#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgp n SER 2 N 0.00 0.07 -0.02 1.61 2.88 -1.26 -5.02 113.62 111.88 1wgp n SER 2 Ca 0.00 0.40 -0.06 0.00 -1.33 0.00 0.00 58.87 57.88 1wgp n SER 2 Cb 0.00 0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 63.69 1wgp n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgp n SER 3 N -3.43 1.37 0.00 -3.46 7.64 -1.26 -5.13 113.62 109.35 1wgp n SER 3 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wgp n SER 3 Cb 0.01 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1wgp n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 4 N 2.49 4.06 3.28 0.23 0.00 -1.26 -5.16 105.19 108.84 1wgp n GLY 4 Ca -0.10 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1wgp n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgp s SER 5 N 0.00 2.84 -0.30 1.61 1.04 -1.26 -5.09 113.70 112.54 1wgp s SER 5 Ca 0.00 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1wgp s SER 5 Cb 0.00 -0.36 0.19 0.00 0.10 0.00 0.00 66.02 65.95 1wgp s SER 5 CO 0.00 0.29 0.87 -0.44 0.98 0.00 0.00 173.24 174.94 1wgp s SER 6 N -0.53 -0.88 0.00 7.02 0.01 -1.26 -5.15 113.70 112.91 1wgp s SER 6 Ca 0.08 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1wgp s SER 6 Cb -0.10 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.64 1wgp s SER 6 CO -0.01 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1wgp n GLY 7 N 5.09 4.28 4.02 3.44 0.00 -1.26 -5.01 105.19 115.75 1wgp n GLY 7 Ca 0.08 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1wgp n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wgp n VAL 8 N 0.00 -2.61 -1.63 1.61 0.24 -1.26 -4.60 118.33 110.09 1wgp n VAL 8 Ca 0.00 -0.46 -0.18 0.00 -2.04 0.00 0.00 64.34 61.66 1wgp n VAL 8 Cb 0.00 -2.24 -0.11 0.00 -1.47 0.00 0.00 33.84 30.02 1wgp n VAL 8 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wgp n ARG 9 N -4.49 0.39 -3.92 7.34 1.74 -1.26 -3.93 116.66 112.52 1wgp n ARG 9 Ca -0.15 -1.83 -0.35 0.00 -0.77 0.00 0.00 57.85 54.75 1wgp n ARG 9 Cb 0.56 -3.85 0.01 0.00 -1.02 0.00 0.00 32.46 28.16 1wgp n ARG 9 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1wgp n ARG 10 N 8.15 -0.80 -1.73 5.56 0.63 -1.26 -4.89 116.66 122.32 1wgp n ARG 10 Ca 0.42 0.33 -0.31 0.00 -0.92 0.00 0.00 57.85 57.37 1wgp n ARG 10 Cb 0.47 -2.18 0.03 0.00 0.45 0.00 0.00 32.46 31.23 1wgp n ARG 10 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1wgp s VAL 11 N -3.30 4.13 -0.94 5.15 -7.23 -1.25 -4.94 120.40 112.02 1wgp s VAL 11 Ca 0.26 0.75 0.22 0.00 -1.81 0.00 0.00 61.98 61.40 1wgp s VAL 11 Cb -0.14 -3.49 0.19 0.00 0.56 0.00 0.00 36.38 33.50 1wgp s VAL 11 CO 0.89 -0.85 1.71 -0.81 -0.31 0.00 0.00 175.10 175.73 1wgp n PRO 12 N -2.83 0.03 0.31 4.82 -0.04 -1.26 -3.64 135.00 132.39 1wgp n PRO 12 Ca 0.07 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1wgp n PRO 12 Cb 0.54 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1wgp n PRO 12 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wgp h LEU 13 N 0.00 -0.66 -4.80 1.53 3.38 -1.92 -3.11 115.31 109.73 1wgp h LEU 13 Ca 0.00 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 1wgp h LEU 13 Cb 0.40 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1wgp h LEU 13 CO 0.00 -0.46 2.03 0.49 0.09 0.00 0.00 178.44 180.59 1wgp n PHE 14 N -4.15 1.71 -0.08 1.13 3.72 -1.24 -4.41 117.46 114.13 1wgp n PHE 14 Ca -0.10 -2.48 -0.13 0.00 -0.05 0.00 0.00 57.45 54.69 1wgp n PHE 14 Cb 0.31 -2.00 -0.08 0.00 -0.94 0.00 0.00 39.48 36.77 1wgp n PHE 14 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1wgp h GLU 15 N 4.15 0.00 0.00 -1.08 4.39 -1.72 -3.38 114.58 116.94 1wgp h GLU 15 Ca 0.60 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.25 1wgp h GLU 15 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1wgp h GLU 15 CO 1.20 0.66 -0.94 -2.95 -1.16 0.00 0.00 179.01 175.83 1wgp h ASN 16 N -1.00 0.00 -2.85 1.42 7.08 -1.85 -3.47 115.58 114.90 1wgp h ASN 16 Ca -0.13 0.00 -0.55 0.00 -3.08 0.00 0.00 56.30 52.54 1wgp h ASN 16 Cb 0.87 0.00 0.21 0.00 -2.08 0.00 0.00 38.32 37.32 1wgp h ASN 16 CO -0.08 0.20 -0.88 0.23 -2.08 0.00 0.00 177.43 174.82 1wgp n MET 17 N -2.84 0.02 -3.34 4.14 2.81 -1.26 -4.47 117.12 112.18 1wgp n MET 17 Ca -0.02 0.04 -0.34 0.00 -1.81 0.00 0.00 57.70 55.57 1wgp n MET 17 Cb 0.64 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.54 1wgp n MET 17 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wgp s ASP 18 N -1.47 6.75 0.06 7.83 1.01 -1.26 -4.98 116.67 124.61 1wgp s ASP 18 Ca 0.56 1.05 -0.18 0.00 0.71 0.00 0.00 52.55 54.70 1wgp s ASP 18 Cb -0.28 -2.28 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1wgp s ASP 18 CO 0.68 -0.01 1.29 -0.08 0.21 0.00 0.00 175.17 177.26 1wgp h GLU 19 N 2.99 -0.27 -1.26 8.23 4.81 -1.97 0.39 114.58 127.51 1wgp h GLU 19 Ca -0.48 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.14 1wgp h GLU 19 Cb 1.18 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 1wgp h GLU 19 CO 0.67 -0.18 0.98 0.00 -0.73 0.00 0.00 179.01 179.75 1wgp h ARG 20 N -0.28 0.00 -0.58 1.92 2.47 -2.00 1.38 114.38 117.30 1wgp h ARG 20 Ca 0.02 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 1wgp h ARG 20 Cb 0.34 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1wgp h ARG 20 CO -0.26 0.00 0.16 1.25 0.56 0.00 0.00 179.97 181.68 1wgp h LEU 21 N 0.00 0.86 -0.10 3.04 5.85 -0.62 0.50 115.31 124.83 1wgp h LEU 21 Ca 0.60 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 59.13 1wgp h LEU 21 Cb 2.55 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 43.32 1wgp h LEU 21 CO -0.01 0.85 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.76 1wgp h LEU 22 N 0.82 -0.34 -0.50 2.25 -0.00 0.25 1.34 115.31 119.12 1wgp h LEU 22 Ca 0.18 0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 58.06 1wgp h LEU 22 Cb 0.32 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 1wgp h LEU 22 CO -0.00 -0.15 0.06 -0.78 -0.00 0.00 0.00 178.44 177.56 1wgp h ASP 23 N -0.14 0.82 0.89 -0.43 3.58 -1.30 0.29 116.42 120.13 1wgp h ASP 23 Ca 0.07 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.21 1wgp h ASP 23 Cb 0.25 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1wgp h ASP 23 CO -0.18 0.89 -0.48 0.00 -2.88 0.00 0.00 179.24 176.59 1wgp h ALA 24 N 0.96 -1.29 -0.20 -0.78 0.00 0.73 1.01 119.26 119.69 1wgp h ALA 24 Ca 0.15 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1wgp h ALA 24 Cb 0.43 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1wgp h ALA 24 CO 0.01 -1.23 0.15 0.82 0.00 0.00 0.00 179.25 179.00 1wgp h ILE 25 N -1.26 0.90 0.21 0.00 2.04 0.18 -1.44 117.51 118.14 1wgp h ILE 25 Ca -0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1wgp h ILE 25 Cb 0.99 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1wgp h ILE 25 CO 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.22 1wgp h GLU 27 N -0.75 0.00 0.01 0.00 5.08 0.21 1.08 114.58 120.21 1wgp h GLU 27 Ca -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1wgp h GLU 27 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1wgp h GLU 27 CO 0.05 0.00 -0.92 0.00 -1.00 0.00 0.00 179.01 177.14 1wgp h ARG 28 N 0.00 0.25 -6.10 2.33 -0.00 -1.06 -3.45 114.38 106.36 1wgp h ARG 28 Ca 0.11 -0.29 -0.78 0.00 -0.50 0.00 0.00 59.98 58.52 1wgp h ARG 28 Cb 1.14 0.08 0.02 0.00 0.00 0.00 0.00 29.97 31.22 1wgp h ARG 28 CO -0.00 1.01 0.72 1.28 0.00 0.00 0.00 179.97 182.98 1wgp n LEU 29 N -3.67 1.72 -4.76 3.04 4.77 0.37 -4.85 117.00 113.63 1wgp n LEU 29 Ca -0.05 1.12 -0.27 0.00 -0.03 0.00 0.00 56.01 56.79 1wgp n LEU 29 Cb 0.83 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1wgp n LEU 29 CO 0.49 -0.75 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.00 1wgp s LYS 30 N 2.75 2.77 -0.42 3.23 1.02 -1.10 -4.90 119.74 123.08 1wgp s LYS 30 Ca 0.98 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.80 1wgp s LYS 30 Cb -1.22 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.51 1wgp s LYS 30 CO 0.68 0.50 1.42 -1.25 -0.92 0.00 0.00 175.35 175.78 1wgp s PRO 31 N -2.89 3.55 0.09 -1.68 0.04 -1.26 -3.01 135.00 129.85 1wgp s PRO 31 Ca 0.30 0.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 1wgp s PRO 31 Cb -0.10 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.42 1wgp s PRO 31 CO 0.22 -1.60 0.30 0.00 0.04 0.00 0.00 177.00 175.96 1wgp s LEU 33 N -2.65 2.18 -0.30 0.00 0.20 -1.26 -4.11 118.68 112.73 1wgp s LEU 33 Ca 0.02 -0.65 -0.03 0.00 0.69 0.00 0.00 54.13 54.16 1wgp s LEU 33 Cb 0.02 0.28 0.04 0.00 -0.43 0.00 0.00 46.19 46.10 1wgp s LEU 33 CO -0.10 -0.44 0.02 -0.36 -0.29 0.00 0.00 176.35 175.18 1wgp s PHE 34 N -2.48 3.23 0.00 5.38 0.08 -1.26 -5.06 117.98 117.87 1wgp s PHE 34 Ca -0.06 -1.67 0.00 0.00 0.12 0.00 0.00 56.93 55.32 1wgp s PHE 34 Cb -0.02 -2.15 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1wgp s PHE 34 CO -0.04 -0.76 0.00 0.25 -0.10 0.00 0.00 175.22 174.56 1wgp n THR 35 N 4.69 0.00 -2.08 0.64 -2.24 -1.26 -3.90 114.28 110.13 1wgp n THR 35 Ca -0.13 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1wgp n THR 35 Cb 0.44 -1.98 -0.00 0.00 -2.10 0.00 0.00 70.33 66.69 1wgp n THR 35 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wgp s GLU 36 N -2.74 3.91 -1.04 -0.78 -1.05 -1.26 -2.76 118.70 112.97 1wgp s GLU 36 Ca 0.00 2.09 -0.05 0.00 -0.15 0.00 0.00 54.97 56.86 1wgp s GLU 36 Cb 0.00 -2.69 0.01 0.00 -0.44 0.00 0.00 34.13 31.01 1wgp s GLU 36 CO 0.00 -0.52 0.70 1.63 0.95 0.00 0.00 175.26 178.02 1wgp n LYS 37 N -0.00 -4.95 -3.69 -4.83 5.02 -1.17 -4.99 118.16 103.55 1wgp n LYS 37 Ca 0.04 0.63 -0.37 0.00 -2.02 0.00 0.00 58.31 56.59 1wgp n LYS 37 Cb 0.44 -4.98 -0.12 0.00 -0.02 0.00 0.00 35.03 30.36 1wgp n LYS 37 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wgp s SER 38 N -3.06 5.51 -0.37 4.39 0.01 -1.11 -4.94 113.70 114.12 1wgp s SER 38 Ca 0.35 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.33 1wgp s SER 38 Cb -0.15 -2.01 -0.00 0.00 0.21 0.00 0.00 66.02 64.07 1wgp s SER 38 CO 0.43 -0.04 0.37 -0.31 0.41 0.00 0.00 173.24 174.10 1wgp s TYR 39 N 1.67 3.20 -0.10 2.43 2.02 -1.26 -1.75 117.35 123.56 1wgp s TYR 39 Ca 0.07 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 1wgp s TYR 39 Cb -0.15 -2.70 -0.11 0.00 -0.40 0.00 0.00 41.96 38.59 1wgp s TYR 39 CO 0.07 -0.50 0.41 -0.07 -1.57 0.00 0.00 175.55 173.89 1wgp h LEU 40 N 8.79 -0.06 -8.43 -1.29 4.07 -1.94 -3.47 115.31 112.98 1wgp h LEU 40 Ca -0.29 -0.35 -0.35 0.00 0.08 0.00 0.00 57.88 56.98 1wgp h LEU 40 Cb 1.13 0.02 -0.19 0.00 1.08 0.00 0.00 40.66 42.70 1wgp h LEU 40 CO 0.72 0.59 -0.75 0.68 -1.08 0.00 0.00 178.44 178.60 1wgp s VAL 41 N -2.18 0.97 0.12 1.22 -7.23 -1.26 -4.96 120.40 107.08 1wgp s VAL 41 Ca -0.08 -1.51 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1wgp s VAL 41 Cb -0.01 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1wgp s VAL 41 CO 0.30 -0.45 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.43 1wgp s ARG 42 N -2.40 0.94 -0.50 4.82 0.52 -1.23 -2.26 118.95 118.85 1wgp s ARG 42 Ca 0.02 -1.39 -0.20 0.00 -0.52 0.00 0.00 55.73 53.64 1wgp s ARG 42 Cb -0.06 -0.40 0.05 0.00 0.52 0.00 0.00 34.95 35.07 1wgp s ARG 42 CO 0.01 0.02 0.64 -2.00 0.02 0.00 0.00 175.30 174.00 1wgp s GLU 43 N -3.79 3.15 0.00 3.54 2.12 -1.24 -3.90 118.70 118.58 1wgp s GLU 43 Ca 0.14 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1wgp s GLU 43 Cb 0.04 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.35 1wgp s GLU 43 CO -0.02 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.90 1wgp n GLY 44 N 5.15 1.98 3.85 -1.50 0.00 -1.25 -5.02 105.19 108.41 1wgp n GLY 44 Ca -0.05 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1wgp n GLY 44 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wgp s ASP 45 N -0.41 6.63 0.98 1.61 -4.77 -1.25 -4.97 116.67 114.48 1wgp s ASP 45 Ca 0.00 1.37 -0.14 0.00 -3.30 0.00 0.00 52.55 50.47 1wgp s ASP 45 Cb 0.00 -2.42 0.18 0.00 -1.09 0.00 0.00 42.92 39.59 1wgp s ASP 45 CO 0.00 -0.44 1.17 -2.16 0.70 0.00 0.00 175.17 174.44 1wgp s PRO 46 N -3.77 0.58 -0.28 2.11 0.04 -1.26 -3.65 135.00 128.77 1wgp s PRO 46 Ca 0.55 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.70 1wgp s PRO 46 Cb -0.10 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.72 1wgp s PRO 46 CO 0.28 -2.53 -0.06 0.08 0.04 0.00 0.00 177.00 174.80 1wgp s VAL 47 N -3.35 2.26 -0.06 -0.36 1.01 0.14 -4.82 120.40 115.21 1wgp s VAL 47 Ca 0.67 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 1wgp s VAL 47 Cb -0.12 -2.42 -0.30 0.00 0.00 0.00 0.00 36.38 33.54 1wgp s VAL 47 CO 0.54 -0.18 0.86 -1.13 0.00 0.00 0.00 175.10 175.19 1wgp h ASN 48 N 7.75 0.40 -4.90 3.32 -0.73 -1.95 -3.39 115.58 116.07 1wgp h ASN 48 Ca -0.15 -0.95 -0.19 0.00 1.87 0.00 0.00 56.30 56.88 1wgp h ASN 48 Cb 1.04 -0.13 -0.21 0.00 0.27 0.00 0.00 38.32 39.28 1wgp h ASN 48 CO 0.48 1.35 -0.71 -1.83 -0.37 0.00 0.00 177.43 176.36 1wgp s GLU 49 N -2.40 0.33 0.10 6.67 1.03 -1.26 -2.63 118.70 120.54 1wgp s GLU 49 Ca -0.15 -0.60 -0.06 0.00 0.03 0.00 0.00 54.97 54.19 1wgp s GLU 49 Cb 0.00 0.05 -0.05 0.00 -0.80 0.00 0.00 34.13 33.33 1wgp s GLU 49 CO 0.81 -0.03 0.35 1.41 -1.33 0.00 0.00 175.26 176.46 1wgp s MET 50 N -1.41 3.62 -0.20 -4.83 1.75 0.53 -4.84 119.30 113.93 1wgp s MET 50 Ca -0.15 -0.06 -0.02 0.00 -1.25 0.00 0.00 55.69 54.21 1wgp s MET 50 Cb -0.10 -2.93 0.00 0.00 2.84 0.00 0.00 34.83 34.64 1wgp s MET 50 CO -0.01 0.53 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.27 1wgp s LEU 51 N -2.35 2.61 -0.52 4.11 2.01 -1.26 0.48 118.68 123.76 1wgp s LEU 51 Ca 0.37 -0.47 -0.16 0.00 0.01 0.00 0.00 54.13 53.87 1wgp s LEU 51 Cb -0.13 -1.63 0.10 0.00 0.01 0.00 0.00 46.19 44.54 1wgp s LEU 51 CO 0.22 0.01 0.48 -0.36 1.01 0.00 0.00 176.35 177.71 1wgp s PHE 52 N 1.28 3.22 0.06 0.29 0.40 -1.11 -3.64 117.98 118.48 1wgp s PHE 52 Ca 0.03 -1.11 -0.32 0.00 -0.60 0.00 0.00 56.93 54.93 1wgp s PHE 52 Cb -0.14 -3.58 -0.11 0.00 0.51 0.00 0.00 43.02 39.70 1wgp s PHE 52 CO -0.05 -0.96 1.84 -0.89 0.70 0.00 0.00 175.22 175.86 1wgp n ILE 53 N 5.27 0.44 -0.11 0.64 2.08 -1.26 -3.57 119.36 122.86 1wgp n ILE 53 Ca -0.13 -0.08 -0.23 0.00 0.56 0.00 0.00 62.75 62.87 1wgp n ILE 53 Cb 0.42 -2.02 -0.08 0.00 -0.75 0.00 0.00 39.64 37.21 1wgp n ILE 53 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1wgp n ILE 54 N 4.79 1.33 -3.65 1.39 2.08 -1.12 -4.35 119.36 119.82 1wgp n ILE 54 Ca 0.19 -0.25 -0.05 0.00 0.56 0.00 0.00 62.75 63.20 1wgp n ILE 54 Cb 0.35 -1.89 -0.07 0.00 -0.75 0.00 0.00 39.64 37.28 1wgp n ILE 54 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1wgp s ARG 55 N -2.49 0.56 0.00 0.38 0.52 -0.74 -4.61 118.95 112.57 1wgp s ARG 55 Ca -0.32 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1wgp s ARG 55 Cb 0.11 0.44 0.00 0.00 0.52 0.00 0.00 34.95 36.03 1wgp s ARG 55 CO 0.41 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1wgp n GLY 56 N 4.93 -0.30 3.24 -3.53 0.00 -1.26 -1.15 105.19 107.11 1wgp n GLY 56 Ca -0.15 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 1wgp n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgp s ARG 57 N -2.00 1.00 0.29 1.61 1.81 -1.26 -4.35 118.95 116.04 1wgp s ARG 57 Ca 0.00 -1.20 -0.15 0.00 -1.72 0.00 0.00 55.73 52.66 1wgp s ARG 57 Cb 0.00 -0.93 0.01 0.00 -0.45 0.00 0.00 34.95 33.59 1wgp s ARG 57 CO 0.00 0.18 0.61 -0.51 -0.68 0.00 0.00 175.30 174.90 1wgp s LEU 58 N -2.32 0.12 -0.06 2.53 1.02 -1.26 -4.37 118.68 114.34 1wgp s LEU 58 Ca 0.07 -0.89 0.05 0.00 0.02 0.00 0.00 54.13 53.38 1wgp s LEU 58 Cb -0.06 2.24 -0.00 0.00 0.02 0.00 0.00 46.19 48.39 1wgp s LEU 58 CO 0.03 -1.31 -0.20 -1.83 0.02 0.00 0.00 176.35 173.06 1wgp s GLU 59 N -3.67 2.20 -0.11 1.70 -1.05 -1.12 -2.97 118.70 113.69 1wgp s GLU 59 Ca 0.18 -0.72 -0.01 0.00 -0.15 0.00 0.00 54.97 54.27 1wgp s GLU 59 Cb -0.03 -1.84 -0.03 0.00 -0.44 0.00 0.00 34.13 31.80 1wgp s GLU 59 CO 0.10 0.25 -0.06 0.45 0.95 0.00 0.00 175.26 176.94 1wgp s SER 60 N 0.09 4.65 0.00 0.83 0.15 0.19 -2.90 113.70 116.71 1wgp s SER 60 Ca -0.07 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 1wgp s SER 60 Cb -0.14 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 1wgp s SER 60 CO 0.04 0.27 0.01 -0.69 1.20 0.00 0.00 173.24 174.07 1wgp s VAL 61 N -0.24 0.05 -0.11 4.45 1.01 -0.53 0.11 120.40 125.15 1wgp s VAL 61 Ca 0.03 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1wgp s VAL 61 Cb -0.13 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1wgp s VAL 61 CO 0.03 -0.25 0.43 0.28 0.00 0.00 0.00 175.10 175.59 1wgp s THR 62 N -0.74 0.02 -0.53 3.92 -1.32 -1.14 -1.58 115.64 114.28 1wgp s THR 62 Ca -0.08 -0.13 0.05 0.00 -1.21 0.00 0.00 61.69 60.32 1wgp s THR 62 Cb -0.05 -0.65 0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1wgp s THR 62 CO -0.00 -0.07 0.55 0.35 -2.21 0.00 0.00 174.62 173.24 1wgp n THR 63 N 2.22 0.00 -4.09 5.08 -2.24 -1.26 -1.96 114.28 112.03 1wgp n THR 63 Ca -0.16 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 60.96 1wgp n THR 63 Cb 0.57 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.72 1wgp n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wgp s ASP 64 N -0.62 0.72 0.00 3.42 2.15 -1.26 -4.70 116.67 116.37 1wgp s ASP 64 Ca 0.05 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.94 1wgp s ASP 64 Cb 0.04 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.33 1wgp s ASP 64 CO 0.09 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1wgp n GLY 65 N 3.95 3.63 2.34 2.66 0.00 -1.26 -4.98 105.19 111.53 1wgp n GLY 65 Ca -0.25 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1wgp n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgp n GLY 66 N 0.00 2.02 3.51 -0.02 0.00 -1.26 -4.84 105.19 104.59 1wgp n GLY 66 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 1wgp n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgp s ARG 67 N 0.00 1.00 0.14 1.61 3.52 -1.26 -5.14 118.95 118.82 1wgp s ARG 67 Ca 0.00 0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 1wgp s ARG 67 Cb 0.00 0.47 -0.07 0.00 -1.56 0.00 0.00 34.95 33.78 1wgp s ARG 67 CO 0.00 -0.36 1.24 -1.12 -0.81 0.00 0.00 175.30 174.26 1wgp s SER 68 N -1.64 7.02 0.00 -2.12 0.01 -1.26 -4.90 113.70 110.80 1wgp s SER 68 Ca -0.05 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1wgp s SER 68 Cb -0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1wgp s SER 68 CO 0.02 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wgp n GLY 69 N 2.69 -0.83 3.86 3.44 0.00 -1.26 -5.16 105.19 107.92 1wgp n GLY 69 Ca 0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1wgp n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgp s PHE 70 N -4.00 2.34 0.09 1.61 0.40 -1.26 -4.99 117.98 112.17 1wgp s PHE 70 Ca 0.00 0.65 -0.31 0.00 -0.60 0.00 0.00 56.93 56.67 1wgp s PHE 70 Cb 0.00 -3.62 -0.07 0.00 0.51 0.00 0.00 43.02 39.83 1wgp s PHE 70 CO 0.00 -2.28 1.40 0.71 0.70 0.00 0.00 175.22 175.74 1wgp s TYR 71 N -3.54 3.13 -0.55 0.36 1.51 -1.26 -4.87 117.35 112.12 1wgp s TYR 71 Ca 0.66 0.91 -0.17 0.00 -1.01 0.00 0.00 57.07 57.46 1wgp s TYR 71 Cb -0.10 -3.68 0.12 0.00 -0.11 0.00 0.00 41.96 38.19 1wgp s TYR 71 CO 0.52 -2.42 0.56 -0.80 -1.11 0.00 0.00 175.55 172.29 1wgp s ASN 72 N 1.34 6.19 0.38 2.29 0.01 -0.83 -4.95 114.94 119.37 1wgp s ASN 72 Ca 0.65 -1.67 -0.13 0.00 -0.71 0.00 0.00 52.86 51.00 1wgp s ASN 72 Cb -0.35 -2.24 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 1wgp s ASN 72 CO 0.29 -0.93 0.77 -0.60 -1.51 0.00 0.00 177.10 175.13 1wgp s ARG 73 N 1.92 3.87 0.32 -0.60 3.52 -1.26 -2.88 118.95 123.85 1wgp s ARG 73 Ca 0.06 0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 56.05 1wgp s ARG 73 Cb -0.28 -2.38 0.03 0.00 -1.56 0.00 0.00 34.95 30.76 1wgp s ARG 73 CO 0.04 0.02 0.73 -1.12 -0.81 0.00 0.00 175.30 174.16 1wgp s SER 74 N -2.83 -0.13 0.04 -2.12 0.01 0.30 -4.96 113.70 104.01 1wgp s SER 74 Ca 0.53 -0.84 0.07 0.00 1.31 0.00 0.00 55.95 57.03 1wgp s SER 74 Cb -0.10 0.77 -0.02 0.00 0.21 0.00 0.00 66.02 66.87 1wgp s SER 74 CO 0.26 -1.47 -0.21 -0.22 0.41 0.00 0.00 173.24 172.01 1wgp s LEU 75 N -2.99 2.16 -0.34 2.44 2.96 -1.26 0.55 118.68 122.19 1wgp s LEU 75 Ca 0.13 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1wgp s LEU 75 Cb -0.05 -1.01 0.03 0.00 0.50 0.00 0.00 46.19 45.66 1wgp s LEU 75 CO 0.09 0.18 0.13 -0.76 -1.32 0.00 0.00 176.35 174.67 1wgp s LEU 76 N -1.13 4.35 0.80 -0.68 1.43 -1.16 -4.88 118.68 117.41 1wgp s LEU 76 Ca 0.08 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1wgp s LEU 76 Cb -0.09 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1wgp s LEU 76 CO 0.02 -0.32 1.12 -0.54 0.23 0.00 0.00 176.35 176.85 1wgp s LYS 77 N 1.46 2.09 0.03 1.70 1.02 -1.26 -4.02 119.74 120.77 1wgp s LYS 77 Ca 0.00 0.45 -0.32 0.00 0.02 0.00 0.00 55.97 56.12 1wgp s LYS 77 Cb -0.19 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1wgp s LYS 77 CO 0.04 -1.57 1.91 -0.85 -0.92 0.00 0.00 175.35 173.95 1wgp n GLU 78 N -3.37 2.66 0.00 1.68 0.28 -1.26 -2.21 120.64 118.42 1wgp n GLU 78 Ca 0.07 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 58.04 1wgp n GLU 78 Cb 0.58 -2.88 0.00 0.00 1.43 0.00 0.00 31.44 30.57 1wgp n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wgp n GLY 79 N 4.40 3.09 3.73 -1.84 0.00 -1.26 -5.10 105.19 108.22 1wgp n GLY 79 Ca 0.20 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1wgp n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wgp s ASP 80 N -0.13 3.80 0.37 1.61 2.15 -0.94 -4.87 116.67 118.66 1wgp s ASP 80 Ca 0.00 1.64 0.04 0.00 0.43 0.00 0.00 52.55 54.67 1wgp s ASP 80 Cb 0.00 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 1wgp s ASP 80 CO 0.00 -2.46 0.17 0.72 -0.17 0.00 0.00 175.17 173.43 1wgp s PHE 81 N -2.90 1.75 0.27 -5.34 -0.12 -1.26 -4.05 117.98 106.32 1wgp s PHE 81 Ca 0.63 -1.38 0.03 0.00 -0.05 0.00 0.00 56.93 56.16 1wgp s PHE 81 Cb -0.18 -1.01 -0.06 0.00 -0.63 0.00 0.00 43.02 41.14 1wgp s PHE 81 CO 0.57 -0.46 0.04 0.00 -0.05 0.00 0.00 175.22 175.32 1wgp n GLY 83 N -0.52 -0.36 0.27 0.00 0.00 -1.26 -4.40 105.19 98.92 1wgp n GLY 83 Ca -0.03 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1wgp n GLY 83 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wgp h ASP 84 N -0.73 0.00 -1.02 1.61 3.04 -1.94 -2.14 116.42 115.24 1wgp h ASP 84 Ca -0.51 0.00 0.25 0.00 -3.24 0.00 0.00 57.03 53.54 1wgp h ASP 84 Cb 1.22 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.41 1wgp h ASP 84 CO 0.76 0.08 0.63 -0.33 -2.04 0.00 0.00 179.24 178.34 1wgp h GLU 85 N 0.00 0.49 -0.90 4.15 4.39 -1.95 0.50 114.58 121.26 1wgp h GLU 85 Ca -0.00 -0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.86 1wgp h GLU 85 Cb 0.21 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.64 1wgp h GLU 85 CO 0.01 0.32 0.46 1.25 -1.16 0.00 0.00 179.01 179.90 1wgp h LEU 86 N 0.50 0.52 -0.08 1.33 5.85 -1.74 0.90 115.31 122.59 1wgp h LEU 86 Ca 0.62 0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.47 1wgp h LEU 86 Cb 1.34 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1wgp h LEU 86 CO -0.38 0.15 -0.04 0.25 -0.34 0.00 0.00 178.44 178.08 1wgp h LEU 87 N 0.57 -0.13 -0.85 2.25 5.85 -0.19 -1.90 115.31 120.91 1wgp h LEU 87 Ca 0.53 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.20 1wgp h LEU 87 Cb 0.87 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1wgp h LEU 87 CO -0.43 -0.05 0.03 0.74 -0.34 0.00 0.00 178.44 178.38 1wgp h THR 88 N -0.03 1.25 -0.07 1.05 2.02 -0.66 -2.05 112.91 114.41 1wgp h THR 88 Ca 0.04 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1wgp h THR 88 Cb 0.10 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1wgp h THR 88 CO -0.10 0.37 -0.32 -0.25 0.37 0.00 0.00 175.52 175.59 1wgp h TRP 89 N 0.83 -0.95 -0.48 3.16 7.01 0.14 0.38 115.95 126.03 1wgp h TRP 89 Ca 0.16 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.29 1wgp h TRP 89 Cb 0.45 0.42 -0.08 0.00 -2.10 0.00 0.00 29.16 27.85 1wgp h TRP 89 CO 0.03 -0.32 -0.02 0.00 -2.79 0.00 0.00 178.44 175.34 1wgp h ALA 90 N -0.78 0.44 -0.27 2.65 0.00 -1.31 0.86 119.26 120.86 1wgp h ALA 90 Ca 0.02 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1wgp h ALA 90 Cb 0.40 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wgp h ALA 90 CO -0.25 -0.40 0.43 -0.07 0.00 0.00 0.00 179.25 178.96 1wgp h LEU 91 N 0.09 0.00 -8.20 0.00 4.07 -0.44 -3.31 115.31 107.53 1wgp h LEU 91 Ca 0.24 0.00 -0.72 0.00 0.08 0.00 0.00 57.88 57.49 1wgp h LEU 91 Cb 0.37 0.00 -0.27 0.00 1.08 0.00 0.00 40.66 41.84 1wgp h LEU 91 CO -0.42 0.00 -0.47 -1.81 -1.08 0.00 0.00 178.44 174.66 1wgp s ASP 92 N -4.88 5.70 0.27 -0.43 1.11 0.30 -4.93 116.67 113.82 1wgp s ASP 92 Ca -0.04 -1.35 0.13 0.00 0.18 0.00 0.00 52.55 51.47 1wgp s ASP 92 Cb 0.13 -2.01 0.30 0.00 1.07 0.00 0.00 42.92 42.40 1wgp s ASP 92 CO 0.43 -0.51 1.56 1.55 1.18 0.00 0.00 175.17 179.38 1wgp h PRO 93 N 8.44 0.00 -0.64 8.23 0.13 -1.74 -3.06 132.00 143.36 1wgp h PRO 93 Ca -0.24 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1wgp h PRO 93 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1wgp h PRO 93 CO 0.74 0.60 0.42 0.87 -0.23 0.00 0.00 178.00 180.41 1wgp h LYS 94 N 0.00 0.75 -4.86 0.86 1.79 -1.91 -3.24 116.57 109.96 1wgp h LYS 94 Ca -0.01 -0.04 -0.73 0.00 -2.18 0.00 0.00 60.65 57.69 1wgp h LYS 94 Cb 1.21 -0.17 -0.15 0.00 -1.58 0.00 0.00 32.23 31.54 1wgp h LYS 94 CO 0.08 0.49 1.63 0.43 -1.08 0.00 0.00 179.45 181.00 1wgp n SER 95 N -4.46 5.13 -3.40 0.86 7.64 -1.16 -4.81 113.62 113.42 1wgp n SER 95 Ca 0.08 -2.97 -0.26 0.00 1.01 0.00 0.00 58.87 56.72 1wgp n SER 95 Cb 0.12 -1.60 -0.09 0.00 -1.01 0.00 0.00 64.21 61.63 1wgp n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 96 N 4.25 3.07 2.04 0.23 0.00 -1.23 -4.85 105.19 108.70 1wgp n GLY 96 Ca 0.40 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1wgp n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgp n SER 97 N 1.91 -0.81 -3.96 1.61 7.64 -1.26 -5.12 113.62 113.64 1wgp n SER 97 Ca 0.25 0.28 -0.17 0.00 1.01 0.00 0.00 58.87 60.24 1wgp n SER 97 Cb 0.47 0.93 -0.15 0.00 -1.01 0.00 0.00 64.21 64.45 1wgp n SER 97 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wgp s ASN 98 N -3.71 0.78 0.89 6.43 0.01 -1.26 -5.13 114.94 112.94 1wgp s ASN 98 Ca 0.00 -0.12 -0.16 0.00 -0.71 0.00 0.00 52.86 51.88 1wgp s ASN 98 Cb 0.00 -0.16 -0.07 0.00 0.41 0.00 0.00 41.25 41.42 1wgp s ASN 98 CO 0.00 0.05 -0.14 0.18 -1.51 0.00 0.00 177.10 175.68 1wgp n LEU 99 N 3.18 -2.87 -4.81 0.60 4.77 -1.26 -4.93 117.00 111.69 1wgp n LEU 99 Ca -0.16 0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1wgp n LEU 99 Cb 0.56 -0.98 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1wgp n LEU 99 CO 0.25 -4.69 0.71 -2.16 -1.33 0.00 0.00 177.39 170.17 1wgp s PRO 100 N -2.53 2.39 -0.12 3.23 0.04 -1.26 -4.71 135.00 132.03 1wgp s PRO 100 Ca 0.51 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.34 1wgp s PRO 100 Cb -0.25 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wgp s PRO 100 CO 0.72 -1.43 -0.22 -1.12 0.04 0.00 0.00 177.00 174.98 1wgp s SER 101 N -3.86 3.13 -0.13 6.66 0.01 -1.26 0.25 113.70 118.49 1wgp s SER 101 Ca 0.60 -0.58 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 1wgp s SER 101 Cb -0.14 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 1wgp s SER 101 CO 0.54 0.11 1.15 -0.94 0.41 0.00 0.00 173.24 174.52 1wgp s SER 102 N 0.61 7.06 -0.26 2.44 1.04 -1.24 -4.91 113.70 118.45 1wgp s SER 102 Ca -0.12 1.64 -0.02 0.00 0.48 0.00 0.00 55.95 57.92 1wgp s SER 102 Cb -0.17 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.47 1wgp s SER 102 CO 0.03 -0.63 2.47 1.07 0.98 0.00 0.00 173.24 177.15 1wgp n THR 103 N 4.98 2.85 -3.60 2.02 5.66 -1.26 -3.71 114.28 121.21 1wgp n THR 103 Ca 0.12 -1.84 -0.06 0.00 -3.05 0.00 0.00 64.05 59.22 1wgp n THR 103 Cb 0.46 -1.53 -0.04 0.00 -1.55 0.00 0.00 70.33 67.67 1wgp n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wgp s ARG 104 N -1.10 0.35 -0.05 1.09 1.70 -1.26 -4.94 118.95 114.75 1wgp s ARG 104 Ca 0.39 0.03 0.06 0.00 -0.47 0.00 0.00 55.73 55.74 1wgp s ARG 104 Cb 0.26 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1wgp s ARG 104 CO -0.07 -0.12 -0.22 0.99 -1.08 0.00 0.00 175.30 174.81 1wgp s THR 105 N -1.39 2.40 0.07 4.99 2.01 -0.61 -3.51 115.64 119.59 1wgp s THR 105 Ca 0.04 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1wgp s THR 105 Cb -0.01 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1wgp s THR 105 CO -0.03 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 1wgp s VAL 106 N -0.41 0.77 0.05 3.82 1.01 -0.96 -1.45 120.40 123.23 1wgp s VAL 106 Ca 0.04 -1.36 -0.06 0.00 0.00 0.00 0.00 61.98 60.60 1wgp s VAL 106 Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1wgp s VAL 106 CO 0.02 -0.45 0.11 -0.75 0.00 0.00 0.00 175.10 174.03 1wgp s LYS 107 N -2.15 0.66 -0.54 2.72 2.20 -1.14 -3.20 119.74 118.29 1wgp s LYS 107 Ca -0.02 -0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 54.59 1wgp s LYS 107 Cb -0.07 0.26 0.10 0.00 -1.51 0.00 0.00 37.83 36.61 1wgp s LYS 107 CO 0.00 -0.17 0.56 0.00 -0.36 0.00 0.00 175.35 175.37 1wgp s ALA 108 N -3.00 3.52 -0.16 3.13 0.00 -0.72 -2.78 121.76 121.76 1wgp s ALA 108 Ca -0.02 -2.24 0.16 0.00 0.00 0.00 0.00 51.96 49.86 1wgp s ALA 108 Cb 0.01 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1wgp s ALA 108 CO -0.06 -2.05 1.26 -0.07 0.00 0.00 0.00 175.76 174.83 1wgp h LEU 109 N 9.30 0.00 -8.23 0.00 4.07 -1.90 -3.10 115.31 115.45 1wgp h LEU 109 Ca -0.29 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.53 1wgp h LEU 109 Cb 1.10 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.68 1wgp h LEU 109 CO 1.01 0.47 -0.69 0.28 -1.08 0.00 0.00 178.44 178.44 1wgp s THR 110 N -2.98 0.26 0.10 0.22 -1.32 -1.26 -4.97 115.64 105.69 1wgp s THR 110 Ca 0.02 -1.70 -0.35 0.00 -1.21 0.00 0.00 61.69 58.45 1wgp s THR 110 Cb 0.08 -1.37 -0.18 0.00 -1.51 0.00 0.00 72.50 69.52 1wgp s THR 110 CO 0.76 -0.91 0.96 1.21 -2.21 0.00 0.00 174.62 174.43 1wgp n GLU 111 N 0.30 0.36 -4.16 7.08 2.13 -1.26 -4.63 120.64 120.46 1wgp n GLU 111 Ca -0.15 0.13 -0.11 0.00 0.66 0.00 0.00 57.16 57.68 1wgp n GLU 111 Cb 0.60 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.71 1wgp n GLU 111 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1wgp s VAL 112 N -0.29 0.70 -0.10 6.31 -7.23 -1.25 -4.29 120.40 114.25 1wgp s VAL 112 Ca 0.79 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1wgp s VAL 112 Cb -1.06 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 34.44 1wgp s VAL 112 CO 0.55 -0.77 0.05 -1.61 -0.31 0.00 0.00 175.10 173.02 1wgp s GLU 113 N -3.39 0.20 0.33 4.82 2.02 -0.30 -4.14 118.70 118.24 1wgp s GLU 113 Ca 0.08 0.10 -0.18 0.00 0.02 0.00 0.00 54.97 54.98 1wgp s GLU 113 Cb 0.02 -1.17 0.04 0.00 0.10 0.00 0.00 34.13 33.12 1wgp s GLU 113 CO -0.03 -0.46 0.77 0.00 0.02 0.00 0.00 175.26 175.56 1wgp s ALA 114 N 2.08 -0.98 0.49 5.21 0.00 -1.26 -1.79 121.76 125.52 1wgp s ALA 114 Ca 0.03 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1wgp s ALA 114 Cb -0.14 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1wgp s ALA 114 CO -0.06 -1.01 0.36 -0.06 0.00 0.00 0.00 175.76 174.99 1wgp s PHE 115 N -3.01 2.06 0.14 0.00 0.40 -1.23 -4.05 117.98 112.28 1wgp s PHE 115 Ca 0.14 -0.71 0.10 0.00 -0.60 0.00 0.00 56.93 55.85 1wgp s PHE 115 Cb -0.05 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1wgp s PHE 115 CO 0.09 -0.28 -0.19 0.00 0.70 0.00 0.00 175.22 175.55 1wgp s ALA 116 N -2.67 2.66 -0.05 5.36 0.00 -1.16 -2.76 121.76 123.14 1wgp s ALA 116 Ca 0.39 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1wgp s ALA 116 Cb -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1wgp s ALA 116 CO 0.23 0.54 0.00 -1.17 0.00 0.00 0.00 175.76 175.37 1wgp s LEU 117 N -2.32 0.73 0.23 0.00 1.98 0.18 -2.71 118.68 116.75 1wgp s LEU 117 Ca 0.19 -0.05 -0.19 0.00 -2.89 0.00 0.00 54.13 51.18 1wgp s LEU 117 Cb -0.10 -0.35 -0.08 0.00 0.66 0.00 0.00 46.19 46.32 1wgp s LEU 117 CO 0.10 -0.17 0.72 -0.51 -1.89 0.00 0.00 176.35 174.61 1wgp s ILE 118 N 1.68 4.58 0.06 6.68 2.07 -1.26 0.20 121.20 135.20 1wgp s ILE 118 Ca 0.00 1.26 -0.22 0.00 -1.41 0.00 0.00 60.65 60.29 1wgp s ILE 118 Cb -0.13 -3.85 -0.13 0.00 0.13 0.00 0.00 42.46 38.49 1wgp s ILE 118 CO -0.04 0.19 1.50 0.00 -1.91 0.00 0.00 174.94 174.69 1wgp h ALA 119 N 3.37 0.17 -0.06 1.50 0.00 -1.85 -2.68 119.26 119.70 1wgp h ALA 119 Ca -0.48 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1wgp h ALA 119 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wgp h ALA 119 CO 0.65 -0.15 -0.04 0.22 0.00 0.00 0.00 179.25 179.93 1wgp h ASP 120 N -0.03 -0.14 -1.12 0.00 3.58 -1.94 1.46 116.42 118.23 1wgp h ASP 120 Ca 0.04 0.02 0.33 0.00 0.42 0.00 0.00 57.03 57.83 1wgp h ASP 120 Cb 0.33 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1wgp h ASP 120 CO 0.00 -0.02 0.82 -0.33 -2.88 0.00 0.00 179.24 176.83 1wgp h GLU 121 N -0.00 0.00 0.04 0.28 4.39 -1.98 -0.26 114.58 117.04 1wgp h GLU 121 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wgp h GLU 121 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1wgp h GLU 121 CO -0.06 0.00 -0.02 1.25 -1.16 0.00 0.00 179.01 179.02 1wgp h LEU 122 N 0.00 -0.05 -0.95 1.33 6.46 0.20 -1.09 115.31 121.21 1wgp h LEU 122 Ca 0.53 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 58.52 1wgp h LEU 122 Cb 2.16 0.01 -0.18 0.00 -0.73 0.00 0.00 40.66 41.92 1wgp h LEU 122 CO -0.01 -0.02 -0.11 0.11 -0.62 0.00 0.00 178.44 177.79 1wgp h LYS 123 N -0.08 0.01 0.03 1.25 1.79 0.10 1.47 116.57 121.14 1wgp h LYS 123 Ca -0.01 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1wgp h LYS 123 Cb 0.04 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1wgp h LYS 123 CO 0.01 0.01 -0.04 0.35 -1.08 0.00 0.00 179.45 178.70 1wgp h PHE 124 N 0.01 -0.10 -0.61 -1.35 3.57 -1.12 1.05 116.94 118.40 1wgp h PHE 124 Ca 0.51 0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.19 1wgp h PHE 124 Cb 0.92 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1wgp h PHE 124 CO -0.62 -0.05 0.46 -0.24 -2.23 0.00 0.00 178.31 175.64 1wgp h VAL 125 N -0.07 0.62 -0.29 1.41 3.04 0.14 1.59 116.25 122.68 1wgp h VAL 125 Ca -0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.53 1wgp h VAL 125 Cb 0.06 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1wgp h VAL 125 CO -0.01 0.00 -0.46 0.00 -1.01 0.00 0.00 177.57 176.09 1wgp h ALA 126 N 1.65 0.64 0.17 3.17 0.00 0.29 -3.14 119.26 122.03 1wgp h ALA 126 Ca 0.29 -0.48 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 1wgp h ALA 126 Cb 1.21 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wgp h ALA 126 CO -0.00 0.67 -1.13 0.77 0.00 0.00 0.00 179.25 179.56 1wgp h SER 127 N 0.61 0.56 -0.19 0.00 0.02 0.66 -1.77 113.55 113.45 1wgp h SER 127 Ca 0.04 -0.93 0.02 0.00 -0.84 0.00 0.00 61.79 60.07 1wgp h SER 127 Cb 1.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1wgp h SER 127 CO 0.10 1.53 -0.11 0.00 -1.14 0.00 0.00 176.83 177.21 1wgp n GLN 128 N -3.96 -0.08 -0.05 3.45 1.13 0.49 -3.39 117.38 114.97 1wgp n GLN 128 Ca -0.17 1.03 -0.00 0.00 -1.94 0.00 0.00 57.00 55.92 1wgp n GLN 128 Cb 0.92 -1.54 -0.00 0.00 0.11 0.00 0.00 30.24 29.73 1wgp n GLN 128 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1wgp h PHE 129 N 0.00 0.00 -1.45 1.08 0.04 -1.71 -3.50 116.94 111.39 1wgp h PHE 129 Ca 0.03 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.95 1wgp h PHE 129 Cb 0.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 1wgp h PHE 129 CO -0.90 0.00 -0.19 -2.13 -0.60 0.00 0.00 178.31 174.49 1wgp n ARG 130 N -4.52 -1.07 -2.41 1.51 0.63 -0.66 -4.97 116.66 105.17 1wgp n ARG 130 Ca -0.00 0.71 -0.01 0.00 -0.92 0.00 0.00 57.85 57.62 1wgp n ARG 130 Cb 0.01 -1.31 -0.01 0.00 0.45 0.00 0.00 32.46 31.60 1wgp n ARG 130 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wgp n ARG 131 N -2.01 -4.22 -3.83 -0.14 1.74 -1.26 -5.05 116.66 101.89 1wgp n ARG 131 Ca 0.00 3.10 -0.09 0.00 -0.77 0.00 0.00 57.85 60.09 1wgp n ARG 131 Cb 0.24 -4.08 -0.06 0.00 -1.02 0.00 0.00 32.46 27.55 1wgp n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wgp s SER 132 N -0.51 -0.03 0.96 0.55 1.04 -1.26 -5.01 113.70 109.45 1wgp s SER 132 Ca -0.07 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.60 1wgp s SER 132 Cb 0.00 0.43 0.09 0.00 0.10 0.00 0.00 66.02 66.64 1wgp s SER 132 CO 0.19 -0.86 0.65 0.61 0.98 0.00 0.00 173.24 174.81 1wgp n GLY 133 N -0.18 -1.51 3.77 7.32 0.00 -1.26 -4.94 105.19 108.39 1wgp n GLY 133 Ca -0.12 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1wgp n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgp s PRO 134 N -3.98 4.50 0.11 1.61 0.04 -1.26 -4.81 135.00 131.21 1wgp s PRO 134 Ca 0.60 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 1wgp s PRO 134 Cb -0.21 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.35 1wgp s PRO 134 CO 0.64 0.12 0.28 0.45 0.04 0.00 0.00 177.00 178.53 1wgp s SER 135 N -1.12 -0.01 -0.28 6.66 0.15 -1.26 -5.00 113.70 112.84 1wgp s SER 135 Ca 0.49 -0.58 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 1wgp s SER 135 Cb -0.28 0.40 0.08 0.00 -1.71 0.00 0.00 66.02 64.51 1wgp s SER 135 CO 0.36 -0.80 0.70 -0.44 1.20 0.00 0.00 173.24 174.25 1wgp s SER 136 N -2.86 -0.92 0.00 5.45 0.01 -1.26 -5.13 113.70 108.99 1wgp s SER 136 Ca 0.06 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1wgp s SER 136 Cb 0.03 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.66 1wgp s SER 136 CO -0.09 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.93