#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgp s SER 2 N 0.00 -0.54 0.77 1.61 0.01 -1.26 -5.17 113.70 109.11 1wgp s SER 2 Ca 0.00 0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 1wgp s SER 2 Cb 0.00 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.84 1wgp s SER 2 CO 0.00 -0.83 1.12 -0.55 0.41 0.00 0.00 173.24 173.39 1wgp s SER 3 N -2.41 4.66 0.00 2.44 0.15 -1.26 -4.96 113.70 112.33 1wgp s SER 3 Ca -0.00 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1wgp s SER 3 Cb -0.01 -1.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1wgp s SER 3 CO -0.08 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.20 1wgp n GLY 4 N -3.16 -0.95 3.46 9.45 0.00 -1.26 -5.08 105.19 107.65 1wgp n GLY 4 Ca 0.08 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.35 1wgp n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgp n SER 5 N 0.00 -5.93 -3.53 1.61 2.88 -1.26 -5.00 113.62 102.38 1wgp n SER 5 Ca 0.00 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1wgp n SER 5 Cb 0.00 -2.70 -0.05 0.00 -0.75 0.00 0.00 64.21 60.70 1wgp n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgp s SER 6 N -2.40 -0.40 0.00 -3.46 0.15 -1.26 -5.16 113.70 101.16 1wgp s SER 6 Ca 0.17 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1wgp s SER 6 Cb -0.02 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1wgp s SER 6 CO 0.85 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.81 1wgp n GLY 7 N 4.03 0.90 2.70 9.45 0.00 -1.26 -5.10 105.19 115.91 1wgp n GLY 7 Ca -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 1wgp n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wgp n VAL 8 N 9.00 -8.66 -2.76 1.61 0.31 -1.26 -4.89 118.33 111.68 1wgp n VAL 8 Ca 0.00 0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 63.99 1wgp n VAL 8 Cb 0.00 -6.38 0.00 0.00 -0.91 0.00 0.00 33.84 26.55 1wgp n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wgp n ARG 9 N -1.22 3.36 -2.75 5.55 1.74 -1.26 -4.29 116.66 117.79 1wgp n ARG 9 Ca 0.03 -3.66 -0.19 0.00 -0.77 0.00 0.00 57.85 53.26 1wgp n ARG 9 Cb 0.46 -3.12 0.02 0.00 -1.02 0.00 0.00 32.46 28.80 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 5.91 -3.46 -2.16 5.56 3.00 -1.26 -4.92 116.66 119.33 1wgp n ARG 10 Ca 0.40 0.82 -0.42 0.00 -0.00 0.00 0.00 57.85 58.64 1wgp n ARG 10 Cb 0.42 -5.39 -0.03 0.00 0.00 0.00 0.00 32.46 27.46 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 -3.04 3.52 0.19 5.15 1.01 -1.26 -4.90 120.40 121.06 1wgp s VAL 11 Ca 0.19 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1wgp s VAL 11 Cb -0.08 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 1wgp s VAL 11 CO 0.23 0.02 1.43 1.55 0.00 0.00 0.00 175.10 178.33 1wgp h PRO 12 N 7.68 0.19 -0.51 2.72 0.13 -1.99 -3.32 132.00 136.90 1wgp h PRO 12 Ca -0.40 -0.19 0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1wgp h PRO 12 Cb 1.19 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1wgp h PRO 12 CO 0.90 0.89 -0.32 -0.07 -0.23 0.00 0.00 178.00 179.17 1wgp h LEU 13 N 0.12 -1.16 -4.79 1.56 3.38 -2.02 0.66 115.31 113.07 1wgp h LEU 13 Ca -0.03 0.17 -0.47 0.00 0.09 0.00 0.00 57.88 57.64 1wgp h LEU 13 Cb 1.40 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 1wgp h LEU 13 CO 0.12 -0.14 2.37 0.49 0.09 0.00 0.00 178.44 181.37 1wgp n PHE 14 N -4.21 1.49 -0.10 1.13 3.72 -1.25 -4.25 117.46 113.99 1wgp n PHE 14 Ca 0.01 -2.37 -0.23 0.00 -0.05 0.00 0.00 57.45 54.81 1wgp n PHE 14 Cb 0.15 -2.05 -0.11 0.00 -0.94 0.00 0.00 39.48 36.53 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 3.36 0.58 0.06 -1.08 -0.58 0.22 -4.42 120.64 118.78 1wgp n GLU 15 Ca 0.61 0.50 -0.12 0.00 -0.42 0.00 0.00 57.16 57.73 1wgp n GLU 15 Cb 0.40 -1.70 -0.13 0.00 -0.57 0.00 0.00 31.44 29.44 1wgp n GLU 15 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1wgp h ASN 16 N -0.93 0.20 -3.01 1.62 -1.07 -1.81 -3.46 115.58 107.11 1wgp h ASN 16 Ca -0.42 -0.25 -0.58 0.00 0.07 0.00 0.00 56.30 55.12 1wgp h ASN 16 Cb 1.41 -0.06 0.14 0.00 -2.07 0.00 0.00 38.32 37.74 1wgp h ASN 16 CO -0.23 1.20 -0.00 0.23 0.07 0.00 0.00 177.43 178.70 1wgp n MET 17 N -3.36 1.04 -4.09 4.14 2.81 -1.26 -4.99 117.12 111.41 1wgp n MET 17 Ca -0.09 0.38 -0.23 0.00 -1.81 0.00 0.00 57.70 55.94 1wgp n MET 17 Cb 1.00 -1.93 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 1wgp n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wgp s ASP 18 N -0.91 5.61 0.16 7.83 -1.08 -1.26 -4.95 116.67 122.06 1wgp s ASP 18 Ca 0.66 -0.17 -0.28 0.00 -0.52 0.00 0.00 52.55 52.24 1wgp s ASP 18 Cb -0.53 -1.47 -0.01 0.00 -1.46 0.00 0.00 42.92 39.45 1wgp s ASP 18 CO 0.55 0.00 1.56 -0.33 0.52 0.00 0.00 175.17 177.47 1wgp h GLU 19 N 1.81 -0.27 -1.12 4.34 4.39 -1.98 0.84 114.58 122.59 1wgp h GLU 19 Ca -0.48 0.02 0.31 0.00 0.34 0.00 0.00 59.36 59.55 1wgp h GLU 19 Cb 1.22 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.85 1wgp h GLU 19 CO 0.62 -0.18 0.75 0.00 -1.16 0.00 0.00 179.01 179.04 1wgp h ARG 20 N -0.28 0.22 0.00 2.33 -0.00 -1.99 1.64 114.38 116.31 1wgp h ARG 20 Ca 0.14 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.98 59.43 1wgp h ARG 20 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.47 1wgp h ARG 20 CO -0.66 0.15 -0.85 1.25 0.00 0.00 0.00 179.97 179.86 1wgp h LEU 21 N 0.23 0.09 0.54 3.04 5.85 0.11 -2.10 115.31 123.06 1wgp h LEU 21 Ca 0.61 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.23 1wgp h LEU 21 Cb 1.88 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.89 1wgp h LEU 21 CO -0.21 0.90 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.45 1wgp h LEU 22 N 0.03 -0.61 -0.18 2.25 -0.00 0.60 0.31 115.31 117.72 1wgp h LEU 22 Ca -0.02 -0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1wgp h LEU 22 Cb 1.49 0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 42.27 1wgp h LEU 22 CO 0.12 -0.27 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.44 1wgp h ASP 23 N -0.98 -0.24 -0.36 -0.43 1.82 -1.04 1.42 116.42 116.61 1wgp h ASP 23 Ca -0.07 0.06 0.08 0.00 -0.39 0.00 0.00 57.03 56.71 1wgp h ASP 23 Cb 0.63 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 40.70 1wgp h ASP 23 CO 0.12 -0.09 -0.21 0.00 -1.61 0.00 0.00 179.24 177.45 1wgp h ALA 24 N 1.13 0.03 -0.51 -0.78 0.00 -1.36 0.77 119.26 118.54 1wgp h ALA 24 Ca 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1wgp h ALA 24 Cb 0.18 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1wgp h ALA 24 CO -0.21 -0.59 0.12 0.82 0.00 0.00 0.00 179.25 179.38 1wgp h ILE 25 N -0.16 1.24 -0.25 0.00 2.04 -0.19 -2.75 117.51 117.44 1wgp h ILE 25 Ca 0.18 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.22 1wgp h ILE 25 Cb 0.43 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1wgp h ILE 25 CO -0.45 0.32 -0.15 0.00 0.00 0.00 0.00 178.15 177.87 1wgp h GLU 27 N -0.12 0.00 -0.20 0.00 5.08 0.75 0.32 114.58 120.40 1wgp h GLU 27 Ca 0.14 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 1wgp h GLU 27 Cb 0.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1wgp h GLU 27 CO -0.33 0.00 -0.71 -0.09 -1.00 0.00 0.00 179.01 176.88 1wgp h ARG 28 N 0.00 0.83 -6.03 2.33 1.12 0.23 -3.44 114.38 109.42 1wgp h ARG 28 Ca 0.18 -0.63 -0.78 0.00 -1.11 0.00 0.00 59.98 57.64 1wgp h ARG 28 Cb 1.01 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.07 1wgp h ARG 28 CO -0.00 1.24 1.07 1.28 -3.11 0.00 0.00 179.97 180.45 1wgp n LEU 29 N -3.96 1.46 -4.94 3.80 4.77 0.11 -4.86 117.00 113.38 1wgp n LEU 29 Ca -0.06 0.86 -0.26 0.00 -0.03 0.00 0.00 56.01 56.52 1wgp n LEU 29 Cb 0.71 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1wgp n LEU 29 CO 0.52 -0.71 -0.08 -0.54 -1.33 0.00 0.00 177.39 175.25 1wgp s LYS 30 N 4.68 3.45 -0.43 3.23 1.02 -1.23 -4.91 119.74 125.55 1wgp s LYS 30 Ca 1.10 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 56.24 1wgp s LYS 30 Cb -1.30 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 33.06 1wgp s LYS 30 CO 0.68 0.51 1.42 -1.25 -0.92 0.00 0.00 175.35 175.79 1wgp s PRO 31 N -3.22 3.52 0.16 -1.68 0.04 -1.26 -3.38 135.00 129.19 1wgp s PRO 31 Ca 0.35 0.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1wgp s PRO 31 Cb -0.11 -4.04 0.01 0.00 0.04 0.00 0.00 34.50 30.40 1wgp s PRO 31 CO 0.29 -1.63 0.38 0.00 0.04 0.00 0.00 177.00 176.07 1wgp s LEU 33 N -2.89 1.50 -0.25 0.00 2.96 -1.26 -4.44 118.68 114.30 1wgp s LEU 33 Ca 0.10 -1.08 0.03 0.00 -0.22 0.00 0.00 54.13 52.95 1wgp s LEU 33 Cb 0.02 0.61 0.06 0.00 0.50 0.00 0.00 46.19 47.37 1wgp s LEU 33 CO -0.04 -0.78 -0.11 -0.36 -1.32 0.00 0.00 176.35 173.73 1wgp s PHE 34 N -4.02 3.22 0.00 5.38 0.08 -1.26 -5.06 117.98 116.32 1wgp s PHE 34 Ca 0.21 -2.23 0.00 0.00 0.12 0.00 0.00 56.93 55.03 1wgp s PHE 34 Cb 0.06 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1wgp s PHE 34 CO 0.01 -0.87 0.00 0.25 -0.10 0.00 0.00 175.22 174.51 1wgp n THR 35 N 4.46 0.00 -2.24 0.64 -2.24 -1.26 -3.38 114.28 110.26 1wgp n THR 35 Ca -0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1wgp n THR 35 Cb 0.43 -1.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.00 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 -1.94 4.24 -0.39 -0.78 1.03 -1.26 -2.20 118.70 117.40 1wgp s GLU 36 Ca 0.00 1.99 0.00 0.00 0.03 0.00 0.00 54.97 56.99 1wgp s GLU 36 Cb 0.00 -2.90 0.00 0.00 -0.80 0.00 0.00 34.13 30.43 1wgp s GLU 36 CO 0.00 -0.21 0.00 1.63 -1.33 0.00 0.00 175.26 175.35 1wgp n LYS 37 N 0.50 -0.74 -3.10 -4.83 5.02 -1.16 -4.96 118.16 108.88 1wgp n LYS 37 Ca 0.02 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.35 1wgp n LYS 37 Cb 0.44 -4.19 -0.06 0.00 -0.02 0.00 0.00 35.03 31.20 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 -2.37 6.41 -0.21 4.39 0.01 -0.94 -4.92 113.70 116.07 1wgp s SER 38 Ca 0.00 0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.16 1wgp s SER 38 Cb 0.00 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1wgp s SER 38 CO 0.00 -0.65 0.39 -0.31 0.41 0.00 0.00 173.24 173.08 1wgp s TYR 39 N 2.78 3.36 -0.12 2.43 2.02 -1.26 -1.23 117.35 125.33 1wgp s TYR 39 Ca 0.25 0.58 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 1wgp s TYR 39 Cb -0.14 -2.52 -0.12 0.00 -0.40 0.00 0.00 41.96 38.78 1wgp s TYR 39 CO 0.16 -0.02 0.35 -0.07 -1.57 0.00 0.00 175.55 174.40 1wgp h LEU 40 N 7.69 0.00 -8.26 -1.29 4.07 -1.89 -3.48 115.31 112.16 1wgp h LEU 40 Ca -0.36 -0.46 -0.31 0.00 0.08 0.00 0.00 57.88 56.83 1wgp h LEU 40 Cb 1.16 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.69 1wgp h LEU 40 CO 0.71 0.73 -0.75 0.68 -1.08 0.00 0.00 178.44 178.73 1wgp s VAL 41 N -1.86 0.73 0.24 1.22 -7.23 -1.25 -4.96 120.40 107.29 1wgp s VAL 41 Ca -0.09 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1wgp s VAL 41 Cb -0.01 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1wgp s VAL 41 CO 0.32 -0.36 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.59 1wgp s ARG 42 N -1.75 1.39 -0.25 4.82 1.81 -1.26 -2.15 118.95 121.56 1wgp s ARG 42 Ca -0.06 -1.70 -0.12 0.00 -1.72 0.00 0.00 55.73 52.13 1wgp s ARG 42 Cb -0.09 -0.78 -0.05 0.00 -0.45 0.00 0.00 34.95 33.58 1wgp s ARG 42 CO 0.01 -0.05 0.21 -1.21 -0.68 0.00 0.00 175.30 173.58 1wgp s GLU 43 N -3.82 4.06 0.00 3.54 0.41 -1.26 -4.04 118.70 117.59 1wgp s GLU 43 Ca 0.28 -0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 1wgp s GLU 43 Cb 0.05 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 1wgp s GLU 43 CO 0.09 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.25 1wgp n GLY 44 N 4.43 2.66 3.87 -1.39 0.00 -1.26 -5.06 105.19 108.44 1wgp n GLY 44 Ca -0.13 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 0.05 6.61 0.93 1.61 -4.77 -1.26 -5.04 116.67 114.79 1wgp s ASP 45 Ca 0.00 1.08 -0.13 0.00 -3.30 0.00 0.00 52.55 50.20 1wgp s ASP 45 Cb 0.00 -2.29 0.15 0.00 -1.09 0.00 0.00 42.92 39.68 1wgp s ASP 45 CO 0.00 -0.25 1.14 -2.16 0.70 0.00 0.00 175.17 174.60 1wgp s PRO 46 N -3.35 1.02 -0.25 2.11 0.04 -1.26 -4.13 135.00 129.18 1wgp s PRO 46 Ca 0.50 0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.74 1wgp s PRO 46 Cb -0.10 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wgp s PRO 46 CO 0.25 -2.27 0.00 0.08 0.04 0.00 0.00 177.00 175.10 1wgp s VAL 47 N -3.30 3.60 -0.11 -0.36 1.01 -0.10 -4.89 120.40 116.26 1wgp s VAL 47 Ca 0.65 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1wgp s VAL 47 Cb -0.14 -2.73 -0.26 0.00 0.00 0.00 0.00 36.38 33.25 1wgp s VAL 47 CO 0.53 0.30 0.43 -1.13 0.00 0.00 0.00 175.10 175.23 1wgp h ASN 48 N 8.15 0.41 -5.08 3.32 -1.24 -1.95 -3.39 115.58 115.80 1wgp h ASN 48 Ca -0.37 -0.90 -0.15 0.00 0.71 0.00 0.00 56.30 55.59 1wgp h ASN 48 Cb 1.15 -0.13 -0.19 0.00 0.73 0.00 0.00 38.32 39.88 1wgp h ASN 48 CO 0.60 1.79 -0.66 -1.83 -1.29 0.00 0.00 177.43 176.04 1wgp s GLU 49 N -2.54 0.45 -0.08 6.67 1.03 -1.26 -2.91 118.70 120.06 1wgp s GLU 49 Ca -0.22 -0.81 -0.02 0.00 0.03 0.00 0.00 54.97 53.95 1wgp s GLU 49 Cb 0.06 0.16 -0.03 0.00 -0.80 0.00 0.00 34.13 33.52 1wgp s GLU 49 CO 0.77 -0.09 0.02 1.41 -1.33 0.00 0.00 175.26 176.04 1wgp s MET 50 N -2.40 3.03 -0.14 -4.83 1.75 0.52 -4.86 119.30 112.36 1wgp s MET 50 Ca -0.07 -0.39 -0.02 0.00 -1.25 0.00 0.00 55.69 53.96 1wgp s MET 50 Cb -0.03 -2.84 -0.02 0.00 2.84 0.00 0.00 34.83 34.78 1wgp s MET 50 CO -0.04 0.71 -0.07 -0.51 -0.65 0.00 0.00 175.02 174.46 1wgp s LEU 51 N -0.97 3.08 -0.46 4.11 2.01 -1.26 -0.24 118.68 124.94 1wgp s LEU 51 Ca 0.14 -0.19 -0.09 0.00 0.01 0.00 0.00 54.13 54.01 1wgp s LEU 51 Cb -0.11 -1.72 0.11 0.00 0.01 0.00 0.00 46.19 44.47 1wgp s LEU 51 CO 0.03 0.18 0.32 -0.36 1.01 0.00 0.00 176.35 177.54 1wgp s PHE 52 N 0.28 3.41 -0.10 0.29 0.40 -1.13 -3.52 117.98 117.61 1wgp s PHE 52 Ca -0.05 -1.79 -0.36 0.00 -0.60 0.00 0.00 56.93 54.13 1wgp s PHE 52 Cb -0.15 -3.37 -0.13 0.00 0.51 0.00 0.00 43.02 39.89 1wgp s PHE 52 CO 0.04 -0.96 1.81 -0.89 0.70 0.00 0.00 175.22 175.91 1wgp n ILE 53 N 4.91 0.45 -0.11 0.64 2.08 -1.26 -3.80 119.36 122.26 1wgp n ILE 53 Ca -0.08 -0.08 -0.22 0.00 0.56 0.00 0.00 62.75 62.92 1wgp n ILE 53 Cb 0.41 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.52 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 4.78 1.55 -3.15 1.39 2.08 -1.05 -4.38 119.36 120.58 1wgp n ILE 54 Ca 0.23 -0.48 0.05 0.00 0.56 0.00 0.00 62.75 63.11 1wgp n ILE 54 Cb 0.25 -1.66 -0.01 0.00 -0.75 0.00 0.00 39.64 37.48 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 -2.51 0.18 0.00 0.38 0.52 -0.90 -4.76 118.95 111.86 1wgp s ARG 55 Ca -0.34 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 1wgp s ARG 55 Cb 0.10 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1wgp s ARG 55 CO 0.59 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1wgp n GLY 56 N 5.29 -0.57 3.11 -3.53 0.00 -1.26 -3.09 105.19 105.13 1wgp n GLY 56 Ca 0.02 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.16 0.61 0.30 1.61 1.81 -1.26 -4.08 118.95 117.78 1wgp s ARG 57 Ca 0.00 -0.94 -0.20 0.00 -1.72 0.00 0.00 55.73 52.87 1wgp s ARG 57 Cb 0.00 0.23 0.03 0.00 -0.45 0.00 0.00 34.95 34.76 1wgp s ARG 57 CO 0.00 -0.14 0.74 -0.51 -0.68 0.00 0.00 175.30 174.71 1wgp s LEU 58 N -2.47 -0.20 -0.08 2.53 1.02 -1.26 -4.46 118.68 113.76 1wgp s LEU 58 Ca -0.00 -0.72 0.03 0.00 0.02 0.00 0.00 54.13 53.46 1wgp s LEU 58 Cb 0.02 2.75 0.01 0.00 0.02 0.00 0.00 46.19 48.99 1wgp s LEU 58 CO -0.07 -1.41 -0.17 -1.83 0.02 0.00 0.00 176.35 172.88 1wgp s GLU 59 N -3.57 2.26 -0.13 1.70 -1.05 -1.06 -1.98 118.70 114.88 1wgp s GLU 59 Ca 0.12 -0.60 -0.09 0.00 -0.15 0.00 0.00 54.97 54.24 1wgp s GLU 59 Cb -0.06 -1.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 1wgp s GLU 59 CO 0.08 0.08 0.19 0.45 0.95 0.00 0.00 175.26 177.01 1wgp s SER 60 N 0.56 6.41 -0.03 0.83 0.15 0.15 -1.93 113.70 119.84 1wgp s SER 60 Ca -0.16 0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 1wgp s SER 60 Cb -0.17 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1wgp s SER 60 CO 0.05 0.32 0.10 -0.69 1.20 0.00 0.00 173.24 174.22 1wgp s VAL 61 N -0.57 0.02 0.01 4.45 1.01 0.20 0.35 120.40 125.86 1wgp s VAL 61 Ca 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1wgp s VAL 61 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1wgp s VAL 61 CO 0.04 -0.10 -0.21 0.28 0.00 0.00 0.00 175.10 175.10 1wgp s THR 62 N -0.30 1.69 -0.16 3.92 -1.32 -1.22 -0.28 115.64 117.97 1wgp s THR 62 Ca -0.04 -1.06 0.04 0.00 -1.21 0.00 0.00 61.69 59.42 1wgp s THR 62 Cb -0.03 -1.44 -0.12 0.00 -1.51 0.00 0.00 72.50 69.41 1wgp s THR 62 CO 0.00 0.35 -0.10 0.35 -2.21 0.00 0.00 174.62 173.01 1wgp n THR 63 N 2.20 0.93 -3.21 5.08 -2.24 -1.26 -3.80 114.28 111.98 1wgp n THR 63 Ca -0.16 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.12 1wgp n THR 63 Cb 0.53 -0.98 0.03 0.00 -2.10 0.00 0.00 70.33 67.81 1wgp n THR 63 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wgp n ASP 64 N -2.86 -7.06 0.00 3.42 8.00 -1.26 -3.87 116.55 112.91 1wgp n ASP 64 Ca -0.27 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1wgp n ASP 64 Cb 0.84 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1wgp n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wgp n GLY 65 N -1.55 1.70 0.00 0.44 0.00 -1.26 -4.99 105.19 99.54 1wgp n GLY 65 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.79 5.00 -0.02 0.00 -1.25 -5.04 105.19 104.67 1wgp n GLY 66 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.50 1.61 0.63 -1.26 -4.66 116.66 109.48 1wgp n ARG 67 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 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 -0.58 0.00 6.15 0.15 -1.26 -5.15 113.70 113.01 1wgp s SER 68 Ca 0.00 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1wgp s SER 68 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wgp s SER 68 CO 0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1wgp n GLY 69 N 0.49 -0.30 2.92 9.45 0.00 -1.26 -5.06 105.19 111.43 1wgp n GLY 69 Ca -0.17 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.07 0.24 -0.30 1.61 0.08 -1.26 -5.13 117.98 111.14 1wgp s PHE 70 Ca 0.00 -0.06 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1wgp s PHE 70 Cb 0.00 -0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.27 1wgp s PHE 70 CO 0.00 -0.01 0.18 0.71 -0.10 0.00 0.00 175.22 176.01 1wgp s TYR 71 N -0.11 3.20 -0.68 0.36 1.51 -1.26 -4.79 117.35 115.58 1wgp s TYR 71 Ca 0.01 -0.22 -0.17 0.00 -1.01 0.00 0.00 57.07 55.67 1wgp s TYR 71 Cb -0.01 -2.39 0.14 0.00 -0.11 0.00 0.00 41.96 39.59 1wgp s TYR 71 CO -0.00 -0.32 0.74 1.21 -1.11 0.00 0.00 175.55 176.07 1wgp s ASN 72 N 1.69 6.38 0.33 2.29 3.84 -1.25 -4.96 114.94 123.27 1wgp s ASN 72 Ca 0.06 -1.86 -0.17 0.00 0.21 0.00 0.00 52.86 51.10 1wgp s ASN 72 Cb -0.17 -2.28 -0.09 0.00 -0.55 0.00 0.00 41.25 38.16 1wgp s ASN 72 CO 0.09 -0.95 0.78 -0.60 -2.79 0.00 0.00 177.10 173.64 1wgp s ARG 73 N 1.94 4.09 0.31 0.43 3.52 -1.26 -3.46 118.95 124.53 1wgp s ARG 73 Ca 0.14 0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 56.39 1wgp s ARG 73 Cb -0.19 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.78 1wgp s ARG 73 CO 0.00 0.15 0.67 0.45 -0.81 0.00 0.00 175.30 175.76 1wgp s SER 74 N -2.16 -0.02 0.11 -2.12 0.15 0.15 -4.97 113.70 104.84 1wgp s SER 74 Ca 0.54 -0.93 0.05 0.00 0.70 0.00 0.00 55.95 56.31 1wgp s SER 74 Cb -0.11 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1wgp s SER 74 CO 0.17 -1.41 -0.13 -0.22 1.20 0.00 0.00 173.24 172.85 1wgp s LEU 75 N -3.02 2.39 0.35 3.45 2.96 -1.26 0.30 118.68 123.84 1wgp s LEU 75 Ca 0.17 -0.79 0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1wgp s LEU 75 Cb -0.04 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.09 1wgp s LEU 75 CO 0.10 -0.16 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.16 1wgp s LEU 76 N -2.36 2.69 0.00 -0.68 1.43 -0.84 -4.86 118.68 114.07 1wgp s LEU 76 Ca 0.07 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1wgp s LEU 76 Cb -0.05 -0.87 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 1wgp s LEU 76 CO 0.02 -0.33 0.03 2.29 0.23 0.00 0.00 176.35 178.60 1wgp n LYS 77 N -0.80 0.75 -2.09 1.70 2.85 -1.26 -4.01 118.16 115.29 1wgp n LYS 77 Ca -0.05 -0.71 -0.42 0.00 -1.05 0.00 0.00 58.31 56.08 1wgp n LYS 77 Cb 0.65 0.42 -0.03 0.00 -0.65 0.00 0.00 35.03 35.42 1wgp n LYS 77 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1wgp s GLU 78 N -2.32 4.23 0.00 -1.58 -1.05 -1.26 -2.92 118.70 113.81 1wgp s GLU 78 Ca 0.05 2.11 0.00 0.00 -0.15 0.00 0.00 54.97 56.98 1wgp s GLU 78 Cb 0.00 -3.69 0.00 0.00 -0.44 0.00 0.00 34.13 30.00 1wgp s GLU 78 CO 0.03 -0.69 0.00 0.41 0.95 0.00 0.00 175.26 175.96 1wgp n GLY 79 N 3.86 3.53 3.77 -3.83 0.00 -1.26 -5.09 105.19 106.18 1wgp n GLY 79 Ca 0.15 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 6.51 0.35 1.61 2.15 -1.15 -4.94 116.67 121.20 1wgp s ASP 80 Ca 0.00 2.46 0.09 0.00 0.43 0.00 0.00 52.55 55.53 1wgp s ASP 80 Cb 0.00 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.93 1wgp s ASP 80 CO 0.00 -0.69 -0.08 0.72 -0.17 0.00 0.00 175.17 174.94 1wgp s PHE 81 N -1.33 2.42 0.27 -5.34 -0.12 -1.26 -4.22 117.98 108.40 1wgp s PHE 81 Ca 0.56 -0.50 0.11 0.00 -0.05 0.00 0.00 56.93 57.05 1wgp s PHE 81 Cb -0.34 -1.40 -0.05 0.00 -0.63 0.00 0.00 43.02 40.61 1wgp s PHE 81 CO 0.43 0.57 -0.13 0.00 -0.05 0.00 0.00 175.22 176.04 1wgp n GLY 83 N -0.71 -0.19 0.21 0.00 0.00 -1.26 -4.28 105.19 98.96 1wgp n GLY 83 Ca -0.06 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.63 0.29 -1.07 1.61 3.04 -1.94 -2.76 116.42 113.96 1wgp h ASP 84 Ca -0.64 -0.10 0.31 0.00 -3.24 0.00 0.00 57.03 53.35 1wgp h ASP 84 Cb 1.40 -0.08 -0.12 0.00 -1.04 0.00 0.00 39.33 39.48 1wgp h ASP 84 CO 0.74 0.61 0.66 -0.33 -2.04 0.00 0.00 179.24 178.87 1wgp h GLU 85 N 0.25 0.33 -0.42 4.15 4.39 -1.88 0.58 114.58 121.98 1wgp h GLU 85 Ca 0.03 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1wgp h GLU 85 Cb 0.71 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 1wgp h GLU 85 CO 0.05 0.22 0.04 1.25 -1.16 0.00 0.00 179.01 179.41 1wgp h LEU 86 N 0.34 -0.09 -0.67 1.33 5.85 -1.83 1.16 115.31 121.40 1wgp h LEU 86 Ca 0.69 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.64 1wgp h LEU 86 Cb 1.72 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.79 1wgp h LEU 86 CO -0.45 -0.01 0.13 0.25 -0.34 0.00 0.00 178.44 178.02 1wgp h LEU 87 N 0.16 -0.04 -0.30 2.25 5.85 0.01 0.85 115.31 124.09 1wgp h LEU 87 Ca 0.21 0.14 -0.20 0.00 0.84 0.00 0.00 57.88 58.87 1wgp h LEU 87 Cb 0.28 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1wgp h LEU 87 CO -0.31 -0.03 -0.67 0.74 -0.34 0.00 0.00 178.44 177.82 1wgp h THR 88 N 0.24 1.30 -0.25 1.05 2.02 -0.91 -2.01 112.91 114.36 1wgp h THR 88 Ca 0.37 -1.91 0.05 0.00 0.77 0.00 0.00 66.41 65.69 1wgp h THR 88 Cb 0.59 1.87 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1wgp h THR 88 CO -0.48 0.60 -0.48 -0.25 0.37 0.00 0.00 175.52 175.28 1wgp h TRP 89 N 0.52 -1.43 -0.54 3.16 7.01 0.36 1.37 115.95 126.41 1wgp h TRP 89 Ca -0.02 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1wgp h TRP 89 Cb 1.27 0.66 -0.03 0.00 -2.10 0.00 0.00 29.16 28.96 1wgp h TRP 89 CO 0.07 -0.49 0.35 0.00 -2.79 0.00 0.00 178.44 175.58 1wgp h ALA 90 N 0.05 0.68 0.00 2.65 0.00 -1.12 0.15 119.26 121.66 1wgp h ALA 90 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wgp h ALA 90 Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wgp h ALA 90 CO -0.49 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.17 1wgp n LEU 91 N -4.71 0.56 -4.33 0.00 4.32 0.02 -4.19 117.00 108.68 1wgp n LEU 91 Ca 0.03 0.73 -0.39 0.00 -0.02 0.00 0.00 56.01 56.36 1wgp n LEU 91 Cb 0.03 -0.77 -0.12 0.00 -1.62 0.00 0.00 43.42 40.94 1wgp n LEU 91 CO 0.35 -0.86 -0.20 -1.81 -1.22 0.00 0.00 177.39 173.66 1wgp s ASP 92 N -4.03 5.56 0.21 -1.43 1.11 0.45 -4.86 116.67 113.69 1wgp s ASP 92 Ca -0.01 -1.08 0.08 0.00 0.18 0.00 0.00 52.55 51.72 1wgp s ASP 92 Cb 0.07 -1.96 0.14 0.00 1.07 0.00 0.00 42.92 42.23 1wgp s ASP 92 CO 0.23 -0.37 1.48 1.55 1.18 0.00 0.00 175.17 179.24 1wgp h PRO 93 N 8.35 0.04 -0.67 8.23 0.13 -1.76 -3.08 132.00 143.24 1wgp h PRO 93 Ca -0.24 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1wgp h PRO 93 Cb 1.09 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1wgp h PRO 93 CO 0.65 0.78 0.44 0.87 -0.23 0.00 0.00 178.00 180.51 1wgp h LYS 94 N 0.03 0.73 -5.37 0.86 1.79 -1.92 -3.28 116.57 109.41 1wgp h LYS 94 Ca -0.01 -0.04 -0.59 0.00 -2.18 0.00 0.00 60.65 57.82 1wgp h LYS 94 Cb 1.34 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1wgp h LYS 94 CO 0.10 0.48 2.06 0.43 -1.08 0.00 0.00 179.45 181.44 1wgp n SER 95 N -4.47 4.09 -4.72 0.86 7.64 -1.17 -4.93 113.62 110.93 1wgp n SER 95 Ca 0.09 -2.83 -0.39 0.00 1.01 0.00 0.00 58.87 56.75 1wgp n SER 95 Cb 0.17 -1.68 -0.06 0.00 -1.01 0.00 0.00 64.21 61.63 1wgp n SER 95 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgp s GLY 96 N 4.73 2.46 0.31 0.23 0.00 -1.24 -4.92 107.32 108.89 1wgp s GLY 96 Ca 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1wgp s GLY 96 CO 0.07 0.93 0.00 1.44 0.00 0.00 0.00 173.10 175.54 1wgp n SER 97 N 3.75 -7.37 -2.45 1.64 7.64 -1.26 -5.01 113.62 110.56 1wgp n SER 97 Ca -0.05 0.56 -0.02 0.00 1.01 0.00 0.00 58.87 60.38 1wgp n SER 97 Cb 0.51 -3.79 -0.02 0.00 -1.01 0.00 0.00 64.21 59.91 1wgp n SER 97 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1wgp n ASN 98 N -3.83 -5.71 -4.72 6.43 3.02 -1.26 -4.92 115.26 104.26 1wgp n ASN 98 Ca 0.00 1.61 -0.32 0.00 -0.03 0.00 0.00 54.58 55.83 1wgp n ASN 98 Cb 0.57 -4.82 0.11 0.00 -0.61 0.00 0.00 39.78 35.03 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 -0.55 3.09 1.04 3.41 1.43 -1.26 -5.02 118.68 120.82 1wgp s LEU 99 Ca -0.10 2.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.96 1wgp s LEU 99 Cb 0.01 -4.56 0.22 0.00 0.03 0.00 0.00 46.19 41.88 1wgp s LEU 99 CO 0.27 -2.43 1.20 -2.16 0.23 0.00 0.00 176.35 173.46 1wgp s PRO 100 N -4.45 0.06 0.03 1.29 0.04 -1.26 -4.71 135.00 126.00 1wgp s PRO 100 Ca 0.67 -0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.68 1wgp s PRO 100 Cb -0.23 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1wgp s PRO 100 CO 0.52 -2.85 -0.25 -1.12 0.04 0.00 0.00 177.00 173.34 1wgp s SER 101 N -4.32 2.95 0.92 6.66 0.01 -1.26 -0.92 113.70 117.74 1wgp s SER 101 Ca 0.70 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1wgp s SER 101 Cb -0.08 -0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.01 1wgp s SER 101 CO 0.54 0.24 1.09 -0.55 0.41 0.00 0.00 173.24 174.98 1wgp s SER 102 N -1.11 3.17 -0.11 2.44 0.15 -1.26 -4.83 113.70 112.16 1wgp s SER 102 Ca 0.10 1.71 0.08 0.00 0.70 0.00 0.00 55.95 58.54 1wgp s SER 102 Cb -0.10 -2.34 -0.24 0.00 -1.71 0.00 0.00 66.02 61.64 1wgp s SER 102 CO 0.01 -2.86 0.41 0.35 1.20 0.00 0.00 173.24 172.36 1wgp n THR 103 N -4.05 1.60 -3.81 6.45 -2.24 -1.26 -4.82 114.28 106.15 1wgp n THR 103 Ca 0.08 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 1wgp n THR 103 Cb 0.54 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 67.59 1wgp n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wgp s ARG 104 N -2.56 1.29 -0.40 -0.78 3.03 -1.26 -5.02 118.95 113.24 1wgp s ARG 104 Ca -0.12 -0.96 -0.19 0.00 2.03 0.00 0.00 55.73 56.48 1wgp s ARG 104 Cb 0.07 0.47 0.01 0.00 -1.03 0.00 0.00 34.95 34.48 1wgp s ARG 104 CO 0.79 -0.52 0.57 0.99 -1.13 0.00 0.00 175.30 176.00 1wgp s THR 105 N -3.90 4.94 -0.01 4.99 2.01 0.61 -4.33 115.64 119.94 1wgp s THR 105 Ca 0.11 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1wgp s THR 105 Cb 0.01 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1wgp s THR 105 CO -0.02 -0.42 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.72 1wgp s VAL 106 N 2.56 3.54 0.20 3.82 1.01 -0.92 0.59 120.40 131.20 1wgp s VAL 106 Ca 0.20 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1wgp s VAL 106 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1wgp s VAL 106 CO 0.16 0.45 -0.02 -0.75 0.00 0.00 0.00 175.10 174.94 1wgp s LYS 107 N -1.23 1.23 -0.36 2.72 2.20 -0.81 -2.86 119.74 120.63 1wgp s LYS 107 Ca 0.15 -1.60 -0.11 0.00 -0.36 0.00 0.00 55.97 54.05 1wgp s LYS 107 Cb -0.11 -0.55 0.01 0.00 -1.51 0.00 0.00 37.83 35.68 1wgp s LYS 107 CO 0.05 -0.07 0.21 0.00 -0.36 0.00 0.00 175.35 175.19 1wgp s ALA 108 N -3.45 3.33 -0.10 3.13 0.00 -0.36 -2.56 121.76 121.75 1wgp s ALA 108 Ca 0.25 -1.60 0.20 0.00 0.00 0.00 0.00 51.96 50.82 1wgp s ALA 108 Cb 0.05 -2.59 -0.29 0.00 0.00 0.00 0.00 23.12 20.29 1wgp s ALA 108 CO 0.06 -1.23 0.38 1.28 0.00 0.00 0.00 175.76 176.25 1wgp n LEU 109 N 5.03 0.07 -4.12 0.00 4.32 -1.26 -3.01 117.00 118.02 1wgp n LEU 109 Ca -0.12 0.03 -0.12 0.00 -0.02 0.00 0.00 56.01 55.77 1wgp n LEU 109 Cb 0.47 0.16 -0.11 0.00 -1.62 0.00 0.00 43.42 42.33 1wgp n LEU 109 CO 0.36 0.16 -0.40 0.28 -1.22 0.00 0.00 177.39 176.58 1wgp s THR 110 N -3.15 0.65 -0.35 -5.08 -1.32 -1.26 -4.94 115.64 100.19 1wgp s THR 110 Ca -0.08 -1.53 -0.44 0.00 -1.21 0.00 0.00 61.69 58.43 1wgp s THR 110 Cb 0.11 -1.18 -0.18 0.00 -1.51 0.00 0.00 72.50 69.74 1wgp s THR 110 CO 0.88 -0.62 1.58 1.21 -2.21 0.00 0.00 174.62 175.45 1wgp n GLU 111 N 0.69 0.43 -4.27 7.08 2.13 -1.26 -4.68 120.64 120.74 1wgp n GLU 111 Ca -0.17 0.16 -0.28 0.00 0.66 0.00 0.00 57.16 57.52 1wgp n GLU 111 Cb 0.58 -1.72 -0.10 0.00 0.27 0.00 0.00 31.44 30.47 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 2.76 3.18 -0.24 6.31 1.01 -1.22 -4.50 120.40 127.69 1wgp s VAL 112 Ca 1.00 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1wgp s VAL 112 Cb -1.31 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1wgp s VAL 112 CO 0.73 -0.01 0.05 -1.61 0.00 0.00 0.00 175.10 174.25 1wgp s GLU 113 N -2.53 0.80 0.33 2.72 2.02 -1.18 -4.01 118.70 116.86 1wgp s GLU 113 Ca 0.23 -0.73 -0.18 0.00 0.02 0.00 0.00 54.97 54.30 1wgp s GLU 113 Cb -0.10 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 32.06 1wgp s GLU 113 CO 0.14 -0.76 0.77 0.00 0.02 0.00 0.00 175.26 175.43 1wgp s ALA 114 N 1.72 -0.99 0.47 5.21 0.00 -1.26 -2.12 121.76 124.79 1wgp s ALA 114 Ca 0.02 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1wgp s ALA 114 Cb -0.17 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1wgp s ALA 114 CO -0.14 -1.01 0.25 -0.06 0.00 0.00 0.00 175.76 174.80 1wgp s PHE 115 N -3.01 2.20 0.39 0.00 0.40 -1.25 -4.39 117.98 112.33 1wgp s PHE 115 Ca 0.14 -0.71 0.08 0.00 -0.60 0.00 0.00 56.93 55.84 1wgp s PHE 115 Cb -0.05 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1wgp s PHE 115 CO 0.09 -0.06 0.29 0.00 0.70 0.00 0.00 175.22 176.24 1wgp s ALA 116 N -2.68 3.85 -0.26 5.36 0.00 -1.22 -2.83 121.76 123.98 1wgp s ALA 116 Ca 0.35 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.34 1wgp s ALA 116 Cb 0.01 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.36 1wgp s ALA 116 CO 0.20 -0.13 0.58 -1.17 0.00 0.00 0.00 175.76 175.23 1wgp s LEU 117 N -4.02 -0.95 0.19 0.00 1.98 0.66 -3.47 118.68 113.07 1wgp s LEU 117 Ca 0.44 1.38 -0.21 0.00 -2.89 0.00 0.00 54.13 52.85 1wgp s LEU 117 Cb -0.02 2.00 -0.08 0.00 0.66 0.00 0.00 46.19 48.75 1wgp s LEU 117 CO 0.26 -0.22 0.72 -0.51 -1.89 0.00 0.00 176.35 174.70 1wgp s ILE 118 N 2.68 4.54 0.07 6.68 2.07 -1.26 0.19 121.20 136.18 1wgp s ILE 118 Ca -0.05 1.36 -0.22 0.00 -1.41 0.00 0.00 60.65 60.33 1wgp s ILE 118 Cb -0.11 -3.92 -0.12 0.00 0.13 0.00 0.00 42.46 38.43 1wgp s ILE 118 CO -0.17 0.31 1.60 0.00 -1.91 0.00 0.00 174.94 174.77 1wgp h ALA 119 N 3.72 0.14 -0.41 1.50 0.00 -1.89 -1.86 119.26 120.47 1wgp h ALA 119 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wgp h ALA 119 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wgp h ALA 119 CO 0.65 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 1wgp n ASP 120 N -4.91 0.00 -0.33 0.00 8.00 -1.26 0.16 116.55 118.21 1wgp n ASP 120 Ca -0.05 0.93 0.29 0.00 0.71 0.00 0.00 54.79 56.66 1wgp n ASP 120 Cb 0.12 -0.43 0.61 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.22 0.01 -1.24 4.39 -1.98 0.30 114.58 116.28 1wgp h GLU 121 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wgp h GLU 121 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1wgp h GLU 121 CO 0.00 0.14 -0.01 1.25 -1.16 0.00 0.00 179.01 179.24 1wgp h LEU 122 N 0.22 -0.02 -0.91 1.33 6.46 0.90 -0.65 115.31 122.65 1wgp h LEU 122 Ca 0.60 0.00 0.26 0.00 -0.12 0.00 0.00 57.88 58.62 1wgp h LEU 122 Cb 1.87 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.66 1wgp h LEU 122 CO -0.20 -0.01 0.26 0.50 -0.62 0.00 0.00 178.44 178.38 1wgp h LYS 123 N -0.03 0.18 0.32 1.25 3.64 0.23 0.96 116.57 123.12 1wgp h LYS 123 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1wgp h LYS 123 Cb 0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1wgp h LYS 123 CO 0.00 0.12 -0.36 0.35 -2.27 0.00 0.00 179.45 177.29 1wgp h PHE 124 N 0.18 -1.00 0.00 1.91 3.04 -0.42 1.51 116.94 122.16 1wgp h PHE 124 Ca 0.59 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.55 1wgp h PHE 124 Cb 1.25 0.39 -0.00 0.00 2.56 0.00 0.00 35.95 40.16 1wgp h PHE 124 CO -0.25 -0.47 -0.02 -0.24 -2.02 0.00 0.00 178.31 175.32 1wgp h VAL 125 N -0.68 0.59 -0.10 1.41 3.04 0.55 0.14 116.25 121.20 1wgp h VAL 125 Ca -0.04 -0.07 -0.22 0.00 -1.01 0.00 0.00 66.70 65.36 1wgp h VAL 125 Cb 0.60 1.04 0.01 0.00 -2.01 0.00 0.00 31.29 30.93 1wgp h VAL 125 CO -0.06 0.02 -0.83 0.00 -1.01 0.00 0.00 177.57 175.68 1wgp h ALA 126 N 1.98 0.34 0.14 3.17 0.00 0.21 -3.28 119.26 121.83 1wgp h ALA 126 Ca -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1wgp h ALA 126 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wgp h ALA 126 CO 0.00 0.71 -0.07 1.03 0.00 0.00 0.00 179.25 180.92 1wgp h SER 127 N 0.44 -0.16 -1.20 0.00 0.87 0.40 0.91 113.55 114.80 1wgp h SER 127 Ca -0.06 -0.23 0.43 0.00 -1.23 0.00 0.00 61.79 60.69 1wgp h SER 127 Cb 1.45 0.04 -0.13 0.00 -0.44 0.00 0.00 62.40 63.32 1wgp h SER 127 CO 0.16 0.15 0.76 0.00 -0.53 0.00 0.00 176.83 177.37 1wgp n GLN 128 N -5.04 -0.04 -0.10 2.24 1.13 -0.39 -1.41 117.38 113.78 1wgp n GLN 128 Ca -0.09 1.14 -0.15 0.00 -1.94 0.00 0.00 57.00 55.96 1wgp n GLN 128 Cb 0.21 -2.23 -0.06 0.00 0.11 0.00 0.00 30.24 28.27 1wgp n GLN 128 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1wgp n PHE 129 N -4.57 0.31 -3.08 1.08 7.35 -1.08 -5.06 117.46 112.41 1wgp n PHE 129 Ca 0.36 0.14 -0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1wgp n PHE 129 Cb 1.39 -0.76 -0.00 0.00 0.35 0.00 0.00 39.48 40.45 1wgp n PHE 129 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1wgp n ARG 130 N -4.43 -1.08 -0.06 -4.13 1.74 0.31 -4.92 116.66 104.09 1wgp n ARG 130 Ca -0.26 1.25 -0.12 0.00 -0.77 0.00 0.00 57.85 57.96 1wgp n ARG 130 Cb 0.59 -1.80 -0.11 0.00 -1.02 0.00 0.00 32.46 30.12 1wgp n ARG 130 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1wgp h ARG 131 N 3.75 -0.01 -5.70 5.56 2.43 -1.90 -3.50 114.38 115.01 1wgp h ARG 131 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1wgp h ARG 131 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1wgp h ARG 131 CO 0.02 0.80 -0.94 0.45 -1.51 0.00 0.00 179.97 178.78 1wgp n SER 132 N -4.66 -6.24 -2.38 -3.80 2.88 -1.26 -5.02 113.62 93.14 1wgp n SER 132 Ca -0.08 1.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.42 1wgp n SER 132 Cb 0.39 -3.45 0.01 0.00 -0.75 0.00 0.00 64.21 60.42 1wgp n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 133 N 1.36 1.34 3.61 0.46 0.00 -1.26 -5.02 105.19 105.68 1wgp n GLY 133 Ca -0.07 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.56 3.71 -0.26 1.61 0.04 -1.26 -4.95 135.00 131.32 1wgp s PRO 134 Ca 0.09 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1wgp s PRO 134 Cb -0.01 -3.97 0.15 0.00 0.04 0.00 0.00 34.50 30.71 1wgp s PRO 134 CO 0.06 -1.39 0.44 -1.54 0.04 0.00 0.00 177.00 174.61 1wgp s SER 135 N 3.53 -0.25 -0.04 6.66 1.04 -1.26 -5.15 113.70 118.23 1wgp s SER 135 Ca 0.60 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 57.39 1wgp s SER 135 Cb -0.15 1.43 -0.04 0.00 0.10 0.00 0.00 66.02 67.36 1wgp s SER 135 CO 0.29 -0.29 0.16 -0.94 0.98 0.00 0.00 173.24 173.44 1wgp s SER 136 N 2.64 6.31 0.00 7.02 1.04 -1.26 -5.26 113.70 124.19 1wgp s SER 136 Ca 0.15 0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.97 1wgp s SER 136 Cb -0.15 -1.99 0.16 0.00 0.10 0.00 0.00 66.02 64.14 1wgp s SER 136 CO -0.18 0.31 0.65 0.61 0.98 0.00 0.00 173.24 175.61