#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 0.00 -3.48 1.61 7.64 -1.26 -5.15 113.62 112.98 1wgp n SER 2 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1wgp n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1wgp n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgp s SER 3 N 0.00 -0.58 0.00 6.43 0.15 -1.26 -5.11 113.70 113.32 1wgp s SER 3 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1wgp s SER 3 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1wgp s SER 3 CO 0.00 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1wgp n GLY 4 N 0.26 4.28 3.84 9.45 0.00 -1.26 -5.11 105.19 116.65 1wgp n GLY 4 Ca -0.17 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.63 1wgp n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgp s SER 5 N 0.90 -0.01 0.43 1.61 0.15 -1.26 -5.08 113.70 110.44 1wgp s SER 5 Ca 0.00 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1wgp s SER 5 Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1wgp s SER 5 CO 0.00 -0.26 0.00 -1.20 1.20 0.00 0.00 173.24 172.98 1wgp n SER 6 N -0.85 -8.32 0.00 5.45 7.64 -1.26 -4.94 113.62 111.34 1wgp n SER 6 Ca -0.01 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1wgp n SER 6 Cb 0.60 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 1wgp n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 7 N -0.41 2.24 2.81 0.23 0.00 -1.26 -4.93 105.19 103.87 1wgp n GLY 7 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 5.42 -1.58 1.61 0.24 -1.26 -4.86 118.33 117.91 1wgp n VAL 8 Ca 0.00 -5.91 -0.37 0.00 -2.04 0.00 0.00 64.34 56.02 1wgp n VAL 8 Cb 0.00 -1.81 -0.03 0.00 -1.47 0.00 0.00 33.84 30.53 1wgp n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wgp s ARG 9 N -3.50 2.17 -1.68 7.34 1.81 -1.26 -2.82 118.95 121.02 1wgp s ARG 9 Ca 0.36 1.41 -0.11 0.00 -1.72 0.00 0.00 55.73 55.67 1wgp s ARG 9 Cb 0.13 -4.57 0.11 0.00 -0.45 0.00 0.00 34.95 30.17 1wgp s ARG 9 CO -0.01 -3.20 0.37 -2.13 -0.68 0.00 0.00 175.30 169.65 1wgp n ARG 10 N 9.00 -1.42 -2.72 3.54 3.00 -1.26 -4.85 116.66 121.95 1wgp n ARG 10 Ca 0.36 0.18 -0.42 0.00 -0.00 0.00 0.00 57.85 57.97 1wgp n ARG 10 Cb 0.54 -4.30 -0.03 0.00 0.00 0.00 0.00 32.46 28.67 1wgp n ARG 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wgp s VAL 11 N -3.78 4.83 0.15 5.15 1.01 -1.13 -4.93 120.40 121.71 1wgp s VAL 11 Ca 0.40 2.00 0.13 0.00 0.00 0.00 0.00 61.98 64.52 1wgp s VAL 11 Cb -0.23 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 1wgp s VAL 11 CO 0.99 0.08 1.55 1.55 0.00 0.00 0.00 175.10 179.27 1wgp h PRO 12 N 6.98 0.00 -0.47 2.72 0.13 -1.94 -3.32 132.00 136.10 1wgp h PRO 12 Ca -0.35 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1wgp h PRO 12 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1wgp h PRO 12 CO 0.81 0.61 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.80 1wgp h LEU 13 N 0.00 -1.16 -4.92 1.56 3.38 -2.00 -0.02 115.31 112.15 1wgp h LEU 13 Ca -0.01 0.17 -0.44 0.00 0.09 0.00 0.00 57.88 57.69 1wgp h LEU 13 Cb 1.22 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1wgp h LEU 13 CO 0.08 -0.15 2.40 0.49 0.09 0.00 0.00 178.44 181.34 1wgp n PHE 14 N -4.23 1.45 0.04 1.13 3.72 -1.25 -4.33 117.46 113.99 1wgp n PHE 14 Ca 0.00 -2.25 -0.21 0.00 -0.05 0.00 0.00 57.45 54.94 1wgp n PHE 14 Cb 0.16 -1.95 -0.14 0.00 -0.94 0.00 0.00 39.48 36.60 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 5.02 0.30 0.00 -1.08 4.39 -1.22 -3.33 114.58 118.65 1wgp h GLU 15 Ca 0.57 -0.50 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 1wgp h GLU 15 Cb 0.50 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1wgp h GLU 15 CO 1.28 1.24 -0.81 -2.95 -1.16 0.00 0.00 179.01 176.61 1wgp h ASN 16 N -0.30 0.00 -2.81 1.42 -1.07 -1.84 -3.46 115.58 107.52 1wgp h ASN 16 Ca -0.22 0.00 -0.55 0.00 0.07 0.00 0.00 56.30 55.60 1wgp h ASN 16 Cb 1.74 0.00 0.21 0.00 -2.07 0.00 0.00 38.32 38.20 1wgp h ASN 16 CO 0.12 0.78 -0.96 0.23 0.07 0.00 0.00 177.43 177.67 1wgp n MET 17 N -3.28 -0.02 -4.14 4.14 2.81 -1.25 -4.99 117.12 110.38 1wgp n MET 17 Ca 0.00 0.02 -0.25 0.00 -1.81 0.00 0.00 57.70 55.67 1wgp n MET 17 Cb 0.85 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 31.79 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 -1.48 5.26 0.17 7.83 1.11 -1.26 -4.95 116.67 123.35 1wgp s ASP 18 Ca 0.54 -0.28 -0.26 0.00 0.18 0.00 0.00 52.55 52.74 1wgp s ASP 18 Cb -0.26 -1.28 0.03 0.00 1.07 0.00 0.00 42.92 42.48 1wgp s ASP 18 CO 0.69 0.03 1.57 -0.33 1.18 0.00 0.00 175.17 178.31 1wgp h GLU 19 N 2.13 -0.22 -0.91 8.23 5.08 -1.98 1.04 114.58 127.95 1wgp h GLU 19 Ca -0.47 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1wgp h GLU 19 Cb 1.22 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1wgp h GLU 19 CO 0.61 -0.15 0.62 0.00 -1.00 0.00 0.00 179.01 179.10 1wgp h ARG 20 N -0.23 0.23 0.01 2.33 2.47 -1.99 0.90 114.38 118.10 1wgp h ARG 20 Ca 0.18 -0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.69 1wgp h ARG 20 Cb 0.56 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1wgp h ARG 20 CO -0.69 0.15 -0.91 1.25 0.56 0.00 0.00 179.97 180.33 1wgp h LEU 21 N 0.24 0.10 0.54 3.04 5.85 0.40 -2.01 115.31 123.47 1wgp h LEU 21 Ca 0.46 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1wgp h LEU 21 Cb 1.43 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.43 1wgp h LEU 21 CO -0.12 0.96 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.61 1wgp h LEU 22 N 0.03 -0.61 -0.21 2.25 -0.00 0.62 -0.28 115.31 117.11 1wgp h LEU 22 Ca -0.03 -0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1wgp h LEU 22 Cb 1.58 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 42.37 1wgp h LEU 22 CO 0.13 -0.26 -0.01 -0.78 -0.00 0.00 0.00 178.44 177.52 1wgp h ASP 23 N -1.00 -0.10 -0.04 -0.43 3.58 -1.03 0.36 116.42 117.76 1wgp h ASP 23 Ca -0.07 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.44 1wgp h ASP 23 Cb 0.63 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 1wgp h ASP 23 CO 0.12 -0.02 -0.32 0.00 -2.88 0.00 0.00 179.24 176.14 1wgp h ALA 24 N 1.19 -0.74 -0.80 -0.78 0.00 -1.35 1.39 119.26 118.17 1wgp h ALA 24 Ca 0.10 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1wgp h ALA 24 Cb 0.13 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1wgp h ALA 24 CO -0.18 -0.84 0.54 0.82 0.00 0.00 0.00 179.25 179.59 1wgp h ILE 25 N -0.37 0.72 0.71 0.00 2.04 -0.80 -0.90 117.51 118.91 1wgp h ILE 25 Ca 0.01 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1wgp h ILE 25 Cb 0.41 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1wgp h ILE 25 CO -0.23 0.06 -0.34 0.00 0.00 0.00 0.00 178.15 177.63 1wgp h GLU 27 N -1.18 0.10 -0.90 0.00 5.08 0.29 1.26 114.58 119.23 1wgp h GLU 27 Ca -0.10 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1wgp h GLU 27 Cb 0.73 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1wgp h GLU 27 CO 0.16 0.07 0.49 0.00 -1.00 0.00 0.00 179.01 178.73 1wgp h ARG 28 N 0.11 1.26 -6.01 2.33 -0.00 -0.88 -3.43 114.38 107.76 1wgp h ARG 28 Ca 0.70 -0.15 -0.86 0.00 -0.50 0.00 0.00 59.98 59.18 1wgp h ARG 28 Cb 2.45 -0.25 0.02 0.00 0.00 0.00 0.00 29.97 32.19 1wgp h ARG 28 CO -0.18 0.93 0.63 1.28 0.00 0.00 0.00 179.97 182.63 1wgp n LEU 29 N -4.33 1.16 -4.85 3.04 4.77 0.43 -4.88 117.00 112.34 1wgp n LEU 29 Ca 0.10 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.94 1wgp n LEU 29 Cb 0.10 -0.91 -0.05 0.00 -2.33 0.00 0.00 43.42 40.23 1wgp n LEU 29 CO 0.39 -0.94 -0.20 -0.54 -1.33 0.00 0.00 177.39 174.77 1wgp s LYS 30 N 2.66 3.21 -0.40 3.23 -0.14 -1.19 -4.94 119.74 122.17 1wgp s LYS 30 Ca 1.03 -0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 54.84 1wgp s LYS 30 Cb -1.44 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 31.80 1wgp s LYS 30 CO 0.78 0.61 1.41 -1.25 -0.76 0.00 0.00 175.35 176.13 1wgp s PRO 31 N -2.28 3.60 0.19 -1.68 0.04 -1.26 -3.55 135.00 130.06 1wgp s PRO 31 Ca 0.30 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 1wgp s PRO 31 Cb -0.13 -4.01 0.03 0.00 0.04 0.00 0.00 34.50 30.43 1wgp s PRO 31 CO 0.23 -1.53 0.52 0.00 0.04 0.00 0.00 177.00 176.26 1wgp s LEU 33 N -2.87 1.87 -0.27 0.00 2.96 -1.26 -4.53 118.68 114.57 1wgp s LEU 33 Ca 0.09 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 1wgp s LEU 33 Cb -0.01 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 1wgp s LEU 33 CO -0.03 -0.44 0.15 -0.36 -1.32 0.00 0.00 176.35 174.35 1wgp s PHE 34 N -2.15 3.17 0.00 5.38 0.08 -1.23 -5.05 117.98 118.17 1wgp s PHE 34 Ca -0.09 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1wgp s PHE 34 Cb -0.04 -2.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 1wgp s PHE 34 CO -0.03 -0.27 0.00 0.25 -0.10 0.00 0.00 175.22 175.07 1wgp n THR 35 N 5.01 0.00 -2.27 0.64 -2.24 -1.26 -2.94 114.28 111.22 1wgp n THR 35 Ca -0.15 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1wgp n THR 35 Cb 0.51 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.86 4.37 -0.98 -0.78 -1.05 -1.26 -2.69 118.70 114.44 1wgp s GLU 36 Ca 0.00 1.99 -0.00 0.00 -0.15 0.00 0.00 54.97 56.81 1wgp s GLU 36 Cb 0.00 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1wgp s GLU 36 CO 0.00 -0.10 0.01 1.63 0.95 0.00 0.00 175.26 177.76 1wgp n LYS 37 N 0.74 -0.99 -3.67 -4.83 5.02 -1.10 -4.99 118.16 108.33 1wgp n LYS 37 Ca 0.01 0.56 -0.39 0.00 -2.02 0.00 0.00 58.31 56.47 1wgp n LYS 37 Cb 0.44 -4.69 -0.12 0.00 -0.02 0.00 0.00 35.03 30.64 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 -2.50 5.48 -0.25 4.39 0.01 -1.10 -4.97 113.70 114.76 1wgp s SER 38 Ca 0.01 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.42 1wgp s SER 38 Cb -0.00 -1.97 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1wgp s SER 38 CO 0.01 -0.24 0.46 -0.31 0.41 0.00 0.00 173.24 173.57 1wgp s TYR 39 N 1.57 3.28 -0.12 2.43 2.02 -1.26 -1.82 117.35 123.44 1wgp s TYR 39 Ca 0.03 0.57 -0.25 0.00 -0.37 0.00 0.00 57.07 57.05 1wgp s TYR 39 Cb -0.18 -2.65 -0.22 0.00 -0.40 0.00 0.00 41.96 38.51 1wgp s TYR 39 CO 0.05 -0.23 0.74 -0.07 -1.57 0.00 0.00 175.55 174.48 1wgp h LEU 40 N 8.57 -0.01 -7.86 -1.29 4.07 -1.93 -3.47 115.31 113.38 1wgp h LEU 40 Ca -0.31 -0.80 -0.16 0.00 0.08 0.00 0.00 57.88 56.69 1wgp h LEU 40 Cb 1.15 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.68 1wgp h LEU 40 CO 0.69 0.85 -0.60 0.68 -1.08 0.00 0.00 178.44 178.98 1wgp s VAL 41 N -2.43 0.09 0.17 1.22 -7.23 -1.26 -4.95 120.40 106.01 1wgp s VAL 41 Ca -0.16 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1wgp s VAL 41 Cb -0.02 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 1wgp s VAL 41 CO 0.60 -0.42 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.73 1wgp s ARG 42 N -1.34 1.14 -0.53 4.82 0.52 -1.25 -2.47 118.95 119.84 1wgp s ARG 42 Ca -0.14 -1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 53.35 1wgp s ARG 42 Cb -0.08 -0.76 0.05 0.00 0.52 0.00 0.00 34.95 34.68 1wgp s ARG 42 CO 0.00 0.10 0.77 -2.00 0.02 0.00 0.00 175.30 174.19 1wgp s GLU 43 N -3.72 3.20 0.00 3.54 2.12 -1.26 -3.74 118.70 118.84 1wgp s GLU 43 Ca 0.19 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1wgp s GLU 43 Cb 0.02 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.32 1wgp s GLU 43 CO 0.03 -1.36 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 1wgp n GLY 44 N 5.16 0.56 3.88 -1.50 0.00 -1.24 -5.05 105.19 106.99 1wgp n GLY 44 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.89 6.43 0.98 1.61 -4.77 -1.25 -4.94 116.67 113.85 1wgp s ASP 45 Ca 0.00 1.18 -0.15 0.00 -3.30 0.00 0.00 52.55 50.28 1wgp s ASP 45 Cb 0.00 -2.35 0.18 0.00 -1.09 0.00 0.00 42.92 39.66 1wgp s ASP 45 CO 0.00 -0.53 1.17 -2.16 0.70 0.00 0.00 175.17 174.35 1wgp s PRO 46 N -4.28 0.53 -0.33 2.11 0.04 -1.26 -3.13 135.00 128.67 1wgp s PRO 46 Ca 0.52 0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1wgp s PRO 46 Cb -0.10 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.74 1wgp s PRO 46 CO 0.38 -2.57 0.05 0.08 0.04 0.00 0.00 177.00 174.98 1wgp s VAL 47 N -3.36 2.56 -0.07 -0.36 1.01 0.27 -4.75 120.40 115.71 1wgp s VAL 47 Ca 0.68 -2.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.38 1wgp s VAL 47 Cb -0.11 -2.74 -0.26 0.00 0.00 0.00 0.00 36.38 33.27 1wgp s VAL 47 CO 0.54 -0.45 0.94 -1.13 0.00 0.00 0.00 175.10 175.00 1wgp h ASN 48 N 7.78 0.26 -5.07 3.32 -0.73 -1.96 -3.39 115.58 115.80 1wgp h ASN 48 Ca -0.11 -0.87 -0.13 0.00 1.87 0.00 0.00 56.30 57.06 1wgp h ASN 48 Cb 1.03 -0.08 -0.18 0.00 0.27 0.00 0.00 38.32 39.36 1wgp h ASN 48 CO 0.55 1.11 -0.54 -1.83 -0.37 0.00 0.00 177.43 176.34 1wgp s GLU 49 N -2.75 0.55 0.11 6.67 1.03 -1.26 -2.91 118.70 120.14 1wgp s GLU 49 Ca -0.16 -0.71 -0.04 0.00 0.03 0.00 0.00 54.97 54.09 1wgp s GLU 49 Cb 0.00 0.21 -0.05 0.00 -0.80 0.00 0.00 34.13 33.49 1wgp s GLU 49 CO 0.76 -0.13 0.33 1.41 -1.33 0.00 0.00 175.26 176.30 1wgp s MET 50 N -2.40 3.58 -0.20 -4.83 1.75 0.52 -4.82 119.30 112.90 1wgp s MET 50 Ca -0.07 -0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 1wgp s MET 50 Cb -0.02 -2.92 0.02 0.00 2.84 0.00 0.00 34.83 34.75 1wgp s MET 50 CO -0.04 0.52 -0.16 -0.51 -0.65 0.00 0.00 175.02 174.18 1wgp s LEU 51 N -2.50 2.47 -0.46 4.11 2.01 -1.26 0.40 118.68 123.45 1wgp s LEU 51 Ca 0.38 -0.75 -0.18 0.00 0.01 0.00 0.00 54.13 53.58 1wgp s LEU 51 Cb -0.12 -1.53 0.04 0.00 0.01 0.00 0.00 46.19 44.59 1wgp s LEU 51 CO 0.24 -0.04 0.54 -0.36 1.01 0.00 0.00 176.35 177.74 1wgp s PHE 52 N 1.28 3.11 0.01 0.29 0.08 -0.81 -4.03 117.98 117.91 1wgp s PHE 52 Ca 0.03 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 1wgp s PHE 52 Cb -0.14 -3.22 -0.08 0.00 -0.57 0.00 0.00 43.02 39.01 1wgp s PHE 52 CO -0.10 -0.86 1.80 0.42 -0.10 0.00 0.00 175.22 176.38 1wgp s ILE 53 N 2.41 3.21 -0.27 0.64 -1.09 -1.26 -3.39 121.20 121.45 1wgp s ILE 53 Ca 0.15 0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 1wgp s ILE 53 Cb -0.18 -3.22 -0.12 0.00 -1.58 0.00 0.00 42.46 37.36 1wgp s ILE 53 CO 0.14 -0.03 -0.33 -0.38 -1.23 0.00 0.00 174.94 173.11 1wgp n ILE 54 N 5.38 1.48 -3.64 2.92 2.08 -1.14 -3.96 119.36 122.48 1wgp n ILE 54 Ca 0.18 -0.41 -0.03 0.00 0.56 0.00 0.00 62.75 63.06 1wgp n ILE 54 Cb 0.41 -1.79 -0.07 0.00 -0.75 0.00 0.00 39.64 37.44 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 -2.50 0.34 0.00 0.38 0.52 -0.90 -4.68 118.95 112.12 1wgp s ARG 55 Ca -0.37 0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 1wgp s ARG 55 Cb 0.14 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1wgp s ARG 55 CO 0.49 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.16 1wgp n GLY 56 N 3.30 -0.08 3.17 -3.53 0.00 -1.26 -1.90 105.19 104.89 1wgp n GLY 56 Ca -0.17 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1wgp n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgp s ARG 57 N -2.00 0.46 0.24 1.61 6.06 -1.26 -4.80 118.95 119.25 1wgp s ARG 57 Ca 0.00 0.02 -0.08 0.00 -2.50 0.00 0.00 55.73 53.16 1wgp s ARG 57 Cb 0.00 0.21 -0.02 0.00 0.06 0.00 0.00 34.95 35.20 1wgp s ARG 57 CO 0.00 -0.10 0.36 -0.51 -2.50 0.00 0.00 175.30 172.56 1wgp s LEU 58 N -0.66 0.63 -0.17 -0.88 1.02 -1.26 -4.39 118.68 112.96 1wgp s LEU 58 Ca -0.08 -1.11 0.01 0.00 0.02 0.00 0.00 54.13 52.97 1wgp s LEU 58 Cb -0.04 1.30 0.02 0.00 0.02 0.00 0.00 46.19 47.49 1wgp s LEU 58 CO 0.02 -1.05 -0.17 -1.83 0.02 0.00 0.00 176.35 173.34 1wgp s GLU 59 N -4.01 2.64 -0.13 1.70 -1.05 -0.79 -4.31 118.70 112.76 1wgp s GLU 59 Ca 0.28 -0.76 -0.10 0.00 -0.15 0.00 0.00 54.97 54.25 1wgp s GLU 59 Cb 0.02 -2.41 -0.05 0.00 -0.44 0.00 0.00 34.13 31.25 1wgp s GLU 59 CO 0.11 -0.25 0.19 -1.54 0.95 0.00 0.00 175.26 174.72 1wgp s SER 60 N 1.36 6.41 0.03 0.83 1.04 -0.67 -1.45 113.70 121.25 1wgp s SER 60 Ca 0.04 0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 1wgp s SER 60 Cb -0.13 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1wgp s SER 60 CO -0.11 0.31 0.07 -0.69 0.98 0.00 0.00 173.24 173.80 1wgp s VAL 61 N -0.55 0.13 0.06 5.02 1.01 0.11 -0.26 120.40 125.93 1wgp s VAL 61 Ca 0.15 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1wgp s VAL 61 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1wgp s VAL 61 CO 0.04 -0.60 -0.12 0.28 0.00 0.00 0.00 175.10 174.69 1wgp s THR 62 N -2.45 0.96 -0.37 3.92 -1.32 -1.06 -1.94 115.64 113.38 1wgp s THR 62 Ca -0.06 -1.19 0.05 0.00 -1.21 0.00 0.00 61.69 59.27 1wgp s THR 62 Cb -0.02 -0.94 0.32 0.00 -1.51 0.00 0.00 72.50 70.35 1wgp s THR 62 CO -0.04 -0.23 1.31 1.07 -2.21 0.00 0.00 174.62 174.52 1wgp n THR 63 N 1.43 0.00 -1.03 5.08 5.66 -1.26 -3.24 114.28 120.91 1wgp n THR 63 Ca -0.21 -0.94 -0.30 0.00 -3.05 0.00 0.00 64.05 59.55 1wgp n THR 63 Cb 0.54 1.21 0.16 0.00 -1.55 0.00 0.00 70.33 70.69 1wgp n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1wgp s ASP 64 N -0.56 2.97 0.00 1.09 -4.77 -1.26 -3.77 116.67 110.38 1wgp s ASP 64 Ca 0.21 1.57 0.00 0.00 -3.30 0.00 0.00 52.55 51.03 1wgp s ASP 64 Cb 0.29 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.89 1wgp s ASP 64 CO -0.15 -2.97 0.00 0.61 0.70 0.00 0.00 175.17 173.37 1wgp n GLY 65 N -0.65 1.81 1.70 2.12 0.00 -1.26 -4.92 105.19 103.99 1wgp n GLY 65 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.78 5.00 -0.02 0.00 -1.25 -4.97 105.19 102.17 1wgp n GLY 66 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1wgp n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wgp n ARG 67 N 0.00 0.00 -3.60 1.61 0.63 -1.26 -4.69 116.66 109.35 1wgp n ARG 67 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1wgp n ARG 67 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1wgp n ARG 67 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wgp s SER 68 N 0.00 -0.25 0.00 6.15 0.15 -1.26 -5.18 113.70 113.31 1wgp s SER 68 Ca 0.00 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1wgp s SER 68 Cb 0.00 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wgp s SER 68 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wgp n GLY 69 N 0.64 3.92 3.68 9.45 0.00 -1.26 -5.07 105.19 116.53 1wgp n GLY 69 Ca -0.07 -0.37 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 1wgp n GLY 69 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wgp n PHE 70 N -1.07 2.30 -2.81 1.61 7.35 -1.26 -4.91 117.46 118.67 1wgp n PHE 70 Ca 0.00 0.11 -0.42 0.00 -0.76 0.00 0.00 57.45 56.38 1wgp n PHE 70 Cb 0.00 -2.61 -0.04 0.00 0.35 0.00 0.00 39.48 37.18 1wgp n PHE 70 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1wgp s TYR 71 N 2.68 3.25 -0.52 -5.13 1.51 -1.26 -4.91 117.35 112.96 1wgp s TYR 71 Ca 0.87 1.12 -0.27 0.00 -1.01 0.00 0.00 57.07 57.78 1wgp s TYR 71 Cb -0.69 -3.28 0.03 0.00 -0.11 0.00 0.00 41.96 37.92 1wgp s TYR 71 CO 0.46 -0.54 1.05 -0.80 -1.11 0.00 0.00 175.55 174.60 1wgp s ASN 72 N 1.46 6.47 0.08 2.29 -0.87 -1.20 -4.92 114.94 118.25 1wgp s ASN 72 Ca 0.38 0.07 -0.21 0.00 -1.57 0.00 0.00 52.86 51.53 1wgp s ASN 72 Cb -0.14 -2.50 -0.07 0.00 -0.02 0.00 0.00 41.25 38.52 1wgp s ASN 72 CO 0.10 -1.26 0.64 -0.60 -2.57 0.00 0.00 177.10 173.41 1wgp s ARG 73 N 4.30 4.33 0.26 -0.60 3.52 -1.26 -2.56 118.95 126.94 1wgp s ARG 73 Ca 0.39 0.86 -0.03 0.00 -0.13 0.00 0.00 55.73 56.82 1wgp s ARG 73 Cb -0.09 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1wgp s ARG 73 CO 0.26 0.54 0.32 -1.12 -0.81 0.00 0.00 175.30 174.49 1wgp s SER 74 N -0.84 0.46 0.13 -2.12 0.01 0.65 -5.01 113.70 106.98 1wgp s SER 74 Ca 0.32 -1.34 0.05 0.00 1.31 0.00 0.00 55.95 56.29 1wgp s SER 74 Cb -0.20 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1wgp s SER 74 CO 0.21 -1.05 -0.11 -0.22 0.41 0.00 0.00 173.24 172.47 1wgp s LEU 75 N -3.17 2.46 0.37 2.44 2.96 -1.26 -1.68 118.68 120.81 1wgp s LEU 75 Ca 0.33 -0.90 0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1wgp s LEU 75 Cb 0.03 -0.40 -0.07 0.00 0.50 0.00 0.00 46.19 46.25 1wgp s LEU 75 CO 0.15 -0.25 0.04 -0.76 -1.32 0.00 0.00 176.35 174.21 1wgp s LEU 76 N -2.78 2.46 0.00 -0.68 1.43 -1.26 -4.92 118.68 112.93 1wgp s LEU 76 Ca 0.12 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 1wgp s LEU 76 Cb -0.01 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 1wgp s LEU 76 CO 0.01 -0.57 0.02 2.29 0.23 0.00 0.00 176.35 178.33 1wgp n LYS 77 N -0.84 1.13 -2.49 1.70 2.85 -1.26 -4.73 118.16 114.52 1wgp n LYS 77 Ca -0.04 -0.71 -0.43 0.00 -1.05 0.00 0.00 58.31 56.07 1wgp n LYS 77 Cb 0.67 0.33 -0.02 0.00 -0.65 0.00 0.00 35.03 35.35 1wgp n LYS 77 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1wgp s GLU 78 N -2.33 4.28 0.00 -1.58 8.01 -1.26 -3.06 118.70 122.76 1wgp s GLU 78 Ca 0.03 1.60 0.00 0.00 0.01 0.00 0.00 54.97 56.61 1wgp s GLU 78 Cb 0.00 -3.68 0.00 0.00 -4.31 0.00 0.00 34.13 26.15 1wgp s GLU 78 CO 0.02 -0.60 0.00 0.41 0.01 0.00 0.00 175.26 175.10 1wgp n GLY 79 N 3.47 1.23 3.75 -1.39 0.00 -1.25 -5.09 105.19 105.90 1wgp n GLY 79 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1wgp n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wgp s ASP 80 N -1.27 7.60 0.42 1.61 1.01 -1.17 -4.93 116.67 119.93 1wgp s ASP 80 Ca 0.00 1.97 0.07 0.00 0.71 0.00 0.00 52.55 55.30 1wgp s ASP 80 Cb 0.00 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1wgp s ASP 80 CO 0.00 0.11 0.13 0.72 0.21 0.00 0.00 175.17 176.34 1wgp s PHE 81 N -1.08 2.56 0.22 4.23 -0.12 -1.26 -4.12 117.98 118.41 1wgp s PHE 81 Ca 0.42 -0.62 0.11 0.00 -0.05 0.00 0.00 56.93 56.79 1wgp s PHE 81 Cb -0.26 -1.90 -0.05 0.00 -0.63 0.00 0.00 43.02 40.18 1wgp s PHE 81 CO 0.33 0.26 -0.22 0.00 -0.05 0.00 0.00 175.22 175.54 1wgp n GLY 83 N -0.08 -0.36 0.29 0.00 0.00 -1.26 -4.58 105.19 99.19 1wgp n GLY 83 Ca -0.10 0.23 0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.98 0.00 -1.01 1.61 2.03 -1.98 -2.74 116.42 112.35 1wgp h ASP 84 Ca -0.66 0.00 0.23 0.00 -0.73 0.00 0.00 57.03 55.88 1wgp h ASP 84 Cb 1.36 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.75 1wgp h ASP 84 CO 0.62 0.00 0.62 -0.33 -1.03 0.00 0.00 179.24 179.12 1wgp h GLU 85 N 0.00 0.55 -0.67 4.15 4.39 -1.94 0.25 114.58 121.31 1wgp h GLU 85 Ca 0.00 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.80 1wgp h GLU 85 Cb 0.37 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 28.79 1wgp h GLU 85 CO 0.00 0.36 0.13 1.25 -1.16 0.00 0.00 179.01 179.59 1wgp h LEU 86 N 0.56 -0.04 -0.42 1.33 5.85 -1.85 1.08 115.31 121.82 1wgp h LEU 86 Ca 0.60 0.14 0.08 0.00 0.84 0.00 0.00 57.88 59.54 1wgp h LEU 86 Cb 1.22 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 1wgp h LEU 86 CO -0.37 -0.03 -0.11 0.25 -0.34 0.00 0.00 178.44 177.84 1wgp h LEU 87 N 0.24 -0.40 -0.45 2.25 5.85 -0.70 -0.66 115.31 121.44 1wgp h LEU 87 Ca 0.36 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 59.09 1wgp h LEU 87 Cb 0.59 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1wgp h LEU 87 CO -0.48 -0.14 -0.18 0.74 -0.34 0.00 0.00 178.44 178.04 1wgp h THR 88 N -0.01 1.27 -0.51 1.05 2.02 -0.76 -2.49 112.91 113.49 1wgp h THR 88 Ca 0.20 -1.33 0.08 0.00 0.77 0.00 0.00 66.41 66.12 1wgp h THR 88 Cb 0.31 1.17 -0.10 0.00 -1.74 0.00 0.00 68.15 67.79 1wgp h THR 88 CO -0.43 0.46 -0.44 -0.25 0.37 0.00 0.00 175.52 175.22 1wgp h TRP 89 N 0.77 -1.31 -0.20 3.16 7.01 0.25 1.43 115.95 127.06 1wgp h TRP 89 Ca 0.11 0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1wgp h TRP 89 Cb 0.75 0.64 -0.04 0.00 -2.10 0.00 0.00 29.16 28.42 1wgp h TRP 89 CO 0.05 -0.43 -0.06 0.00 -2.79 0.00 0.00 178.44 175.21 1wgp h ALA 90 N 0.50 0.12 -0.19 2.65 0.00 -1.12 0.22 119.26 121.44 1wgp h ALA 90 Ca 0.16 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1wgp h ALA 90 Cb 0.57 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wgp h ALA 90 CO -0.64 -0.49 0.20 -0.07 0.00 0.00 0.00 179.25 178.25 1wgp h LEU 91 N -0.02 0.00 -8.76 0.00 4.07 -0.25 -3.37 115.31 106.98 1wgp h LEU 91 Ca 0.10 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.43 1wgp h LEU 91 Cb 0.17 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.77 1wgp h LEU 91 CO -0.21 0.00 0.17 -1.81 -1.08 0.00 0.00 178.44 175.50 1wgp s ASP 92 N -5.85 6.42 0.09 -0.43 1.01 0.46 -4.93 116.67 113.46 1wgp s ASP 92 Ca -0.05 0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.19 1wgp s ASP 92 Cb 0.15 -2.33 -0.19 0.00 1.01 0.00 0.00 42.92 41.57 1wgp s ASP 92 CO 0.56 -0.63 1.25 1.55 0.21 0.00 0.00 175.17 178.10 1wgp h PRO 93 N 8.52 0.71 -1.00 8.23 0.13 -1.76 -3.18 132.00 143.64 1wgp h PRO 93 Ca -0.26 -0.69 0.15 0.00 -0.87 0.00 0.00 66.00 64.33 1wgp h PRO 93 Cb 1.11 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1wgp h PRO 93 CO 0.85 1.28 0.62 0.87 -0.23 0.00 0.00 178.00 181.39 1wgp h LYS 94 N 0.43 0.86 -6.91 0.86 1.79 -1.91 -3.40 116.57 108.29 1wgp h LYS 94 Ca -0.10 -0.05 -0.47 0.00 -2.18 0.00 0.00 60.65 57.85 1wgp h LYS 94 Cb 1.58 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1wgp h LYS 94 CO 0.19 0.57 0.36 0.45 -1.08 0.00 0.00 179.45 179.93 1wgp s SER 95 N -5.58 7.22 0.00 0.86 0.15 -1.20 -5.00 113.70 110.14 1wgp s SER 95 Ca -0.12 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.40 1wgp s SER 95 Cb 0.23 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1wgp s SER 95 CO 0.81 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1wgp n GLY 96 N 0.43 -1.91 5.19 9.45 0.00 -1.26 -4.90 105.19 112.20 1wgp n GLY 96 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 1.67 0.00 -4.65 1.61 7.64 -1.26 -4.69 113.62 113.94 1wgp n SER 97 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1wgp n SER 97 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.79 6.66 0.83 6.43 -0.87 -1.26 -5.04 114.94 119.90 1wgp s ASN 98 Ca 0.00 0.81 -0.12 0.00 -1.57 0.00 0.00 52.86 51.98 1wgp s ASN 98 Cb 0.00 -2.35 0.10 0.00 -0.02 0.00 0.00 41.25 38.98 1wgp s ASN 98 CO 0.00 -0.31 1.19 -0.76 -2.57 0.00 0.00 177.10 174.64 1wgp s LEU 99 N 2.13 3.06 0.89 0.60 1.43 -1.26 -4.99 118.68 120.54 1wgp s LEU 99 Ca 0.28 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1wgp s LEU 99 Cb -0.16 -4.58 0.13 0.00 0.03 0.00 0.00 46.19 41.61 1wgp s LEU 99 CO 0.10 -2.76 1.13 -2.16 0.23 0.00 0.00 176.35 172.88 1wgp s PRO 100 N -4.29 1.31 -0.06 1.29 0.04 -1.26 -4.66 135.00 127.37 1wgp s PRO 100 Ca 0.71 0.35 0.06 0.00 0.04 0.00 0.00 61.00 62.16 1wgp s PRO 100 Cb -0.27 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wgp s PRO 100 CO 0.52 -2.09 -0.25 -1.12 0.04 0.00 0.00 177.00 174.11 1wgp s SER 101 N -4.01 3.01 0.59 6.66 0.01 -1.26 0.97 113.70 119.67 1wgp s SER 101 Ca 0.63 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.23 1wgp s SER 101 Cb -0.15 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.18 1wgp s SER 101 CO 0.53 0.23 1.05 -0.55 0.41 0.00 0.00 173.24 174.91 1wgp s SER 102 N -0.12 5.90 -0.00 2.44 0.15 -1.18 -4.95 113.70 115.94 1wgp s SER 102 Ca -0.05 1.77 0.10 0.00 0.70 0.00 0.00 55.95 58.48 1wgp s SER 102 Cb -0.14 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.52 1wgp s SER 102 CO 0.04 -1.08 0.42 1.07 1.20 0.00 0.00 173.24 174.89 1wgp n THR 103 N -2.01 0.00 -4.54 6.45 5.66 -1.26 -3.63 114.28 114.94 1wgp n THR 103 Ca 0.08 -0.25 -0.30 0.00 -3.05 0.00 0.00 64.05 60.53 1wgp n THR 103 Cb 0.53 0.90 -0.12 0.00 -1.55 0.00 0.00 70.33 70.09 1wgp n THR 103 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1wgp s ARG 104 N -2.09 1.89 -0.35 1.09 3.52 -1.26 -4.84 118.95 116.91 1wgp s ARG 104 Ca 0.03 -1.09 -0.01 0.00 -0.13 0.00 0.00 55.73 54.53 1wgp s ARG 104 Cb 0.08 -2.12 0.08 0.00 -1.56 0.00 0.00 34.95 31.44 1wgp s ARG 104 CO 0.43 0.51 0.09 0.99 -0.81 0.00 0.00 175.30 176.51 1wgp s THR 105 N -1.00 2.94 0.17 4.11 2.01 -0.82 -3.87 115.64 119.18 1wgp s THR 105 Ca 0.15 -1.86 0.05 0.00 0.31 0.00 0.00 61.69 60.35 1wgp s THR 105 Cb -0.10 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1wgp s THR 105 CO 0.07 -0.44 0.13 -0.69 -0.69 0.00 0.00 174.62 173.00 1wgp s VAL 106 N 1.13 4.46 0.08 3.82 1.01 -1.03 -0.71 120.40 129.17 1wgp s VAL 106 Ca 0.03 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1wgp s VAL 106 Cb -0.21 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1wgp s VAL 106 CO -0.04 -0.12 0.05 -0.75 0.00 0.00 0.00 175.10 174.24 1wgp s LYS 107 N -3.12 0.76 -0.29 2.72 2.20 -0.53 -3.57 119.74 117.91 1wgp s LYS 107 Ca 0.31 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.63 1wgp s LYS 107 Cb -0.10 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1wgp s LYS 107 CO 0.23 -0.19 0.06 0.00 -0.36 0.00 0.00 175.35 175.09 1wgp s ALA 108 N -3.95 3.01 -0.10 3.13 0.00 -0.76 -1.88 121.76 121.23 1wgp s ALA 108 Ca 0.12 -1.46 0.20 0.00 0.00 0.00 0.00 51.96 50.82 1wgp s ALA 108 Cb 0.07 -2.08 -0.30 0.00 0.00 0.00 0.00 23.12 20.80 1wgp s ALA 108 CO -0.07 -0.91 0.32 1.28 0.00 0.00 0.00 175.76 176.39 1wgp n LEU 109 N 4.84 0.00 -4.23 0.00 4.32 -1.26 -2.72 117.00 117.95 1wgp n LEU 109 Ca -0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.72 1wgp n LEU 109 Cb 0.48 0.19 -0.10 0.00 -1.62 0.00 0.00 43.42 42.37 1wgp n LEU 109 CO 0.31 0.19 -0.30 0.28 -1.22 0.00 0.00 177.39 176.65 1wgp s THR 110 N -3.12 0.47 -0.23 -5.08 -1.32 -1.26 -4.86 115.64 100.24 1wgp s THR 110 Ca -0.09 -1.97 -0.34 0.00 -1.21 0.00 0.00 61.69 58.09 1wgp s THR 110 Cb 0.11 -2.21 -0.10 0.00 -1.51 0.00 0.00 72.50 68.79 1wgp s THR 110 CO 0.88 -0.37 2.07 1.21 -2.21 0.00 0.00 174.62 176.20 1wgp n GLU 111 N -0.24 1.66 -4.26 7.08 2.13 -1.26 -4.79 120.64 120.95 1wgp n GLU 111 Ca -0.05 0.53 -0.33 0.00 0.66 0.00 0.00 57.16 57.97 1wgp n GLU 111 Cb 0.64 -2.67 -0.09 0.00 0.27 0.00 0.00 31.44 29.59 1wgp n GLU 111 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1wgp s VAL 112 N 6.20 4.30 -0.29 6.31 1.01 -1.15 -4.62 120.40 132.15 1wgp s VAL 112 Ca 1.01 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1wgp s VAL 112 Cb -0.70 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 32.83 1wgp s VAL 112 CO 0.48 0.40 -0.04 -1.61 0.00 0.00 0.00 175.10 174.33 1wgp s GLU 113 N -1.50 2.21 0.32 2.72 2.02 -0.80 -3.55 118.70 120.13 1wgp s GLU 113 Ca 0.19 -1.40 -0.19 0.00 0.02 0.00 0.00 54.97 53.59 1wgp s GLU 113 Cb -0.12 -3.06 0.04 0.00 0.10 0.00 0.00 34.13 31.10 1wgp s GLU 113 CO 0.10 -0.65 0.78 0.00 0.02 0.00 0.00 175.26 175.51 1wgp s ALA 114 N 1.13 -1.02 0.33 5.21 0.00 -1.26 -2.11 121.76 124.04 1wgp s ALA 114 Ca -0.05 -0.52 0.09 0.00 0.00 0.00 0.00 51.96 51.49 1wgp s ALA 114 Cb -0.20 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1wgp s ALA 114 CO -0.04 -1.01 -0.01 -0.06 0.00 0.00 0.00 175.76 174.64 1wgp s PHE 115 N -2.99 2.55 0.34 0.00 0.40 -1.22 -4.52 117.98 112.54 1wgp s PHE 115 Ca 0.14 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1wgp s PHE 115 Cb -0.05 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1wgp s PHE 115 CO 0.09 0.51 0.32 0.00 0.70 0.00 0.00 175.22 176.84 1wgp s ALA 116 N -2.49 3.89 -0.20 5.36 0.00 -1.23 -1.93 121.76 125.16 1wgp s ALA 116 Ca 0.34 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 1wgp s ALA 116 Cb -0.01 -1.24 0.09 0.00 0.00 0.00 0.00 23.12 21.96 1wgp s ALA 116 CO 0.19 0.00 0.41 -1.17 0.00 0.00 0.00 175.76 175.19 1wgp s LEU 117 N -4.02 -0.63 0.28 0.00 1.98 0.16 -3.18 118.68 113.28 1wgp s LEU 117 Ca 0.41 0.93 -0.25 0.00 -2.89 0.00 0.00 54.13 52.33 1wgp s LEU 117 Cb -0.06 1.31 -0.09 0.00 0.66 0.00 0.00 46.19 48.00 1wgp s LEU 117 CO 0.27 -0.24 0.88 -0.51 -1.89 0.00 0.00 176.35 174.87 1wgp s ILE 118 N 2.60 4.29 0.03 6.68 2.07 -1.26 0.20 121.20 135.81 1wgp s ILE 118 Ca -0.01 1.71 -0.24 0.00 -1.41 0.00 0.00 60.65 60.71 1wgp s ILE 118 Cb -0.12 -4.01 -0.17 0.00 0.13 0.00 0.00 42.46 38.30 1wgp s ILE 118 CO -0.13 0.21 1.48 0.00 -1.91 0.00 0.00 174.94 174.59 1wgp h ALA 119 N 3.37 0.05 -0.42 1.50 0.00 -1.87 -2.33 119.26 119.56 1wgp h ALA 119 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1wgp h ALA 119 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wgp h ALA 119 CO 0.65 -0.30 0.00 -3.47 0.00 0.00 0.00 179.25 176.14 1wgp n ASP 120 N -4.91 0.00 -0.37 0.00 -0.08 -1.26 0.15 116.55 110.08 1wgp n ASP 120 Ca -0.07 0.93 0.35 0.00 -1.51 0.00 0.00 54.79 54.49 1wgp n ASP 120 Cb 0.17 -0.43 0.71 0.00 2.34 0.00 0.00 41.12 43.91 1wgp n ASP 120 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1wgp h GLU 121 N 0.00 0.07 0.03 -0.67 4.39 -1.98 0.30 114.58 116.71 1wgp h GLU 121 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wgp h GLU 121 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1wgp h GLU 121 CO 0.00 0.05 -0.01 1.25 -1.16 0.00 0.00 179.01 179.13 1wgp h LEU 122 N 0.07 -0.04 -0.84 1.33 6.46 0.11 -1.98 115.31 120.43 1wgp h LEU 122 Ca 0.62 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.58 1wgp h LEU 122 Cb 2.30 0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 42.09 1wgp h LEU 122 CO -0.08 -0.01 -0.01 0.50 -0.62 0.00 0.00 178.44 178.21 1wgp h LYS 123 N -0.07 0.07 0.00 1.25 3.64 0.23 0.94 116.57 122.63 1wgp h LYS 123 Ca -0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1wgp h LYS 123 Cb 0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1wgp h LYS 123 CO 0.01 0.05 -0.31 0.35 -2.27 0.00 0.00 179.45 177.27 1wgp h PHE 124 N 0.07 -0.92 0.00 1.91 3.04 -0.51 0.97 116.94 121.50 1wgp h PHE 124 Ca 0.47 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.44 1wgp h PHE 124 Cb 0.85 0.40 -0.00 0.00 2.56 0.00 0.00 35.95 39.76 1wgp h PHE 124 CO -0.47 -0.34 -0.01 -0.24 -2.02 0.00 0.00 178.31 175.23 1wgp h VAL 125 N -0.40 0.78 0.61 1.41 3.04 -0.35 1.14 116.25 122.48 1wgp h VAL 125 Ca 0.01 -0.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.65 1wgp h VAL 125 Cb 0.42 1.01 0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1wgp h VAL 125 CO -0.21 0.01 -0.29 0.00 -1.01 0.00 0.00 177.57 176.06 1wgp h ALA 126 N 1.99 -0.82 -0.06 3.17 0.00 0.30 -2.65 119.26 121.19 1wgp h ALA 126 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1wgp h ALA 126 Cb 0.01 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wgp h ALA 126 CO 0.00 -0.83 -0.04 1.03 0.00 0.00 0.00 179.25 179.41 1wgp h SER 127 N -1.08 0.14 -0.93 0.00 0.87 0.14 -0.45 113.55 112.23 1wgp h SER 127 Ca -0.08 -0.44 0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1wgp h SER 127 Cb 0.68 -0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 62.42 1wgp h SER 127 CO 0.14 0.55 0.04 0.00 -0.53 0.00 0.00 176.83 177.03 1wgp n GLN 128 N -4.77 -0.07 0.09 2.24 1.13 0.39 0.42 117.38 116.81 1wgp n GLN 128 Ca -0.07 1.40 -0.22 0.00 -1.94 0.00 0.00 57.00 56.16 1wgp n GLN 128 Cb 0.27 -2.23 -0.15 0.00 0.11 0.00 0.00 30.24 28.23 1wgp n GLN 128 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1wgp h PHE 129 N 0.00 0.75 -3.99 1.08 3.57 -1.41 -3.46 116.94 113.48 1wgp h PHE 129 Ca 0.58 -0.55 -0.54 0.00 3.53 0.00 0.00 57.97 60.99 1wgp h PHE 129 Cb 1.21 -0.03 0.19 0.00 2.79 0.00 0.00 35.95 40.11 1wgp h PHE 129 CO -0.46 1.45 0.12 -2.13 -2.23 0.00 0.00 178.31 175.07 1wgp n ARG 130 N -3.92 0.05 0.01 1.11 3.00 0.17 -4.97 116.66 112.11 1wgp n ARG 130 Ca -0.16 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1wgp n ARG 130 Cb 0.96 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 31.13 1wgp n ARG 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wgp n ARG 131 N -2.92 0.00 -3.18 -0.14 1.74 -1.26 -4.87 116.66 106.03 1wgp n ARG 131 Ca 0.12 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.24 1wgp n ARG 131 Cb 0.51 -0.48 -0.04 0.00 -1.02 0.00 0.00 32.46 31.43 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 -5.25 -0.10 -0.29 0.55 1.04 -1.26 -5.17 113.70 103.23 1wgp s SER 132 Ca 0.00 0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 1wgp s SER 132 Cb 0.00 1.11 0.12 0.00 0.10 0.00 0.00 66.02 67.34 1wgp s SER 132 CO 0.00 -0.02 0.82 -0.83 0.98 0.00 0.00 173.24 174.19 1wgp s GLY 133 N 2.27 -0.36 1.12 7.32 0.00 -1.26 -5.17 107.32 111.23 1wgp s GLY 133 Ca -0.02 2.75 -0.19 0.00 0.00 0.00 0.00 44.72 47.27 1wgp s GLY 133 CO -0.14 2.60 1.24 2.56 0.00 0.00 0.00 173.10 179.36 1wgp s PRO 134 N 1.69 -0.60 -0.09 2.90 0.04 -1.26 -4.97 135.00 132.71 1wgp s PRO 134 Ca -0.09 -0.37 -0.16 0.00 0.04 0.00 0.00 61.00 60.42 1wgp s PRO 134 Cb -0.05 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.83 1wgp s PRO 134 CO -0.18 -3.25 0.39 0.45 0.04 0.00 0.00 177.00 174.45 1wgp s SER 135 N -4.50 -0.35 0.35 6.66 0.15 -1.26 -5.05 113.70 109.69 1wgp s SER 135 Ca 0.75 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1wgp s SER 135 Cb -0.05 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wgp s SER 135 CO 0.55 -0.30 0.00 -0.24 1.20 0.00 0.00 173.24 174.45 1wgp n SER 136 N 2.10 -2.37 0.00 5.45 2.88 -1.26 -5.12 113.62 115.29 1wgp n SER 136 Ca -0.17 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1wgp n SER 136 Cb 0.57 2.32 0.00 0.00 -0.75 0.00 0.00 64.21 66.35 1wgp n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42