.07 55.70 2wb1 s TYR 390 Cb 0.09 -0.18 0.03 0.00 0.38 0.00 0.00 41.96 42.29 2wb1 s TYR 390 CO 0.28 -1.06 0.06 0.14 -1.52 0.00 0.00 175.55 173.45 2wb1 s VAL 391 N 1.16 -0.09 -0.21 -3.49 -7.23 -1.24 -4.95 120.40 104.36 2wb1 s VAL 391 Ca 0.22 0.32 -0.34 0.00 -1.81 0.00 0.00 61.98 60.38 2wb1 s VAL 391 Cb -0.07 -0.23 -0.11 0.00 0.56 0.00 0.00 36.38 36.53 2wb1 s VAL 391 CO -0.06 0.11 2.03 0.29 -0.31 0.00 0.00 175.10 177.16 2wb1 n LYS 392 N 5.29 1.71 -2.56 4.82 5.02 -1.26 -4.06 118.16 127.12 2wb1 n LYS 392 Ca -0.04 0.56 -0.04 0.00 -2.02 0.00 0.00 58.31 56.77 2wb1 n LYS 392 Cb 0.50 -2.65 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 2wb1 n LYS 392 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wb1 n ASP 393 N 8.46 -2.97 0.13 4.39 2.03 -1.26 -4.87 116.55 122.46 2wb1 n ASP 393 Ca 0.30 1.46 0.13 0.00 0.52 0.00 0.00 54.79 57.20 2wb1 n ASP 393 Cb 0.29 -4.99 0.40 0.00 -0.72 0.00 0.00 41.12 36.10 2wb1 n ASP 393 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2wb1 h ARG 394 N 4.24 0.00 0.00 -0.67 2.43 -1.91 -3.08 114.38 115.39 2wb1 h ARG 394 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2wb1 h ARG 394 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2wb1 h ARG 394 CO 0.01 0.00 0.00 -0.22 -1.51 0.00 0.00 179.97 178.25 2wb1 h LYS 395 N 0.00 0.00 0.04 0.20 3.64 -1.91 -3.27 116.57 115.27 2wb1 h LYS 395 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wb1 h LYS 395 Cb 0.70 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2wb1 h LYS 395 CO 0.00 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.09 2wb1 h GLU 396 N 0.00 -0.06 -0.81 1.90 5.08 -1.87 -3.21 114.58 115.62 2wb1 h GLU 396 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.60 2wb1 h GLU 396 Cb 0.46 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2wb1 h GLU 396 CO 0.00 -0.04 0.63 -0.07 -1.00 0.00 0.00 179.01 178.53 2wb1 h LEU 397 N -0.06 0.00 -1.28 1.33 3.38 -1.79 -1.89 115.31 115.00 2wb1 h LEU 397 Ca -0.01 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 2wb1 h LEU 397 Cb 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 2wb1 h LEU 397 CO 0.01 0.00 0.65 0.00 0.09 0.00 0.00 178.44 179.18 2wb1 h ALA 398 N 1.51 2.11 -0.25 1.53 0.00 -1.63 0.22 119.26 122.75 2wb1 h ALA 398 Ca 0.38 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2wb1 h ALA 398 Cb 1.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2wb1 h ALA 398 CO -0.00 -0.51 0.00 -1.13 0.00 0.00 0.00 179.25 177.60 2wb1 n SER 399 N -4.67 2.73 -0.05 0.00 3.41 -0.71 -4.14 113.62 110.18 2wb1 n SER 399 Ca 0.25 -1.88 -0.08 0.00 -0.26 0.00 0.00 58.87 56.90 2wb1 n SER 399 Cb 0.82 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 2wb1 n SER 399 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wb1 n THR 400 N 1.04 1.41 -1.78 6.66 -1.04 0.75 -4.96 114.28 116.37 2wb1 n THR 400 Ca 0.18 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.05 60.96 2wb1 n THR 400 Cb 0.51 -0.70 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 2wb1 n THR 400 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wb1 s LEU 401 N -5.72 4.40 0.21 -4.42 1.43 -1.02 -5.00 118.68 108.56 2wb1 s LEU 401 Ca -0.07 2.57 -0.06 0.00 -1.03 0.00 0.00 54.13 55.54 2wb1 s LEU 401 Cb 0.07 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 2wb1 s LEU 401 CO 0.83 -1.00 0.27 0.00 0.23 0.00 0.00 176.35 176.67 2wb1 s ALA 402 N 3.93 0.56 0.46 4.21 0.00 -1.26 -5.09 121.76 124.57 2wb1 s ALA 402 Ca 0.83 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 2wb1 s ALA 402 Cb -0.41 1.21 -0.11 0.00 0.00 0.00 0.00 23.12 23.82 2wb1 s ALA 402 CO 0.37 -0.69 0.63 -2.30 0.00 0.00 0.00 175.76 173.78 2wb1 n PRO 403 N -0.30 0.70 0.00 0.00 -0.02 -1.26 -2.15 135.00 131.97 2wb1 n PRO 403 Ca -0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2wb1 n PRO 403 Cb 0.64 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2wb1 n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 404 N 1.66 3.10 3.78 -1.23 0.00 -1.26 -4.99 105.19 106.25 2wb1 n GLY 404 Ca 0.11 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2wb1 n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wb1 s TYR 405 N -0.50 2.92 -0.22 1.61 1.51 -0.91 -3.54 117.35 118.21 2wb1 s TYR 405 Ca 0.00 1.57 -0.00 0.00 -1.01 0.00 0.00 57.07 57.63 2wb1 s TYR 405 Cb 0.00 -3.21 0.06 0.00 -0.11 0.00 0.00 41.96 38.70 2wb1 s TYR 405 CO 0.00 -1.16 -0.02 0.08 -1.11 0.00 0.00 175.55 173.34 2wb1 s VAL 406 N -1.76 1.18 -0.18 0.71 1.01 0.40 -1.22 120.40 120.53 2wb1 s VAL 406 Ca 0.66 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 2wb1 s VAL 406 Cb -0.22 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2wb1 s VAL 406 CO 0.27 -0.16 0.75 -0.69 0.00 0.00 0.00 175.10 175.27 2wb1 s VAL 407 N 1.55 4.94 -0.84 2.92 1.01 -0.34 -0.21 120.40 129.44 2wb1 s VAL 407 Ca -0.04 1.44 -0.22 0.00 0.00 0.00 0.00 61.98 63.17 2wb1 s VAL 407 Cb -0.18 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.22 2wb1 s VAL 407 CO -0.07 0.06 1.18 -1.61 0.00 0.00 0.00 175.10 174.65 2wb1 s GLU 408 N 2.07 3.39 0.01 2.72 2.02 -1.23 -1.97 118.70 125.71 2wb1 s GLU 408 Ca 0.34 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2wb1 s GLU 408 Cb -0.16 -4.71 -0.04 0.00 0.10 0.00 0.00 34.13 29.32 2wb1 s GLU 408 CO 0.11 -1.94 0.02 0.50 0.02 0.00 0.00 175.26 173.97 2wb1 s ARG 409 N 4.08 2.83 1.07 1.61 3.52 -0.59 -1.41 118.95 130.05 2wb1 s ARG 409 Ca 0.33 -0.60 -0.16 0.00 -0.13 0.00 0.00 55.73 55.17 2wb1 s ARG 409 Cb -0.08 -2.70 0.10 0.00 -1.56 0.00 0.00 34.95 30.71 2wb1 s ARG 409 CO -0.00 0.62 0.27 0.72 -0.81 0.00 0.00 175.30 176.10 2wb1 n HIS 410 N 1.28 -1.34 -2.45 5.12 8.25 0.50 -0.93 115.22 125.64 2wb1 n HIS 410 Ca -0.14 0.15 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 2wb1 n HIS 410 Cb 0.53 -1.66 -0.02 0.00 1.12 0.00 0.00 29.99 29.95 2wb1 n HIS 410 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wb1 s LEU 411 N -1.96 3.90 0.32 2.41 1.02 -1.12 -4.58 118.68 118.66 2wb1 s LEU 411 Ca 0.58 1.21 0.08 0.00 0.02 0.00 0.00 54.13 56.01 2wb1 s LEU 411 Cb -0.16 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.47 2wb1 s LEU 411 CO 0.66 -1.04 0.25 0.42 0.02 0.00 0.00 176.35 176.66 2wb1 s THR 412 N 4.24 3.61 -0.36 5.49 -4.23 -1.26 -4.91 115.64 118.21 2wb1 s THR 412 Ca 0.55 -1.43 -0.39 0.00 -1.18 0.00 0.00 61.69 59.23 2wb1 s THR 412 Cb -0.16 -3.18 -0.15 0.00 1.34 0.00 0.00 72.50 70.35 2wb1 s THR 412 CO 0.22 -0.21 2.00 0.47 -0.54 0.00 0.00 174.62 176.56 2wb1 n ASP 413 N -1.30 1.91 0.00 3.99 10.43 -1.26 -2.72 116.55 127.60 2wb1 n ASP 413 Ca -0.03 0.74 0.00 0.00 2.57 0.00 0.00 54.79 58.06 2wb1 n ASP 413 Cb 0.60 -1.13 0.00 0.00 1.84 0.00 0.00 41.12 42.43 2wb1 n ASP 413 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wb1 n GLY 414 N 5.81 1.34 3.77 0.44 0.00 0.86 -4.94 105.19 112.46 2wb1 n GLY 414 Ca 0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2wb1 n GLY 414 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 415 N -1.67 6.32 -0.15 1.61 1.01 -1.10 -4.37 116.67 118.31 2wb1 s ASP 415 Ca 0.00 2.76 -0.24 0.00 0.71 0.00 0.00 52.55 55.78 2wb1 s ASP 415 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2wb1 s ASP 415 CO 0.00 -0.86 0.77 -0.69 0.21 0.00 0.00 175.17 174.60 2wb1 s VAL 416 N -1.21 4.94 -0.03 -1.27 1.01 -1.26 -2.04 120.40 120.54 2wb1 s VAL 416 Ca 0.56 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 64.03 2wb1 s VAL 416 Cb -0.41 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 31.90 2wb1 s VAL 416 CO 0.53 0.09 0.07 -0.69 0.00 0.00 0.00 175.10 175.10 2wb1 s VAL 417 N 1.83 -0.00 -0.13 2.92 1.01 -1.15 -4.62 120.40 120.27 2wb1 s VAL 417 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.08 2wb1 s VAL 417 Cb -0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2wb1 s VAL 417 CO 0.13 0.00 0.87 -0.76 0.00 0.00 0.00 175.10 175.35 2wb1 s LEU 418 N 0.05 4.23 -0.02 3.92 1.02 -0.75 -0.97 118.68 126.16 2wb1 s LEU 418 Ca -0.00 1.31 0.05 0.00 0.02 0.00 0.00 54.13 55.51 2wb1 s LEU 418 Cb -0.01 -3.32 -0.03 0.00 0.02 0.00 0.00 46.19 42.85 2wb1 s LEU 418 CO 0.00 -0.36 -0.17 0.12 0.02 0.00 0.00 176.35 175.96 2wb1 s PHE 419 N 1.84 2.61 -0.25 0.29 5.36 -0.92 -0.93 117.98 125.98 2wb1 s PHE 419 Ca 0.42 -0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 56.09 2wb1 s PHE 419 Cb -0.17 -1.57 0.12 0.00 -0.34 0.00 0.00 43.02 41.05 2wb1 s PHE 419 CO 0.16 0.17 0.51 1.21 -1.46 0.00 0.00 175.22 175.81 2wb1 s ASN 420 N -0.88 -0.63 -0.00 6.13 3.04 0.32 -2.08 114.94 120.83 2wb1 s ASN 420 Ca 0.12 1.15 -0.10 0.00 0.04 0.00 0.00 52.86 54.07 2wb1 s ASN 420 Cb -0.10 1.75 -0.05 0.00 -1.54 0.00 0.00 41.25 41.30 2wb1 s ASN 420 CO 0.01 -0.23 0.31 -0.60 -3.04 0.00 0.00 177.10 173.55 2wb1 s ARG 421 N 2.73 3.69 -0.04 0.43 3.52 -1.23 0.33 118.95 128.39 2wb1 s ARG 421 Ca -0.01 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.77 2wb1 s ARG 421 Cb -0.12 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 2wb1 s ARG 421 CO -0.16 0.67 -0.23 1.14 -0.81 0.00 0.00 175.30 175.91 2wb1 s GLN 422 N -1.45 2.39 0.38 5.12 -2.07 -1.26 -4.19 119.66 118.58 2wb1 s GLN 422 Ca 0.25 -0.87 -0.26 0.00 -1.82 0.00 0.00 55.36 52.66 2wb1 s GLN 422 Cb -0.14 -2.16 -0.09 0.00 -1.09 0.00 0.00 33.01 29.53 2wb1 s GLN 422 CO 0.13 0.49 1.21 -2.14 -1.32 0.00 0.00 175.29 173.66 2wb1 s PRO 423 N -0.43 4.12 -1.12 9.60 0.02 -1.26 -5.06 135.00 140.87 2wb1 s PRO 423 Ca 0.04 1.96 -0.02 0.00 0.02 0.00 0.00 61.00 63.00 2wb1 s PRO 423 Cb -0.12 -2.79 0.26 0.00 0.02 0.00 0.00 34.50 31.87 2wb1 s PRO 423 CO 0.01 -0.29 2.01 0.43 -0.33 0.00 0.00 177.00 178.82 2wb1 n SER 424 N 0.28 7.59 0.21 2.53 7.64 -1.26 -4.82 113.62 125.78 2wb1 n SER 424 Ca 0.03 -3.51 -0.15 0.00 1.01 0.00 0.00 58.87 56.25 2wb1 n SER 424 Cb 0.45 -1.23 -0.08 0.00 -1.01 0.00 0.00 64.21 62.34 2wb1 n SER 424 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wb1 h LEU 425 N 4.65 -0.43-10.20 -3.43 4.07 -1.96 -3.44 115.31 104.57 2wb1 h LEU 425 Ca 0.59 -0.06 -0.49 0.00 0.08 0.00 0.00 57.88 58.00 2wb1 h LEU 425 Cb 0.31 0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.17 2wb1 h LEU 425 CO 1.28 -0.20 -0.16 -2.28 -1.08 0.00 0.00 178.44 175.99 2wb1 s HIS 426 N -5.55 3.50 0.29 1.13 2.46 -1.26 -5.00 115.29 110.85 2wb1 s HIS 426 Ca -0.15 0.46 0.02 0.00 0.47 0.00 0.00 55.06 55.85 2wb1 s HIS 426 Cb 0.03 -1.98 0.45 0.00 -0.13 0.00 0.00 32.58 30.95 2wb1 s HIS 426 CO 0.60 0.11 1.77 0.07 -2.47 0.00 0.00 174.74 174.82 2wb1 h ARG 427 N 0.98 0.57 -0.42 2.88 0.11 -1.97 -2.85 114.38 113.67 2wb1 h ARG 427 Ca -0.49 -0.17 0.10 0.00 0.10 0.00 0.00 59.98 59.52 2wb1 h ARG 427 Cb 1.21 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 2wb1 h ARG 427 CO 0.63 0.68 0.29 0.82 0.10 0.00 0.00 179.97 182.49 2wb1 h ILE 428 N 0.52 0.85 0.00 0.08 1.08 -1.94 -2.53 117.51 115.56 2wb1 h ILE 428 Ca 0.09 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2wb1 h ILE 428 Cb 0.52 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2wb1 h ILE 428 CO 0.03 0.02 0.02 -1.20 -0.69 0.00 0.00 178.15 176.33 2wb1 n SER 429 N -4.44 0.00 -3.73 1.72 7.64 -1.08 -3.96 113.62 109.78 2wb1 n SER 429 Ca 0.07 0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.75 2wb1 n SER 429 Cb 0.41 -0.05 -0.17 0.00 -1.01 0.00 0.00 64.21 63.39 2wb1 n SER 429 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2wb1 s MET 430 N -1.83 0.45 -0.02 1.43 -2.45 -0.95 -3.49 119.30 112.44 2wb1 s MET 430 Ca 0.00 -0.02 -0.04 0.00 -1.25 0.00 0.00 55.69 54.38 2wb1 s MET 430 Cb 0.00 -1.32 0.00 0.00 1.25 0.00 0.00 34.83 34.76 2wb1 s MET 430 CO 0.00 -0.44 0.10 -1.64 1.05 0.00 0.00 175.02 174.08 2wb1 s MET 431 N 1.99 0.24 -0.01 4.11 1.00 -0.88 -4.96 119.30 120.78 2wb1 s MET 431 Ca 0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 55.69 55.33 2wb1 s MET 431 Cb -0.14 0.10 -0.04 0.00 0.00 0.00 0.00 34.83 34.75 2wb1 s MET 431 CO -0.06 -0.04 1.23 0.00 0.00 0.00 0.00 175.02 176.14 2wb1 s ALA 432 N -0.50 3.47 0.53 3.03 0.00 0.20 -2.15 121.76 126.34 2wb1 s ALA 432 Ca -0.06 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.66 2wb1 s ALA 432 Cb -0.04 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.62 2wb1 s ALA 432 CO 0.00 -0.69 0.33 0.72 0.00 0.00 0.00 175.76 176.13 2wb1 n HIS 433 N 4.86 -0.31 -4.55 0.00 8.25 -0.14 -3.19 115.22 120.14 2wb1 n HIS 433 Ca 0.11 -2.30 -0.33 0.00 -0.26 0.00 0.00 57.72 54.93 2wb1 n HIS 433 Cb 0.46 -0.42 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 2wb1 n HIS 433 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wb1 s ARG 434 N -4.14 3.20 -0.15 -0.41 1.81 0.33 -2.93 118.95 116.66 2wb1 s ARG 434 Ca 0.25 -0.76 -0.29 0.00 -1.72 0.00 0.00 55.73 53.21 2wb1 s ARG 434 Cb -0.02 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.86 2wb1 s ARG 434 CO 0.16 0.02 1.21 0.08 -0.68 0.00 0.00 175.30 176.08 2wb1 s VAL 435 N 0.81 4.36 -0.47 3.52 1.01 -0.86 -0.08 120.40 128.68 2wb1 s VAL 435 Ca -0.06 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.61 2wb1 s VAL 435 Cb -0.15 -4.06 0.13 0.00 0.00 0.00 0.00 36.38 32.29 2wb1 s VAL 435 CO -0.00 -0.11 0.22 -0.60 0.00 0.00 0.00 175.10 174.61 2wb1 s ARG 436 N 3.14 1.69 -0.16 2.72 6.06 -0.70 -0.10 118.95 131.62 2wb1 s ARG 436 Ca 0.53 -2.32 -0.29 0.00 -2.50 0.00 0.00 55.73 51.15 2wb1 s ARG 436 Cb -0.21 -3.01 -0.04 0.00 0.06 0.00 0.00 34.95 31.76 2wb1 s ARG 436 CO 0.15 -1.10 1.61 0.08 -2.50 0.00 0.00 175.30 173.54 2wb1 s VAL 437 N 0.09 3.69 0.08 7.11 1.01 -1.26 -1.88 120.40 129.24 2wb1 s VAL 437 Ca 0.16 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 2wb1 s VAL 437 Cb -0.24 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2wb1 s VAL 437 CO -0.02 -0.19 0.16 -1.48 0.00 0.00 0.00 175.10 173.57 2wb1 s LEU 438 N 4.70 1.57 0.90 3.92 2.34 -0.38 -4.93 118.68 126.79 2wb1 s LEU 438 Ca 0.71 -0.68 -0.11 0.00 0.06 0.00 0.00 54.13 54.11 2wb1 s LEU 438 Cb -0.28 0.91 0.12 0.00 -0.56 0.00 0.00 46.19 46.38 2wb1 s LEU 438 CO 0.28 -0.70 1.05 1.17 -1.06 0.00 0.00 176.35 177.10 2wb1 n LYS 439 N 0.03 -0.30 0.00 1.48 4.81 -1.26 -3.87 118.16 119.05 2wb1 n LYS 439 Ca -0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2wb1 n LYS 439 Cb 0.62 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.36 2wb1 n LYS 439 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wb1 n GLY 440 N 0.51 -0.48 1.72 3.14 0.00 -1.26 -4.82 105.19 104.01 2wb1 n GLY 440 Ca 0.12 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.62 2wb1 n GLY 440 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wb1 n LEU 441 N -0.96 5.16 -4.50 0.99 4.77 -1.26 -4.34 117.00 116.86 2wb1 n LEU 441 Ca 0.00 -2.62 -0.26 0.00 -0.03 0.00 0.00 56.01 53.10 2wb1 n LEU 441 Cb 0.00 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.33 2wb1 n LEU 441 CO 0.00 0.61 -0.47 0.42 -1.33 0.00 0.00 177.39 176.62 2wb1 s THR 442 N -2.50 2.72 0.19 -5.08 -4.23 -1.26 -4.67 115.64 100.81 2wb1 s THR 442 Ca 0.49 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 2wb1 s THR 442 Cb 0.37 -2.36 -0.08 0.00 1.34 0.00 0.00 72.50 71.76 2wb1 s THR 442 CO 0.15 -0.21 0.96 -0.36 -0.54 0.00 0.00 174.62 174.62 2wb1 s PHE 443 N -1.96 3.90 -0.19 3.99 2.99 -0.84 -4.15 117.98 121.73 2wb1 s PHE 443 Ca 0.25 1.86 -0.06 0.00 0.00 0.00 0.00 56.93 58.99 2wb1 s PHE 443 Cb -0.07 -3.02 -0.03 0.00 0.00 0.00 0.00 43.02 39.89 2wb1 s PHE 443 CO 0.14 0.31 0.01 1.03 -0.00 0.00 0.00 175.22 176.71 2wb1 s ARG 444 N -0.71 3.73 0.09 0.44 1.81 -0.39 -1.31 118.95 122.62 2wb1 s ARG 444 Ca 0.44 -0.47 0.06 0.00 -1.72 0.00 0.00 55.73 54.04 2wb1 s ARG 444 Cb -0.25 -3.10 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 2wb1 s ARG 444 CO 0.31 0.12 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.83 2wb1 s LEU 445 N 0.73 3.24 -0.05 2.53 2.96 -1.10 -1.32 118.68 125.67 2wb1 s LEU 445 Ca 0.01 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.37 2wb1 s LEU 445 Cb -0.14 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2wb1 s LEU 445 CO 0.02 0.18 0.82 0.21 -1.32 0.00 0.00 176.35 176.26 2wb1 s ASN 446 N -2.23 7.13 0.63 3.68 3.84 -1.26 -2.04 114.94 124.70 2wb1 s ASN 446 Ca 0.23 1.37 0.29 0.00 0.21 0.00 0.00 52.86 54.97 2wb1 s ASN 446 Cb -0.11 -2.48 1.58 0.00 -0.55 0.00 0.00 41.25 39.69 2wb1 s ASN 446 CO 0.16 -0.20 1.93 -0.07 -2.79 0.00 0.00 177.10 176.13 2wb1 h LEU 447 N 6.91 0.00 -0.13 3.21 3.38 -1.93 0.27 115.31 127.02 2wb1 h LEU 447 Ca -0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2wb1 h LEU 447 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2wb1 h LEU 447 CO 0.76 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 179.16 2wb1 h LEU 448 N 0.00 0.00 -3.64 1.67 3.38 -1.92 -3.21 115.31 111.59 2wb1 h LEU 448 Ca 0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 2wb1 h LEU 448 Cb 0.83 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 2wb1 h LEU 448 CO -0.00 0.06 0.20 0.52 0.09 0.00 0.00 178.44 179.31 2wb1 n VAL 449 N -3.12 2.82 0.03 1.22 0.31 0.94 -0.97 118.33 119.57 2wb1 n VAL 449 Ca 0.03 -1.79 -0.19 0.00 -0.01 0.00 0.00 64.34 62.39 2wb1 n VAL 449 Cb 0.53 -0.34 -0.13 0.00 -0.91 0.00 0.00 33.84 32.99 2wb1 n VAL 449 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 h PRO 451 N -0.24 0.43 -0.19 0.00 0.11 -1.80 0.11 132.00 130.43 2wb1 h PRO 451 Ca -0.11 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.00 2wb1 h PRO 451 Cb 1.49 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.45 2wb1 h PRO 451 CO 0.14 0.29 -0.37 -1.35 -0.21 0.00 0.00 178.00 176.49 2wb1 h PRO 452 N 0.45 -0.32 0.00 1.05 0.11 -1.74 -2.10 132.00 129.45 2wb1 h PRO 452 Ca 0.48 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2wb1 h PRO 452 Cb 0.80 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wb1 h PRO 452 CO -0.45 -0.21 0.00 0.66 -0.21 0.00 0.00 178.00 177.78 2wb1 n TYR 453 N -4.50 0.00 -3.71 0.65 4.02 -0.86 -4.46 117.16 108.30 2wb1 n TYR 453 Ca -0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.61 2wb1 n TYR 453 Cb 0.24 -0.41 0.03 0.00 -0.02 0.00 0.00 39.34 39.18 2wb1 n TYR 453 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wb1 n ASN 454 N -1.41 -2.54 -4.74 7.72 5.15 0.33 -4.82 115.26 114.96 2wb1 n ASN 454 Ca 0.06 -0.90 -0.35 0.00 -0.60 0.00 0.00 54.58 52.78 2wb1 n ASN 454 Cb 0.19 -3.76 -0.08 0.00 -0.53 0.00 0.00 39.78 35.59 2wb1 n ASN 454 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wb1 s ALA 455 N -3.65 3.46 0.40 5.20 0.00 -0.95 -5.01 121.76 121.21 2wb1 s ALA 455 Ca 0.17 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2wb1 s ALA 455 Cb -0.05 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 2wb1 s ALA 455 CO 0.84 0.57 0.04 0.16 0.00 0.00 0.00 175.76 177.37 2wb1 s ASP 456 N -0.84 3.29 -0.52 0.00 1.47 -1.26 -4.73 116.67 114.07 2wb1 s ASP 456 Ca 0.13 -1.46 0.03 0.00 1.18 0.00 0.00 52.55 52.44 2wb1 s ASP 456 Cb -0.12 -0.03 0.41 0.00 -0.34 0.00 0.00 42.92 42.85 2wb1 s ASP 456 CO 0.03 -0.63 1.38 0.49 0.68 0.00 0.00 175.17 177.12 2wb1 n PHE 457 N -0.92 3.22 -1.01 2.11 3.01 -1.26 -4.21 117.46 118.40 2wb1 n PHE 457 Ca -0.07 -2.81 0.01 0.00 1.01 0.00 0.00 57.45 55.59 2wb1 n PHE 457 Cb 0.67 -0.44 0.33 0.00 -0.01 0.00 0.00 39.48 40.02 2wb1 n PHE 457 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2wb1 n ASP 458 N -0.55 4.87 0.00 4.37 5.75 -1.26 -4.86 116.55 124.87 2wb1 n ASP 458 Ca 0.44 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 2wb1 n ASP 458 Cb 0.60 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2wb1 n ASP 458 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wb1 n GLY 459 N -0.01 0.73 3.50 6.12 0.00 -1.26 -5.14 105.19 109.12 2wb1 n GLY 459 Ca 0.33 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2wb1 n GLY 459 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 460 N -1.25 4.15 0.08 1.61 1.11 -1.26 -5.03 116.67 116.08 2wb1 s ASP 460 Ca 0.00 -0.18 0.06 0.00 0.18 0.00 0.00 52.55 52.61 2wb1 s ASP 460 Cb 0.00 -0.90 -0.04 0.00 1.07 0.00 0.00 42.92 43.05 2wb1 s ASP 460 CO 0.00 0.34 -0.06 -1.61 1.18 0.00 0.00 175.17 175.02 2wb1 s GLU 461 N -0.84 2.36 0.05 8.23 2.02 -1.26 0.17 118.70 129.43 2wb1 s GLU 461 Ca 0.12 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.24 2wb1 s GLU 461 Cb -0.11 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 2wb1 s GLU 461 CO 0.01 0.54 -0.09 -1.64 0.02 0.00 0.00 175.26 174.10 2wb1 s MET 462 N -2.11 0.59 0.06 1.61 -1.94 -0.67 -4.66 119.30 112.17 2wb1 s MET 462 Ca 0.22 -0.82 -0.20 0.00 -1.71 0.00 0.00 55.69 53.18 2wb1 s MET 462 Cb -0.11 -0.37 -0.06 0.00 2.01 0.00 0.00 34.83 36.30 2wb1 s MET 462 CO 0.14 0.07 0.60 -0.80 -0.01 0.00 0.00 175.02 175.02 2wb1 s ASN 463 N -1.69 7.07 -0.23 3.03 -0.87 0.15 -3.41 114.94 119.00 2wb1 s ASN 463 Ca -0.08 1.27 -0.01 0.00 -1.57 0.00 0.00 52.86 52.48 2wb1 s ASN 463 Cb -0.09 -2.38 0.06 0.00 -0.02 0.00 0.00 41.25 38.82 2wb1 s ASN 463 CO 0.00 0.21 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.51 2wb1 s LEU 464 N -0.80 2.07 -0.01 0.60 1.98 0.38 -0.53 118.68 122.37 2wb1 s LEU 464 Ca 0.31 -1.10 -0.01 0.00 -2.89 0.00 0.00 54.13 50.43 2wb1 s LEU 464 Cb -0.19 -0.95 -0.04 0.00 0.66 0.00 0.00 46.19 45.67 2wb1 s LEU 464 CO 0.19 -0.28 0.10 -1.00 -1.89 0.00 0.00 176.35 173.48 2wb1 s HIS 465 N 1.57 3.36 -0.52 5.38 3.76 -0.11 -0.40 115.29 128.33 2wb1 s HIS 465 Ca -0.03 0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 2wb1 s HIS 465 Cb -0.18 -1.77 0.13 0.00 1.11 0.00 0.00 32.58 31.87 2wb1 s HIS 465 CO -0.08 0.58 0.28 0.08 -0.85 0.00 0.00 174.74 174.75 2wb1 s VAL 466 N -1.21 2.94 0.59 -0.90 1.01 -0.67 -1.81 120.40 120.35 2wb1 s VAL 466 Ca 0.23 -2.98 -0.18 0.00 0.00 0.00 0.00 61.98 59.05 2wb1 s VAL 466 Cb -0.12 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 2wb1 s VAL 466 CO 0.14 -0.79 0.82 -0.81 0.00 0.00 0.00 175.10 174.46 2wb1 n PRO 467 N 3.49 0.76 -0.03 2.72 -0.04 -1.26 -4.88 135.00 135.76 2wb1 n PRO 467 Ca 0.05 0.30 -0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2wb1 n PRO 467 Cb 0.36 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 2wb1 n PRO 467 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wb1 n GLN 468 N -0.71 0.24 -1.56 0.54 1.13 -1.26 -4.81 117.38 110.95 2wb1 n GLN 468 Ca 0.13 0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.91 2wb1 n GLN 468 Cb 0.47 -0.92 0.05 0.00 0.11 0.00 0.00 30.24 29.96 2wb1 n GLN 468 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2wb1 n SER 469 N -3.82 0.20 -0.02 1.08 3.41 -1.26 -4.55 113.62 108.66 2wb1 n SER 469 Ca -0.11 0.77 0.01 0.00 -0.26 0.00 0.00 58.87 59.27 2wb1 n SER 469 Cb 0.35 -1.33 0.32 0.00 -0.26 0.00 0.00 64.21 63.29 2wb1 n SER 469 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wb1 h GLU 470 N 0.33 0.57 -0.01 4.33 4.39 -1.96 -2.63 114.58 119.60 2wb1 h GLU 470 Ca -0.48 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.11 2wb1 h GLU 470 Cb 1.37 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2wb1 h GLU 470 CO 0.49 0.52 -0.06 0.93 -1.16 0.00 0.00 179.01 179.73 2wb1 h GLU 471 N 0.56 0.06 -1.00 2.33 5.08 -2.00 -3.11 114.58 116.50 2wb1 h GLU 471 Ca 0.13 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2wb1 h GLU 471 Cb 0.21 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2wb1 h GLU 471 CO -0.00 0.75 0.66 0.00 -1.00 0.00 0.00 179.01 179.41 2wb1 h ALA 472 N 0.31 1.32 -0.22 3.43 0.00 -1.89 0.55 119.26 122.76 2wb1 h ALA 472 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wb1 h ALA 472 Cb 0.76 -0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2wb1 h ALA 472 CO 0.01 0.60 -0.25 0.82 0.00 0.00 0.00 179.25 180.43 2wb1 h ILE 473 N 1.30 0.38 -0.26 0.00 2.04 -1.55 -2.02 117.51 117.40 2wb1 h ILE 473 Ca 0.38 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 66.06 2wb1 h ILE 473 Cb -0.07 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2wb1 h ILE 473 CO -0.10 0.00 -0.56 0.00 0.00 0.00 0.00 178.15 177.48 2wb1 h ALA 474 N 0.73 0.41 -0.64 1.87 0.00 -1.02 -3.00 119.26 117.63 2wb1 h ALA 474 Ca 0.13 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2wb1 h ALA 474 Cb 0.47 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2wb1 h ALA 474 CO -0.37 0.64 0.39 1.49 0.00 0.00 0.00 179.25 181.39 2wb1 h GLU 475 N 0.60 0.73 0.00 0.00 4.81 0.08 0.02 114.58 120.83 2wb1 h GLU 475 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wb1 h GLU 475 Cb 1.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2wb1 h GLU 475 CO 0.12 0.48 0.00 0.00 -0.73 0.00 0.00 179.01 178.89 2wb1 n ALA 476 N -2.31 1.53 -0.05 2.92 0.00 -0.77 -2.61 120.51 119.23 2wb1 n ALA 476 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 2wb1 n ALA 476 Cb 0.09 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 2wb1 n ALA 476 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wb1 n LYS 477 N -1.41 0.67 0.04 0.00 4.81 -0.04 -3.52 118.16 118.71 2wb1 n LYS 477 Ca 0.03 -0.05 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 2wb1 n LYS 477 Cb 0.10 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.48 2wb1 n LYS 477 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wb1 h GLU 478 N 0.00 0.00 0.00 1.64 3.07 -1.20 -3.39 114.58 114.70 2wb1 h GLU 478 Ca -0.30 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.38 2wb1 h GLU 478 Cb 1.71 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.60 2wb1 h GLU 478 CO 0.02 0.76 -1.61 -0.89 -1.40 0.00 0.00 179.01 175.89 2wb1 n ILE 479 N -3.22 0.60 0.07 3.13 5.41 -1.19 -4.81 119.36 119.36 2wb1 n ILE 479 Ca -0.06 -0.19 0.08 0.00 1.00 0.00 0.00 62.75 63.59 2wb1 n ILE 479 Cb 0.95 -1.31 0.26 0.00 -0.71 0.00 0.00 39.64 38.83 2wb1 n ILE 479 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2wb1 n MET 480 N -3.20 2.70 -2.26 0.38 2.81 -1.23 -4.76 117.12 111.56 2wb1 n MET 480 Ca -0.20 -2.08 -0.42 0.00 -1.81 0.00 0.00 57.70 53.19 2wb1 n MET 480 Cb 0.67 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.56 2wb1 n MET 480 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wb1 s LEU 481 N -1.27 4.38 0.20 4.03 1.43 -1.26 0.58 118.68 126.77 2wb1 s LEU 481 Ca 0.38 2.23 -0.17 0.00 -1.03 0.00 0.00 54.13 55.54 2wb1 s LEU 481 Cb 0.22 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 43.03 2wb1 s LEU 481 CO 0.22 -0.57 1.61 0.58 0.23 0.00 0.00 176.35 178.41 2wb1 h VAL 482 N 4.26 0.27 0.00 -1.59 2.07 -1.86 -0.47 116.25 118.93 2wb1 h VAL 482 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2wb1 h VAL 482 Cb 1.21 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2wb1 h VAL 482 CO 0.83 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.42 2wb1 n HIS 483 N -5.44 0.00 0.05 1.57 1.44 -1.26 -0.49 115.22 111.09 2wb1 n HIS 483 Ca 0.06 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 2wb1 n HIS 483 Cb 0.34 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.44 2wb1 n HIS 483 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2wb1 n LYS 484 N -0.73 3.29 -0.54 -1.40 4.81 -0.19 -4.67 118.16 118.71 2wb1 n LYS 484 Ca 0.03 -0.01 0.08 0.00 -0.87 0.00 0.00 58.31 57.54 2wb1 n LYS 484 Cb 0.01 -0.81 0.29 0.00 0.02 0.00 0.00 35.03 34.53 2wb1 n LYS 484 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wb1 n ASN 485 N -1.30 4.20 -0.11 3.14 3.02 0.36 -4.73 115.26 119.84 2wb1 n ASN 485 Ca 0.00 -3.03 0.26 0.00 -0.03 0.00 0.00 54.58 51.79 2wb1 n ASN 485 Cb 0.04 -0.58 0.72 0.00 -0.61 0.00 0.00 39.78 39.35 2wb1 n ASN 485 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2wb1 h ILE 486 N 2.18 0.47 -3.11 2.41 2.04 -1.82 -3.39 117.51 116.28 2wb1 h ILE 486 Ca 0.01 0.00 -0.62 0.00 1.00 0.00 0.00 64.86 65.25 2wb1 h ILE 486 Cb 1.56 0.55 -0.11 0.00 -0.74 0.00 0.00 36.82 38.08 2wb1 h ILE 486 CO 0.28 0.00 -0.50 0.27 0.00 0.00 0.00 178.15 178.21 2wb1 s ILE 487 N -4.85 5.35 0.18 -0.67 -4.36 -1.26 -0.35 121.20 115.24 2wb1 s ILE 487 Ca -0.05 0.16 -0.30 0.00 -0.26 0.00 0.00 60.65 60.21 2wb1 s ILE 487 Cb 0.19 -3.41 -0.07 0.00 1.25 0.00 0.00 42.46 40.42 2wb1 s ILE 487 CO 0.70 0.49 0.96 -0.89 0.24 0.00 0.00 174.94 176.44 2wb1 s THR 488 N -0.01 4.24 0.11 8.37 2.01 -0.21 -4.88 115.64 125.27 2wb1 s THR 488 Ca 0.09 2.05 0.33 0.00 0.31 0.00 0.00 61.69 64.47 2wb1 s THR 488 Cb -0.11 -4.31 0.34 0.00 0.01 0.00 0.00 72.50 68.43 2wb1 s THR 488 CO -0.00 0.40 1.99 -0.65 -0.69 0.00 0.00 174.62 175.67 2wb1 h PRO 489 N 4.83 0.00 -0.55 4.92 0.11 -1.93 -3.20 132.00 136.18 2wb1 h PRO 489 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2wb1 h PRO 489 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2wb1 h PRO 489 CO 0.70 0.00 0.09 -0.09 -0.21 0.00 0.00 178.00 178.49 2wb1 h ARG 490 N 0.00 0.87 -1.18 1.05 2.43 -1.95 -3.37 114.38 112.23 2wb1 h ARG 490 Ca 0.00 -0.20 0.15 0.00 -0.81 0.00 0.00 59.98 59.11 2wb1 h ARG 490 Cb 0.19 -0.12 -0.22 0.00 -0.42 0.00 0.00 29.97 29.40 2wb1 h ARG 490 CO 0.00 0.81 0.07 1.52 -1.51 0.00 0.00 179.97 180.86 2wb1 s TYR 491 N -5.15 -0.94 -0.83 2.20 1.13 -1.21 -5.01 117.35 107.55 2wb1 s TYR 491 Ca -0.10 1.47 -0.31 0.00 -1.41 0.00 0.00 57.07 56.72 2wb1 s TYR 491 Cb 0.15 0.50 -0.18 0.00 -1.10 0.00 0.00 41.96 41.33 2wb1 s TYR 491 CO 0.81 -0.48 2.58 0.41 -2.51 0.00 0.00 175.55 176.36 2wb1 n GLY 492 N 5.21 -0.28 3.61 5.49 0.00 -1.20 -4.47 105.19 113.54 2wb1 n GLY 492 Ca -0.09 1.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.92 2wb1 n GLY 492 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wb1 s GLY 493 N 9.33 -0.07 -0.08 -0.02 0.00 -1.26 -4.51 107.32 110.70 2wb1 s GLY 493 Ca 1.26 2.47 -0.30 0.00 0.00 0.00 0.00 44.72 48.16 2wb1 s GLY 493 CO 0.46 1.06 1.27 2.56 0.00 0.00 0.00 173.10 178.44 2wb1 s PRO 494 N -1.10 4.29 -0.20 2.90 0.04 -1.26 -1.04 135.00 138.63 2wb1 s PRO 494 Ca 0.05 1.73 0.18 0.00 0.04 0.00 0.00 61.00 62.99 2wb1 s PRO 494 Cb -0.01 -3.65 -0.25 0.00 0.04 0.00 0.00 34.50 30.64 2wb1 s PRO 494 CO -0.04 -0.57 0.07 1.51 0.04 0.00 0.00 177.00 178.01 2wb1 n ILE 495 N 4.91 1.38 -2.80 0.56 3.06 0.53 -1.61 119.36 125.39 2wb1 n ILE 495 Ca 0.12 -0.85 -0.43 0.00 -2.50 0.00 0.00 62.75 59.10 2wb1 n ILE 495 Cb 0.45 -0.48 -0.04 0.00 0.54 0.00 0.00 39.64 40.12 2wb1 n ILE 495 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2wb1 s ILE 496 N -2.48 4.38 0.16 9.51 1.01 -1.16 -4.26 121.20 128.37 2wb1 s ILE 496 Ca -0.10 0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 2wb1 s ILE 496 Cb 0.06 -4.52 0.06 0.00 0.01 0.00 0.00 42.46 38.08 2wb1 s ILE 496 CO 0.82 -1.02 0.75 -0.83 0.00 0.00 0.00 174.94 174.65 2wb1 s GLY 497 N 2.61 -0.38 0.69 6.18 0.00 -0.14 -4.79 107.32 111.48 2wb1 s GLY 497 Ca 0.35 0.30 -0.17 0.00 0.00 0.00 0.00 44.72 45.20 2wb1 s GLY 497 CO 0.23 0.10 1.26 0.00 0.00 0.00 0.00 173.10 174.69 2wb1 s ALA 498 N -3.60 2.25 0.00 3.20 0.00 -1.26 -4.03 121.76 118.31 2wb1 s ALA 498 Ca 0.06 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2wb1 s ALA 498 Cb -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2wb1 s ALA 498 CO -0.04 -1.75 0.00 0.00 0.00 0.00 0.00 175.76 173.97 2wb1 n ALA 499 N -2.26 0.72 0.00 0.00 0.00 -1.26 -3.43 120.51 114.28 2wb1 n ALA 499 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2wb1 n ALA 499 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2wb1 n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 n GLN 500 N -0.24 0.00 0.06 0.00 10.64 -1.26 -3.98 117.38 122.59 2wb1 n GLN 500 Ca 0.00 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.12 2wb1 n GLN 500 Cb 0.00 -0.19 0.14 0.00 -0.86 0.00 0.00 30.24 29.33 2wb1 n GLN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2wb1 h ASP 501 N 0.00 0.38 0.13 2.61 3.45 -1.99 -2.83 116.42 118.18 2wb1 h ASP 501 Ca 0.00 -0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.26 2wb1 h ASP 501 Cb 0.03 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2wb1 h ASP 501 CO 0.00 0.82 -0.06 1.88 -1.57 0.00 0.00 179.24 180.30 2wb1 h TYR 502 N 0.28 -0.17 -0.48 4.55 0.05 -1.91 -1.10 116.97 118.20 2wb1 h TYR 502 Ca 0.01 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 2wb1 h TYR 502 Cb 0.97 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.75 2wb1 h TYR 502 CO 0.03 0.17 -0.02 0.82 -1.05 0.00 0.00 178.16 178.10 2wb1 h ILE 503 N -0.52 1.25 -0.18 -2.88 1.08 -1.80 -1.53 117.51 112.93 2wb1 h ILE 503 Ca -0.02 -1.06 -0.10 0.00 -0.39 0.00 0.00 64.86 63.30 2wb1 h ILE 503 Cb 0.41 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2wb1 h ILE 503 CO 0.03 0.37 -0.27 -1.28 -0.69 0.00 0.00 178.15 176.31 2wb1 h SER 504 N 0.76 0.56 -0.52 1.72 0.87 -1.50 -2.31 113.55 113.12 2wb1 h SER 504 Ca 0.14 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2wb1 h SER 504 Cb 0.49 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2wb1 h SER 504 CO 0.02 0.97 0.25 1.23 -0.53 0.00 0.00 176.83 178.78 2wb1 h GLY 505 N 0.16 0.80 2.00 5.77 0.00 -1.14 -1.42 103.07 109.24 2wb1 h GLY 505 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2wb1 h GLY 505 CO 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 176.54 176.96 2wb1 h ALA 506 N 1.09 1.22 0.20 3.60 0.00 -1.27 -0.30 119.26 123.80 2wb1 h ALA 506 Ca 0.18 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 2wb1 h ALA 506 Cb 0.12 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.93 2wb1 h ALA 506 CO -0.02 0.02 -1.30 -0.92 0.00 0.00 0.00 179.25 177.03 2wb1 h TYR 507 N 0.00 0.76 0.00 0.00 3.20 -0.77 -2.72 116.97 117.44 2wb1 h TYR 507 Ca -0.00 -0.55 -0.01 0.00 3.14 0.00 0.00 58.73 61.31 2wb1 h TYR 507 Cb 0.07 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2wb1 h TYR 507 CO 0.00 1.50 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.92 2wb1 h LEU 508 N -0.08 0.00 0.02 2.82 3.38 -0.37 -3.26 115.31 117.82 2wb1 h LEU 508 Ca -0.24 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.42 2wb1 h LEU 508 Cb 1.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 2wb1 h LEU 508 CO 0.20 0.03 -1.72 -0.11 0.09 0.00 0.00 178.44 176.94 2wb1 n LEU 509 N -3.18 2.03 0.00 1.67 7.94 -0.21 -4.40 117.00 120.84 2wb1 n LEU 509 Ca -0.01 0.35 0.13 0.00 -1.11 0.00 0.00 56.01 55.38 2wb1 n LEU 509 Cb 0.25 -0.95 0.79 0.00 0.53 0.00 0.00 43.42 44.03 2wb1 n LEU 509 CO 0.26 0.45 1.00 0.35 -1.11 0.00 0.00 177.39 178.34 2wb1 n THR 510 N -4.22 0.00 -1.23 1.96 -2.24 -1.02 -3.75 114.28 103.77 2wb1 n THR 510 Ca -0.38 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 2wb1 n THR 510 Cb 0.79 -0.44 0.15 0.00 -2.10 0.00 0.00 70.33 68.73 2wb1 n THR 510 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wb1 s VAL 511 N -2.00 2.48 0.15 2.28 -7.23 -1.23 -4.39 120.40 110.46 2wb1 s VAL 511 Ca 0.40 0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.60 2wb1 s VAL 511 Cb 0.18 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2wb1 s VAL 511 CO 0.31 -0.20 1.59 0.11 -0.31 0.00 0.00 175.10 176.60 2wb1 h LYS 512 N -1.62 0.90 -2.51 4.82 1.57 -1.90 -3.31 116.57 114.52 2wb1 h LYS 512 Ca -0.51 -0.30 -0.63 0.00 -1.87 0.00 0.00 60.65 57.34 2wb1 h LYS 512 Cb 1.30 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 2wb1 h LYS 512 CO 0.56 0.94 2.04 2.41 -0.57 0.00 0.00 179.45 184.83 2wb1 n THR 513 N -4.30 4.48 -3.67 -0.16 -1.04 -1.26 -4.72 114.28 103.61 2wb1 n THR 513 Ca 0.01 -3.46 -0.27 0.00 -2.04 0.00 0.00 64.05 58.29 2wb1 n THR 513 Cb 0.33 -2.07 -0.17 0.00 -1.82 0.00 0.00 70.33 66.60 2wb1 n THR 513 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wb1 s THR 514 N -0.54 0.18 -0.12 12.58 2.01 -1.24 -5.06 115.64 123.44 2wb1 s THR 514 Ca 0.59 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2wb1 s THR 514 Cb 0.24 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 72.00 2wb1 s THR 514 CO -0.11 -0.24 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.63 2wb1 s LEU 515 N 2.02 1.94 -0.05 4.42 1.02 -1.26 -3.00 118.68 123.77 2wb1 s LEU 515 Ca 0.01 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.67 2wb1 s LEU 515 Cb -0.16 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.73 2wb1 s LEU 515 CO -0.08 0.06 -0.15 -0.76 0.02 0.00 0.00 176.35 175.44 2wb1 s LEU 516 N 0.84 2.70 0.53 1.79 1.02 0.11 -4.95 118.68 120.72 2wb1 s LEU 516 Ca -0.08 -0.21 -0.20 0.00 0.02 0.00 0.00 54.13 53.66 2wb1 s LEU 516 Cb -0.15 -1.54 -0.06 0.00 0.02 0.00 0.00 46.19 44.45 2wb1 s LEU 516 CO -0.01 0.34 1.13 -0.89 0.02 0.00 0.00 176.35 176.95 2wb1 s THR 517 N -0.72 3.18 0.58 5.49 2.01 -1.26 -2.00 115.64 122.91 2wb1 s THR 517 Ca 0.11 0.75 0.38 0.00 0.31 0.00 0.00 61.69 63.25 2wb1 s THR 517 Cb -0.11 -3.31 0.56 0.00 0.01 0.00 0.00 72.50 69.66 2wb1 s THR 517 CO 0.00 -0.14 1.52 0.11 -0.69 0.00 0.00 174.62 175.42 2wb1 h LYS 518 N 1.31 0.00 0.00 4.92 1.57 -1.98 0.64 116.57 123.04 2wb1 h LYS 518 Ca -0.50 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.19 2wb1 h LYS 518 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2wb1 h LYS 518 CO 0.57 0.00 -0.49 0.93 -0.57 0.00 0.00 179.45 179.89 2wb1 h GLU 519 N 0.00 0.01 -0.95 3.15 5.08 -1.97 -3.26 114.58 116.63 2wb1 h GLU 519 Ca 0.68 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 59.16 2wb1 h GLU 519 Cb 3.10 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 32.28 2wb1 h GLU 519 CO -0.01 1.01 0.60 0.93 -1.00 0.00 0.00 179.01 180.55 2wb1 h GLU 520 N -0.97 0.79 0.00 2.33 5.08 -0.21 0.12 114.58 121.71 2wb1 h GLU 520 Ca -0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2wb1 h GLU 520 Cb 1.13 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2wb1 h GLU 520 CO -0.07 0.52 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 2wb1 n ALA 521 N -2.39 -0.33 0.31 3.43 0.00 0.65 -2.85 120.51 119.34 2wb1 n ALA 521 Ca 0.19 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.82 2wb1 n ALA 521 Cb 0.45 0.07 1.04 0.00 0.00 0.00 0.00 19.45 21.01 2wb1 n ALA 521 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wb1 h GLN 522 N 0.00 0.00 0.00 0.00 4.20 -1.51 0.38 115.11 118.17 2wb1 h GLN 522 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2wb1 h GLN 522 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2wb1 h GLN 522 CO 0.00 0.00 -0.39 0.37 -0.67 0.00 0.00 178.83 178.14 2wb1 h GLN 523 N 0.00 0.00 0.02 1.46 4.15 -0.79 -3.11 115.11 116.84 2wb1 h GLN 523 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wb1 h GLN 523 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2wb1 h GLN 523 CO -0.00 0.39 -0.01 0.82 -1.93 0.00 0.00 178.83 178.10 2wb1 h ILE 524 N 0.00 0.99 0.00 2.39 2.04 -0.77 -3.32 117.51 118.84 2wb1 h ILE 524 Ca -0.00 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.18 2wb1 h ILE 524 Cb 1.03 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2wb1 h ILE 524 CO 0.05 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.71 2wb1 n LEU 525 N -4.72 0.00 0.07 1.44 7.99 -1.05 -2.23 117.00 118.50 2wb1 n LEU 525 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.86 2wb1 n LEU 525 Cb 0.27 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.64 2wb1 n LEU 525 CO 0.20 0.00 0.38 1.23 -1.51 0.00 0.00 177.39 177.69 2wb1 h GLY 526 N 0.90 0.33 1.78 -0.72 0.00 -1.64 -3.19 103.07 100.53 2wb1 h GLY 526 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 2wb1 h GLY 526 CO 0.00 0.41 -0.66 -2.08 0.00 0.00 0.00 176.54 174.21 2wb1 h VAL 527 N 0.20 1.41 -4.04 4.60 2.07 -1.69 -3.46 116.25 115.35 2wb1 h VAL 527 Ca -0.02 -2.11 -0.47 0.00 0.82 0.00 0.00 66.70 64.92 2wb1 h VAL 527 Cb 1.27 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2wb1 h VAL 527 CO 0.11 0.62 0.30 0.00 0.02 0.00 0.00 177.57 178.63 2wb1 s ALA 528 N -3.65 3.12 -1.04 1.67 0.00 -1.21 -5.00 121.76 115.66 2wb1 s ALA 528 Ca -0.04 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.94 2wb1 s ALA 528 Cb 0.12 -3.04 0.14 0.00 0.00 0.00 0.00 23.12 20.34 2wb1 s ALA 528 CO 0.80 -0.02 1.26 0.34 0.00 0.00 0.00 175.76 178.14 2wb1 s ASP 529 N -2.70 6.78 -0.08 0.00 2.15 -1.26 -4.95 116.67 116.61 2wb1 s ASP 529 Ca 0.58 -2.36 -0.03 0.00 0.43 0.00 0.00 52.55 51.17 2wb1 s ASP 529 Cb -0.10 -2.41 0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2wb1 s ASP 529 CO 0.24 -0.98 0.16 0.68 -0.17 0.00 0.00 175.17 175.10 2wb1 s VAL 530 N 2.45 -0.26 -1.07 1.11 -7.23 -1.26 -5.04 120.40 109.10 2wb1 s VAL 530 Ca 0.37 0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.87 2wb1 s VAL 530 Cb -0.04 -0.29 0.23 0.00 0.56 0.00 0.00 36.38 36.84 2wb1 s VAL 530 CO -0.06 0.15 2.12 0.29 -0.31 0.00 0.00 175.10 177.29 2wb1 n LYS 531 N 5.31 4.64 -4.46 4.82 5.02 -1.26 -4.94 118.16 127.29 2wb1 n LYS 531 Ca -0.05 -3.94 -0.22 0.00 -2.02 0.00 0.00 58.31 52.08 2wb1 n LYS 531 Cb 0.50 -2.48 -0.14 0.00 -0.02 0.00 0.00 35.03 32.89 2wb1 n LYS 531 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wb1 s ILE 532 N -3.13 1.33 0.29 -0.18 -5.25 -1.26 -5.15 121.20 107.85 2wb1 s ILE 532 Ca 0.47 -1.08 0.05 0.00 -0.99 0.00 0.00 60.65 59.09 2wb1 s ILE 532 Cb 0.23 -1.19 0.05 0.00 2.95 0.00 0.00 42.46 44.50 2wb1 s ILE 532 CO -0.15 0.08 0.38 -0.90 -1.79 0.00 0.00 174.94 172.56 2wb1 n ASP 533 N 1.86 1.17 -4.02 4.36 3.85 -1.26 -5.11 116.55 117.41 2wb1 n ASP 533 Ca -0.18 -1.81 -0.31 0.00 -0.71 0.00 0.00 54.79 51.78 2wb1 n ASP 533 Cb 0.54 -0.19 -0.15 0.00 -1.35 0.00 0.00 41.12 39.97 2wb1 n ASP 533 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2wb1 s LEU 534 N 0.00 4.22 -1.04 -2.12 2.01 -1.26 -5.06 118.68 115.44 2wb1 s LEU 534 Ca 0.29 -1.88 -0.24 0.00 0.01 0.00 0.00 54.13 52.31 2wb1 s LEU 534 Cb -0.02 -1.57 -0.08 0.00 0.01 0.00 0.00 46.19 44.53 2wb1 s LEU 534 CO 0.19 -0.32 1.97 -0.83 1.01 0.00 0.00 176.35 178.37 2wb1 s GLY 535 N 1.00 0.05 0.08 -3.19 0.00 -1.26 -4.37 107.32 99.62 2wb1 s GLY 535 Ca 0.04 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2wb1 s GLY 535 CO -0.08 3.61 0.00 1.18 0.00 0.00 0.00 173.10 177.81 2wb1 n GLU 536 N 8.55 -1.50 -1.72 2.90 1.02 -1.26 -4.98 120.64 123.64 2wb1 n GLU 536 Ca 0.43 1.30 -0.35 0.00 -0.02 0.00 0.00 57.16 58.52 2wb1 n GLU 536 Cb 0.47 -1.16 0.06 0.00 -0.02 0.00 0.00 31.44 30.79 2wb1 n GLU 536 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 537 N -2.78 2.59 0.32 3.49 0.04 -1.26 -4.94 135.00 132.45 2wb1 s PRO 537 Ca 0.00 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 2wb1 s PRO 537 Cb 0.00 -1.89 0.52 0.00 0.04 0.00 0.00 34.50 33.17 2wb1 s PRO 537 CO 0.00 -1.48 1.97 0.00 0.04 0.00 0.00 177.00 177.52 2wb1 h ALA 538 N 0.23 1.44 -3.07 8.56 0.00 -1.93 -3.39 119.26 121.10 2wb1 h ALA 538 Ca -0.49 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 53.72 2wb1 h ALA 538 Cb 1.29 -0.28 -0.20 0.00 0.00 0.00 0.00 17.79 18.60 2wb1 h ALA 538 CO 0.53 0.49 -0.59 0.42 0.00 0.00 0.00 179.25 180.10 2wb1 s ILE 539 N -5.74 4.59 -0.25 0.00 1.01 -0.74 -4.99 121.20 115.09 2wb1 s ILE 539 Ca -0.11 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2wb1 s ILE 539 Cb 0.17 -3.12 -0.11 0.00 0.01 0.00 0.00 42.46 39.41 2wb1 s ILE 539 CO 0.78 0.37 -0.31 0.18 0.00 0.00 0.00 174.94 175.97 2wb1 n LEU 540 N 4.42 1.80 0.00 2.97 7.99 -1.26 -1.17 117.00 131.75 2wb1 n LEU 540 Ca -0.16 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 2wb1 n LEU 540 Cb 0.52 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 43.10 2wb1 n LEU 540 CO 0.33 0.53 0.00 0.00 -1.51 0.00 0.00 177.39 176.74 2wb1 n ALA 541 N -4.04 0.00 -0.25 -1.18 0.00 -1.26 -3.46 120.51 110.31 2wb1 n ALA 541 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.01 2wb1 n ALA 541 Cb 0.85 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.48 2wb1 n ALA 541 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wb1 h PRO 542 N 0.00 0.40 -4.58 0.00 0.13 -2.04 -3.40 132.00 122.51 2wb1 h PRO 542 Ca 0.00 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.87 2wb1 h PRO 542 Cb 0.00 -0.09 -0.15 0.00 0.13 0.00 0.00 31.00 30.89 2wb1 h PRO 542 CO 0.00 0.27 -0.63 1.03 -0.23 0.00 0.00 178.00 178.43 2wb1 s ARG 543 N -6.03 1.12 -0.67 0.86 0.52 -1.26 -5.10 118.95 108.40 2wb1 s ARG 543 Ca -0.12 -1.57 -0.26 0.00 -0.52 0.00 0.00 55.73 53.26 2wb1 s ARG 543 Cb 0.20 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.88 2wb1 s ARG 543 CO 0.76 -0.32 1.15 -1.21 0.02 0.00 0.00 175.30 175.70 2wb1 s GLU 544 N -4.09 3.25 -0.12 3.54 2.02 -1.22 -4.06 118.70 118.02 2wb1 s GLU 544 Ca 0.33 -0.29 0.01 0.00 0.02 0.00 0.00 54.97 55.04 2wb1 s GLU 544 Cb 0.07 -4.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.15 2wb1 s GLU 544 CO 0.08 -1.90 -0.16 0.71 0.02 0.00 0.00 175.26 174.01 2wb1 s TYR 545 N 4.97 2.74 0.17 1.61 2.02 -0.31 -4.35 117.35 124.19 2wb1 s TYR 545 Ca 0.33 -0.72 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 2wb1 s TYR 545 Cb -0.11 -1.80 -0.06 0.00 -0.40 0.00 0.00 41.96 39.60 2wb1 s TYR 545 CO 0.16 -0.24 0.43 0.71 -1.57 0.00 0.00 175.55 175.04 2wb1 s TYR 546 N 0.29 3.46 0.44 2.71 1.51 -0.85 -1.78 117.35 123.12 2wb1 s TYR 546 Ca -0.12 0.65 0.08 0.00 -1.01 0.00 0.00 57.07 56.67 2wb1 s TYR 546 Cb -0.16 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 2wb1 s TYR 546 CO 0.06 0.38 0.49 0.95 -1.11 0.00 0.00 175.55 176.32 2wb1 s THR 547 N -1.72 2.71 -0.04 -0.71 -4.23 -1.26 0.05 115.64 110.44 2wb1 s THR 547 Ca 0.43 -1.18 -0.22 0.00 -1.18 0.00 0.00 61.69 59.54 2wb1 s THR 547 Cb -0.12 -2.90 -0.16 0.00 1.34 0.00 0.00 72.50 70.66 2wb1 s THR 547 CO 0.24 0.00 0.93 1.23 -0.54 0.00 0.00 174.62 176.47 2wb1 h GLY 548 N 0.79 -0.24 -1.04 3.99 0.00 -1.62 -3.13 103.07 101.82 2wb1 h GLY 548 Ca -0.40 0.09 0.40 0.00 0.00 0.00 0.00 47.33 47.43 2wb1 h GLY 548 CO 0.51 -0.09 0.61 0.28 0.00 0.00 0.00 176.54 177.85 2wb1 n LYS 549 N -4.94 -0.05 0.12 4.80 4.76 -1.25 -1.44 118.16 120.15 2wb1 n LYS 549 Ca -0.08 1.22 -0.10 0.00 -2.87 0.00 0.00 58.31 56.48 2wb1 n LYS 549 Cb 0.26 -2.27 -0.06 0.00 -1.84 0.00 0.00 35.03 31.12 2wb1 n LYS 549 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2wb1 h GLN 550 N 0.00 -0.36 -0.48 1.97 4.15 -1.81 -2.65 115.11 115.94 2wb1 h GLN 550 Ca 0.79 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 60.23 2wb1 h GLN 550 Cb 2.26 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 30.01 2wb1 h GLN 550 CO -0.60 -0.04 0.27 -0.24 -1.93 0.00 0.00 178.83 176.29 2wb1 h VAL 551 N -0.96 1.14 0.00 2.39 3.04 -1.19 0.66 116.25 121.32 2wb1 h VAL 551 Ca -0.04 -0.34 -0.08 0.00 -1.01 0.00 0.00 66.70 65.23 2wb1 h VAL 551 Cb 0.48 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2wb1 h VAL 551 CO 0.06 0.15 -0.40 0.58 -1.01 0.00 0.00 177.57 176.96 2wb1 h VAL 552 N 0.66 1.20 0.00 1.51 2.07 -1.36 -2.53 116.25 117.79 2wb1 h VAL 552 Ca 0.17 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2wb1 h VAL 552 Cb -0.00 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2wb1 h VAL 552 CO -0.03 0.39 0.00 -0.24 0.02 0.00 0.00 177.57 177.71 2wb1 n SER 553 N -3.93 0.03 0.00 0.57 2.88 0.18 -3.30 113.62 110.05 2wb1 n SER 553 Ca -0.02 0.50 0.10 0.00 -1.33 0.00 0.00 58.87 58.13 2wb1 n SER 553 Cb 0.45 -0.51 0.46 0.00 -0.75 0.00 0.00 64.21 63.86 2wb1 n SER 553 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wb1 n ALA 554 N -1.51 1.98 0.52 -1.46 0.00 -0.95 -2.54 120.51 116.54 2wb1 n ALA 554 Ca 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2wb1 n ALA 554 Cb 0.30 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.52 2wb1 n ALA 554 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wb1 n PHE 555 N -1.44 0.11 -3.77 0.00 3.72 -1.21 -5.00 117.46 109.86 2wb1 n PHE 555 Ca 0.06 -0.08 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 2wb1 n PHE 555 Cb 0.22 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 2wb1 n PHE 555 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2wb1 s LEU 556 N -1.29 4.17 0.24 4.37 1.43 -1.05 -5.03 118.68 121.52 2wb1 s LEU 556 Ca 0.21 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 2wb1 s LEU 556 Cb 0.14 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 2wb1 s LEU 556 CO 0.21 0.19 1.19 -2.84 0.23 0.00 0.00 176.35 175.34 2wb1 s PRO 557 N 0.27 4.51 0.00 1.29 0.02 -1.26 -4.71 135.00 135.12 2wb1 s PRO 557 Ca 0.08 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.02 2wb1 s PRO 557 Cb -0.11 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.22 2wb1 s PRO 557 CO -0.01 -0.02 0.47 1.63 -0.33 0.00 0.00 177.00 178.74 2wb1 n LYS 558 N 1.81 0.89 0.00 5.54 4.76 -1.26 -2.00 118.16 127.89 2wb1 n LYS 558 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2wb1 n LYS 558 Cb 0.44 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 2wb1 n LYS 558 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2wb1 n ASP 559 N 0.09 1.04 -4.70 4.39 5.75 -1.26 -4.24 116.55 117.62 2wb1 n ASP 559 Ca 0.00 -1.40 -0.42 0.00 -0.01 0.00 0.00 54.79 52.96 2wb1 n ASP 559 Cb 0.24 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 2wb1 n ASP 559 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2wb1 s PHE 560 N -0.40 3.60 -0.02 2.11 5.36 -0.85 -4.60 117.98 123.17 2wb1 s PHE 560 Ca 0.00 1.58 0.05 0.00 -0.96 0.00 0.00 56.93 57.60 2wb1 s PHE 560 Cb 0.00 -3.09 -0.01 0.00 -0.34 0.00 0.00 43.02 39.58 2wb1 s PHE 560 CO 0.00 -0.07 -0.16 -0.80 -1.46 0.00 0.00 175.22 172.73 2wb1 s ASN 561 N 1.01 1.95 -0.14 6.13 0.01 -1.26 -1.49 114.94 121.16 2wb1 s ASN 561 Ca 0.48 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 52.21 2wb1 s ASN 561 Cb -0.20 -0.34 0.04 0.00 0.41 0.00 0.00 41.25 41.17 2wb1 s ASN 561 CO 0.23 0.18 0.37 0.12 -1.51 0.00 0.00 177.10 176.48 2wb1 s PHE 562 N -0.22 -0.43 -0.00 2.20 5.36 0.98 -4.74 117.98 121.13 2wb1 s PHE 562 Ca 0.03 1.02 0.02 0.00 -0.96 0.00 0.00 56.93 57.04 2wb1 s PHE 562 Cb -0.08 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 2wb1 s PHE 562 CO 0.00 -0.22 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.47 2wb1 s HIS 563 N 0.48 0.58 0.00 10.12 3.76 -1.25 -1.46 115.29 127.52 2wb1 s HIS 563 Ca -0.02 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2wb1 s HIS 563 Cb -0.04 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.28 2wb1 s HIS 563 CO -0.03 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 2wb1 n GLY 564 N 2.90 2.12 3.75 -2.22 0.00 -0.93 -5.00 105.19 105.80 2wb1 n GLY 564 Ca -0.13 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 2wb1 n GLY 564 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wb1 s GLN 565 N -2.00 4.76 0.67 1.61 -0.21 -1.26 0.04 119.66 123.27 2wb1 s GLN 565 Ca 0.00 1.58 -0.11 0.00 0.02 0.00 0.00 55.36 56.85 2wb1 s GLN 565 Cb 0.00 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 2wb1 s GLN 565 CO 0.00 0.35 1.07 0.00 -2.12 0.00 0.00 175.29 174.60 2wb1 s ALA 566 N -0.89 2.96 0.61 6.09 0.00 -1.09 -4.84 121.76 124.60 2wb1 s ALA 566 Ca 0.44 -0.24 0.29 0.00 0.00 0.00 0.00 51.96 52.44 2wb1 s ALA 566 Cb -0.27 -3.05 1.52 0.00 0.00 0.00 0.00 23.12 21.32 2wb1 s ALA 566 CO 0.34 -0.97 1.91 -0.97 0.00 0.00 0.00 175.76 176.07 2wb1 h ASN 567 N -0.53 0.00 1.24 0.00 -0.73 -1.79 -0.95 115.58 112.82 2wb1 h ASN 567 Ca -0.45 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.71 2wb1 h ASN 567 Cb 1.23 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.82 2wb1 h ASN 567 CO 0.63 0.00 -0.08 0.58 -0.37 0.00 0.00 177.43 178.19 2wb1 h VAL 568 N 0.00 0.18 -0.74 2.57 2.07 -1.87 -3.41 116.25 115.05 2wb1 h VAL 568 Ca 0.14 -0.86 -0.33 0.00 0.82 0.00 0.00 66.70 66.47 2wb1 h VAL 568 Cb 0.98 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2wb1 h VAL 568 CO -0.00 0.08 0.86 -0.55 0.02 0.00 0.00 177.57 177.98 2wb1 s SER 569 N -5.97 5.30 0.11 0.57 0.15 -0.36 -4.66 113.70 108.84 2wb1 s SER 569 Ca 0.02 -0.87 -0.07 0.00 0.70 0.00 0.00 55.95 55.73 2wb1 s SER 569 Cb 0.08 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2wb1 s SER 569 CO 0.60 -2.62 0.19 -0.94 1.20 0.00 0.00 173.24 171.67 2wb1 s SER 570 N 7.53 0.14 0.00 5.45 1.04 -1.26 -4.65 113.70 121.95 2wb1 s SER 570 Ca 0.67 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2wb1 s SER 570 Cb -0.05 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2wb1 s SER 570 CO -0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2wb1 n GLY 571 N -0.10 1.06 0.28 7.32 0.00 -1.26 -0.12 105.19 112.36 2wb1 n GLY 571 Ca -0.12 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2wb1 n GLY 571 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wb1 h PRO 572 N 0.00 0.00 -0.26 1.61 0.11 -1.99 -2.24 132.00 129.22 2wb1 h PRO 572 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wb1 h PRO 572 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wb1 h PRO 572 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 2wb1 n ARG 573 N -4.26 2.40 -1.66 1.05 1.74 0.83 -5.00 116.66 111.77 2wb1 n ARG 573 Ca -0.03 -2.14 -0.45 0.00 -0.77 0.00 0.00 57.85 54.45 2wb1 n ARG 573 Cb 0.09 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 2wb1 n ARG 573 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wb1 n LEU 574 N 1.42 2.90 -0.00 0.55 0.00 -0.21 -4.35 117.00 117.30 2wb1 n LEU 574 Ca 0.17 1.14 -0.01 0.00 0.00 0.00 0.00 56.01 57.31 2wb1 n LEU 574 Cb 0.59 -1.40 -0.00 0.00 0.00 0.00 0.00 43.42 42.61 2wb1 n LEU 574 CO 0.15 -0.58 -0.07 0.00 0.00 0.00 0.00 177.39 176.89 2wb1 n LYS 576 N -2.87 0.00 -4.09 0.00 5.02 -1.26 -4.88 118.16 110.08 2wb1 n LYS 576 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 2wb1 n LYS 576 Cb 0.05 -4.16 -0.10 0.00 -0.02 0.00 0.00 35.03 30.80 2wb1 n LYS 576 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wb1 s ASN 577 N -2.04 0.63 0.47 4.39 3.84 -1.26 -5.05 114.94 115.92 2wb1 s ASN 577 Ca 0.00 -0.89 0.26 0.00 0.21 0.00 0.00 52.86 52.44 2wb1 s ASN 577 Cb 0.00 0.15 0.67 0.00 -0.55 0.00 0.00 41.25 41.52 2wb1 s ASN 577 CO 0.00 -0.50 1.73 -0.33 -2.79 0.00 0.00 177.10 175.21 2wb1 h GLU 578 N 3.43 0.00 -4.79 0.43 5.08 -1.92 -3.38 114.58 113.44 2wb1 h GLU 578 Ca -0.34 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.33 2wb1 h GLU 578 Cb 1.16 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.22 2wb1 h GLU 578 CO 0.60 0.03 0.22 0.34 -1.00 0.00 0.00 179.01 179.20 2wb1 s ASP 579 N -6.06 6.23 -0.14 1.42 3.68 -1.26 -5.01 116.67 115.53 2wb1 s ASP 579 Ca 0.05 -1.45 -0.04 0.00 2.13 0.00 0.00 52.55 53.24 2wb1 s ASP 579 Cb 0.06 -2.32 0.07 0.00 -1.45 0.00 0.00 42.92 39.28 2wb1 s ASP 579 CO 0.63 -1.14 0.18 0.00 0.13 0.00 0.00 175.17 174.97 2wb1 h PRO 581 N 8.35 0.00 -5.92 0.00 0.11 -1.96 -3.40 132.00 129.17 2wb1 h PRO 581 Ca -0.15 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.33 2wb1 h PRO 581 Cb 1.13 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2wb1 h PRO 581 CO 0.21 0.00 -0.51 -1.01 -0.21 0.00 0.00 178.00 176.48 2wb1 s HIS 582 N -4.26 3.48 -1.48 0.65 3.76 -1.26 -5.00 115.29 111.18 2wb1 s HIS 582 Ca -0.05 0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 55.02 2wb1 s HIS 582 Cb 0.13 -1.76 -0.07 0.00 1.11 0.00 0.00 32.58 31.99 2wb1 s HIS 582 CO 0.42 0.60 2.70 -3.47 -0.85 0.00 0.00 174.74 174.14 2wb1 n ASP 583 N 0.53 7.29 0.00 1.40 2.03 -1.26 -4.52 116.55 122.02 2wb1 n ASP 583 Ca -0.07 -2.58 0.00 0.00 0.52 0.00 0.00 54.79 52.65 2wb1 n ASP 583 Cb 0.52 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 2wb1 n ASP 583 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2wb1 n SER 584 N 4.19 0.78 -3.86 1.67 2.88 -1.26 -2.74 113.62 115.27 2wb1 n SER 584 Ca 0.69 -1.31 -0.30 0.00 -1.33 0.00 0.00 58.87 56.62 2wb1 n SER 584 Cb 0.25 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 2wb1 n SER 584 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2wb1 s TYR 585 N -0.31 2.71 -0.07 0.66 5.04 -1.26 -2.66 117.35 121.47 2wb1 s TYR 585 Ca 0.00 -2.76 -0.29 0.00 -2.44 0.00 0.00 57.07 51.58 2wb1 s TYR 585 Cb 0.00 -2.41 -0.07 0.00 0.35 0.00 0.00 41.96 39.83 2wb1 s TYR 585 CO 0.00 -0.80 2.05 0.08 -1.34 0.00 0.00 175.55 175.54 2wb1 s VAL 586 N 0.28 3.04 -0.23 3.14 1.01 0.11 -4.00 120.40 123.74 2wb1 s VAL 586 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2wb1 s VAL 586 Cb -0.24 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2wb1 s VAL 586 CO -0.03 -0.01 -0.06 -0.69 0.00 0.00 0.00 175.10 174.30 2wb1 s VAL 587 N 5.91 1.56 -0.16 2.92 1.01 -0.80 -2.20 120.40 128.65 2wb1 s VAL 587 Ca 0.92 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2wb1 s VAL 587 Cb -0.38 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2wb1 s VAL 587 CO 0.39 -0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 174.65 2wb1 s ILE 588 N 1.39 2.49 0.05 2.22 1.01 -0.53 -2.20 121.20 125.62 2wb1 s ILE 588 Ca -0.05 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.86 2wb1 s ILE 588 Cb -0.18 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2wb1 s ILE 588 CO -0.06 0.52 -0.24 -0.54 0.00 0.00 0.00 174.94 174.61 2wb1 s LYS 589 N 0.90 1.63 -0.80 2.79 1.02 -0.81 -0.01 119.74 124.45 2wb1 s LYS 589 Ca -0.04 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 54.79 2wb1 s LYS 589 Cb -0.15 -1.80 0.09 0.00 -0.52 0.00 0.00 37.83 35.44 2wb1 s LYS 589 CO -0.02 0.46 0.25 0.09 -0.92 0.00 0.00 175.35 175.21 2wb1 n ASN 590 N 1.74 -1.65 0.00 2.83 3.02 -0.71 -0.25 115.26 120.24 2wb1 n ASN 590 Ca -0.17 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2wb1 n ASN 590 Cb 0.52 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 2wb1 n ASN 590 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 591 N -0.77 0.41 3.11 7.41 0.00 -0.55 -4.06 105.19 110.74 2wb1 n GLY 591 Ca 0.03 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 2wb1 n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 592 N -2.00 1.60 -0.65 -0.61 -1.09 0.65 -4.53 121.20 114.57 2wb1 s ILE 592 Ca 0.00 -0.74 -0.25 0.00 -2.23 0.00 0.00 60.65 57.43 2wb1 s ILE 592 Cb 0.00 -1.42 0.05 0.00 -1.58 0.00 0.00 42.46 39.51 2wb1 s ILE 592 CO 0.00 0.46 1.08 -0.22 -1.23 0.00 0.00 174.94 175.03 2wb1 s LEU 593 N 0.59 3.84 -0.12 2.97 0.20 -1.26 -1.93 118.68 122.96 2wb1 s LEU 593 Ca -0.15 -0.54 0.04 0.00 0.69 0.00 0.00 54.13 54.17 2wb1 s LEU 593 Cb -0.17 -2.65 -0.24 0.00 -0.43 0.00 0.00 46.19 42.71 2wb1 s LEU 593 CO 0.05 -1.51 0.35 0.18 -0.29 0.00 0.00 176.35 175.12 2wb1 n LEU 594 N 8.24 1.75 -3.94 -0.68 7.99 -0.94 -4.62 117.00 124.79 2wb1 n LEU 594 Ca 0.01 0.21 -0.09 0.00 -0.01 0.00 0.00 56.01 56.13 2wb1 n LEU 594 Cb 0.47 -0.44 -0.09 0.00 -0.11 0.00 0.00 43.42 43.25 2wb1 n LEU 594 CO 0.67 0.66 -0.21 -1.61 -1.51 0.00 0.00 177.39 175.39 2wb1 s GLU 595 N -2.56 0.67 0.13 3.23 2.02 -1.02 -5.00 118.70 116.17 2wb1 s GLU 595 Ca -0.16 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 53.90 2wb1 s GLU 595 Cb 0.07 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2wb1 s GLU 595 CO 0.77 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2wb1 n GLY 596 N 0.36 -2.92 3.26 -1.39 0.00 -1.26 -1.91 105.19 101.32 2wb1 n GLY 596 Ca -0.17 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 2wb1 n GLY 596 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s VAL 597 N -0.77 1.19 -0.15 1.61 0.11 -1.11 -4.69 120.40 116.58 2wb1 s VAL 597 Ca 0.00 -2.07 -0.07 0.00 -2.93 0.00 0.00 61.98 56.91 2wb1 s VAL 597 Cb 0.00 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 2wb1 s VAL 597 CO 0.00 -0.73 0.10 -0.36 -3.33 0.00 0.00 175.10 170.78 2wb1 s PHE 598 N -3.32 3.41 0.00 1.54 2.99 -1.25 -4.82 117.98 116.54 2wb1 s PHE 598 Ca 0.17 0.33 0.00 0.00 0.00 0.00 0.00 56.93 57.43 2wb1 s PHE 598 Cb 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 43.02 41.04 2wb1 s PHE 598 CO 0.01 0.45 0.00 -0.40 -0.00 0.00 0.00 175.22 175.28 2wb1 n ASP 599 N 2.75 0.00 -4.70 1.36 5.75 -1.26 -2.64 116.55 117.81 2wb1 n ASP 599 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.29 2wb1 n ASP 599 Cb 0.53 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.77 2wb1 n ASP 599 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wb1 s LYS 600 N 1.22 1.42 0.00 0.11 2.20 -1.25 0.14 119.74 123.58 2wb1 s LYS 600 Ca 0.00 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2wb1 s LYS 600 Cb 0.00 -1.78 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 2wb1 s LYS 600 CO 0.00 -2.32 0.00 1.63 -0.36 0.00 0.00 175.35 174.30 2wb1 n LYS 601 N -3.99 0.00 -0.09 4.03 4.76 -1.26 -3.22 118.16 118.39 2wb1 n LYS 601 Ca 0.11 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.32 2wb1 n LYS 601 Cb 0.52 -0.09 -0.12 0.00 -1.84 0.00 0.00 35.03 33.50 2wb1 n LYS 601 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wb1 n ALA 602 N 0.00 0.88 -3.55 7.82 0.00 -0.94 -3.63 120.51 121.10 2wb1 n ALA 602 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 53.44 52.81 2wb1 n ALA 602 Cb 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 2wb1 n ALA 602 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wb1 n ILE 603 N -4.21 0.00 0.00 0.00 5.41 0.38 -2.63 119.36 118.31 2wb1 n ILE 603 Ca -0.36 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.23 2wb1 n ILE 603 Cb 0.78 0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 2wb1 n ILE 603 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 604 N 2.16 -0.19 3.29 7.39 0.00 -1.26 -3.96 105.19 112.62 2wb1 n GLY 604 Ca -0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 2wb1 n GLY 604 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wb1 n ASN 605 N -0.30 -3.51 -4.49 1.61 6.94 -1.22 -3.57 115.26 110.72 2wb1 n ASN 605 Ca 0.00 -0.67 -0.41 0.00 -0.02 0.00 0.00 54.58 53.48 2wb1 n ASN 605 Cb 0.00 -1.07 -0.07 0.00 -2.36 0.00 0.00 39.78 36.27 2wb1 n ASN 605 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2wb1 n GLN 606 N -5.51 -1.05 -3.54 -3.83 0.00 -0.63 -4.91 117.38 97.91 2wb1 n GLN 606 Ca 0.10 0.17 -0.27 0.00 -0.00 0.00 0.00 57.00 57.00 2wb1 n GLN 606 Cb 0.58 -4.70 -0.11 0.00 0.00 0.00 0.00 30.24 26.01 2wb1 n GLN 606 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2wb1 n GLN 607 N -4.13 0.72 -1.09 3.69 1.13 -1.23 -5.05 117.38 111.41 2wb1 n GLN 607 Ca 0.09 -3.59 -0.31 0.00 -1.94 0.00 0.00 57.00 51.26 2wb1 n GLN 607 Cb 0.47 -1.85 0.13 0.00 0.11 0.00 0.00 30.24 29.10 2wb1 n GLN 607 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2wb1 s PRO 608 N -0.46 1.61 -1.85 -1.09 0.02 -1.26 -3.57 135.00 128.39 2wb1 s PRO 608 Ca 0.31 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.49 2wb1 s PRO 608 Cb 0.02 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2wb1 s PRO 608 CO -0.19 -2.10 0.00 0.39 -0.33 0.00 0.00 177.00 174.78 2wb1 n GLU 609 N -3.83 -1.54 -2.22 5.54 1.02 -1.26 -4.98 120.64 113.37 2wb1 n GLU 609 Ca 0.09 1.11 -0.27 0.00 -0.02 0.00 0.00 57.16 58.07 2wb1 n GLU 609 Cb 0.53 -5.52 0.15 0.00 -0.02 0.00 0.00 31.44 26.58 2wb1 n GLU 609 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wb1 s SER 610 N -2.65 3.72 0.31 1.62 1.04 -1.23 -4.93 113.70 111.57 2wb1 s SER 610 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2wb1 s SER 610 Cb 0.00 -0.23 0.49 0.00 0.10 0.00 0.00 66.02 66.38 2wb1 s SER 610 CO 0.00 -2.31 1.88 0.40 0.98 0.00 0.00 173.24 174.19 2wb1 h ILE 611 N -1.12 1.21 -0.03 -1.02 2.04 -1.62 -2.81 117.51 114.15 2wb1 h ILE 611 Ca -0.41 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2wb1 h ILE 611 Cb 1.25 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2wb1 h ILE 611 CO 0.40 0.26 0.01 0.25 0.00 0.00 0.00 178.15 179.07 2wb1 h LEU 612 N 0.78 0.05 -0.26 1.44 5.85 -1.81 -2.23 115.31 119.12 2wb1 h LEU 612 Ca 0.18 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2wb1 h LEU 612 Cb 0.20 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2wb1 h LEU 612 CO -0.01 0.29 -0.44 -0.74 -0.34 0.00 0.00 178.44 177.19 2wb1 h HIS 613 N -0.19 -1.29 -0.37 1.25 2.76 -1.78 -1.40 115.15 114.13 2wb1 h HIS 613 Ca 0.01 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2wb1 h HIS 613 Cb 0.26 0.60 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 2wb1 h HIS 613 CO 0.01 -0.47 0.10 -1.49 -1.30 0.00 0.00 177.93 174.78 2wb1 h TRP 614 N -0.43 0.53 0.00 5.26 4.06 -1.50 0.15 115.95 124.02 2wb1 h TRP 614 Ca 0.10 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 2wb1 h TRP 614 Cb 0.61 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 2wb1 h TRP 614 CO -0.57 0.45 -0.01 -0.07 -3.56 0.00 0.00 178.44 174.69 2wb1 h LEU 615 N 0.52 0.00 0.00 -4.49 3.38 -0.62 0.61 115.31 114.71 2wb1 h LEU 615 Ca 0.12 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.76 2wb1 h LEU 615 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2wb1 h LEU 615 CO -0.01 0.01 -2.26 -0.38 0.09 0.00 0.00 178.44 175.89 2wb1 n ILE 616 N -3.46 1.26 0.25 1.22 5.41 -0.47 -3.79 119.36 119.78 2wb1 n ILE 616 Ca -0.03 -0.60 0.14 0.00 1.00 0.00 0.00 62.75 63.26 2wb1 n ILE 616 Cb 0.09 -0.99 0.42 0.00 -0.71 0.00 0.00 39.64 38.45 2wb1 n ILE 616 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2wb1 h LYS 617 N 0.00 0.00 0.00 0.38 3.64 -0.84 -3.27 116.57 116.48 2wb1 h LYS 617 Ca -0.49 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 2wb1 h LYS 617 Cb 1.91 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.64 2wb1 h LYS 617 CO -0.04 0.02 -0.60 -0.85 -2.27 0.00 0.00 179.45 175.71 2wb1 n GLU 618 N -3.11 1.16 -4.13 1.90 0.28 0.19 -5.05 120.64 111.88 2wb1 n GLU 618 Ca 0.02 -2.92 -0.11 0.00 -0.16 0.00 0.00 57.16 54.00 2wb1 n GLU 618 Cb 0.43 -1.20 -0.09 0.00 1.43 0.00 0.00 31.44 32.00 2wb1 n GLU 618 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2wb1 s TYR 619 N -2.39 0.89 0.76 -1.84 1.51 -1.24 -4.98 117.35 110.08 2wb1 s TYR 619 Ca 0.36 -1.19 -0.15 0.00 -1.01 0.00 0.00 57.07 55.08 2wb1 s TYR 619 Cb 0.36 -0.39 0.03 0.00 -0.11 0.00 0.00 41.96 41.86 2wb1 s TYR 619 CO -0.09 -0.66 1.02 -1.13 -1.11 0.00 0.00 175.55 173.58 2wb1 n SER 620 N -0.23 0.55 0.18 2.29 3.41 -1.26 -4.82 113.62 113.74 2wb1 n SER 620 Ca -0.02 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.26 2wb1 n SER 620 Cb 0.64 -1.43 0.32 0.00 -0.26 0.00 0.00 64.21 63.48 2wb1 n SER 620 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2wb1 h ASP 621 N -0.53 0.00 0.96 4.04 3.58 -1.97 -2.47 116.42 120.04 2wb1 h ASP 621 Ca -0.47 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.87 2wb1 h ASP 621 Cb 1.32 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.35 2wb1 h ASP 621 CO 0.46 0.41 -0.52 -0.33 -2.88 0.00 0.00 179.24 176.39 2wb1 h GLU 622 N 0.00 0.00 0.18 0.28 4.39 -1.96 -3.22 114.58 114.26 2wb1 h GLU 622 Ca -0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2wb1 h GLU 622 Cb 0.89 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2wb1 h GLU 622 CO 0.05 0.52 -1.54 -0.92 -1.16 0.00 0.00 179.01 175.96 2wb1 h TYR 623 N 0.00 0.71 -0.44 4.33 3.20 -1.87 -3.15 116.97 119.74 2wb1 h TYR 623 Ca -0.01 -0.52 0.07 0.00 3.14 0.00 0.00 58.73 61.41 2wb1 h TYR 623 Cb 1.14 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.29 2wb1 h TYR 623 CO 0.00 1.51 -0.48 0.78 -1.64 0.00 0.00 178.16 178.33 2wb1 h GLY 624 N 0.90 -0.72 0.69 1.82 0.00 -1.46 0.65 103.07 104.95 2wb1 h GLY 624 Ca -0.26 0.62 0.07 0.00 0.00 0.00 0.00 47.33 47.76 2wb1 h GLY 624 CO 0.21 -0.15 0.54 1.70 0.00 0.00 0.00 176.54 178.83 2wb1 h LYS 625 N -0.34 0.93 0.31 4.80 3.64 -1.70 -2.43 116.57 121.79 2wb1 h LYS 625 Ca 0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2wb1 h LYS 625 Cb 0.59 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wb1 h LYS 625 CO -0.61 0.62 -0.15 2.35 -2.27 0.00 0.00 179.45 179.39 2wb1 h TRP 626 N 0.96 -0.39 0.22 1.91 7.01 -0.75 -2.30 115.95 122.61 2wb1 h TRP 626 Ca 0.39 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.38 2wb1 h TRP 626 Cb 0.21 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 2wb1 h TRP 626 CO -0.03 -0.12 -0.51 1.25 -2.79 0.00 0.00 178.44 176.24 2wb1 h LEU 627 N -0.62 -1.49 -0.93 0.65 5.85 0.24 -1.52 115.31 117.49 2wb1 h LEU 627 Ca -0.04 0.15 0.26 0.00 0.84 0.00 0.00 57.88 59.09 2wb1 h LEU 627 Cb 0.44 0.54 -0.14 0.00 0.37 0.00 0.00 40.66 41.87 2wb1 h LEU 627 CO 0.07 -0.58 0.37 0.24 -0.34 0.00 0.00 178.44 178.20 2wb1 h MET 628 N -0.81 0.27 0.00 1.25 2.86 -1.45 -0.26 114.93 116.79 2wb1 h MET 628 Ca -0.02 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2wb1 h MET 628 Cb 0.78 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 2wb1 h MET 628 CO -0.23 0.18 -0.25 -0.44 1.06 0.00 0.00 176.91 177.24 2wb1 h ASP 629 N 0.28 0.00 0.00 1.22 3.32 -0.72 -3.36 116.42 117.16 2wb1 h ASP 629 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 2wb1 h ASP 629 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2wb1 h ASP 629 CO -0.62 0.25 -0.21 0.59 -1.72 0.00 0.00 179.24 177.52 2wb1 n ASN 630 N -3.26 0.63 -0.55 6.45 3.02 -0.18 -4.26 115.26 117.11 2wb1 n ASN 630 Ca 0.01 0.10 0.45 0.00 -0.03 0.00 0.00 54.58 55.12 2wb1 n ASN 630 Cb 0.53 -0.37 0.79 0.00 -0.61 0.00 0.00 39.78 40.11 2wb1 n ASN 630 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wb1 h LEU 631 N -0.21 0.02 0.00 3.41 5.85 -1.60 0.59 115.31 123.37 2wb1 h LEU 631 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2wb1 h LEU 631 Cb 0.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2wb1 h LEU 631 CO 0.00 -0.01 -0.75 -0.26 -0.34 0.00 0.00 178.44 177.08 2wb1 h PHE 632 N 0.01 0.00 0.00 1.25 0.04 -1.73 -2.67 116.94 113.85 2wb1 h PHE 632 Ca 0.79 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.56 2wb1 h PHE 632 Cb 3.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.28 2wb1 h PHE 632 CO -0.00 0.00 -0.16 -0.09 -0.60 0.00 0.00 178.31 177.46 2wb1 h ARG 633 N 0.00 0.00 0.08 1.51 9.65 -0.01 -3.29 114.38 122.32 2wb1 h ARG 633 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 2wb1 h ARG 633 Cb 0.75 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.30 2wb1 h ARG 633 CO 0.00 0.00 -1.87 0.28 2.80 0.00 0.00 179.97 181.18 2wb1 n VAL 634 N -2.40 1.72 0.07 0.20 0.31 -0.99 -2.77 118.33 114.47 2wb1 n VAL 634 Ca 0.05 -0.71 0.10 0.00 -0.01 0.00 0.00 64.34 63.77 2wb1 n VAL 634 Cb 0.45 -1.46 0.57 0.00 -0.91 0.00 0.00 33.84 32.49 2wb1 n VAL 634 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2wb1 h PHE 635 N 0.04 0.22 0.23 3.52 0.05 -1.59 -2.67 116.94 116.74 2wb1 h PHE 635 Ca -0.37 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.42 2wb1 h PHE 635 Cb 2.03 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 39.91 2wb1 h PHE 635 CO 0.05 0.12 -0.11 0.82 -0.18 0.00 0.00 178.31 179.01 2wb1 h ILE 636 N 0.22 0.00 -0.25 -0.55 1.08 -1.62 -3.14 117.51 113.24 2wb1 h ILE 636 Ca 0.14 -0.49 0.07 0.00 -0.39 0.00 0.00 64.86 64.20 2wb1 h ILE 636 Cb 0.30 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 2wb1 h ILE 636 CO -0.03 0.00 0.27 -0.09 -0.69 0.00 0.00 178.15 177.61 2wb1 h ARG 637 N -0.79 0.00 -0.51 2.37 9.65 -1.54 0.39 114.38 123.94 2wb1 h ARG 637 Ca -0.03 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2wb1 h ARG 637 Cb 0.23 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2wb1 h ARG 637 CO 0.05 0.00 -0.18 0.35 2.80 0.00 0.00 179.97 182.99 2wb1 h PHE 638 N 0.00 1.16 -0.70 2.20 3.57 -1.56 -2.91 116.94 118.69 2wb1 h PHE 638 Ca 0.12 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 2wb1 h PHE 638 Cb 0.66 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2wb1 h PHE 638 CO 0.00 1.10 0.18 0.28 -2.23 0.00 0.00 178.31 177.64 2wb1 h VAL 639 N 0.89 1.26 -0.02 1.41 2.07 -0.19 0.31 116.25 121.97 2wb1 h VAL 639 Ca 0.12 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2wb1 h VAL 639 Cb 0.76 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2wb1 h VAL 639 CO 0.06 0.37 0.07 -0.33 0.02 0.00 0.00 177.57 177.76 2wb1 h GLU 640 N 1.06 0.00 0.00 1.57 5.08 -1.33 0.23 114.58 121.18 2wb1 h GLU 640 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2wb1 h GLU 640 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2wb1 h GLU 640 CO -0.00 0.00 -0.29 1.28 -1.00 0.00 0.00 179.01 179.00 2wb1 n LEU 641 N -3.28 0.88 -0.34 1.33 4.32 -0.62 -4.61 117.00 114.68 2wb1 n LEU 641 Ca -0.02 0.39 0.13 0.00 -0.02 0.00 0.00 56.01 56.48 2wb1 n LEU 641 Cb 0.15 -0.67 0.33 0.00 -1.62 0.00 0.00 43.42 41.61 2wb1 n LEU 641 CO 0.21 -0.47 1.21 -0.61 -1.22 0.00 0.00 177.39 176.51 2wb1 h GLN 642 N -0.48 0.74 -0.35 3.23 5.75 -0.33 -3.48 115.11 120.19 2wb1 h GLN 642 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2wb1 h GLN 642 Cb 0.29 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.67 2wb1 h GLN 642 CO 0.00 0.49 0.00 0.41 -2.65 0.00 0.00 178.83 177.08 2wb1 n GLY 643 N -1.36 -2.20 2.88 2.39 0.00 0.79 -5.06 105.19 102.62 2wb1 n GLY 643 Ca 0.22 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 2wb1 n GLY 643 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wb1 s PHE 644 N -0.40 -0.33 0.00 1.61 5.36 -1.26 -5.06 117.98 117.90 2wb1 s PHE 644 Ca 0.00 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2wb1 s PHE 644 Cb 0.00 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 2wb1 s PHE 644 CO 0.00 -0.44 0.00 -2.37 -1.46 0.00 0.00 175.22 170.95 2wb1 n THR 645 N 5.33 0.00 -3.21 0.12 5.66 -1.26 -5.13 114.28 115.80 2wb1 n THR 645 Ca -0.05 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.94 2wb1 n THR 645 Cb 0.50 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.26 2wb1 n THR 645 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2wb1 s MET 646 N 1.68 0.58 -0.03 1.09 1.75 -1.26 -4.79 119.30 118.31 2wb1 s MET 646 Ca 0.00 0.23 -0.01 0.00 -1.25 0.00 0.00 55.69 54.66 2wb1 s MET 646 Cb 0.00 0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 2wb1 s MET 646 CO 0.00 -1.08 0.07 -0.98 -0.65 0.00 0.00 175.02 172.38 2wb1 s ARG 647 N 2.51 3.09 0.51 4.11 1.70 -1.26 -5.01 118.95 124.60 2wb1 s ARG 647 Ca 0.11 -0.43 0.16 0.00 -0.47 0.00 0.00 55.73 55.10 2wb1 s ARG 647 Cb -0.10 -2.88 1.25 0.00 -0.57 0.00 0.00 34.95 32.65 2wb1 s ARG 647 CO -0.22 0.67 2.13 1.25 -1.08 0.00 0.00 175.30 178.04 2wb1 h LEU 648 N 4.39 0.04 0.00 -1.89 6.46 -2.02 -1.10 115.31 121.18 2wb1 h LEU 648 Ca -0.50 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2wb1 h LEU 648 Cb 1.19 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2wb1 h LEU 648 CO 0.60 0.03 0.00 -0.62 -0.62 0.00 0.00 178.44 177.83 2wb1 n GLU 649 N -4.52 0.00 0.25 1.25 4.71 -1.26 -1.48 120.64 119.60 2wb1 n GLU 649 Ca -0.01 0.33 0.11 0.00 -0.01 0.00 0.00 57.16 57.58 2wb1 n GLU 649 Cb 0.14 -1.50 0.68 0.00 -1.01 0.00 0.00 31.44 29.76 2wb1 n GLU 649 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2wb1 h ASP 650 N 0.00 0.00 0.00 1.62 3.32 -1.61 -3.32 116.42 116.42 2wb1 h ASP 650 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wb1 h ASP 650 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wb1 h ASP 650 CO 0.00 0.13 -0.88 0.52 -1.72 0.00 0.00 179.24 177.30 2wb1 n VAL 651 N -3.80 0.00 -3.20 -1.35 0.31 -0.55 -4.85 118.33 104.89 2wb1 n VAL 651 Ca -0.02 -0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 63.71 2wb1 n VAL 651 Cb 0.24 0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 33.71 2wb1 n VAL 651 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wb1 s SER 652 N -2.18 7.02 -0.10 4.52 1.04 -1.18 -4.39 113.70 118.44 2wb1 s SER 652 Ca -0.01 1.21 0.16 0.00 0.48 0.00 0.00 55.95 57.79 2wb1 s SER 652 Cb 0.03 -2.37 0.34 0.00 0.10 0.00 0.00 66.02 64.12 2wb1 s SER 652 CO 0.20 0.13 1.16 0.00 0.98 0.00 0.00 173.24 175.72 2wb1 n LEU 653 N 2.50 1.70 -4.45 2.42 -0.00 -1.26 -4.94 117.00 112.97 2wb1 n LEU 653 Ca -0.07 -2.73 -0.51 0.00 -0.00 0.00 0.00 56.01 52.70 2wb1 n LEU 653 Cb 0.51 -0.27 -0.04 0.00 -0.00 0.00 0.00 43.42 43.62 2wb1 n LEU 653 CO 0.43 0.83 0.23 0.61 -0.00 0.00 0.00 177.39 179.49 2wb1 n GLY 654 N -0.49 -1.15 1.48 1.47 0.00 -1.26 -4.07 105.19 101.18 2wb1 n GLY 654 Ca 0.12 0.47 0.18 0.00 0.00 0.00 0.00 46.02 46.79 2wb1 n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb1 n ASP 655 N 1.83 -8.31 0.00 1.61 9.92 -1.26 -4.67 116.55 115.66 2wb1 n ASP 655 Ca 0.18 1.38 0.00 0.00 -0.53 0.00 0.00 54.79 55.82 2wb1 n ASP 655 Cb 0.20 -5.03 0.00 0.00 -0.64 0.00 0.00 41.12 35.66 2wb1 n ASP 655 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wb1 n ASP 656 N -4.40 0.00 0.20 -2.24 2.03 -1.26 -2.96 116.55 107.92 2wb1 n ASP 656 Ca -0.08 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.29 2wb1 n ASP 656 Cb 0.70 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.64 2wb1 n ASP 656 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2wb1 h VAL 657 N 0.00 1.08 -0.43 5.18 2.07 -1.83 -2.75 116.25 119.56 2wb1 h VAL 657 Ca 0.00 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2wb1 h VAL 657 Cb 0.00 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2wb1 h VAL 657 CO 0.00 0.10 -0.23 0.11 0.02 0.00 0.00 177.57 177.57 2wb1 h LYS 658 N 0.09 0.89 0.00 1.57 1.57 -1.68 -3.06 116.57 115.95 2wb1 h LYS 658 Ca 0.02 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2wb1 h LYS 658 Cb 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wb1 h LYS 658 CO 0.01 1.02 0.00 1.63 -0.57 0.00 0.00 179.45 181.54 2wb1 n LYS 659 N -4.11 0.36 -0.04 3.15 5.02 -1.04 -0.92 118.16 120.59 2wb1 n LYS 659 Ca 0.00 0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 2wb1 n LYS 659 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 2wb1 n LYS 659 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wb1 h GLU 660 N 0.00 0.11 -0.20 1.97 5.08 -1.62 -3.25 114.58 116.67 2wb1 h GLU 660 Ca 0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2wb1 h GLU 660 Cb 0.03 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2wb1 h GLU 660 CO 0.00 1.09 0.04 0.82 -1.00 0.00 0.00 179.01 179.96 2wb1 h ILE 661 N -0.70 0.92 0.00 3.13 1.08 -1.35 -0.13 117.51 120.46 2wb1 h ILE 661 Ca -0.23 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2wb1 h ILE 661 Cb 1.42 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 2wb1 h ILE 661 CO -0.03 0.02 0.00 -1.22 -0.69 0.00 0.00 178.15 176.23 2wb1 n TYR 662 N -5.08 0.00 -0.13 1.37 4.02 -0.10 -0.10 117.16 117.14 2wb1 n TYR 662 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2wb1 n TYR 662 Cb 0.09 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 2wb1 n TYR 662 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wb1 n ASN 663 N -0.01 0.44 -0.03 7.72 5.15 -0.13 -4.75 115.26 123.65 2wb1 n ASN 663 Ca 0.00 -0.73 -0.02 0.00 -0.60 0.00 0.00 54.58 53.23 2wb1 n ASN 663 Cb 0.09 0.33 -0.06 0.00 -0.53 0.00 0.00 39.78 39.62 2wb1 n ASN 663 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2wb1 n GLU 664 N -0.33 2.27 -0.04 1.20 4.07 0.85 -4.07 120.64 124.59 2wb1 n GLU 664 Ca 0.00 -0.02 -0.13 0.00 -0.06 0.00 0.00 57.16 56.95 2wb1 n GLU 664 Cb 0.03 -1.19 -0.08 0.00 -0.06 0.00 0.00 31.44 30.15 2wb1 n GLU 664 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2wb1 h ILE 665 N 0.00 1.33 0.00 6.31 3.07 -1.00 0.26 117.51 127.48 2wb1 h ILE 665 Ca -0.15 -1.12 -0.04 0.00 1.55 0.00 0.00 64.86 65.09 2wb1 h ILE 665 Cb 1.21 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 39.63 2wb1 h ILE 665 CO 0.01 0.32 -0.21 -2.24 -1.05 0.00 0.00 178.15 174.98 2wb1 h ASP 666 N -0.17 0.00 -0.66 2.16 -0.00 -1.83 -0.01 116.42 115.91 2wb1 h ASP 666 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.97 2wb1 h ASP 666 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.83 2wb1 h ASP 666 CO 0.02 0.21 0.09 -0.09 -0.00 0.00 0.00 179.24 179.46 2wb1 h ARG 667 N 0.00 1.11 0.00 4.15 2.43 -1.69 -2.41 114.38 117.97 2wb1 h ARG 667 Ca -0.00 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.76 2wb1 h ARG 667 Cb 1.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2wb1 h ARG 667 CO 0.03 1.03 -0.48 0.00 -1.51 0.00 0.00 179.97 179.03 2wb1 h ALA 668 N 1.05 1.18 -0.20 2.80 0.00 -0.11 -3.21 119.26 120.77 2wb1 h ALA 668 Ca 0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2wb1 h ALA 668 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wb1 h ALA 668 CO 0.02 0.60 -0.06 0.87 0.00 0.00 0.00 179.25 180.68 2wb1 h LYS 669 N 0.00 0.40 0.00 0.00 1.57 -0.71 -2.91 116.57 114.91 2wb1 h LYS 669 Ca -0.00 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2wb1 h LYS 669 Cb 0.86 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2wb1 h LYS 669 CO 0.06 0.66 -0.15 -0.39 -0.57 0.00 0.00 179.45 179.06 2wb1 h VAL 670 N 0.11 0.79 0.00 0.50 -1.51 -1.50 0.24 116.25 114.89 2wb1 h VAL 670 Ca 0.05 -0.57 -0.03 0.00 -1.23 0.00 0.00 66.70 64.91 2wb1 h VAL 670 Cb 0.52 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2wb1 h VAL 670 CO 0.02 0.14 -0.16 -0.08 -1.23 0.00 0.00 177.57 176.27 2wb1 h GLU 671 N 0.00 0.00 0.07 5.19 4.81 -1.52 -2.50 114.58 120.64 2wb1 h GLU 671 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2wb1 h GLU 671 Cb 0.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2wb1 h GLU 671 CO 0.02 0.16 -2.06 0.28 -0.73 0.00 0.00 179.01 176.68 2wb1 n VAL 672 N -3.38 1.68 0.48 0.32 0.31 -0.55 -4.15 118.33 113.03 2wb1 n VAL 672 Ca -0.00 -0.68 -0.20 0.00 -0.01 0.00 0.00 64.34 63.45 2wb1 n VAL 672 Cb 0.36 -1.47 -0.10 0.00 -0.91 0.00 0.00 33.84 31.73 2wb1 n VAL 672 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wb1 h ASP 673 N 0.04 -1.04 0.15 4.52 3.32 -0.40 0.39 116.42 123.40 2wb1 h ASP 673 Ca -0.43 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2wb1 h ASP 673 Cb 2.02 0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.84 2wb1 h ASP 673 CO 0.05 -0.73 0.00 -0.46 -1.72 0.00 0.00 179.24 176.38 2wb1 n ASN 674 N -5.61 0.00 0.02 6.45 0.23 -0.96 -0.61 115.26 114.79 2wb1 n ASN 674 Ca -0.16 -0.33 -0.02 0.00 -0.53 0.00 0.00 54.58 53.55 2wb1 n ASN 674 Cb 0.49 -0.12 -0.09 0.00 -2.08 0.00 0.00 39.78 37.97 2wb1 n ASN 674 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2wb1 h LEU 675 N 0.00 0.00 0.07 -4.53 6.46 -1.55 -3.24 115.31 112.52 2wb1 h LEU 675 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2wb1 h LEU 675 Cb 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2wb1 h LEU 675 CO 0.00 0.66 -0.03 0.40 -0.62 0.00 0.00 178.44 178.85 2wb1 h ILE 676 N 0.00 1.17 0.00 4.05 1.08 0.13 -3.11 117.51 120.84 2wb1 h ILE 676 Ca -0.18 -0.88 -0.02 0.00 -0.39 0.00 0.00 64.86 63.39 2wb1 h ILE 676 Cb 1.66 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 37.15 2wb1 h ILE 676 CO 0.05 0.22 -0.10 1.56 -0.69 0.00 0.00 178.15 179.19 2wb1 h GLN 677 N -0.49 0.00 0.16 2.37 4.20 -1.69 -2.55 115.11 117.11 2wb1 h GLN 677 Ca -0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2wb1 h GLN 677 Cb 0.43 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 2wb1 h GLN 677 CO 0.02 0.10 -0.34 0.87 -0.67 0.00 0.00 178.83 178.81 2wb1 h LYS 678 N 0.00 -0.57 -1.00 1.46 1.57 -1.57 -0.85 116.57 115.62 2wb1 h LYS 678 Ca -0.00 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2wb1 h LYS 678 Cb 0.54 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 2wb1 h LYS 678 CO 0.01 -0.38 0.64 -0.92 -0.57 0.00 0.00 179.45 178.24 2wb1 h TYR 679 N -0.59 1.19 0.00 -1.35 3.20 -1.43 -2.25 116.97 115.74 2wb1 h TYR 679 Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2wb1 h TYR 679 Cb 0.60 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 2wb1 h TYR 679 CO -0.28 0.61 -0.05 0.87 -1.64 0.00 0.00 178.16 177.68 2wb1 h LYS 680 N 1.16 0.00 0.00 1.82 1.57 -1.01 -3.44 116.57 116.68 2wb1 h LYS 680 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2wb1 h LYS 680 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wb1 h LYS 680 CO -0.18 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 178.84 2wb1 n ASN 681 N -3.41 0.00 -0.00 0.86 3.02 -0.38 -5.03 115.26 110.31 2wb1 n ASN 681 Ca -0.02 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.59 2wb1 n ASN 681 Cb 0.17 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 2wb1 n ASN 681 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 682 N 5.00 -0.23 1.02 7.41 0.00 -1.26 -4.45 105.19 112.68 2wb1 n GLY 682 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2wb1 n GLY 682 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wb1 n GLU 683 N -1.31 0.68 -0.31 1.61 0.28 -1.25 -4.66 120.64 115.68 2wb1 n GLU 683 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.09 2wb1 n GLU 683 Cb 0.20 -1.16 0.15 0.00 1.43 0.00 0.00 31.44 32.06 2wb1 n GLU 683 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2wb1 n LEU 684 N 0.69 -0.26 -2.45 -1.84 4.77 -1.15 -4.59 117.00 112.18 2wb1 n LEU 684 Ca 0.00 1.47 -0.05 0.00 -0.03 0.00 0.00 56.01 57.39 2wb1 n LEU 684 Cb 0.34 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2wb1 n LEU 684 CO 0.00 -1.43 0.04 -0.62 -1.33 0.00 0.00 177.39 174.05 2wb1 n GLU 685 N -5.36 -1.65 -3.22 3.23 1.02 -1.26 -4.28 120.64 109.12 2wb1 n GLU 685 Ca 0.15 1.63 -0.39 0.00 -0.02 0.00 0.00 57.16 58.53 2wb1 n GLU 685 Cb 0.48 -4.43 -0.06 0.00 -0.02 0.00 0.00 31.44 27.41 2wb1 n GLU 685 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 686 N -2.15 4.35 -0.26 3.49 0.04 -1.26 -4.86 135.00 134.34 2wb1 s PRO 686 Ca 0.17 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 2wb1 s PRO 686 Cb -0.05 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 2wb1 s PRO 686 CO 0.54 0.20 0.22 0.42 0.04 0.00 0.00 177.00 178.42 2wb1 s ILE 687 N 0.41 5.30 -1.67 0.56 1.01 -1.26 -4.98 121.20 120.57 2wb1 s ILE 687 Ca 0.30 0.26 0.19 0.00 0.00 0.00 0.00 60.65 61.40 2wb1 s ILE 687 Cb -0.17 -3.55 0.43 0.00 0.01 0.00 0.00 42.46 39.17 2wb1 s ILE 687 CO 0.14 0.27 1.57 -0.81 0.00 0.00 0.00 174.94 176.11 2wb1 n PRO 688 N 4.82 0.41 -0.33 2.79 -0.04 -1.26 -3.64 135.00 137.75 2wb1 n PRO 688 Ca -0.13 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2wb1 n PRO 688 Cb 0.52 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 2wb1 n PRO 688 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wb1 h GLY 689 N 3.09 1.29 0.00 0.55 0.00 -2.05 -3.46 103.07 102.50 2wb1 h GLY 689 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2wb1 h GLY 689 CO 0.00 0.41 0.00 -2.13 0.00 0.00 0.00 176.54 174.82 2wb1 n ARG 690 N -4.49 0.00 -3.36 4.80 3.00 -1.24 -5.17 116.66 110.21 2wb1 n ARG 690 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.70 2wb1 n ARG 690 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.50 2wb1 n ARG 690 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2wb1 s THR 691 N 2.32 5.09 0.20 5.15 2.01 -1.26 -5.00 115.64 124.14 2wb1 s THR 691 Ca 0.00 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.75 2wb1 s THR 691 Cb 0.00 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.58 2wb1 s THR 691 CO 0.00 -0.49 1.45 -0.07 -0.69 0.00 0.00 174.62 174.82 2wb1 h LEU 692 N 1.04 0.16 -0.41 4.42 4.07 -2.00 -2.51 115.31 120.08 2wb1 h LEU 692 Ca -0.49 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.35 2wb1 h LEU 692 Cb 1.21 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2wb1 h LEU 692 CO 0.63 0.88 -0.05 -0.62 -1.08 0.00 0.00 178.44 178.20 2wb1 n GLU 693 N -3.69 1.09 0.00 1.13 1.02 -1.26 -3.92 120.64 115.01 2wb1 n GLU 693 Ca -0.02 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 2wb1 n GLU 693 Cb 0.75 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2wb1 n GLU 693 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2wb1 n GLU 694 N -0.60 2.43 0.19 3.49 2.13 -1.22 -4.35 120.64 122.71 2wb1 n GLU 694 Ca 0.18 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.05 2wb1 n GLU 694 Cb 0.26 -0.77 0.40 0.00 0.27 0.00 0.00 31.44 31.59 2wb1 n GLU 694 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2wb1 h SER 695 N 0.00 0.00 -0.77 4.31 4.64 -1.57 -2.21 113.55 117.95 2wb1 h SER 695 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2wb1 h SER 695 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2wb1 h SER 695 CO 0.00 0.35 0.48 0.25 -0.87 0.00 0.00 176.83 177.04 2wb1 h LEU 696 N 0.00 0.78 0.18 5.97 7.12 -1.77 -2.30 115.31 125.29 2wb1 h LEU 696 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2wb1 h LEU 696 Cb 0.67 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2wb1 h LEU 696 CO 0.05 0.53 -0.09 -0.33 -0.13 0.00 0.00 178.44 178.47 2wb1 h GLU 697 N 0.93 -0.23 -0.89 1.25 4.39 -1.63 -2.90 114.58 115.49 2wb1 h GLU 697 Ca 0.32 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.16 2wb1 h GLU 697 Cb 0.06 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.67 2wb1 h GLU 697 CO -0.13 0.08 0.51 -0.97 -1.16 0.00 0.00 179.01 177.34 2wb1 h ASN 698 N -0.55 0.69 -0.97 1.42 -1.24 -1.38 0.12 115.58 113.68 2wb1 h ASN 698 Ca -0.02 0.07 0.08 0.00 0.71 0.00 0.00 56.30 57.13 2wb1 h ASN 698 Cb 0.41 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.34 2wb1 h ASN 698 CO 0.04 0.34 0.62 1.88 -1.29 0.00 0.00 177.43 179.01 2wb1 h TYR 699 N 0.77 1.14 0.00 0.67 0.99 -1.39 -0.07 116.97 119.08 2wb1 h TYR 699 Ca 0.47 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 61.09 2wb1 h TYR 699 Cb 0.56 -0.37 -0.02 0.00 1.00 0.00 0.00 36.73 37.90 2wb1 h TYR 699 CO -0.05 0.56 -0.63 0.82 -0.00 0.00 0.00 178.16 178.85 2wb1 h ILE 700 N 1.09 1.22 0.14 -2.88 2.04 -0.73 -2.27 117.51 116.12 2wb1 h ILE 700 Ca 0.43 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 2wb1 h ILE 700 Cb 0.23 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2wb1 h ILE 700 CO -0.19 0.62 -0.07 -0.07 0.00 0.00 0.00 178.15 178.44 2wb1 h LEU 701 N 0.00 -0.16 0.25 1.44 3.38 0.01 -2.61 115.31 117.61 2wb1 h LEU 701 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2wb1 h LEU 701 Cb 1.32 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 2wb1 h LEU 701 CO 0.08 0.31 -0.51 -0.78 0.09 0.00 0.00 178.44 177.63 2wb1 h ASP 702 N -0.69 -1.48 -0.81 -0.43 -0.00 -1.10 0.16 116.42 112.08 2wb1 h ASP 702 Ca -0.02 0.14 0.18 0.00 -0.00 0.00 0.00 57.03 57.33 2wb1 h ASP 702 Cb 0.50 0.53 -0.15 0.00 -0.00 0.00 0.00 39.33 40.21 2wb1 h ASP 702 CO 0.03 -0.59 -0.10 0.74 -0.00 0.00 0.00 179.24 179.32 2wb1 h THR 703 N -0.83 0.23 -0.14 2.25 2.02 -1.51 0.56 112.91 115.48 2wb1 h THR 703 Ca -0.02 -0.01 -0.22 0.00 0.77 0.00 0.00 66.41 66.92 2wb1 h THR 703 Cb 0.79 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2wb1 h THR 703 CO -0.21 0.01 -0.79 -0.07 0.37 0.00 0.00 175.52 174.83 2wb1 h LEU 704 N 0.04 0.91 -0.58 2.58 3.38 -1.15 -0.27 115.31 120.22 2wb1 h LEU 704 Ca 0.42 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2wb1 h LEU 704 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2wb1 h LEU 704 CO -0.78 1.40 0.31 -0.78 0.09 0.00 0.00 178.44 178.68 2wb1 h ASP 705 N 0.52 0.73 0.09 -0.43 -0.00 0.57 -2.43 116.42 115.47 2wb1 h ASP 705 Ca -0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 2wb1 h ASP 705 Cb 1.42 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 40.56 2wb1 h ASP 705 CO 0.16 0.62 -0.07 0.11 -0.00 0.00 0.00 179.24 180.06 2wb1 h LYS 706 N 0.78 -0.16 -1.60 0.28 1.79 0.13 -3.04 116.57 114.76 2wb1 h LYS 706 Ca 0.20 0.01 -0.38 0.00 -2.18 0.00 0.00 60.65 58.30 2wb1 h LYS 706 Cb 0.06 0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 30.59 2wb1 h LYS 706 CO -0.03 -0.10 0.44 1.28 -1.08 0.00 0.00 179.45 179.95 2wb1 n LEU 707 N -5.18 6.54 0.00 2.94 4.77 -0.12 -2.92 117.00 123.04 2wb1 n LEU 707 Ca -0.07 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.37 2wb1 n LEU 707 Cb 0.11 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2wb1 n LEU 707 CO 0.32 1.36 -0.23 -2.11 -1.33 0.00 0.00 177.39 175.40 2wb1 n ARG 708 N 0.40 0.29 0.02 3.23 -4.01 -0.93 -4.73 116.66 110.93 2wb1 n ARG 708 Ca 0.36 0.00 -0.01 0.00 -1.04 0.00 0.00 57.85 57.16 2wb1 n ARG 708 Cb 0.58 -0.73 0.26 0.00 -3.04 0.00 0.00 32.46 29.53 2wb1 n ARG 708 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 2wb1 h SER 709 N 0.00 0.46 -0.97 2.89 4.64 -1.48 -0.99 113.55 118.10 2wb1 h SER 709 Ca 0.00 -0.12 0.14 0.00 -0.47 0.00 0.00 61.79 61.35 2wb1 h SER 709 Cb 0.46 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 2wb1 h SER 709 CO 0.00 0.62 0.61 0.74 -0.87 0.00 0.00 176.83 177.93 2wb1 h THR 710 N 0.44 0.85 -0.13 2.95 2.02 -1.82 0.50 112.91 117.72 2wb1 h THR 710 Ca 0.08 -0.29 -0.19 0.00 0.77 0.00 0.00 66.41 66.79 2wb1 h THR 710 Cb 0.48 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2wb1 h THR 710 CO 0.03 0.15 -0.69 0.00 0.37 0.00 0.00 175.52 175.38 2wb1 h ALA 711 N 1.58 0.56 -0.47 6.16 0.00 -1.51 -2.26 119.26 123.31 2wb1 h ALA 711 Ca 0.50 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wb1 h ALA 711 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2wb1 h ALA 711 CO -0.27 0.73 0.30 0.78 0.00 0.00 0.00 179.25 180.79 2wb1 h GLY 712 N 1.06 0.68 0.31 0.00 0.00 -0.22 -2.76 103.07 102.14 2wb1 h GLY 712 Ca -0.02 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.12 2wb1 h GLY 712 CO 0.13 0.26 -0.02 -0.55 0.00 0.00 0.00 176.54 176.36 2wb1 h ASP 713 N 0.64 -0.20 0.55 0.19 5.19 0.23 -1.69 116.42 121.33 2wb1 h ASP 713 Ca 0.17 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 2wb1 h ASP 713 Cb -0.04 0.18 0.01 0.00 0.18 0.00 0.00 39.33 39.66 2wb1 h ASP 713 CO -0.03 -0.06 -0.27 0.40 -3.12 0.00 0.00 179.24 176.16 2wb1 h ILE 714 N 0.09 0.46 0.00 0.35 2.04 -1.39 -2.89 117.51 116.17 2wb1 h ILE 714 Ca 0.20 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2wb1 h ILE 714 Cb 0.29 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wb1 h ILE 714 CO -0.35 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.80 2wb1 n ALA 715 N -2.42 1.51 0.69 1.87 0.00 -0.96 -0.64 120.51 120.57 2wb1 n ALA 715 Ca -0.12 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.38 2wb1 n ALA 715 Cb 0.31 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 2wb1 n ALA 715 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wb1 n SER 716 N -1.26 0.76 0.00 0.00 7.64 -0.68 -3.80 113.62 116.29 2wb1 n SER 716 Ca 0.03 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.20 2wb1 n SER 716 Cb 0.05 1.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 2wb1 n SER 716 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wb1 n LYS 717 N -1.68 2.95 -0.21 1.43 4.01 -0.87 -4.55 118.16 119.23 2wb1 n LYS 717 Ca 0.02 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.84 2wb1 n LYS 717 Cb 0.37 -0.98 0.10 0.00 -0.51 0.00 0.00 35.03 34.02 2wb1 n LYS 717 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2wb1 n TYR 718 N -1.81 0.49 -3.74 2.13 4.02 0.19 -4.80 117.16 113.64 2wb1 n TYR 718 Ca 0.00 -0.17 -0.13 0.00 -0.01 0.00 0.00 57.90 57.59 2wb1 n TYR 718 Cb 0.36 -0.18 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 2wb1 n TYR 718 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2wb1 s LEU 719 N -0.73 0.53 -0.55 7.72 0.20 -1.25 -4.92 118.68 119.68 2wb1 s LEU 719 Ca 0.13 0.73 -0.39 0.00 0.69 0.00 0.00 54.13 55.30 2wb1 s LEU 719 Cb 0.10 1.22 -0.17 0.00 -0.43 0.00 0.00 46.19 46.90 2wb1 s LEU 719 CO 0.05 -0.14 2.26 -0.67 -0.29 0.00 0.00 176.35 177.56 2wb1 n ASP 720 N 3.12 1.04 0.00 3.68 -0.08 -1.26 -4.72 116.55 118.34 2wb1 n ASP 720 Ca -0.15 0.49 0.03 0.00 -1.51 0.00 0.00 54.79 53.65 2wb1 n ASP 720 Cb 0.57 -1.01 0.20 0.00 2.34 0.00 0.00 41.12 43.22 2wb1 n ASP 720 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2wb1 n PRO 721 N 7.89 0.20 0.00 -0.67 -0.02 -1.26 -2.92 135.00 138.22 2wb1 n PRO 721 Ca 0.53 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2wb1 n PRO 721 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2wb1 n PRO 721 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wb1 n PHE 722 N -1.02 0.00 -1.22 6.00 3.01 -1.26 -4.63 117.46 118.34 2wb1 n PHE 722 Ca 0.05 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.22 2wb1 n PHE 722 Cb 0.03 0.00 0.15 0.00 -0.01 0.00 0.00 39.48 39.65 2wb1 n PHE 722 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wb1 s ASN 723 N -0.19 3.09 0.10 4.37 4.22 -1.15 -4.71 114.94 120.67 2wb1 s ASN 723 Ca 0.00 1.31 -0.24 0.00 -2.14 0.00 0.00 52.86 51.78 2wb1 s ASN 723 Cb 0.00 -1.98 -0.11 0.00 1.28 0.00 0.00 41.25 40.44 2wb1 s ASN 723 CO 0.00 -2.86 1.70 -0.26 -2.04 0.00 0.00 177.10 173.64 2wb1 h PHE 724 N -1.70 -0.28 -0.23 1.54 -1.00 -1.92 0.17 116.94 113.52 2wb1 h PHE 724 Ca -0.52 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.22 2wb1 h PHE 724 Cb 1.31 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 2wb1 h PHE 724 CO 0.35 -0.17 -0.06 0.00 -1.61 0.00 0.00 178.31 176.83 2wb1 h ALA 725 N 0.69 1.48 0.00 2.45 0.00 -1.92 0.14 119.26 122.11 2wb1 h ALA 725 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2wb1 h ALA 725 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2wb1 h ALA 725 CO -0.06 0.37 -1.08 -0.92 0.00 0.00 0.00 179.25 177.56 2wb1 h TYR 726 N 0.34 0.00 -0.20 0.00 5.03 -1.79 -2.97 116.97 117.38 2wb1 h TYR 726 Ca 0.07 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.21 2wb1 h TYR 726 Cb 0.32 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 2wb1 h TYR 726 CO 0.01 0.95 -0.60 0.28 -1.32 0.00 0.00 178.16 177.48 2wb1 h VAL 727 N 0.00 1.31 -0.39 1.81 2.07 -0.15 -3.16 116.25 117.75 2wb1 h VAL 727 Ca -0.06 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 65.70 2wb1 h VAL 727 Cb 1.77 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 33.25 2wb1 h VAL 727 CO 0.11 0.58 -0.33 -0.03 0.02 0.00 0.00 177.57 177.92 2wb1 h MET 728 N 0.49 -0.26 -6.91 1.57 4.05 -0.69 -3.10 114.93 110.08 2wb1 h MET 728 Ca -0.00 0.02 -0.52 0.00 -0.28 0.00 0.00 59.70 58.92 2wb1 h MET 728 Cb 1.17 0.06 0.06 0.00 -0.80 0.00 0.00 31.60 32.09 2wb1 h MET 728 CO 0.12 -0.17 0.57 0.00 0.23 0.00 0.00 176.91 177.66 2wb1 s ALA 729 N -5.98 3.31 0.00 0.39 0.00 -1.13 -3.13 121.76 115.21 2wb1 s ALA 729 Ca -0.15 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2wb1 s ALA 729 Cb 0.13 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2wb1 s ALA 729 CO 0.67 -0.62 0.00 0.54 0.00 0.00 0.00 175.76 176.36 2wb1 n ARG 730 N 0.40 0.00 -3.65 0.00 1.74 -1.26 -4.82 116.66 109.07 2wb1 n ARG 730 Ca 0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 2wb1 n ARG 730 Cb 0.44 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.79 2wb1 n ARG 730 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wb1 s THR 731 N -0.55 3.93 0.00 0.55 -4.23 -1.17 -3.26 115.64 110.92 2wb1 s THR 731 Ca 0.00 -2.45 0.00 0.00 -1.18 0.00 0.00 61.69 58.06 2wb1 s THR 731 Cb 0.00 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2wb1 s THR 731 CO 0.00 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 2wb1 n GLY 732 N 4.10 0.00 0.00 3.99 0.00 -1.26 -4.68 105.19 107.34 2wb1 n GLY 732 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wb1 n GLY 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 n ALA 733 N 0.12 0.00 -0.02 4.61 0.00 -1.26 -3.69 120.51 120.27 2wb1 n ALA 733 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 733 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 733 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wb1 n ARG 734 N 0.00 0.00 -0.03 0.00 1.74 -1.26 -4.16 116.66 112.96 2wb1 n ARG 734 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 2wb1 n ARG 734 Cb 0.00 -0.02 -0.01 0.00 -1.02 0.00 0.00 32.46 31.41 2wb1 n ARG 734 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 735 N 0.09 -0.37 2.34 -0.13 0.00 -1.24 -4.80 105.19 101.08 2wb1 n GLY 735 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2wb1 n GLY 735 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wb1 n SER 736 N -3.36 -4.96 0.00 1.61 2.88 -1.26 -4.74 113.62 103.79 2wb1 n SER 736 Ca -0.05 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2wb1 n SER 736 Cb 0.19 -4.04 0.00 0.00 -0.75 0.00 0.00 64.21 59.61 2wb1 n SER 736 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2wb1 n VAL 737 N -3.85 0.00 1.26 2.46 0.24 -1.26 -1.47 118.33 115.71 2wb1 n VAL 737 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2wb1 n VAL 737 Cb 0.64 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.02 2wb1 n VAL 737 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wb1 n LEU 738 N 0.00 0.00 -0.91 1.34 7.99 -1.26 0.77 117.00 124.93 2wb1 n LEU 738 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.12 2wb1 n LEU 738 Cb 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.40 2wb1 n LEU 738 CO 0.00 0.00 0.60 -0.46 -1.51 0.00 0.00 177.39 176.02 2wb1 n ASN 739 N -0.51 2.91 -0.01 -1.43 6.94 -0.55 -3.76 115.26 118.85 2wb1 n ASN 739 Ca 0.00 -1.95 -0.16 0.00 -0.02 0.00 0.00 54.58 52.45 2wb1 n ASN 739 Cb 0.00 0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 37.40 2wb1 n ASN 739 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wb1 h ILE 740 N 4.49 1.29 -0.39 1.53 1.08 0.13 -3.13 117.51 122.52 2wb1 h ILE 740 Ca 0.00 -2.01 0.08 0.00 -0.39 0.00 0.00 64.86 62.54 2wb1 h ILE 740 Cb 0.97 2.01 -0.08 0.00 -3.07 0.00 0.00 36.82 36.65 2wb1 h ILE 740 CO 0.00 0.63 -0.16 0.74 -0.69 0.00 0.00 178.15 178.67 2wb1 h THR 741 N 0.49 0.49 -0.86 -0.27 2.02 -1.65 0.54 112.91 113.67 2wb1 h THR 741 Ca -0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.21 2wb1 h THR 741 Cb 1.40 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.23 2wb1 h THR 741 CO 0.16 0.00 0.52 1.56 0.37 0.00 0.00 175.52 178.13 2wb1 h GLN 742 N -0.08 0.89 -0.07 6.66 4.20 -1.62 -0.17 115.11 124.91 2wb1 h GLN 742 Ca 0.19 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.64 2wb1 h GLN 742 Cb 0.38 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2wb1 h GLN 742 CO -0.44 0.59 -0.81 0.52 -0.67 0.00 0.00 178.83 178.02 2wb1 h MET 743 N 0.91 0.49 0.00 1.46 2.86 -1.29 -2.58 114.93 116.79 2wb1 h MET 743 Ca 0.40 -0.44 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 2wb1 h MET 743 Cb 0.27 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2wb1 h MET 743 CO -0.21 1.07 -1.21 0.00 1.06 0.00 0.00 176.91 177.62 2wb1 n ALA 744 N -2.54 0.78 -0.08 6.32 0.00 0.18 -2.58 120.51 122.59 2wb1 n ALA 744 Ca -0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 2wb1 n ALA 744 Cb 0.76 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 2wb1 n ALA 744 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 n ALA 745 N -3.91 1.16 -3.50 0.00 0.00 -0.12 -4.74 120.51 109.39 2wb1 n ALA 745 Ca -0.24 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.33 2wb1 n ALA 745 Cb 0.55 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 2wb1 n ALA 745 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 s MET 746 N -2.75 1.06 0.04 0.00 0.00 -0.96 -3.71 119.30 112.97 2wb1 s MET 746 Ca -0.27 -0.42 0.13 0.00 0.00 0.00 0.00 55.69 55.13 2wb1 s MET 746 Cb 0.05 0.47 -0.17 0.00 0.00 0.00 0.00 34.83 35.18 2wb1 s MET 746 CO 0.39 -0.47 0.86 -0.07 0.00 0.00 0.00 175.02 175.74 2wb1 h LEU 747 N 2.00 0.00 -0.03 0.18 3.38 -1.41 -3.22 115.31 116.21 2wb1 h LEU 747 Ca -0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2wb1 h LEU 747 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2wb1 h LEU 747 CO 0.33 0.81 -0.05 0.61 0.09 0.00 0.00 178.44 180.23 2wb1 n GLY 748 N 1.45 -1.62 3.59 0.83 0.00 -0.86 -4.79 105.19 103.79 2wb1 n GLY 748 Ca -0.11 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2wb1 n GLY 748 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wb1 s GLN 749 N -1.54 3.01 0.22 1.61 2.00 -1.26 -2.85 119.66 120.85 2wb1 s GLN 749 Ca 0.00 1.77 -0.30 0.00 -2.00 0.00 0.00 55.36 54.83 2wb1 s GLN 749 Cb 0.00 -4.37 -0.08 0.00 0.80 0.00 0.00 33.01 29.36 2wb1 s GLN 749 CO 0.00 -2.24 1.16 -0.65 -0.50 0.00 0.00 175.29 173.06 2wb1 s GLN 750 N 6.49 4.54 -0.10 1.67 -1.52 -1.11 -4.92 119.66 124.71 2wb1 s GLN 750 Ca 0.95 1.85 -0.12 0.00 -1.95 0.00 0.00 55.36 56.08 2wb1 s GLN 750 Cb -0.28 -3.23 0.03 0.00 -0.22 0.00 0.00 33.01 29.32 2wb1 s GLN 750 CO 0.33 0.01 0.33 -1.54 -0.25 0.00 0.00 175.29 174.17 2wb1 s SER 751 N -0.20 -0.31 -0.07 5.90 1.04 -1.26 -4.15 113.70 114.64 2wb1 s SER 751 Ca 0.50 0.55 -0.12 0.00 0.48 0.00 0.00 55.95 57.36 2wb1 s SER 751 Cb -0.32 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 2wb1 s SER 751 CO 0.38 -0.18 0.30 0.68 0.98 0.00 0.00 173.24 175.41 2wb1 s VAL 752 N -0.11 5.23 -0.15 5.02 -7.23 -1.13 -4.68 120.40 117.36 2wb1 s VAL 752 Ca -0.03 0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 60.71 2wb1 s VAL 752 Cb -0.03 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.31 2wb1 s VAL 752 CO 0.01 0.55 0.06 0.54 -0.31 0.00 0.00 175.10 175.94 2wb1 n ARG 753 N 2.28 -0.98 0.00 4.82 1.74 -1.26 -2.20 116.66 121.06 2wb1 n ARG 753 Ca -0.15 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 2wb1 n ARG 753 Cb 0.53 0.32 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 2wb1 n ARG 753 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 754 N -1.09 2.89 3.97 -0.13 0.00 -1.26 -5.03 105.19 104.53 2wb1 n GLY 754 Ca -0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2wb1 n GLY 754 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 755 N 0.00 3.26 1.08 1.61 2.02 -0.94 -5.05 118.70 120.69 2wb1 s GLU 755 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 2wb1 s GLU 755 Cb 0.00 -2.74 0.22 0.00 0.10 0.00 0.00 34.13 31.71 2wb1 s GLU 755 CO 0.00 0.08 0.97 0.54 0.02 0.00 0.00 175.26 176.87 2wb1 n ARG 756 N -1.73 -1.70 -2.30 1.61 1.74 -1.26 -2.85 116.66 110.18 2wb1 n ARG 756 Ca -0.03 -0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 56.17 2wb1 n ARG 756 Cb 0.57 -2.19 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 2wb1 n ARG 756 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wb1 s ILE 757 N -2.47 3.86 0.00 0.55 1.01 -0.51 -4.67 121.20 118.98 2wb1 s ILE 757 Ca 0.67 0.89 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2wb1 s ILE 757 Cb -0.24 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2wb1 s ILE 757 CO 0.63 -0.66 0.00 0.29 0.00 0.00 0.00 174.94 175.20 2wb1 n LYS 758 N 8.02 1.94 -1.59 2.79 5.02 -1.26 -4.51 118.16 128.56 2wb1 n LYS 758 Ca 0.17 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.02 2wb1 n LYS 758 Cb 0.47 -0.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.54 2wb1 n LYS 758 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wb1 n ARG 759 N -1.98 1.97 0.00 1.97 1.74 -1.26 -4.24 116.66 114.87 2wb1 n ARG 759 Ca 0.00 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2wb1 n ARG 759 Cb 0.41 -3.05 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 2wb1 n ARG 759 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 760 N 5.62 -0.75 3.66 -0.13 0.00 -1.26 -4.89 105.19 107.43 2wb1 n GLY 760 Ca 0.30 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2wb1 n GLY 760 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wb1 n TYR 761 N 2.19 1.08 0.17 1.61 4.01 -1.09 -4.85 117.16 120.29 2wb1 n TYR 761 Ca 0.00 0.40 0.19 0.00 -0.16 0.00 0.00 57.90 58.33 2wb1 n TYR 761 Cb 0.00 -2.13 0.77 0.00 -0.31 0.00 0.00 39.34 37.67 2wb1 n TYR 761 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 2wb1 h MET 762 N -0.17 0.00 0.00 -0.72 2.86 -1.95 -3.19 114.93 111.76 2wb1 h MET 762 Ca -0.48 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.92 2wb1 h MET 762 Cb 1.33 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 2wb1 h MET 762 CO 0.48 0.00 -1.82 2.41 1.06 0.00 0.00 176.91 179.04 2wb1 n THR 763 N -3.47 0.81 -4.24 2.22 -1.04 -1.26 -5.04 114.28 102.26 2wb1 n THR 763 Ca 0.04 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.70 2wb1 n THR 763 Cb 0.53 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.33 2wb1 n THR 763 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wb1 s ARG 764 N -2.27 1.04 0.01 -2.82 3.00 -1.20 -3.54 118.95 113.17 2wb1 s ARG 764 Ca -0.20 -1.46 -0.08 0.00 0.00 0.00 0.00 55.73 53.99 2wb1 s ARG 764 Cb 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 34.95 34.51 2wb1 s ARG 764 CO 0.27 0.01 0.92 1.15 0.00 0.00 0.00 175.30 177.64 2wb1 h THR 765 N 2.78 0.00 -2.31 0.02 2.02 -1.77 -2.88 112.91 110.77 2wb1 h THR 765 Ca -0.36 -0.05 -0.46 0.00 0.77 0.00 0.00 66.41 66.31 2wb1 h THR 765 Cb 1.19 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2wb1 h THR 765 CO 0.64 0.00 -0.32 -0.76 0.37 0.00 0.00 175.52 175.45 2wb1 s LEU 766 N -5.48 4.10 0.00 2.58 2.01 -1.26 -3.11 118.68 117.52 2wb1 s LEU 766 Ca -0.04 0.13 0.24 0.00 0.01 0.00 0.00 54.13 54.47 2wb1 s LEU 766 Cb 0.00 -2.98 1.36 0.00 0.01 0.00 0.00 46.19 44.59 2wb1 s LEU 766 CO 0.12 -0.27 1.82 -0.81 1.01 0.00 0.00 176.35 178.22 2wb1 n PRO 767 N -1.62 0.58 0.00 1.29 -0.04 -1.26 -3.45 135.00 130.50 2wb1 n PRO 767 Ca -0.05 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2wb1 n PRO 767 Cb 0.57 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.80 2wb1 n PRO 767 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wb1 n HIS 768 N -1.13 0.00 -4.30 0.54 8.25 -1.26 -4.88 115.22 112.44 2wb1 n HIS 768 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 2wb1 n HIS 768 Cb 0.13 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.11 2wb1 n HIS 768 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wb1 s PHE 769 N -2.28 3.09 0.39 4.41 0.40 -1.22 -5.08 117.98 117.68 2wb1 s PHE 769 Ca 0.27 0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.42 2wb1 s PHE 769 Cb 0.20 -1.69 -0.10 0.00 0.51 0.00 0.00 43.02 41.94 2wb1 s PHE 769 CO 0.45 0.46 1.43 0.15 0.70 0.00 0.00 175.22 178.41 2wb1 s LYS 770 N -1.46 4.05 -0.13 0.44 1.02 -1.26 -4.84 119.74 117.56 2wb1 s LYS 770 Ca 0.19 2.46 -0.34 0.00 0.02 0.00 0.00 55.97 58.30 2wb1 s LYS 770 Cb -0.11 -2.91 -0.11 0.00 -0.52 0.00 0.00 37.83 34.17 2wb1 s LYS 770 CO 0.09 -0.53 1.94 -2.30 -0.92 0.00 0.00 175.35 173.62 2wb1 n PRO 771 N 0.36 2.03 -0.50 -1.68 -0.02 -1.26 -1.75 135.00 132.18 2wb1 n PRO 771 Ca 0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2wb1 n PRO 771 Cb 0.40 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2wb1 n PRO 771 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wb1 n TYR 772 N 7.31 0.00 -2.20 6.00 4.01 -1.23 -5.01 117.16 126.03 2wb1 n TYR 772 Ca 0.25 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.60 2wb1 n TYR 772 Cb 0.29 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 39.08 2wb1 n TYR 772 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2wb1 s ASP 773 N -2.46 6.48 0.00 7.72 3.68 -0.72 -4.91 116.67 126.46 2wb1 s ASP 773 Ca 0.00 2.48 0.00 0.00 2.13 0.00 0.00 52.55 57.16 2wb1 s ASP 773 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 2wb1 s ASP 773 CO 0.00 -0.71 0.09 -0.38 0.13 0.00 0.00 175.17 174.30 2wb1 n ILE 774 N 0.18 0.00 -1.88 4.11 5.41 -1.26 -4.90 119.36 121.02 2wb1 n ILE 774 Ca 0.04 -0.14 -0.41 0.00 1.00 0.00 0.00 62.75 63.24 2wb1 n ILE 774 Cb 0.45 1.48 -0.01 0.00 -0.71 0.00 0.00 39.64 40.85 2wb1 n ILE 774 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wb1 s SER 775 N -0.09 6.46 0.19 4.38 1.04 -1.26 -4.78 113.70 119.64 2wb1 s SER 775 Ca 0.00 2.92 0.02 0.00 0.48 0.00 0.00 55.95 59.38 2wb1 s SER 775 Cb 0.00 -2.65 0.50 0.00 0.10 0.00 0.00 66.02 63.96 2wb1 s SER 775 CO 0.00 -0.80 0.94 -2.65 0.98 0.00 0.00 173.24 171.71 2wb1 n PRO 776 N 1.01 -0.05 -0.18 4.02 -0.02 -1.26 -0.71 135.00 137.82 2wb1 n PRO 776 Ca 0.03 0.89 -0.03 0.00 -2.02 0.00 0.00 63.50 62.37 2wb1 n PRO 776 Cb 0.39 -1.43 0.07 0.00 -0.02 0.00 0.00 33.50 32.52 2wb1 n PRO 776 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wb1 h GLU 777 N 0.00 0.44 0.00 -0.52 3.07 -1.90 -1.93 114.58 113.74 2wb1 h GLU 777 Ca 0.38 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.17 2wb1 h GLU 777 Cb 0.82 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2wb1 h GLU 777 CO -0.55 0.29 -0.20 0.00 -1.40 0.00 0.00 179.01 177.15 2wb1 h ALA 778 N 1.33 0.97 -0.46 3.43 0.00 -1.24 -3.27 119.26 120.01 2wb1 h ALA 778 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wb1 h ALA 778 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wb1 h ALA 778 CO -0.22 0.25 0.00 0.54 0.00 0.00 0.00 179.25 179.82 2wb1 n ARG 779 N -3.29 3.33 0.00 0.00 5.12 -0.97 -4.65 116.66 116.20 2wb1 n ARG 779 Ca 0.01 -2.67 0.00 0.00 -1.93 0.00 0.00 57.85 53.26 2wb1 n ARG 779 Cb 0.46 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2wb1 n ARG 779 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wb1 n GLY 780 N 0.52 1.84 3.67 -0.13 0.00 -1.18 -1.42 105.19 108.49 2wb1 n GLY 780 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2wb1 n GLY 780 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wb1 s PHE 781 N -1.98 2.29 -0.23 1.61 5.36 -0.77 -2.75 117.98 121.52 2wb1 s PHE 781 Ca 0.00 0.38 -0.07 0.00 -0.96 0.00 0.00 56.93 56.28 2wb1 s PHE 781 Cb 0.00 -3.86 -0.03 0.00 -0.34 0.00 0.00 43.02 38.79 2wb1 s PHE 781 CO 0.00 -3.50 0.04 0.42 -1.46 0.00 0.00 175.22 170.73 2wb1 s ILE 782 N 3.37 4.23 -0.18 3.12 1.01 -1.13 -4.39 121.20 127.22 2wb1 s ILE 782 Ca 0.71 -0.21 0.19 0.00 0.00 0.00 0.00 60.65 61.34 2wb1 s ILE 782 Cb -0.34 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2wb1 s ILE 782 CO 0.29 0.38 1.00 1.88 0.00 0.00 0.00 174.94 178.49 2wb1 h TYR 783 N 7.82 0.00 -3.26 3.97 0.05 -1.94 -2.26 116.97 121.35 2wb1 h TYR 783 Ca -0.37 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.91 2wb1 h TYR 783 Cb 1.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.93 2wb1 h TYR 783 CO 0.63 0.33 -0.05 -1.54 -1.05 0.00 0.00 178.16 176.48 2wb1 s SER 784 N -5.70 6.35 0.52 3.88 1.04 -1.26 -4.41 113.70 114.11 2wb1 s SER 784 Ca -0.01 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.22 2wb1 s SER 784 Cb 0.09 -2.16 0.04 0.00 0.10 0.00 0.00 66.02 64.08 2wb1 s SER 784 CO 0.79 -0.37 0.72 -0.94 0.98 0.00 0.00 173.24 174.41 2wb1 s SER 785 N -3.74 5.33 0.16 7.02 1.04 -1.24 -2.47 113.70 119.79 2wb1 s SER 785 Ca 0.45 -0.29 0.13 0.00 0.48 0.00 0.00 55.95 56.72 2wb1 s SER 785 Cb -0.10 -0.60 0.67 0.00 0.10 0.00 0.00 66.02 66.09 2wb1 s SER 785 CO 0.37 -1.08 1.41 0.49 0.98 0.00 0.00 173.24 175.41 2wb1 n PHE 786 N -2.18 0.40 -0.08 5.02 0.99 -0.97 -1.60 117.46 119.03 2wb1 n PHE 786 Ca 0.09 0.19 -0.17 0.00 -0.00 0.00 0.00 57.45 57.57 2wb1 n PHE 786 Cb 0.60 -0.81 -0.12 0.00 -1.00 0.00 0.00 39.48 38.15 2wb1 n PHE 786 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2wb1 h ARG 787 N 0.00 0.00 -0.63 -1.08 1.12 -1.77 -3.36 114.38 108.65 2wb1 h ARG 787 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2wb1 h ARG 787 Cb 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.02 2wb1 h ARG 787 CO 0.00 1.00 0.13 1.15 -3.11 0.00 0.00 179.97 179.14 2wb1 h THR 788 N -1.00 1.25 0.00 0.20 2.02 -1.76 -3.49 112.91 110.13 2wb1 h THR 788 Ca -0.14 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2wb1 h THR 788 Cb 1.12 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2wb1 h THR 788 CO -0.08 0.35 0.00 0.61 0.37 0.00 0.00 175.52 176.77 2wb1 n GLY 789 N -0.71 2.04 3.78 2.16 0.00 -0.63 -4.96 105.19 106.86 2wb1 n GLY 789 Ca 0.05 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 2wb1 n GLY 789 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wb1 s LEU 790 N 0.00 4.20 1.37 0.99 2.01 -1.26 -4.71 118.68 121.29 2wb1 s LEU 790 Ca 0.00 2.14 -0.23 0.00 0.01 0.00 0.00 54.13 56.05 2wb1 s LEU 790 Cb 0.00 -4.08 0.35 0.00 0.01 0.00 0.00 46.19 42.47 2wb1 s LEU 790 CO 0.00 -0.49 1.00 -0.54 1.01 0.00 0.00 176.35 177.33 2wb1 s LYS 791 N -2.31 -2.56 0.07 1.70 1.02 -1.26 -4.77 119.74 111.62 2wb1 s LYS 791 Ca 0.56 -0.07 -0.19 0.00 0.02 0.00 0.00 55.97 56.29 2wb1 s LYS 791 Cb -0.25 -1.44 -0.11 0.00 -0.52 0.00 0.00 37.83 35.51 2wb1 s LYS 791 CO 0.32 -4.59 1.44 -1.35 -0.92 0.00 0.00 175.35 170.25 2wb1 h PRO 792 N -3.21 0.41 0.00 -1.68 0.11 -2.01 -2.55 132.00 123.07 2wb1 h PRO 792 Ca -0.41 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 65.48 2wb1 h PRO 792 Cb 1.32 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2wb1 h PRO 792 CO 0.26 0.67 -0.27 1.79 -0.21 0.00 0.00 178.00 180.24 2wb1 h THR 793 N 0.12 0.85 0.00 -1.15 1.35 -2.01 -3.06 112.91 109.01 2wb1 h THR 793 Ca 0.05 -1.07 -0.15 0.00 -0.55 0.00 0.00 66.41 64.69 2wb1 h THR 793 Cb 0.53 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 2wb1 h THR 793 CO 0.02 0.26 -0.70 -0.33 -0.25 0.00 0.00 175.52 174.53 2wb1 h GLU 794 N 0.00 0.00 -0.20 4.72 5.08 -1.90 -2.42 114.58 119.86 2wb1 h GLU 794 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2wb1 h GLU 794 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2wb1 h GLU 794 CO 0.04 0.70 -0.45 1.25 -1.00 0.00 0.00 179.01 179.55 2wb1 h LEU 795 N 0.00 0.54 0.49 1.33 5.85 -1.35 -2.49 115.31 119.68 2wb1 h LEU 795 Ca -0.01 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2wb1 h LEU 795 Cb 1.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2wb1 h LEU 795 CO 0.09 0.91 -0.23 0.15 -0.34 0.00 0.00 178.44 179.02 2wb1 h PHE 796 N 0.41 -0.61 -0.46 1.25 3.57 -1.54 -2.15 116.94 117.41 2wb1 h PHE 796 Ca 0.03 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.61 2wb1 h PHE 796 Cb 0.94 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 2wb1 h PHE 796 CO 0.03 -0.29 0.32 0.74 -2.23 0.00 0.00 178.31 176.88 2wb1 h PHE 797 N -0.89 0.22 -0.23 0.41 0.05 -1.46 0.12 116.94 115.16 2wb1 h PHE 797 Ca -0.07 0.01 -0.19 0.00 3.82 0.00 0.00 57.97 61.54 2wb1 h PHE 797 Cb 0.59 -0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.47 2wb1 h PHE 797 CO 0.00 0.11 -0.61 1.25 -0.18 0.00 0.00 178.31 178.89 2wb1 h HIS 798 N 0.21 0.99 0.58 -0.55 2.76 -1.40 -2.37 115.15 115.38 2wb1 h HIS 798 Ca 0.21 -0.38 -0.03 0.00 -2.20 0.00 0.00 60.37 57.98 2wb1 h HIS 798 Cb 0.57 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.36 2wb1 h HIS 798 CO -0.00 1.19 -0.28 0.00 -1.30 0.00 0.00 177.93 177.54 2wb1 h ALA 799 N 0.73 -1.11 -1.14 5.26 0.00 -0.39 0.53 119.26 123.15 2wb1 h ALA 799 Ca -0.00 -0.17 0.32 0.00 0.00 0.00 0.00 54.91 55.05 2wb1 h ALA 799 Cb 1.20 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 2wb1 h ALA 799 CO 0.13 -1.05 0.76 0.00 0.00 0.00 0.00 179.25 179.09 2wb1 h ALA 800 N -1.57 2.62 0.06 0.00 0.00 -0.94 0.56 119.26 119.99 2wb1 h ALA 800 Ca -0.08 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2wb1 h ALA 800 Cb 0.60 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.48 2wb1 h ALA 800 CO 0.13 -1.03 -0.76 0.78 0.00 0.00 0.00 179.25 178.37 2wb1 h GLY 801 N 0.22 0.45 1.03 0.00 0.00 -1.34 -3.24 103.07 100.19 2wb1 h GLY 801 Ca 0.62 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2wb1 h GLY 801 CO -0.21 0.81 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2wb1 n GLY 802 N 1.32 -0.48 0.15 4.60 0.00 0.19 -2.46 105.19 108.51 2wb1 n GLY 802 Ca -0.12 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2wb1 n GLY 802 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wb1 h ARG 803 N 0.00 0.00 0.89 1.61 9.65 -0.91 -3.32 114.38 122.30 2wb1 h ARG 803 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2wb1 h ARG 803 Cb 0.01 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2wb1 h ARG 803 CO 0.00 0.00 -0.46 0.93 2.80 0.00 0.00 179.97 183.24 2wb1 h GLU 804 N 0.00 -1.19 -0.79 0.20 4.39 -1.70 -3.05 114.58 112.43 2wb1 h GLU 804 Ca 0.00 0.08 0.18 0.00 0.34 0.00 0.00 59.36 59.96 2wb1 h GLU 804 Cb 0.73 0.27 -0.14 0.00 -0.10 0.00 0.00 28.75 29.51 2wb1 h GLU 804 CO 0.00 -0.80 -0.08 0.78 -1.16 0.00 0.00 179.01 177.75 2wb1 h GLY 805 N -1.24 0.76 0.78 -3.84 0.00 -1.82 -0.18 103.07 97.53 2wb1 h GLY 805 Ca -0.12 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.44 2wb1 h GLY 805 CO 0.18 -0.32 0.49 1.41 0.00 0.00 0.00 176.54 178.30 2wb1 h LEU 806 N 0.05 0.79 0.00 3.11 3.38 -1.70 0.14 115.31 121.07 2wb1 h LEU 806 Ca 0.42 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2wb1 h LEU 806 Cb 0.71 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wb1 h LEU 806 CO -0.76 0.52 -0.09 0.58 0.09 0.00 0.00 178.44 178.78 2wb1 h VAL 807 N 0.93 0.00 0.01 1.22 2.07 -1.19 -3.31 116.25 115.98 2wb1 h VAL 807 Ca 0.34 -0.85 -0.26 0.00 0.82 0.00 0.00 66.70 66.75 2wb1 h VAL 807 Cb 0.11 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2wb1 h VAL 807 CO -0.15 0.00 -1.41 -0.78 0.02 0.00 0.00 177.57 175.25 2wb1 h ASP 808 N 0.00 0.02 -0.68 0.57 3.58 0.05 -2.40 116.42 117.56 2wb1 h ASP 808 Ca 0.00 -0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.48 2wb1 h ASP 808 Cb 0.92 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.91 2wb1 h ASP 808 CO 0.00 1.02 0.38 0.74 -2.88 0.00 0.00 179.24 178.50 2wb1 h THR 809 N 0.00 0.96 0.86 2.25 2.02 -0.85 -2.99 112.91 115.16 2wb1 h THR 809 Ca -0.17 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2wb1 h THR 809 Cb 1.91 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2wb1 h THR 809 CO 0.10 0.13 -0.41 0.00 0.37 0.00 0.00 175.52 175.71 2wb1 h ALA 810 N 1.36 -1.16 -2.43 6.16 0.00 -1.65 -3.43 119.26 118.10 2wb1 h ALA 810 Ca 0.31 -0.25 -0.74 0.00 0.00 0.00 0.00 54.91 54.22 2wb1 h ALA 810 Cb 0.20 0.45 -0.27 0.00 0.00 0.00 0.00 17.79 18.16 2wb1 h ALA 810 CO -0.19 -1.07 -0.29 0.08 0.00 0.00 0.00 179.25 177.78 2wb1 s VAL 811 N -5.29 4.68 0.00 0.00 1.01 -0.90 -4.34 120.40 115.56 2wb1 s VAL 811 Ca -0.17 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2wb1 s VAL 811 Cb 0.02 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2wb1 s VAL 811 CO 0.50 -0.83 0.00 -1.14 0.00 0.00 0.00 175.10 173.63 2wb1 n ARG 812 N 4.97 0.00 -0.25 2.72 0.63 -1.24 -4.60 116.66 118.88 2wb1 n ARG 812 Ca -0.09 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.85 2wb1 n ARG 812 Cb 0.41 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.45 2wb1 n ARG 812 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wb1 h THR 813 N 0.00 0.86 -0.90 5.15 2.02 -1.85 -2.81 112.91 115.39 2wb1 h THR 813 Ca 0.00 -0.21 0.15 0.00 0.77 0.00 0.00 66.41 67.12 2wb1 h THR 813 Cb 0.00 0.18 -0.15 0.00 -1.74 0.00 0.00 68.15 66.44 2wb1 h THR 813 CO 0.00 0.11 -0.32 -1.20 0.37 0.00 0.00 175.52 174.49 2wb1 n SER 814 N -4.85 -0.52 -0.05 4.18 7.64 -1.26 -1.49 113.62 117.27 2wb1 n SER 814 Ca 0.11 1.56 -0.16 0.00 1.01 0.00 0.00 58.87 61.39 2wb1 n SER 814 Cb 0.27 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 62.94 2wb1 n SER 814 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wb1 n GLN 815 N -5.36 0.69 -0.01 1.43 6.02 -1.20 -3.93 117.38 115.03 2wb1 n GLN 815 Ca 0.10 0.20 -0.17 0.00 -0.01 0.00 0.00 57.00 57.12 2wb1 n GLN 815 Cb 0.38 -1.65 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 2wb1 n GLN 815 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wb1 h SER 816 N 0.03 0.73 0.75 1.08 0.87 -1.23 0.28 113.55 116.07 2wb1 h SER 816 Ca -0.45 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.43 2wb1 h SER 816 Cb 2.03 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 2wb1 h SER 816 CO 0.03 1.30 0.00 1.23 -0.53 0.00 0.00 176.83 178.86 2wb1 h GLY 817 N 0.23 0.00 1.19 5.77 0.00 -1.49 0.43 103.07 109.20 2wb1 h GLY 817 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.95 2wb1 h GLY 817 CO 0.14 0.00 -1.56 -1.82 0.00 0.00 0.00 176.54 173.30 2wb1 h TYR 818 N 0.00 0.59 -0.14 5.60 -0.00 -1.58 -3.02 116.97 118.43 2wb1 h TYR 818 Ca 0.00 -0.43 -0.12 0.00 -0.00 0.00 0.00 58.73 58.18 2wb1 h TYR 818 Cb 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.07 2wb1 h TYR 818 CO 0.00 1.47 -0.43 1.98 -0.00 0.00 0.00 178.16 181.18 2wb1 h MET 819 N 0.09 0.34 -0.20 1.82 4.05 0.40 -2.56 114.93 118.87 2wb1 h MET 819 Ca -0.26 -0.17 0.05 0.00 -0.28 0.00 0.00 59.70 59.04 2wb1 h MET 819 Cb 2.05 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.80 2wb1 h MET 819 CO 0.18 0.71 -0.14 0.37 0.23 0.00 0.00 176.91 178.26 2wb1 h GLN 820 N 0.28 -0.14 0.00 0.39 5.75 -0.20 -1.78 115.11 119.41 2wb1 h GLN 820 Ca 0.02 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2wb1 h GLN 820 Cb 0.88 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 2wb1 h GLN 820 CO 0.07 -0.09 -0.13 -0.09 -2.65 0.00 0.00 178.83 175.94 2wb1 h ARG 821 N -0.14 0.00 0.00 1.69 2.43 -1.40 0.18 114.38 117.14 2wb1 h ARG 821 Ca 0.12 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2wb1 h ARG 821 Cb 0.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2wb1 h ARG 821 CO -0.28 0.13 -0.48 0.00 -1.51 0.00 0.00 179.97 177.83 2wb1 h ARG 822 N 0.00 0.00 0.00 0.20 3.08 -0.92 -3.06 114.38 113.68 2wb1 h ARG 822 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 2wb1 h ARG 822 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 2wb1 h ARG 822 CO 0.02 0.48 -2.07 1.47 -1.07 0.00 0.00 179.97 178.80 2wb1 n LEU 823 N -3.40 0.00 0.17 3.04 -0.00 -0.91 -3.49 117.00 112.41 2wb1 n LEU 823 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.14 2wb1 n LEU 823 Cb 0.63 0.36 0.62 0.00 -0.00 0.00 0.00 43.42 45.04 2wb1 n LEU 823 CO 0.39 0.36 0.87 -0.29 -0.00 0.00 0.00 177.39 178.73 2wb1 h ILE 824 N 0.00 0.00 0.01 1.47 2.10 -0.73 0.12 117.51 120.48 2wb1 h ILE 824 Ca -0.40 -0.08 -0.39 0.00 1.08 0.00 0.00 64.86 65.06 2wb1 h ILE 824 Cb 1.89 0.69 -0.06 0.00 -1.09 0.00 0.00 36.82 38.25 2wb1 h ILE 824 CO 0.02 0.00 -2.43 0.59 -1.08 0.00 0.00 178.15 175.26 2wb1 n ASN 825 N -2.35 1.99 0.24 2.19 3.02 -1.15 -4.13 115.26 115.07 2wb1 n ASN 825 Ca -0.01 -0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.60 2wb1 n ASN 825 Cb 0.10 -0.49 0.56 0.00 -0.61 0.00 0.00 39.78 39.34 2wb1 n ASN 825 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wb1 h ALA 826 N -0.06 1.06 -0.30 5.41 0.00 -1.38 -2.97 119.26 121.02 2wb1 h ALA 826 Ca -0.57 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2wb1 h ALA 826 Cb 1.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2wb1 h ALA 826 CO -0.10 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2wb1 n LEU 827 N -3.37 2.82 0.18 0.00 4.32 0.35 -4.76 117.00 116.54 2wb1 n LEU 827 Ca -0.00 -1.68 0.14 0.00 -0.02 0.00 0.00 56.01 54.44 2wb1 n LEU 827 Cb 0.37 -0.19 0.62 0.00 -1.62 0.00 0.00 43.42 42.59 2wb1 n LEU 827 CO 0.31 0.66 0.90 0.77 -1.22 0.00 0.00 177.39 178.82 2wb1 h SER 828 N 2.55 0.00 -0.38 -1.43 4.64 -1.68 -2.81 113.55 114.44 2wb1 h SER 828 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wb1 h SER 828 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2wb1 h SER 828 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2wb1 n ASP 829 N -2.46 3.18 -4.65 4.97 8.00 -1.26 -4.94 116.55 119.39 2wb1 n ASP 829 Ca 0.00 -1.92 -0.40 0.00 0.71 0.00 0.00 54.79 53.19 2wb1 n ASP 829 Cb 0.17 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 2wb1 n ASP 829 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wb1 s LEU 830 N -1.19 4.13 0.18 0.64 1.43 -1.06 -0.22 118.68 122.58 2wb1 s LEU 830 Ca 0.32 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 2wb1 s LEU 830 Cb 0.18 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2wb1 s LEU 830 CO 0.25 -0.25 -0.08 0.00 0.23 0.00 0.00 176.35 176.50 2wb1 s ARG 831 N 1.91 1.16 -0.42 1.70 1.70 -0.81 -4.99 118.95 119.21 2wb1 s ARG 831 Ca 0.26 -1.53 -0.21 0.00 -0.47 0.00 0.00 55.73 53.78 2wb1 s ARG 831 Cb -0.16 -0.66 0.02 0.00 -0.57 0.00 0.00 34.95 33.58 2wb1 s ARG 831 CO 0.10 0.04 0.69 0.00 -1.08 0.00 0.00 175.30 175.05 2wb1 s ALA 832 N -3.32 3.36 0.86 7.88 0.00 -1.26 -1.77 121.76 127.50 2wb1 s ALA 832 Ca 0.20 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 2wb1 s ALA 832 Cb 0.03 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.94 2wb1 s ALA 832 CO 0.03 -1.70 1.17 -1.21 0.00 0.00 0.00 175.76 174.06 2wb1 s GLU 833 N 2.95 1.56 0.57 0.00 0.41 -1.00 -4.95 118.70 118.24 2wb1 s GLU 833 Ca 0.26 0.13 0.30 0.00 -0.41 0.00 0.00 54.97 55.25 2wb1 s GLU 833 Cb -0.14 -1.90 1.75 0.00 -1.78 0.00 0.00 34.13 32.06 2wb1 s GLU 833 CO 0.19 -1.88 2.20 1.88 -0.49 0.00 0.00 175.26 177.16 2wb1 h TYR 834 N -1.27 0.00 -0.55 1.61 0.05 -1.97 -2.96 116.97 111.88 2wb1 h TYR 834 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2wb1 h TYR 834 Cb 1.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.06 2wb1 h TYR 834 CO 0.17 0.04 0.00 -0.40 -1.05 0.00 0.00 178.16 176.92 2wb1 n ASP 835 N -3.71 5.04 0.00 3.88 5.75 -1.26 -4.89 116.55 121.36 2wb1 n ASP 835 Ca -0.03 -2.70 0.00 0.00 -0.01 0.00 0.00 54.79 52.05 2wb1 n ASP 835 Cb 0.13 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 2wb1 n ASP 835 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wb1 n GLY 836 N 0.74 2.85 3.46 6.12 0.00 -1.12 -4.85 105.19 112.40 2wb1 n GLY 836 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2wb1 n GLY 836 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wb1 s THR 837 N -1.90 2.00 -0.09 2.61 2.01 -1.26 -1.61 115.64 117.40 2wb1 s THR 837 Ca 0.00 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 2wb1 s THR 837 Cb 0.00 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.52 2wb1 s THR 837 CO 0.00 -0.00 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.18 2wb1 s VAL 838 N -2.39 0.87 0.04 3.82 1.01 0.14 -2.36 120.40 121.52 2wb1 s VAL 838 Ca 0.69 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2wb1 s VAL 838 Cb -0.26 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2wb1 s VAL 838 CO 0.66 0.33 -0.17 -0.13 0.00 0.00 0.00 175.10 175.79 2wb1 s ARG 839 N 1.59 1.13 0.83 2.72 0.52 -0.73 -0.47 118.95 124.54 2wb1 s ARG 839 Ca 0.02 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2wb1 s ARG 839 Cb -0.13 -1.19 0.09 0.00 0.52 0.00 0.00 34.95 34.24 2wb1 s ARG 839 CO -0.06 0.30 1.10 -1.54 0.02 0.00 0.00 175.30 175.12 2wb1 s SER 840 N -1.16 3.95 0.00 0.23 1.04 -0.75 -1.92 113.70 115.09 2wb1 s SER 840 Ca 0.04 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.27 2wb1 s SER 840 Cb -0.08 -2.44 0.04 0.00 0.10 0.00 0.00 66.02 63.64 2wb1 s SER 840 CO 0.02 -2.38 0.45 0.18 0.98 0.00 0.00 173.24 172.49 2wb1 n LEU 841 N -3.74 0.00 -0.03 2.42 4.77 0.69 -1.43 117.00 119.67 2wb1 n LEU 841 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.12 2wb1 n LEU 841 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2wb1 n LEU 841 CO 0.53 0.00 -0.80 -1.22 -1.33 0.00 0.00 177.39 174.57 2wb1 n TYR 842 N -0.52 0.00 0.00 -1.77 4.01 -1.26 -5.00 117.16 112.62 2wb1 n TYR 842 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wb1 n TYR 842 Cb 0.00 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 2wb1 n TYR 842 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wb1 n GLY 843 N 1.54 1.46 3.74 2.72 0.00 -0.52 -5.10 105.19 109.04 2wb1 n GLY 843 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2wb1 n GLY 843 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 844 N -0.09 4.51 -0.57 1.61 2.02 -1.25 -4.91 118.70 120.02 2wb1 s GLU 844 Ca 0.00 1.11 -0.24 0.00 0.02 0.00 0.00 54.97 55.86 2wb1 s GLU 844 Cb 0.00 -3.38 0.05 0.00 0.10 0.00 0.00 34.13 30.90 2wb1 s GLU 844 CO 0.00 0.24 0.94 0.08 0.02 0.00 0.00 175.26 176.54 2wb1 s VAL 845 N 0.07 4.38 -0.08 2.63 1.01 -1.26 -1.81 120.40 125.34 2wb1 s VAL 845 Ca 0.40 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 2wb1 s VAL 845 Cb -0.21 -4.56 -0.28 0.00 0.00 0.00 0.00 36.38 31.34 2wb1 s VAL 845 CO 0.23 -1.17 0.52 0.40 0.00 0.00 0.00 175.10 175.09 2wb1 h ILE 846 N 6.01 0.78 -2.76 2.22 5.03 -1.14 -3.46 117.51 124.19 2wb1 h ILE 846 Ca -0.27 -2.45 -0.51 0.00 -0.12 0.00 0.00 64.86 61.51 2wb1 h ILE 846 Cb 1.07 2.62 -0.40 0.00 -3.03 0.00 0.00 36.82 37.08 2wb1 h ILE 846 CO 1.10 0.86 -0.77 -1.10 -0.68 0.00 0.00 178.15 177.57 2wb1 s GLN 847 N -2.57 0.19 -0.96 2.37 -0.21 -0.23 -4.95 119.66 113.30 2wb1 s GLN 847 Ca -0.18 -0.47 -0.24 0.00 0.02 0.00 0.00 55.36 54.49 2wb1 s GLN 847 Cb 0.06 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.90 2wb1 s GLN 847 CO 0.81 -1.00 1.73 0.08 -2.12 0.00 0.00 175.29 174.79 2wb1 s VAL 848 N 2.12 3.66 0.00 1.09 1.01 -1.26 0.26 120.40 127.28 2wb1 s VAL 848 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2wb1 s VAL 848 Cb -0.16 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.75 2wb1 s VAL 848 CO -0.35 -1.39 0.00 0.00 0.00 0.00 0.00 175.10 173.37 2wb1 n ALA 849 N 11.73 -1.00 -1.68 5.51 0.00 -1.24 -4.93 120.51 128.90 2wb1 n ALA 849 Ca 0.37 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.36 2wb1 n ALA 849 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 2wb1 n ALA 849 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wb1 n TYR 850 N 0.38 2.44 -4.09 0.00 9.36 -0.63 -2.64 117.16 121.98 2wb1 n TYR 850 Ca 0.00 -0.11 -0.28 0.00 3.32 0.00 0.00 57.90 60.83 2wb1 n TYR 850 Cb 0.00 -2.70 -0.05 0.00 -0.63 0.00 0.00 39.34 35.96 2wb1 n TYR 850 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wb1 n GLY 851 N 4.29 -0.20 5.00 2.98 0.00 -1.26 -0.46 105.19 115.54 2wb1 n GLY 851 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2wb1 n GLY 851 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb1 n ASP 852 N -2.93 0.00 -0.25 1.61 9.92 -1.08 -3.86 116.55 119.96 2wb1 n ASP 852 Ca -0.29 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.02 2wb1 n ASP 852 Cb 0.68 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 41.34 2wb1 n ASP 852 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2wb1 h ASP 853 N 0.00 0.22 0.00 -2.24 3.45 -1.88 -3.47 116.42 112.51 2wb1 h ASP 853 Ca 0.00 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2wb1 h ASP 853 Cb 0.00 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2wb1 h ASP 853 CO 0.00 0.07 0.00 0.61 -1.57 0.00 0.00 179.24 178.35 2wb1 n GLY 854 N -1.33 3.00 3.73 2.75 0.00 0.39 -5.00 105.19 108.74 2wb1 n GLY 854 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2wb1 n GLY 854 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 855 N -1.91 4.20 -0.13 1.61 1.01 -1.26 -4.87 120.40 119.04 2wb1 s VAL 855 Ca 0.00 1.83 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 2wb1 s VAL 855 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2wb1 s VAL 855 CO 0.00 0.28 0.60 0.12 0.00 0.00 0.00 175.10 176.10 2wb1 s PHE 856 N 0.01 3.48 0.20 5.22 2.19 -1.26 -4.95 117.98 122.87 2wb1 s PHE 856 Ca 0.49 1.00 -0.21 0.00 0.33 0.00 0.00 56.93 58.54 2wb1 s PHE 856 Cb -0.26 -2.72 0.13 0.00 -1.31 0.00 0.00 43.02 38.85 2wb1 s PHE 856 CO 0.32 0.01 1.47 -0.35 1.83 0.00 0.00 175.22 178.50 2wb1 n PRO 857 N 4.24 -0.29 0.25 10.12 -0.04 -1.26 -0.73 135.00 147.28 2wb1 n PRO 857 Ca -0.03 1.46 0.07 0.00 -0.04 0.00 0.00 63.50 64.96 2wb1 n PRO 857 Cb 0.51 -2.15 0.61 0.00 -0.04 0.00 0.00 33.50 32.42 2wb1 n PRO 857 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 2wb1 h MET 858 N 0.00 0.00 -0.63 0.54 1.85 -1.74 -1.53 114.93 113.42 2wb1 h MET 858 Ca 0.27 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2wb1 h MET 858 Cb 0.51 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.54 2wb1 h MET 858 CO -0.93 0.04 0.00 0.66 -0.40 0.00 0.00 176.91 176.28 2wb1 n TYR 859 N -4.49 0.69 -3.17 1.39 0.53 0.09 -4.82 117.16 107.37 2wb1 n TYR 859 Ca -0.03 -0.26 0.00 0.00 -1.02 0.00 0.00 57.90 56.59 2wb1 n TYR 859 Cb 0.12 -0.17 0.00 0.00 -1.03 0.00 0.00 39.34 38.27 2wb1 n TYR 859 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 2wb1 n SER 860 N 0.31 1.22 -0.06 7.72 3.41 -0.58 -4.94 113.62 120.70 2wb1 n SER 860 Ca 0.11 -0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2wb1 n SER 860 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 2wb1 n SER 860 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wb1 n ALA 861 N -3.00 0.50 0.21 7.33 0.00 -1.26 -4.69 120.51 119.60 2wb1 n ALA 861 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2wb1 n ALA 861 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2wb1 n ALA 861 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wb1 n HIS 862 N -4.17 -4.02 -4.00 0.00 -0.00 -1.26 -3.73 115.22 98.04 2wb1 n HIS 862 Ca -0.08 1.24 -0.28 0.00 -0.00 0.00 0.00 57.72 58.61 2wb1 n HIS 862 Cb 0.30 2.91 -0.04 0.00 -0.00 0.00 0.00 29.99 33.15 2wb1 n HIS 862 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2wb1 s GLY 863 N -3.02 1.84 -0.47 -1.41 0.00 -1.26 -4.82 107.32 98.16 2wb1 s GLY 863 Ca 0.00 -1.06 -0.27 0.00 0.00 0.00 0.00 44.72 43.39 2wb1 s GLY 863 CO 0.00 -1.05 2.39 0.58 0.00 0.00 0.00 173.10 175.02 2wb1 n LYS 864 N -0.20 1.13 -1.73 2.90 2.85 -1.26 -4.25 118.16 117.60 2wb1 n LYS 864 Ca -0.07 0.11 -0.01 0.00 -1.05 0.00 0.00 58.31 57.29 2wb1 n LYS 864 Cb 0.53 -3.21 -0.01 0.00 -0.65 0.00 0.00 35.03 31.69 2wb1 n LYS 864 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2wb1 n THR 865 N 7.88 -4.77 -2.15 0.58 -1.04 -1.26 -4.89 114.28 108.64 2wb1 n THR 865 Ca 0.38 0.52 -0.36 0.00 -2.04 0.00 0.00 64.05 62.55 2wb1 n THR 865 Cb 0.47 -4.26 -0.03 0.00 -1.82 0.00 0.00 70.33 64.69 2wb1 n THR 865 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wb1 s VAL 866 N -0.19 3.46 0.23 12.58 1.01 -1.26 -4.85 120.40 131.39 2wb1 s VAL 866 Ca -0.04 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2wb1 s VAL 866 Cb 0.00 -4.16 0.25 0.00 0.00 0.00 0.00 36.38 32.47 2wb1 s VAL 866 CO 0.16 -1.12 1.64 0.44 0.00 0.00 0.00 175.10 176.23 2wb1 h ASP 867 N 13.10 -0.34 0.00 3.32 3.32 -1.96 0.99 116.42 134.86 2wb1 h ASP 867 Ca -0.15 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wb1 h ASP 867 Cb 1.10 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2wb1 h ASP 867 CO 1.24 -0.16 0.00 0.52 -1.72 0.00 0.00 179.24 179.12 2wb1 n VAL 868 N -5.33 0.00 -0.10 -1.35 0.31 -1.26 -3.54 118.33 107.06 2wb1 n VAL 868 Ca 0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.23 2wb1 n VAL 868 Cb 0.42 -0.21 -0.07 0.00 -0.91 0.00 0.00 33.84 33.07 2wb1 n VAL 868 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wb1 n ASN 869 N -0.46 1.61 -0.36 4.52 5.15 0.34 -4.27 115.26 121.80 2wb1 n ASN 869 Ca 0.00 0.28 0.03 0.00 -0.60 0.00 0.00 54.58 54.29 2wb1 n ASN 869 Cb 0.01 -0.66 0.18 0.00 -0.53 0.00 0.00 39.78 38.78 2wb1 n ASN 869 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2wb1 h ARG 870 N -0.80 1.07 0.00 1.20 3.08 -1.62 1.09 114.38 118.39 2wb1 h ARG 870 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2wb1 h ARG 870 Cb 1.37 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2wb1 h ARG 870 CO -0.28 0.71 0.00 1.51 -1.07 0.00 0.00 179.97 180.84 2wb1 n ILE 871 N -4.55 1.45 0.45 2.04 3.06 -1.25 0.93 119.36 121.50 2wb1 n ILE 871 Ca 0.16 0.53 0.11 0.00 -2.50 0.00 0.00 62.75 61.04 2wb1 n ILE 871 Cb 0.22 -1.49 -0.12 0.00 0.54 0.00 0.00 39.64 38.78 2wb1 n ILE 871 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 2wb1 n PHE 872 N -1.83 0.05 0.06 9.51 3.01 0.34 -3.28 117.46 125.32 2wb1 n PHE 872 Ca 0.00 0.01 -0.20 0.00 1.01 0.00 0.00 57.45 58.27 2wb1 n PHE 872 Cb 0.05 -0.31 -0.13 0.00 -0.01 0.00 0.00 39.48 39.08 2wb1 n PHE 872 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2wb1 h GLU 873 N 0.00 0.46 0.00 -1.08 5.08 0.37 -3.40 114.58 116.01 2wb1 h GLU 873 Ca 0.00 -0.63 -0.24 0.00 -1.00 0.00 0.00 59.36 57.49 2wb1 h GLU 873 Cb 0.77 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2wb1 h GLU 873 CO 0.00 1.26 -1.88 0.54 -1.00 0.00 0.00 179.01 177.93 2wb1 n ARG 874 N -4.02 0.37 0.00 2.33 5.12 -0.24 -4.74 116.66 115.49 2wb1 n ARG 874 Ca -0.13 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2wb1 n ARG 874 Cb 0.85 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 2wb1 n ARG 874 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wb1 n VAL 875 N -3.13 0.00 0.00 1.55 0.31 -1.21 -4.57 118.33 111.29 2wb1 n VAL 875 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2wb1 n VAL 875 Cb 0.77 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 2wb1 n VAL 875 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2wb1 n VAL 876 N 0.00 0.00 0.00 2.52 3.14 -1.22 -4.08 118.33 118.68 2wb1 n VAL 876 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wb1 n VAL 876 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wb1 n VAL 876 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wb1 n GLY 877 N 0.00 0.00 0.00 7.55 0.00 -1.26 0.89 105.19 112.37 2wb1 n GLY 877 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 877 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wb1 n TRP 878 N -0.86 0.00 -1.18 1.61 8.01 -1.26 -4.80 117.44 118.96 2wb1 n TRP 878 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2wb1 n TRP 878 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 2wb1 n TRP 878 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31