#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 1.94 -2.19 1.61 2.88 -1.26 -4.41 113.62 112.18 1wgp n SER 2 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1wgp n SER 2 Cb 0.00 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 1wgp n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgp n SER 3 N 0.55 -9.39 -4.77 -3.46 2.88 -1.26 -4.99 113.62 93.19 1wgp n SER 3 Ca 0.08 1.55 -0.28 0.00 -1.33 0.00 0.00 58.87 58.88 1wgp n SER 3 Cb 0.38 -5.27 0.10 0.00 -0.75 0.00 0.00 64.21 58.67 1wgp n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgp s GLY 4 N -0.56 1.65 -0.46 0.46 0.00 -1.26 -4.90 107.32 102.25 1wgp s GLY 4 Ca 0.00 -0.85 -0.46 0.00 0.00 0.00 0.00 44.72 43.41 1wgp s GLY 4 CO 0.00 -0.33 1.57 -1.14 0.00 0.00 0.00 173.10 173.20 1wgp n SER 5 N -3.28 1.15 -4.52 1.64 3.41 -1.26 -4.62 113.62 106.14 1wgp n SER 5 Ca 0.09 1.19 -0.40 0.00 -0.26 0.00 0.00 58.87 59.49 1wgp n SER 5 Cb 0.61 -0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 1wgp n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgp n SER 6 N 3.85 1.62 -2.71 4.04 2.88 -1.26 -4.70 113.62 117.34 1wgp n SER 6 Ca 0.30 -0.12 -0.07 0.00 -1.33 0.00 0.00 58.87 57.66 1wgp n SER 6 Cb -0.05 -1.31 0.08 0.00 -0.75 0.00 0.00 64.21 62.18 1wgp n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 7 N 6.26 -0.38 1.42 0.46 0.00 -1.26 -5.00 105.19 106.69 1wgp n GLY 7 Ca 0.47 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1wgp n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wgp n VAL 8 N 1.03 0.14 -1.55 1.61 3.14 -1.26 -4.96 118.33 116.47 1wgp n VAL 8 Ca 0.04 0.05 -0.15 0.00 -2.96 0.00 0.00 64.34 61.32 1wgp n VAL 8 Cb 0.69 -1.10 -0.10 0.00 -1.06 0.00 0.00 33.84 32.27 1wgp n VAL 8 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1wgp n ARG 9 N -2.93 0.47 0.00 1.45 0.63 -1.26 -2.26 116.66 112.76 1wgp n ARG 9 Ca 0.00 -0.72 0.00 0.00 -0.92 0.00 0.00 57.85 56.21 1wgp n ARG 9 Cb 0.24 -3.26 0.00 0.00 0.45 0.00 0.00 32.46 29.89 1wgp n ARG 9 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wgp n ARG 10 N 8.26 0.00 -1.32 -0.14 5.12 -1.26 -5.15 116.66 122.18 1wgp n ARG 10 Ca 0.50 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 56.11 1wgp n ARG 10 Cb 0.38 0.00 0.09 0.00 -1.16 0.00 0.00 32.46 31.77 1wgp n ARG 10 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1wgp s VAL 11 N 0.00 3.16 0.20 1.55 -7.23 -0.96 -4.95 120.40 112.17 1wgp s VAL 11 Ca 0.00 0.42 0.05 0.00 -1.81 0.00 0.00 61.98 60.64 1wgp s VAL 11 Cb 0.00 -2.87 -0.11 0.00 0.56 0.00 0.00 36.38 33.96 1wgp s VAL 11 CO 0.00 -0.46 1.45 1.55 -0.31 0.00 0.00 175.10 177.33 1wgp h PRO 12 N -0.93 0.13 -0.27 4.82 0.13 -2.01 -3.32 132.00 130.55 1wgp h PRO 12 Ca -0.44 -0.13 0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1wgp h PRO 12 Cb 1.24 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1wgp h PRO 12 CO 0.51 0.85 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.75 1wgp h LEU 13 N 0.08 -1.03 -5.05 1.56 3.38 -1.97 -1.56 115.31 110.72 1wgp h LEU 13 Ca -0.02 0.14 -0.66 0.00 0.09 0.00 0.00 57.88 57.42 1wgp h LEU 13 Cb 1.38 0.43 0.03 0.00 0.09 0.00 0.00 40.66 42.58 1wgp h LEU 13 CO 0.11 -0.20 3.81 0.49 0.09 0.00 0.00 178.44 182.74 1wgp n PHE 14 N -4.15 2.43 -0.10 1.13 3.72 -1.25 -4.36 117.46 114.88 1wgp n PHE 14 Ca -0.01 -3.06 -0.17 0.00 -0.05 0.00 0.00 57.45 54.15 1wgp n PHE 14 Cb 0.18 -2.48 -0.08 0.00 -0.94 0.00 0.00 39.48 36.16 1wgp n PHE 14 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wgp n GLU 15 N 3.69 0.53 0.01 -1.08 1.02 -0.59 -4.50 120.64 119.73 1wgp n GLU 15 Ca 0.77 0.48 -0.07 0.00 -0.02 0.00 0.00 57.16 58.31 1wgp n GLU 15 Cb 0.23 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 1wgp n GLU 15 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1wgp h ASN 16 N -1.00 0.00 -2.91 1.62 7.08 -1.83 -3.47 115.58 115.08 1wgp h ASN 16 Ca -0.28 0.00 -0.59 0.00 -3.08 0.00 0.00 56.30 52.36 1wgp h ASN 16 Cb 1.10 0.00 0.13 0.00 -2.08 0.00 0.00 38.32 37.47 1wgp h ASN 16 CO -0.17 0.98 0.07 0.80 -2.08 0.00 0.00 177.43 177.03 1wgp n MET 17 N -3.15 1.21 -4.10 4.14 1.56 -1.26 -4.90 117.12 110.61 1wgp n MET 17 Ca -0.10 0.43 -0.26 0.00 -0.27 0.00 0.00 57.70 57.50 1wgp n MET 17 Cb 1.00 -1.94 -0.06 0.00 2.15 0.00 0.00 33.22 34.37 1wgp n MET 17 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1wgp s ASP 18 N -0.78 5.39 0.13 6.12 -1.08 -1.26 -4.96 116.67 120.24 1wgp s ASP 18 Ca 0.63 -0.18 -0.30 0.00 -0.52 0.00 0.00 52.55 52.18 1wgp s ASP 18 Cb -0.57 -1.37 -0.09 0.00 -1.46 0.00 0.00 42.92 39.43 1wgp s ASP 18 CO 0.57 0.07 1.51 -0.33 0.52 0.00 0.00 175.17 177.51 1wgp h GLU 19 N 2.44 -0.25 -1.21 4.34 5.08 -1.98 0.97 114.58 123.97 1wgp h GLU 19 Ca -0.48 0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.25 1wgp h GLU 19 Cb 1.20 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1wgp h GLU 19 CO 0.62 -0.16 0.82 0.00 -1.00 0.00 0.00 179.01 179.29 1wgp h ARG 20 N -0.26 0.17 -0.00 2.33 2.47 -1.99 1.82 114.38 118.91 1wgp h ARG 20 Ca 0.09 -0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.60 1wgp h ARG 20 Cb 0.50 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1wgp h ARG 20 CO -0.66 0.11 -0.88 1.25 0.56 0.00 0.00 179.97 180.35 1wgp h LEU 21 N 0.17 0.34 0.34 3.04 5.85 0.34 -2.38 115.31 123.02 1wgp h LEU 21 Ca 0.66 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 1wgp h LEU 21 Cb 2.14 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1wgp h LEU 21 CO -0.22 1.06 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.71 1wgp h LEU 22 N 0.15 -0.39 -0.05 2.25 -0.00 0.69 0.10 115.31 118.06 1wgp h LEU 22 Ca -0.05 -0.11 0.04 0.00 -0.00 0.00 0.00 57.88 57.76 1wgp h LEU 22 Cb 1.50 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 42.22 1wgp h LEU 22 CO 0.14 -0.11 -0.22 -0.78 -0.00 0.00 0.00 178.44 177.47 1wgp h ASP 23 N -0.67 -0.66 -0.30 -0.43 1.82 -0.95 0.85 116.42 116.08 1wgp h ASP 23 Ca -0.05 0.10 0.07 0.00 -0.39 0.00 0.00 57.03 56.76 1wgp h ASP 23 Cb 0.48 0.28 -0.07 0.00 0.68 0.00 0.00 39.33 40.69 1wgp h ASP 23 CO 0.08 -0.28 -0.21 0.00 -1.61 0.00 0.00 179.24 177.22 1wgp h ALA 24 N 0.59 -0.02 -0.49 -0.78 0.00 -1.38 1.61 119.26 118.79 1wgp h ALA 24 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1wgp h ALA 24 Cb 0.43 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1wgp h ALA 24 CO -0.23 -0.61 0.32 0.82 0.00 0.00 0.00 179.25 179.55 1wgp h ILE 25 N -0.18 1.12 0.04 0.00 2.04 -0.02 -1.96 117.51 118.55 1wgp h ILE 25 Ca 0.16 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wgp h ILE 25 Cb 0.43 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1wgp h ILE 25 CO -0.41 0.12 -0.02 0.00 0.00 0.00 0.00 178.15 177.84 1wgp h GLU 27 N -0.48 0.00 0.14 0.00 4.39 0.29 0.98 114.58 119.89 1wgp h GLU 27 Ca -0.01 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 1wgp h GLU 27 Cb 0.44 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1wgp h GLU 27 CO 0.01 0.00 -1.25 0.00 -1.16 0.00 0.00 179.01 176.61 1wgp h ARG 28 N 0.00 0.34 -5.94 2.33 -0.00 -0.97 -3.46 114.38 106.69 1wgp h ARG 28 Ca 0.09 -0.55 -0.81 0.00 -0.50 0.00 0.00 59.98 58.21 1wgp h ARG 28 Cb 1.13 0.20 0.04 0.00 0.00 0.00 0.00 29.97 31.34 1wgp h ARG 28 CO -0.00 1.25 0.23 1.28 0.00 0.00 0.00 179.97 182.73 1wgp n LEU 29 N -3.60 0.32 -4.66 3.04 4.77 0.34 -4.91 117.00 112.30 1wgp n LEU 29 Ca -0.10 1.16 -0.28 0.00 -0.03 0.00 0.00 56.01 56.76 1wgp n LEU 29 Cb 1.02 -0.90 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1wgp n LEU 29 CO 0.55 -1.61 -0.34 -0.54 -1.33 0.00 0.00 177.39 174.12 1wgp s LYS 30 N 0.80 2.42 -0.47 3.23 1.02 -1.18 -4.93 119.74 120.63 1wgp s LYS 30 Ca 0.94 -0.99 -0.28 0.00 0.02 0.00 0.00 55.97 55.65 1wgp s LYS 30 Cb -1.32 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1wgp s LYS 30 CO 0.63 0.49 1.44 -1.25 -0.92 0.00 0.00 175.35 175.74 1wgp s PRO 31 N -2.60 3.44 0.12 -1.68 0.04 -1.26 -3.20 135.00 129.86 1wgp s PRO 31 Ca 0.26 0.78 -0.10 0.00 0.04 0.00 0.00 61.00 61.97 1wgp s PRO 31 Cb -0.10 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1wgp s PRO 31 CO 0.18 -1.74 0.26 0.00 0.04 0.00 0.00 177.00 175.73 1wgp s LEU 33 N -2.88 1.86 -0.31 0.00 2.96 -1.26 -4.31 118.68 114.74 1wgp s LEU 33 Ca 0.08 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1wgp s LEU 33 Cb 0.04 0.49 0.01 0.00 0.50 0.00 0.00 46.19 47.23 1wgp s LEU 33 CO -0.08 -0.42 0.11 -0.36 -1.32 0.00 0.00 176.35 174.27 1wgp s PHE 34 N -2.05 3.17 0.09 5.38 0.08 -1.24 -5.06 117.98 118.34 1wgp s PHE 34 Ca -0.10 -0.88 -0.00 0.00 0.12 0.00 0.00 56.93 56.07 1wgp s PHE 34 Cb -0.05 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1wgp s PHE 34 CO -0.02 -0.55 0.12 0.25 -0.10 0.00 0.00 175.22 174.91 1wgp n THR 35 N 4.90 0.00 -2.04 0.64 -2.24 -1.26 -3.28 114.28 111.00 1wgp n THR 35 Ca -0.14 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 1wgp n THR 35 Cb 0.48 -1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 67.22 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 -2.83 4.30 -0.81 -0.78 1.03 -1.26 -2.65 118.70 115.70 1wgp s GLU 36 Ca 0.07 2.30 -0.05 0.00 0.03 0.00 0.00 54.97 57.32 1wgp s GLU 36 Cb -0.00 -3.05 0.01 0.00 -0.80 0.00 0.00 34.13 30.28 1wgp s GLU 36 CO 0.05 -0.28 0.63 1.63 -1.33 0.00 0.00 175.26 175.96 1wgp n LYS 37 N 0.91 -4.34 -3.85 -4.83 5.02 -1.23 -5.00 118.16 104.84 1wgp n LYS 37 Ca 0.01 0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 56.43 1wgp n LYS 37 Cb 0.41 -4.49 -0.13 0.00 -0.02 0.00 0.00 35.03 30.80 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 -3.13 4.67 -0.33 4.39 0.01 -1.09 -5.00 113.70 113.23 1wgp s SER 38 Ca 0.31 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.93 1wgp s SER 38 Cb -0.14 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1wgp s SER 38 CO 0.39 -0.07 0.45 -0.31 0.41 0.00 0.00 173.24 174.10 1wgp s TYR 39 N 1.50 3.20 -0.07 2.43 2.02 -1.26 -2.48 117.35 122.69 1wgp s TYR 39 Ca 0.05 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.78 1wgp s TYR 39 Cb -0.15 -2.79 -0.11 0.00 -0.40 0.00 0.00 41.96 38.51 1wgp s TYR 39 CO -0.01 -0.45 0.56 -0.07 -1.57 0.00 0.00 175.55 174.02 1wgp h LEU 40 N 8.90 -0.16 -8.42 -1.29 4.07 -1.95 -3.48 115.31 112.98 1wgp h LEU 40 Ca -0.29 -0.28 -0.22 0.00 0.08 0.00 0.00 57.88 57.17 1wgp h LEU 40 Cb 1.14 0.04 -0.15 0.00 1.08 0.00 0.00 40.66 42.77 1wgp h LEU 40 CO 0.73 0.42 -0.70 0.68 -1.08 0.00 0.00 178.44 178.49 1wgp s VAL 41 N -2.70 0.68 -0.04 1.22 -7.23 -1.26 -4.94 120.40 106.13 1wgp s VAL 41 Ca -0.09 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1wgp s VAL 41 Cb -0.00 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.35 1wgp s VAL 41 CO 0.33 -0.84 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.12 1wgp s ARG 42 N -3.69 0.62 0.04 4.82 0.52 -1.26 -3.61 118.95 116.39 1wgp s ARG 42 Ca 0.10 -0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 1wgp s ARG 42 Cb 0.04 -0.69 -0.08 0.00 0.52 0.00 0.00 34.95 34.74 1wgp s ARG 42 CO -0.04 -0.10 1.69 -2.00 0.02 0.00 0.00 175.30 174.87 1wgp s GLU 43 N 0.94 4.19 0.00 3.54 -6.30 -1.26 -1.95 118.70 117.86 1wgp s GLU 43 Ca -0.11 2.34 0.00 0.00 -2.50 0.00 0.00 54.97 54.71 1wgp s GLU 43 Cb -0.14 -3.73 0.00 0.00 0.00 0.00 0.00 34.13 30.26 1wgp s GLU 43 CO -0.01 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1wgp n GLY 44 N 4.09 2.81 3.80 -1.50 0.00 -1.23 -4.81 105.19 108.34 1wgp n GLY 44 Ca 0.17 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1wgp n GLY 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wgp s ASP 45 N 0.28 5.26 0.80 1.61 1.11 -0.82 -4.85 116.67 120.06 1wgp s ASP 45 Ca 0.00 1.72 -0.12 0.00 0.18 0.00 0.00 52.55 54.33 1wgp s ASP 45 Cb 0.00 -2.51 0.07 0.00 1.07 0.00 0.00 42.92 41.55 1wgp s ASP 45 CO 0.00 -1.52 1.10 -2.16 1.18 0.00 0.00 175.17 173.77 1wgp s PRO 46 N -4.78 2.04 -0.25 8.23 0.04 -1.26 -3.40 135.00 135.62 1wgp s PRO 46 Ca 0.60 0.62 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1wgp s PRO 46 Cb -0.15 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1wgp s PRO 46 CO 0.51 -1.65 -0.12 0.08 0.04 0.00 0.00 177.00 175.86 1wgp s VAL 47 N -3.16 2.24 -0.08 -0.36 1.01 -0.15 -4.80 120.40 115.09 1wgp s VAL 47 Ca 0.61 -1.45 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 1wgp s VAL 47 Cb -0.14 -2.23 -0.29 0.00 0.00 0.00 0.00 36.38 33.72 1wgp s VAL 47 CO 0.54 0.09 0.72 -1.13 0.00 0.00 0.00 175.10 175.32 1wgp h ASN 48 N 7.83 0.38 -5.00 3.32 -0.73 -1.95 -3.39 115.58 116.04 1wgp h ASN 48 Ca -0.25 -0.90 -0.15 0.00 1.87 0.00 0.00 56.30 56.87 1wgp h ASN 48 Cb 1.07 -0.12 -0.20 0.00 0.27 0.00 0.00 38.32 39.33 1wgp h ASN 48 CO 0.51 1.46 -0.55 -1.83 -0.37 0.00 0.00 177.43 176.64 1wgp s GLU 49 N -2.43 0.45 0.13 6.67 1.03 -1.26 -2.72 118.70 120.57 1wgp s GLU 49 Ca -0.17 -0.50 -0.04 0.00 0.03 0.00 0.00 54.97 54.29 1wgp s GLU 49 Cb 0.02 0.18 -0.05 0.00 -0.80 0.00 0.00 34.13 33.48 1wgp s GLU 49 CO 0.78 -0.10 0.35 1.41 -1.33 0.00 0.00 175.26 176.37 1wgp s MET 50 N -1.56 3.58 -0.16 -4.83 1.75 0.51 -4.83 119.30 113.77 1wgp s MET 50 Ca -0.14 -0.16 0.01 0.00 -1.25 0.00 0.00 55.69 54.15 1wgp s MET 50 Cb -0.07 -2.88 0.00 0.00 2.84 0.00 0.00 34.83 34.72 1wgp s MET 50 CO 0.00 0.49 -0.18 -0.51 -0.65 0.00 0.00 175.02 174.17 1wgp s LEU 51 N -2.66 2.32 -0.50 4.11 2.01 -1.26 -0.08 118.68 122.62 1wgp s LEU 51 Ca 0.40 -0.54 -0.14 0.00 0.01 0.00 0.00 54.13 53.86 1wgp s LEU 51 Cb -0.12 -1.52 0.11 0.00 0.01 0.00 0.00 46.19 44.67 1wgp s LEU 51 CO 0.25 0.07 0.42 -0.36 1.01 0.00 0.00 176.35 177.74 1wgp s PHE 52 N 0.91 3.29 -0.10 0.29 0.40 -1.11 -3.27 117.98 118.38 1wgp s PHE 52 Ca -0.04 -1.31 -0.32 0.00 -0.60 0.00 0.00 56.93 54.66 1wgp s PHE 52 Cb -0.15 -3.48 -0.10 0.00 0.51 0.00 0.00 43.02 39.80 1wgp s PHE 52 CO -0.03 -0.93 1.99 -0.89 0.70 0.00 0.00 175.22 176.06 1wgp n ILE 53 N 5.14 0.57 -0.11 0.64 2.08 -1.26 -3.68 119.36 122.74 1wgp n ILE 53 Ca -0.12 -0.18 -0.25 0.00 0.56 0.00 0.00 62.75 62.75 1wgp n ILE 53 Cb 0.41 -2.09 -0.11 0.00 -0.75 0.00 0.00 39.64 37.10 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 5.85 1.55 -3.63 1.39 2.08 -1.07 -4.53 119.36 121.01 1wgp n ILE 54 Ca 0.25 -0.29 -0.04 0.00 0.56 0.00 0.00 62.75 63.23 1wgp n ILE 54 Cb 0.35 -1.89 -0.06 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 -2.46 0.50 0.00 0.38 0.52 -0.79 -4.81 118.95 112.29 1wgp s ARG 55 Ca -0.33 0.91 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1wgp s ARG 55 Cb 0.10 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.74 1wgp s ARG 55 CO 0.56 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.18 1wgp n GLY 56 N 4.11 0.15 3.19 -3.53 0.00 -1.26 -2.03 105.19 105.82 1wgp n GLY 56 Ca -0.18 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 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 0.71 0.26 1.61 6.06 -1.26 -4.45 118.95 119.88 1wgp s ARG 57 Ca 0.00 -0.61 -0.13 0.00 -2.50 0.00 0.00 55.73 52.49 1wgp s ARG 57 Cb 0.00 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.31 1wgp s ARG 57 CO 0.00 -0.21 0.52 -0.51 -2.50 0.00 0.00 175.30 172.60 1wgp s LEU 58 N -2.08 0.29 -0.10 -0.88 1.02 -1.26 -4.45 118.68 111.22 1wgp s LEU 58 Ca -0.05 -0.95 0.03 0.00 0.02 0.00 0.00 54.13 53.18 1wgp s LEU 58 Cb -0.01 1.90 0.01 0.00 0.02 0.00 0.00 46.19 48.11 1wgp s LEU 58 CO -0.04 -1.20 -0.20 -1.83 0.02 0.00 0.00 176.35 173.11 1wgp s GLU 59 N -3.86 2.62 -0.14 1.70 -1.05 -0.87 -3.24 118.70 113.87 1wgp s GLU 59 Ca 0.21 -0.72 -0.07 0.00 -0.15 0.00 0.00 54.97 54.24 1wgp s GLU 59 Cb -0.01 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.56 1wgp s GLU 59 CO 0.10 0.06 0.11 0.45 0.95 0.00 0.00 175.26 176.93 1wgp s SER 60 N 0.63 6.14 0.06 0.83 0.15 -0.14 -1.28 113.70 120.09 1wgp s SER 60 Ca -0.13 0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.79 1wgp s SER 60 Cb -0.16 -1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.15 1wgp s SER 60 CO 0.04 0.34 0.14 -0.69 1.20 0.00 0.00 173.24 174.27 1wgp s VAL 61 N -0.60 0.14 0.07 4.45 1.01 0.35 -0.30 120.40 125.51 1wgp s VAL 61 Ca 0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 1wgp s VAL 61 Cb -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1wgp s VAL 61 CO 0.02 -0.63 0.05 0.28 0.00 0.00 0.00 175.10 174.82 1wgp s THR 62 N -3.18 0.19 0.00 3.92 -1.32 -1.24 0.43 115.64 114.44 1wgp s THR 62 Ca -0.00 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 1wgp s THR 62 Cb 0.02 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.50 1wgp s THR 62 CO -0.07 -0.84 0.00 1.07 -2.21 0.00 0.00 174.62 172.57 1wgp n THR 63 N 0.04 0.00 -3.86 5.08 5.66 -1.26 -3.68 114.28 116.26 1wgp n THR 63 Ca -0.14 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.55 1wgp n THR 63 Cb 0.62 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.35 1wgp n THR 63 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1wgp s ASP 64 N -0.71 6.39 0.00 1.09 2.15 -1.26 -4.54 116.67 119.79 1wgp s ASP 64 Ca 0.00 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1wgp s ASP 64 Cb 0.00 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1wgp s ASP 64 CO 0.00 0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 1wgp n GLY 65 N 0.36 0.54 2.21 2.66 0.00 -1.26 -4.81 105.19 104.88 1wgp n GLY 65 Ca -0.05 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 4.13 0.00 -0.02 0.00 -1.26 -4.81 105.19 103.23 1wgp n GLY 66 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.79 0.00 -4.32 1.61 0.63 -1.26 -5.16 116.66 108.95 1wgp n ARG 67 Ca 0.40 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 57.09 1wgp n ARG 67 Cb 0.59 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.33 1wgp n ARG 67 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wgp s SER 68 N 0.00 1.76 0.00 6.15 0.01 -1.26 -4.57 113.70 115.79 1wgp s SER 68 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1wgp s SER 68 Cb 0.00 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1wgp s SER 68 CO 0.00 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1wgp n GLY 69 N 4.18 -0.80 3.48 3.44 0.00 -1.26 -5.15 105.19 109.08 1wgp n GLY 69 Ca -0.20 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1wgp n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgp n PHE 70 N 1.34 -0.63 -2.86 1.61 3.72 -1.26 -4.88 117.46 114.50 1wgp n PHE 70 Ca 0.00 0.37 -0.42 0.00 -0.05 0.00 0.00 57.45 57.35 1wgp n PHE 70 Cb 0.00 -1.94 -0.04 0.00 -0.94 0.00 0.00 39.48 36.56 1wgp n PHE 70 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1wgp s TYR 71 N -1.86 3.13 -0.89 1.38 1.51 -1.26 -4.82 117.35 114.54 1wgp s TYR 71 Ca 0.67 0.79 -0.24 0.00 -1.01 0.00 0.00 57.07 57.27 1wgp s TYR 71 Cb -0.37 -3.48 0.05 0.00 -0.11 0.00 0.00 41.96 38.05 1wgp s TYR 71 CO 0.56 -0.72 1.35 -0.80 -1.11 0.00 0.00 175.55 174.82 1wgp s ASN 72 N 1.77 6.36 0.38 2.29 0.01 -1.24 -4.89 114.94 119.62 1wgp s ASN 72 Ca 0.36 -1.06 -0.24 0.00 -0.71 0.00 0.00 52.86 51.21 1wgp s ASN 72 Cb -0.13 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.89 1wgp s ASN 72 CO 0.16 -1.62 1.03 -0.60 -1.51 0.00 0.00 177.10 174.56 1wgp s ARG 73 N 5.13 4.25 0.28 -0.60 3.52 -1.26 -3.63 118.95 126.64 1wgp s ARG 73 Ca 0.40 1.47 -0.15 0.00 -0.13 0.00 0.00 55.73 57.32 1wgp s ARG 73 Cb -0.04 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1wgp s ARG 73 CO 0.01 -0.05 0.60 -1.12 -0.81 0.00 0.00 175.30 173.92 1wgp s SER 74 N -1.58 -0.08 0.13 -2.12 0.01 0.59 -4.99 113.70 105.65 1wgp s SER 74 Ca 0.56 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 57.00 1wgp s SER 74 Cb -0.21 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 1wgp s SER 74 CO 0.27 -1.28 -0.11 -0.22 0.41 0.00 0.00 173.24 172.30 1wgp s LEU 75 N -3.00 2.46 0.30 2.44 2.96 -1.26 -0.97 118.68 121.61 1wgp s LEU 75 Ca 0.18 -0.89 0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1wgp s LEU 75 Cb -0.03 -0.41 -0.06 0.00 0.50 0.00 0.00 46.19 46.19 1wgp s LEU 75 CO 0.09 -0.25 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.03 1wgp s LEU 76 N -2.74 2.59 0.00 -0.68 1.43 -1.20 -4.86 118.68 113.22 1wgp s LEU 76 Ca 0.11 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1wgp s LEU 76 Cb -0.01 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 1wgp s LEU 76 CO 0.01 -0.26 0.21 2.29 0.23 0.00 0.00 176.35 178.84 1wgp n LYS 77 N -0.66 0.46 -1.73 1.70 2.85 -1.26 -4.36 118.16 115.17 1wgp n LYS 77 Ca -0.05 -3.17 -0.42 0.00 -1.05 0.00 0.00 58.31 53.62 1wgp n LYS 77 Cb 0.63 2.25 -0.03 0.00 -0.65 0.00 0.00 35.03 37.23 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 -3.34 4.15 0.00 -1.58 2.02 -1.26 -2.35 118.70 116.34 1wgp s GLU 78 Ca 0.30 2.55 0.00 0.00 0.02 0.00 0.00 54.97 57.84 1wgp s GLU 78 Cb 0.01 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.22 1wgp s GLU 78 CO 0.21 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.99 1wgp n GLY 79 N 4.42 3.63 3.77 -1.39 0.00 -1.26 -5.10 105.19 109.26 1wgp n GLY 79 Ca 0.19 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 6.18 0.47 1.61 -1.08 -0.99 -4.98 116.67 117.88 1wgp s ASP 80 Ca 0.00 2.39 0.04 0.00 -0.52 0.00 0.00 52.55 54.46 1wgp s ASP 80 Cb 0.00 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 1wgp s ASP 80 CO 0.00 -0.92 0.07 0.72 0.52 0.00 0.00 175.17 175.56 1wgp s PHE 81 N -1.46 2.11 0.29 -5.34 -0.12 -1.26 -4.31 117.98 107.89 1wgp s PHE 81 Ca 0.62 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1wgp s PHE 81 Cb -0.31 -1.73 -0.06 0.00 -0.63 0.00 0.00 43.02 40.29 1wgp s PHE 81 CO 0.38 0.21 0.07 0.00 -0.05 0.00 0.00 175.22 175.84 1wgp n GLY 83 N -0.57 -0.45 0.36 0.00 0.00 -1.26 -4.23 105.19 99.04 1wgp n GLY 83 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.14 1.05 -1.14 1.61 3.04 -1.91 -0.76 116.42 118.17 1wgp h ASP 84 Ca -0.10 -0.02 0.33 0.00 -3.24 0.00 0.00 57.03 54.01 1wgp h ASP 84 Cb 1.00 -0.25 -0.05 0.00 -1.04 0.00 0.00 39.33 39.00 1wgp h ASP 84 CO 0.15 0.74 1.05 -0.33 -2.04 0.00 0.00 179.24 178.80 1wgp h GLU 85 N 1.23 0.00 -0.39 4.15 4.39 -1.88 1.57 114.58 123.66 1wgp h GLU 85 Ca 0.37 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.03 1wgp h GLU 85 Cb -0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1wgp h GLU 85 CO -0.11 0.00 0.08 1.25 -1.16 0.00 0.00 179.01 179.08 1wgp h LEU 86 N 0.00 0.60 -0.10 1.33 5.85 -1.48 0.83 115.31 122.34 1wgp h LEU 86 Ca 0.54 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1wgp h LEU 86 Cb 2.63 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 43.44 1wgp h LEU 86 CO -0.01 0.68 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.36 1wgp h LEU 87 N 0.48 -1.07 -0.33 2.25 4.07 0.22 -1.11 115.31 119.82 1wgp h LEU 87 Ca 0.12 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1wgp h LEU 87 Cb 0.33 0.44 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 1wgp h LEU 87 CO 0.00 -0.38 0.21 0.74 -1.08 0.00 0.00 178.44 177.93 1wgp h THR 88 N -0.44 1.08 -0.85 0.22 2.02 -1.44 -2.12 112.91 111.38 1wgp h THR 88 Ca 0.08 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.20 1wgp h THR 88 Cb 0.57 0.60 -0.12 0.00 -1.74 0.00 0.00 68.15 67.47 1wgp h THR 88 CO -0.34 0.08 -0.55 -0.25 0.37 0.00 0.00 175.52 174.82 1wgp h TRP 89 N 0.44 -1.74 0.03 3.16 7.01 0.07 1.54 115.95 126.47 1wgp h TRP 89 Ca 0.12 0.11 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1wgp h TRP 89 Cb -0.05 0.87 -0.05 0.00 -2.10 0.00 0.00 29.16 27.83 1wgp h TRP 89 CO -0.06 -0.40 -0.39 0.00 -2.79 0.00 0.00 178.44 174.81 1wgp h ALA 90 N 0.48 -0.62 -0.61 2.65 0.00 -0.96 0.37 119.26 120.58 1wgp h ALA 90 Ca 0.16 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.21 1wgp h ALA 90 Cb 0.48 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1wgp h ALA 90 CO -0.86 -0.92 0.54 -0.07 0.00 0.00 0.00 179.25 177.94 1wgp h LEU 91 N -0.56 0.00 -8.76 0.00 -0.00 0.07 -3.36 115.31 102.70 1wgp h LEU 91 Ca 0.05 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.31 1wgp h LEU 91 Cb 0.63 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.17 1wgp h LEU 91 CO -0.28 0.00 0.32 -1.81 -0.00 0.00 0.00 178.44 176.67 1wgp s ASP 92 N -5.43 6.50 0.16 -0.43 1.01 0.50 -4.91 116.67 114.06 1wgp s ASP 92 Ca -0.05 0.21 -0.00 0.00 0.71 0.00 0.00 52.55 53.42 1wgp s ASP 92 Cb 0.18 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.74 1wgp s ASP 92 CO 0.64 -0.74 1.39 1.55 0.21 0.00 0.00 175.17 178.22 1wgp h PRO 93 N 8.57 0.31 -0.82 8.23 0.13 -1.75 -3.18 132.00 143.49 1wgp h PRO 93 Ca -0.25 -0.30 0.12 0.00 -0.87 0.00 0.00 66.00 64.69 1wgp h PRO 93 Cb 1.10 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1wgp h PRO 93 CO 0.90 0.98 0.43 0.87 -0.23 0.00 0.00 178.00 180.96 1wgp h LYS 94 N 0.19 0.66 0.36 0.86 1.79 -1.91 -2.11 116.57 116.42 1wgp h LYS 94 Ca -0.05 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1wgp h LYS 94 Cb 1.44 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.91 1wgp h LYS 94 CO 0.14 0.44 -0.50 0.77 -1.08 0.00 0.00 179.45 179.21 1wgp h SER 95 N 0.68 -1.42 0.00 0.86 0.02 -1.82 -3.43 113.55 108.44 1wgp h SER 95 Ca 0.42 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1wgp h SER 95 Cb 0.50 0.49 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1wgp h SER 95 CO -0.31 -0.62 0.00 0.61 -1.14 0.00 0.00 176.83 175.38 1wgp n GLY 96 N -1.53 0.37 3.95 -3.77 0.00 -0.79 -4.50 105.19 98.91 1wgp n GLY 96 Ca -0.11 0.56 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 1wgp n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgp s SER 97 N -4.00 3.60 0.08 1.61 0.01 -1.26 -4.87 113.70 108.87 1wgp s SER 97 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1wgp s SER 97 Cb 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1wgp s SER 97 CO 0.00 -2.40 0.00 0.59 0.41 0.00 0.00 173.24 171.84 1wgp n ASN 98 N -3.46 -8.72 -4.75 2.44 3.02 -1.26 -4.94 115.26 97.59 1wgp n ASN 98 Ca 0.14 1.54 -0.32 0.00 -0.03 0.00 0.00 54.58 55.92 1wgp n ASN 98 Cb 0.60 -4.80 0.09 0.00 -0.61 0.00 0.00 39.78 35.06 1wgp n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wgp s LEU 99 N -0.52 3.16 1.02 3.41 1.43 -1.26 -5.02 118.68 120.89 1wgp s LEU 99 Ca 0.00 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 1wgp s LEU 99 Cb 0.00 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 41.88 1wgp s LEU 99 CO 0.00 -2.05 1.19 -2.16 0.23 0.00 0.00 176.35 173.56 1wgp s PRO 100 N -4.50 0.26 0.06 1.29 0.04 -1.26 -4.65 135.00 126.25 1wgp s PRO 100 Ca 0.65 -0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.74 1wgp s PRO 100 Cb -0.20 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1wgp s PRO 100 CO 0.50 -2.73 -0.25 -1.12 0.04 0.00 0.00 177.00 173.45 1wgp s SER 101 N -4.26 2.96 0.71 6.66 0.01 -1.26 -0.97 113.70 117.54 1wgp s SER 101 Ca 0.69 -0.60 -0.11 0.00 1.31 0.00 0.00 55.95 57.24 1wgp s SER 101 Cb -0.10 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1wgp s SER 101 CO 0.54 0.21 1.07 -0.55 0.41 0.00 0.00 173.24 174.92 1wgp s SER 102 N -1.37 5.14 -0.02 2.44 0.15 -1.21 -4.85 113.70 113.99 1wgp s SER 102 Ca 0.11 1.72 0.19 0.00 0.70 0.00 0.00 55.95 58.66 1wgp s SER 102 Cb -0.10 -2.51 -0.27 0.00 -1.71 0.00 0.00 66.02 61.43 1wgp s SER 102 CO 0.03 -1.61 0.50 1.07 1.20 0.00 0.00 173.24 174.42 1wgp n THR 103 N -3.10 0.00 -3.74 6.45 5.66 -1.26 -3.58 114.28 114.71 1wgp n THR 103 Ca 0.08 -0.35 -0.10 0.00 -3.05 0.00 0.00 64.05 60.64 1wgp n THR 103 Cb 0.53 0.29 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 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 -3.17 0.92 -0.45 1.09 3.03 -1.26 -4.92 118.95 114.20 1wgp s ARG 104 Ca -0.04 -0.74 -0.14 0.00 2.03 0.00 0.00 55.73 56.84 1wgp s ARG 104 Cb 0.12 0.39 0.06 0.00 -1.03 0.00 0.00 34.95 34.50 1wgp s ARG 104 CO 0.77 -0.32 0.34 0.99 -1.13 0.00 0.00 175.30 175.95 1wgp s THR 105 N -3.50 5.01 -0.00 4.99 2.01 0.17 -4.10 115.64 120.22 1wgp s THR 105 Ca 0.02 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1wgp s THR 105 Cb 0.02 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1wgp s THR 105 CO -0.09 -0.50 0.22 -0.69 -0.69 0.00 0.00 174.62 172.87 1wgp s VAL 106 N 1.60 5.38 0.09 3.82 1.01 -1.24 -0.50 120.40 130.56 1wgp s VAL 106 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1wgp s VAL 106 Cb -0.23 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1wgp s VAL 106 CO 0.06 0.35 -0.08 -0.75 0.00 0.00 0.00 175.10 174.68 1wgp s LYS 107 N -1.85 0.78 -0.32 2.72 2.20 -0.41 -3.46 119.74 119.40 1wgp s LYS 107 Ca 0.27 -1.17 -0.12 0.00 -0.36 0.00 0.00 55.97 54.59 1wgp s LYS 107 Cb -0.13 -0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 1wgp s LYS 107 CO 0.17 0.02 0.23 0.00 -0.36 0.00 0.00 175.35 175.41 1wgp s ALA 108 N -2.88 3.52 -0.13 3.13 0.00 -1.03 -2.04 121.76 122.32 1wgp s ALA 108 Ca 0.06 -1.28 0.18 0.00 0.00 0.00 0.00 51.96 50.93 1wgp s ALA 108 Cb 0.00 -2.61 -0.27 0.00 0.00 0.00 0.00 23.12 20.25 1wgp s ALA 108 CO -0.02 -0.82 0.20 1.28 0.00 0.00 0.00 175.76 176.39 1wgp n LEU 109 N 5.09 0.00 -4.18 0.00 4.32 -1.26 -3.48 117.00 117.49 1wgp n LEU 109 Ca -0.13 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.75 1wgp n LEU 109 Cb 0.50 0.31 -0.10 0.00 -1.62 0.00 0.00 43.42 42.51 1wgp n LEU 109 CO 0.35 0.31 -0.36 0.28 -1.22 0.00 0.00 177.39 176.75 1wgp s THR 110 N -2.80 0.60 -0.39 -5.08 -1.32 -1.26 -4.93 115.64 100.45 1wgp s THR 110 Ca -0.09 -1.94 -0.39 0.00 -1.21 0.00 0.00 61.69 58.07 1wgp s THR 110 Cb 0.08 -1.83 -0.14 0.00 -1.51 0.00 0.00 72.50 69.10 1wgp s THR 110 CO 0.81 -0.73 2.12 1.21 -2.21 0.00 0.00 174.62 175.82 1wgp n GLU 111 N -0.09 0.72 -4.05 7.08 2.13 -1.26 -4.78 120.64 120.39 1wgp n GLU 111 Ca -0.10 0.20 -0.36 0.00 0.66 0.00 0.00 57.16 57.57 1wgp n GLU 111 Cb 0.62 -2.10 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 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 6.46 5.08 -0.28 6.31 1.01 -1.21 -4.68 120.40 133.09 1wgp s VAL 112 Ca 1.12 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1wgp s VAL 112 Cb -1.10 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1wgp s VAL 112 CO 0.57 0.56 -0.06 -1.61 0.00 0.00 0.00 175.10 174.55 1wgp s GLU 113 N -1.14 2.02 0.34 2.72 0.41 -0.86 -3.62 118.70 118.57 1wgp s GLU 113 Ca 0.16 -1.49 -0.17 0.00 -0.41 0.00 0.00 54.97 53.06 1wgp s GLU 113 Cb -0.12 -2.97 0.04 0.00 -1.78 0.00 0.00 34.13 29.30 1wgp s GLU 113 CO 0.06 -0.67 0.75 0.00 -0.49 0.00 0.00 175.26 174.91 1wgp s ALA 114 N 1.05 -0.88 0.43 5.21 0.00 -1.26 -1.88 121.76 124.43 1wgp s ALA 114 Ca -0.03 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1wgp s ALA 114 Cb -0.20 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1wgp s ALA 114 CO -0.06 -1.00 0.20 -0.06 0.00 0.00 0.00 175.76 174.84 1wgp s PHE 115 N -2.97 2.45 0.26 0.00 0.40 -1.24 -4.24 117.98 112.64 1wgp s PHE 115 Ca 0.14 -0.64 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 1wgp s PHE 115 Cb -0.05 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 1wgp s PHE 115 CO 0.10 0.11 0.10 0.00 0.70 0.00 0.00 175.22 176.23 1wgp s ALA 116 N -2.64 3.38 -0.16 5.36 0.00 -1.19 -2.77 121.76 123.74 1wgp s ALA 116 Ca 0.38 -1.54 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 1wgp s ALA 116 Cb 0.03 -1.03 0.08 0.00 0.00 0.00 0.00 23.12 22.20 1wgp s ALA 116 CO 0.21 0.25 0.32 -1.17 0.00 0.00 0.00 175.76 175.38 1wgp s LEU 117 N -3.76 -0.44 0.29 0.00 1.98 0.88 -3.12 118.68 114.51 1wgp s LEU 117 Ca 0.32 0.73 -0.23 0.00 -2.89 0.00 0.00 54.13 52.07 1wgp s LEU 117 Cb -0.07 0.95 -0.09 0.00 0.66 0.00 0.00 46.19 47.64 1wgp s LEU 117 CO 0.22 -0.24 0.85 -0.51 -1.89 0.00 0.00 176.35 174.79 1wgp s ILE 118 N 2.50 4.37 0.03 6.68 2.07 -1.26 0.19 121.20 135.78 1wgp s ILE 118 Ca 0.00 1.57 -0.25 0.00 -1.41 0.00 0.00 60.65 60.56 1wgp s ILE 118 Cb -0.12 -3.91 -0.17 0.00 0.13 0.00 0.00 42.46 38.39 1wgp s ILE 118 CO -0.10 0.12 1.43 0.00 -1.91 0.00 0.00 174.94 174.48 1wgp h ALA 119 N 3.15 -0.25 -0.48 1.50 0.00 -1.86 -2.08 119.26 119.24 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 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wgp h ALA 119 CO 0.65 -0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1wgp n ASP 120 N -5.09 0.00 -0.35 0.00 8.00 -1.26 0.19 116.55 118.04 1wgp n ASP 120 Ca -0.09 0.90 0.25 0.00 0.71 0.00 0.00 54.79 56.57 1wgp n ASP 120 Cb 0.20 -0.41 0.52 0.00 -0.02 0.00 0.00 41.12 41.41 1wgp n ASP 120 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wgp h GLU 121 N 0.00 0.33 0.23 -1.24 4.39 -1.98 0.78 114.58 117.08 1wgp h GLU 121 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1wgp h GLU 121 Cb 0.00 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1wgp h GLU 121 CO 0.00 0.22 -0.11 1.25 -1.16 0.00 0.00 179.01 179.21 1wgp h LEU 122 N 0.34 -0.26 -0.91 1.33 6.46 0.14 -1.32 115.31 121.09 1wgp h LEU 122 Ca 0.66 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 58.65 1wgp h LEU 122 Cb 1.73 0.07 -0.12 0.00 -0.73 0.00 0.00 40.66 41.60 1wgp h LEU 122 CO -0.38 -0.15 0.44 0.50 -0.62 0.00 0.00 178.44 178.23 1wgp h LYS 123 N -0.37 0.45 0.11 1.25 3.64 0.31 0.38 116.57 122.34 1wgp h LYS 123 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1wgp h LYS 123 Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1wgp h LYS 123 CO 0.05 0.30 -0.25 0.35 -2.27 0.00 0.00 179.45 177.63 1wgp h PHE 124 N 0.47 -0.73 -0.13 1.91 3.57 0.59 1.43 116.94 124.05 1wgp h PHE 124 Ca 0.56 0.02 0.04 0.00 3.53 0.00 0.00 57.97 62.12 1wgp h PHE 124 Cb 1.03 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1wgp h PHE 124 CO -0.11 -0.30 0.11 -0.24 -2.23 0.00 0.00 178.31 175.54 1wgp h VAL 125 N -0.40 0.76 0.45 1.41 3.04 -0.36 0.49 116.25 121.64 1wgp h VAL 125 Ca -0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1wgp h VAL 125 Cb 0.38 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1wgp h VAL 125 CO -0.11 0.00 -0.21 0.00 -1.01 0.00 0.00 177.57 176.24 1wgp h ALA 126 N 1.91 -0.60 0.56 3.17 0.00 0.12 -2.55 119.26 121.86 1wgp h ALA 126 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1wgp h ALA 126 Cb 0.27 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wgp h ALA 126 CO -0.00 -0.63 -0.27 0.66 0.00 0.00 0.00 179.25 179.01 1wgp h SER 127 N -1.00 -0.63 -0.74 0.00 4.64 0.26 -2.92 113.55 113.15 1wgp h SER 127 Ca -0.06 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1wgp h SER 127 Cb 0.57 0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 62.73 1wgp h SER 127 CO 0.10 -0.40 -0.44 0.00 -0.87 0.00 0.00 176.83 175.23 1wgp n GLN 128 N -5.38 -0.33 -0.27 4.77 1.13 0.17 0.66 117.38 118.13 1wgp n GLN 128 Ca -0.12 1.27 0.04 0.00 -1.94 0.00 0.00 57.00 56.25 1wgp n GLN 128 Cb 0.32 -1.88 0.13 0.00 0.11 0.00 0.00 30.24 28.92 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 -0.27 -1.56 1.08 3.57 -1.42 -3.33 116.94 115.01 1wgp h PHE 129 Ca 0.12 0.07 -0.42 0.00 3.53 0.00 0.00 57.97 61.27 1wgp h PHE 129 Cb 0.30 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1wgp h PHE 129 CO -0.91 -0.31 1.29 0.50 -2.23 0.00 0.00 178.31 176.64 1wgp s ARG 130 N -6.19 2.31 0.24 1.11 3.00 0.21 -4.32 118.95 115.31 1wgp s ARG 130 Ca -0.14 0.83 0.00 0.00 -1.00 0.00 0.00 55.73 55.42 1wgp s ARG 130 Cb 0.23 -4.57 0.00 0.00 0.00 0.00 0.00 34.95 30.61 1wgp s ARG 130 CO 0.76 -3.18 0.00 0.54 0.00 0.00 0.00 175.30 173.42 1wgp n ARG 131 N 9.05 0.00 -3.51 5.12 5.12 -1.25 -4.93 116.66 126.26 1wgp n ARG 131 Ca 0.31 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.82 1wgp n ARG 131 Cb 0.52 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.77 1wgp n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wgp s SER 132 N -4.04 6.16 0.28 0.55 1.04 -1.26 -5.02 113.70 111.42 1wgp s SER 132 Ca 0.00 -2.96 0.00 0.00 0.48 0.00 0.00 55.95 53.47 1wgp s SER 132 Cb 0.00 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1wgp s SER 132 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1wgp n GLY 133 N 3.48 -1.57 3.78 7.32 0.00 -1.26 -4.84 105.19 112.10 1wgp n GLY 133 Ca 0.14 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.03 0.89 -1.17 1.61 0.04 -1.26 -4.88 135.00 128.21 1wgp s PRO 134 Ca 0.00 0.19 -0.14 0.00 0.04 0.00 0.00 61.00 61.09 1wgp s PRO 134 Cb 0.00 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.89 1wgp s PRO 134 CO 0.00 -2.35 1.39 -1.12 0.04 0.00 0.00 177.00 174.96 1wgp s SER 135 N -4.10 7.03 -0.34 6.66 0.01 -1.26 -4.56 113.70 117.15 1wgp s SER 135 Ca 0.65 -2.90 -0.12 0.00 1.31 0.00 0.00 55.95 54.89 1wgp s SER 135 Cb -0.13 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.72 1wgp s SER 135 CO 0.53 -0.77 0.46 -0.24 0.41 0.00 0.00 173.24 173.63 1wgp n SER 136 N 5.67 -6.77 0.00 2.44 2.88 -1.26 -5.04 113.62 111.54 1wgp n SER 136 Ca 0.35 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wgp n SER 136 Cb 0.43 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 1wgp n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42