#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 -1.88 0.21 1.61 3.41 -1.26 -5.03 113.62 110.67 1wgp n SER 2 Ca 0.00 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 1wgp n SER 2 Cb 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1wgp n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgp n SER 3 N 2.63 -3.56 -3.67 4.04 2.88 -1.26 -5.15 113.62 109.54 1wgp n SER 3 Ca 0.13 0.79 -0.14 0.00 -1.33 0.00 0.00 58.87 58.32 1wgp n SER 3 Cb 0.63 3.37 -0.08 0.00 -0.75 0.00 0.00 64.21 67.37 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 -2.21 -0.43 -0.02 0.46 0.00 -1.26 -5.08 107.32 98.79 1wgp s GLY 4 Ca 0.00 1.52 -0.07 0.00 0.00 0.00 0.00 44.72 46.17 1wgp s GLY 4 CO 0.00 1.29 -0.14 1.44 0.00 0.00 0.00 173.10 175.69 1wgp n SER 5 N 2.56 1.40 -1.05 1.64 7.64 -1.26 -5.14 113.62 119.41 1wgp n SER 5 Ca -0.14 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1wgp n SER 5 Cb 0.56 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1wgp n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgp n SER 6 N -3.86 -6.02 0.00 6.43 2.88 -1.26 -5.01 113.62 106.79 1wgp n SER 6 Ca -0.07 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1wgp n SER 6 Cb 0.24 -2.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.93 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 -0.83 2.12 3.55 0.46 0.00 -1.26 -4.87 105.19 104.36 1wgp n GLY 7 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 2.41 -2.23 1.61 0.31 -1.26 -4.48 118.33 114.69 1wgp n VAL 8 Ca 0.00 -2.49 -0.43 0.00 -0.01 0.00 0.00 64.34 61.42 1wgp n VAL 8 Cb 0.00 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 30.71 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 8.21 3.21 -3.56 5.55 1.74 -1.26 -4.51 116.66 126.04 1wgp n ARG 9 Ca 0.46 -3.16 -0.24 0.00 -0.77 0.00 0.00 57.85 54.13 1wgp n ARG 9 Cb 0.46 -3.19 0.03 0.00 -1.02 0.00 0.00 32.46 28.74 1wgp n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wgp n ARG 10 N 5.82 -1.36 -1.70 5.56 1.74 -1.26 -4.95 116.66 120.51 1wgp n ARG 10 Ca 0.46 0.70 -0.31 0.00 -0.77 0.00 0.00 57.85 57.92 1wgp n ARG 10 Cb 0.40 -4.28 0.04 0.00 -1.02 0.00 0.00 32.46 27.60 1wgp n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wgp s VAL 11 N -3.32 4.14 -1.17 1.55 -7.23 -1.26 -4.93 120.40 108.17 1wgp s VAL 11 Ca 0.34 0.74 0.22 0.00 -1.81 0.00 0.00 61.98 61.47 1wgp s VAL 11 Cb -0.11 -3.49 0.27 0.00 0.56 0.00 0.00 36.38 33.61 1wgp s VAL 11 CO 0.84 -0.87 1.71 -0.81 -0.31 0.00 0.00 175.10 175.67 1wgp n PRO 12 N -2.89 0.13 0.24 4.82 -0.04 -1.26 -3.55 135.00 132.45 1wgp n PRO 12 Ca 0.07 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1wgp n PRO 12 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1wgp n PRO 12 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wgp h LEU 13 N 0.00 -0.54 -4.67 1.53 3.38 -2.02 -3.25 115.31 109.73 1wgp h LEU 13 Ca 0.00 0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.50 1wgp h LEU 13 Cb 0.31 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1wgp h LEU 13 CO 0.00 -0.25 1.57 0.49 0.09 0.00 0.00 178.44 180.34 1wgp n PHE 14 N -4.46 1.46 -0.01 1.13 3.72 -1.23 -4.48 117.46 113.58 1wgp n PHE 14 Ca -0.08 -2.30 -0.11 0.00 -0.05 0.00 0.00 57.45 54.91 1wgp n PHE 14 Cb 0.25 -1.89 -0.09 0.00 -0.94 0.00 0.00 39.48 36.80 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 3.90 -0.07 -0.57 -1.08 5.08 -1.72 -3.30 114.58 116.82 1wgp h GLU 15 Ca 0.53 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1wgp h GLU 15 Cb 0.79 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1wgp h GLU 15 CO 1.04 0.53 0.00 0.27 -1.00 0.00 0.00 179.01 179.85 1wgp n ASN 16 N -4.78 5.03 -4.75 1.42 6.94 -1.26 -4.96 115.26 112.89 1wgp n ASN 16 Ca -0.08 -2.69 -0.40 0.00 -0.02 0.00 0.00 54.58 51.39 1wgp n ASN 16 Cb 0.31 -0.61 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 1wgp n ASN 16 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1wgp s MET 17 N -2.30 4.79 0.12 -3.83 -1.94 -1.24 -4.94 119.30 109.95 1wgp s MET 17 Ca 0.51 1.59 0.06 0.00 -1.71 0.00 0.00 55.69 56.13 1wgp s MET 17 Cb 0.36 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1wgp s MET 17 CO 0.19 0.42 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.11 1wgp s ASP 18 N -1.09 4.90 0.28 3.03 1.01 -1.26 -4.99 116.67 118.55 1wgp s ASP 18 Ca 0.42 -0.26 -0.00 0.00 0.71 0.00 0.00 52.55 53.42 1wgp s ASP 18 Cb -0.28 -1.12 0.64 0.00 1.01 0.00 0.00 42.92 43.17 1wgp s ASP 18 CO 0.35 0.15 1.65 -0.33 0.21 0.00 0.00 175.17 177.19 1wgp h GLU 19 N 3.23 0.18 -0.71 8.23 5.08 -1.98 1.26 114.58 129.88 1wgp h GLU 19 Ca -0.48 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.01 1wgp h GLU 19 Cb 1.18 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1wgp h GLU 19 CO 0.58 0.12 0.47 0.00 -1.00 0.00 0.00 179.01 179.19 1wgp h ARG 20 N 0.19 0.39 0.00 2.33 2.47 -1.99 0.42 114.38 118.18 1wgp h ARG 20 Ca 0.52 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 59.03 1wgp h ARG 20 Cb 1.00 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.21 1wgp h ARG 20 CO -0.65 0.26 -0.86 1.25 0.56 0.00 0.00 179.97 180.52 1wgp h LEU 21 N 0.40 0.00 0.42 3.04 5.85 0.11 -2.55 115.31 122.58 1wgp h LEU 21 Ca 0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1wgp h LEU 21 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1wgp h LEU 21 CO -0.10 0.85 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.57 1wgp h LEU 22 N 0.00 -0.48 0.00 2.25 -0.00 0.23 0.72 115.31 118.03 1wgp h LEU 22 Ca -0.01 -0.10 0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1wgp h LEU 22 Cb 1.66 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 42.40 1wgp h LEU 22 CO 0.11 -0.07 -0.23 -0.78 -0.00 0.00 0.00 178.44 177.47 1wgp h ASP 23 N -1.00 -0.67 0.13 -0.43 3.58 -0.70 1.45 116.42 118.79 1wgp h ASP 23 Ca -0.06 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1wgp h ASP 23 Cb 0.55 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 1wgp h ASP 23 CO 0.10 -0.30 -0.39 0.00 -2.88 0.00 0.00 179.24 175.77 1wgp h ALA 24 N 0.50 -0.91 -0.82 -0.78 0.00 -1.51 1.52 119.26 117.27 1wgp h ALA 24 Ca 0.06 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1wgp h ALA 24 Cb 0.44 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1wgp h ALA 24 CO -0.20 -0.99 0.54 0.82 0.00 0.00 0.00 179.25 179.42 1wgp h ILE 25 N -0.58 0.81 -0.37 0.00 2.04 -0.59 0.22 117.51 119.03 1wgp h ILE 25 Ca -0.01 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1wgp h ILE 25 Cb 0.57 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1wgp h ILE 25 CO -0.19 0.10 0.05 0.00 0.00 0.00 0.00 178.15 178.11 1wgp h GLU 27 N 0.47 0.00 0.12 0.00 5.08 0.53 0.59 114.58 121.37 1wgp h GLU 27 Ca 0.11 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.19 1wgp h GLU 27 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1wgp h GLU 27 CO 0.01 0.00 -1.36 0.00 -1.00 0.00 0.00 179.01 176.66 1wgp h ARG 28 N 0.00 0.25 -6.07 2.33 -0.00 -0.44 -3.46 114.38 106.99 1wgp h ARG 28 Ca 0.00 -0.42 -0.81 0.00 -0.50 0.00 0.00 59.98 58.25 1wgp h ARG 28 Cb 0.05 0.16 0.02 0.00 0.00 0.00 0.00 29.97 30.19 1wgp h ARG 28 CO 0.00 1.15 0.67 1.28 0.00 0.00 0.00 179.97 183.07 1wgp n LEU 29 N -3.48 1.50 -4.79 3.04 4.77 0.20 -4.83 117.00 113.41 1wgp n LEU 29 Ca -0.12 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.74 1wgp n LEU 29 Cb 1.03 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1wgp n LEU 29 CO 0.52 -0.84 -0.23 -0.54 -1.33 0.00 0.00 177.39 174.97 1wgp s LYS 30 N 2.66 2.88 -0.42 3.23 -0.14 -1.19 -4.90 119.74 121.87 1wgp s LYS 30 Ca 1.00 -0.84 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 1wgp s LYS 30 Cb -1.29 -2.65 0.01 0.00 -1.68 0.00 0.00 37.83 32.22 1wgp s LYS 30 CO 0.71 0.50 1.42 -1.25 -0.76 0.00 0.00 175.35 175.97 1wgp s PRO 31 N -2.97 3.55 0.07 -1.68 0.04 -1.26 -2.95 135.00 129.81 1wgp s PRO 31 Ca 0.30 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1wgp s PRO 31 Cb -0.10 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.41 1wgp s PRO 31 CO 0.23 -1.59 0.26 0.00 0.04 0.00 0.00 177.00 175.93 1wgp s LEU 33 N -2.48 2.32 -0.34 0.00 2.96 -1.26 -3.95 118.68 115.93 1wgp s LEU 33 Ca -0.00 -0.68 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1wgp s LEU 33 Cb 0.02 0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.88 1wgp s LEU 33 CO -0.08 -0.41 0.15 -0.36 -1.32 0.00 0.00 176.35 174.33 1wgp s PHE 34 N -2.38 3.22 0.00 5.38 0.08 -1.00 -5.03 117.98 118.26 1wgp s PHE 34 Ca -0.07 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 55.93 1wgp s PHE 34 Cb -0.03 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1wgp s PHE 34 CO -0.04 -0.64 0.00 0.25 -0.10 0.00 0.00 175.22 174.69 1wgp n THR 35 N 4.92 0.00 -2.40 0.64 -2.24 -1.26 -2.72 114.28 111.22 1wgp n THR 35 Ca -0.13 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1wgp n THR 35 Cb 0.46 -1.42 -0.04 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.80 4.57 -1.07 -0.78 -1.05 -1.26 -2.71 118.70 114.60 1wgp s GLU 36 Ca 0.00 1.89 0.00 0.00 -0.15 0.00 0.00 54.97 56.71 1wgp s GLU 36 Cb 0.00 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 1wgp s GLU 36 CO 0.00 0.10 0.00 1.63 0.95 0.00 0.00 175.26 177.94 1wgp n LYS 37 N 1.31 -0.89 -3.63 -4.83 5.02 -1.02 -4.98 118.16 109.13 1wgp n LYS 37 Ca -0.00 0.67 -0.38 0.00 -2.02 0.00 0.00 58.31 56.57 1wgp n LYS 37 Cb 0.44 -4.77 -0.11 0.00 -0.02 0.00 0.00 35.03 30.57 1wgp n LYS 37 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wgp s SER 38 N -2.60 5.72 -0.17 4.39 1.04 -1.10 -4.94 113.70 116.04 1wgp s SER 38 Ca 0.00 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 55.96 1wgp s SER 38 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 1wgp s SER 38 CO 0.00 -0.13 0.48 -0.31 0.98 0.00 0.00 173.24 174.26 1wgp s TYR 39 N 1.68 3.42 -0.19 5.02 2.02 -1.26 -1.27 117.35 126.78 1wgp s TYR 39 Ca 0.06 0.79 -0.21 0.00 -0.37 0.00 0.00 57.07 57.34 1wgp s TYR 39 Cb -0.16 -2.60 -0.18 0.00 -0.40 0.00 0.00 41.96 38.62 1wgp s TYR 39 CO 0.08 0.01 0.25 -0.07 -1.57 0.00 0.00 175.55 174.26 1wgp h LEU 40 N 7.44 0.00 -8.36 -1.29 4.07 -1.92 -3.49 115.31 111.76 1wgp h LEU 40 Ca -0.37 -0.52 -0.23 0.00 0.08 0.00 0.00 57.88 56.85 1wgp h LEU 40 Cb 1.16 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.74 1wgp h LEU 40 CO 0.74 1.30 -0.70 0.68 -1.08 0.00 0.00 178.44 179.37 1wgp s VAL 41 N -2.30 0.62 0.11 1.22 -7.23 -1.26 -4.95 120.40 106.61 1wgp s VAL 41 Ca -0.25 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1wgp s VAL 41 Cb 0.04 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1wgp s VAL 41 CO 0.55 -0.76 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.87 1wgp s ARG 42 N -3.29 0.89 -0.52 4.82 6.06 -1.26 -3.10 118.95 122.55 1wgp s ARG 42 Ca 0.06 -1.22 -0.19 0.00 -2.50 0.00 0.00 55.73 51.89 1wgp s ARG 42 Cb 0.02 -0.56 0.07 0.00 0.06 0.00 0.00 34.95 34.53 1wgp s ARG 42 CO -0.04 0.08 0.63 -2.00 -2.50 0.00 0.00 175.30 171.47 1wgp s GLU 43 N -2.97 3.10 0.00 5.12 2.12 -1.26 -3.39 118.70 121.43 1wgp s GLU 43 Ca 0.08 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1wgp s GLU 43 Cb -0.02 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1wgp s GLU 43 CO 0.00 -1.27 0.00 0.41 -0.54 0.00 0.00 175.26 173.86 1wgp n GLY 44 N 5.19 0.96 3.90 -1.50 0.00 -1.26 -5.04 105.19 107.44 1wgp n GLY 44 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.16 6.42 0.86 1.61 -4.77 -1.25 -5.00 116.67 113.38 1wgp s ASP 45 Ca 0.00 0.84 -0.12 0.00 -3.30 0.00 0.00 52.55 49.98 1wgp s ASP 45 Cb 0.00 -2.20 0.11 0.00 -1.09 0.00 0.00 42.92 39.74 1wgp s ASP 45 CO 0.00 -0.34 1.12 -2.16 0.70 0.00 0.00 175.17 174.49 1wgp s PRO 46 N -3.94 1.53 -0.39 2.11 0.04 -1.26 -3.69 135.00 129.39 1wgp s PRO 46 Ca 0.46 0.43 -0.05 0.00 0.04 0.00 0.00 61.00 61.89 1wgp s PRO 46 Cb -0.10 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.65 1wgp s PRO 46 CO 0.34 -1.96 0.17 0.08 0.04 0.00 0.00 177.00 175.67 1wgp s VAL 47 N -3.23 3.52 -0.00 -0.36 1.01 0.50 -4.84 120.40 116.99 1wgp s VAL 47 Ca 0.63 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.71 1wgp s VAL 47 Cb -0.15 -3.24 -0.22 0.00 0.00 0.00 0.00 36.38 32.78 1wgp s VAL 47 CO 0.54 -0.50 1.12 -1.13 0.00 0.00 0.00 175.10 175.13 1wgp h ASN 48 N 8.15 0.46 -4.99 3.32 -1.24 -1.95 -3.39 115.58 115.94 1wgp h ASN 48 Ca -0.18 -0.73 -0.17 0.00 0.71 0.00 0.00 56.30 55.93 1wgp h ASN 48 Cb 1.06 -0.14 -0.21 0.00 0.73 0.00 0.00 38.32 39.77 1wgp h ASN 48 CO 0.68 1.12 -0.70 -1.83 -1.29 0.00 0.00 177.43 175.41 1wgp s GLU 49 N -3.34 0.34 -0.00 6.67 1.03 -1.26 -2.90 118.70 119.23 1wgp s GLU 49 Ca -0.14 -0.65 -0.11 0.00 0.03 0.00 0.00 54.97 54.10 1wgp s GLU 49 Cb 0.03 0.10 -0.05 0.00 -0.80 0.00 0.00 34.13 33.41 1wgp s GLU 49 CO 0.80 -0.05 0.34 1.41 -1.33 0.00 0.00 175.26 176.43 1wgp s MET 50 N -1.62 3.75 -0.14 -4.83 1.75 0.53 -4.83 119.30 113.91 1wgp s MET 50 Ca -0.14 0.19 -0.03 0.00 -1.25 0.00 0.00 55.69 54.46 1wgp s MET 50 Cb -0.09 -3.14 -0.03 0.00 2.84 0.00 0.00 34.83 34.41 1wgp s MET 50 CO -0.01 0.67 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.47 1wgp s LEU 51 N -1.35 3.21 -0.41 4.11 2.01 -1.26 -0.46 118.68 124.53 1wgp s LEU 51 Ca 0.25 -0.12 -0.04 0.00 0.01 0.00 0.00 54.13 54.23 1wgp s LEU 51 Cb -0.15 -1.76 0.10 0.00 0.01 0.00 0.00 46.19 44.40 1wgp s LEU 51 CO 0.13 0.20 0.21 -0.36 1.01 0.00 0.00 176.35 177.55 1wgp s PHE 52 N 0.15 3.51 -0.08 0.29 0.40 -1.07 -3.51 117.98 117.67 1wgp s PHE 52 Ca -0.02 -2.20 -0.29 0.00 -0.60 0.00 0.00 56.93 53.82 1wgp s PHE 52 Cb -0.14 -3.14 -0.07 0.00 0.51 0.00 0.00 43.02 40.18 1wgp s PHE 52 CO 0.03 -0.95 2.09 0.42 0.70 0.00 0.00 175.22 177.51 1wgp s ILE 53 N 1.21 3.01 -0.15 0.64 -1.09 -1.26 -3.67 121.20 119.89 1wgp s ILE 53 Ca 0.06 0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.37 1wgp s ILE 53 Cb -0.23 -3.01 -0.24 0.00 -1.58 0.00 0.00 42.46 37.41 1wgp s ILE 53 CO -0.03 -0.00 0.30 -0.38 -1.23 0.00 0.00 174.94 173.60 1wgp n ILE 54 N 6.60 1.70 -3.25 2.92 2.08 -1.17 -4.42 119.36 123.81 1wgp n ILE 54 Ca 0.25 -0.44 0.03 0.00 0.56 0.00 0.00 62.75 63.15 1wgp n ILE 54 Cb 0.43 -1.84 -0.04 0.00 -0.75 0.00 0.00 39.64 37.44 1wgp n ILE 54 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1wgp s ARG 55 N -2.49 0.12 0.00 0.38 6.06 -1.12 -4.67 118.95 117.23 1wgp s ARG 55 Ca -0.25 0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.28 1wgp s ARG 55 Cb 0.06 0.18 0.00 0.00 0.06 0.00 0.00 34.95 35.25 1wgp s ARG 55 CO 0.70 -0.05 0.00 0.41 -2.50 0.00 0.00 175.30 173.87 1wgp n GLY 56 N 4.75 -0.70 3.21 8.12 0.00 -1.26 -2.70 105.19 116.61 1wgp n GLY 56 Ca -0.07 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.45 0.94 0.29 1.61 1.81 -1.26 -4.45 118.95 116.43 1wgp s ARG 57 Ca 0.00 -1.22 -0.19 0.00 -1.72 0.00 0.00 55.73 52.61 1wgp s ARG 57 Cb 0.00 -0.71 0.02 0.00 -0.45 0.00 0.00 34.95 33.81 1wgp s ARG 57 CO 0.00 0.12 0.68 -0.51 -0.68 0.00 0.00 175.30 174.91 1wgp s LEU 58 N -2.51 -0.11 -0.08 2.53 1.02 -1.26 -4.47 118.68 113.80 1wgp s LEU 58 Ca 0.08 -0.74 0.03 0.00 0.02 0.00 0.00 54.13 53.51 1wgp s LEU 58 Cb -0.03 2.56 0.01 0.00 0.02 0.00 0.00 46.19 48.74 1wgp s LEU 58 CO 0.01 -1.35 -0.17 -1.83 0.02 0.00 0.00 176.35 173.03 1wgp s GLU 59 N -3.73 2.27 -0.20 1.70 -1.05 -1.15 -3.04 118.70 113.49 1wgp s GLU 59 Ca 0.14 -0.60 -0.15 0.00 -0.15 0.00 0.00 54.97 54.21 1wgp s GLU 59 Cb -0.05 -1.80 -0.04 0.00 -0.44 0.00 0.00 34.13 31.80 1wgp s GLU 59 CO 0.08 0.07 0.35 0.45 0.95 0.00 0.00 175.26 177.15 1wgp s SER 60 N 0.60 6.38 0.01 0.83 0.15 0.40 -2.20 113.70 119.87 1wgp s SER 60 Ca -0.15 0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1wgp s SER 60 Cb -0.16 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 1wgp s SER 60 CO 0.05 -0.03 -0.09 -0.69 1.20 0.00 0.00 173.24 173.67 1wgp s VAL 61 N 1.19 0.71 -0.03 4.45 1.01 0.40 0.16 120.40 128.28 1wgp s VAL 61 Ca 0.17 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1wgp s VAL 61 Cb -0.14 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1wgp s VAL 61 CO 0.07 0.01 0.39 0.28 0.00 0.00 0.00 175.10 175.85 1wgp s THR 62 N -0.59 0.04 -0.35 3.92 -1.32 -1.10 0.10 115.64 116.35 1wgp s THR 62 Ca -0.00 -0.34 0.04 0.00 -1.21 0.00 0.00 61.69 60.17 1wgp s THR 62 Cb -0.06 -0.69 0.16 0.00 -1.51 0.00 0.00 72.50 70.41 1wgp s THR 62 CO 0.00 -0.19 0.44 0.42 -2.21 0.00 0.00 174.62 173.09 1wgp s THR 63 N -1.17 -0.58 0.33 5.08 -4.23 -1.26 -3.15 115.64 110.66 1wgp s THR 63 Ca -0.12 -0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 59.59 1wgp s THR 63 Cb -0.04 -0.66 -0.09 0.00 1.34 0.00 0.00 72.50 73.05 1wgp s THR 63 CO 0.05 -0.35 1.10 -1.81 -0.54 0.00 0.00 174.62 173.07 1wgp s ASP 64 N 1.94 7.03 0.82 3.99 1.01 -1.26 -5.03 116.67 125.17 1wgp s ASP 64 Ca 0.14 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1wgp s ASP 64 Cb -0.12 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1wgp s ASP 64 CO -0.14 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.54 1wgp n GLY 65 N 0.89 -3.51 0.67 0.21 0.00 -1.26 -4.42 105.19 97.77 1wgp n GLY 65 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 0.34 1.95 2.49 -0.02 0.00 -1.26 -4.72 105.19 103.97 1wgp n GLY 66 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1wgp n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wgp s ARG 67 N 0.00 0.88 0.35 1.61 3.52 -1.26 -5.12 118.95 118.94 1wgp s ARG 67 Ca 0.00 -1.84 -0.28 0.00 -0.13 0.00 0.00 55.73 53.48 1wgp s ARG 67 Cb 0.00 -1.58 -0.12 0.00 -1.56 0.00 0.00 34.95 31.69 1wgp s ARG 67 CO 0.00 -1.28 1.45 0.45 -0.81 0.00 0.00 175.30 175.11 1wgp n SER 68 N 3.38 3.51 0.00 -2.12 2.88 -1.26 -4.92 113.62 115.09 1wgp n SER 68 Ca 0.19 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 1wgp n SER 68 Cb 0.41 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1wgp n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgp n GLY 69 N 0.87 4.43 2.85 0.46 0.00 -1.26 -5.12 105.19 107.43 1wgp n GLY 69 Ca 0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.69 -2.17 -2.90 1.61 3.72 -1.26 -4.91 117.46 109.87 1wgp n PHE 70 Ca 0.00 1.26 -0.40 0.00 -0.05 0.00 0.00 57.45 58.26 1wgp n PHE 70 Cb 0.00 -2.41 -0.06 0.00 -0.94 0.00 0.00 39.48 36.07 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 -0.34 3.93 -0.59 1.38 1.51 -1.26 -5.01 117.35 116.97 1wgp s TYR 71 Ca -0.14 1.73 -0.20 0.00 -1.01 0.00 0.00 57.07 57.45 1wgp s TYR 71 Cb 0.01 -2.85 0.09 0.00 -0.11 0.00 0.00 41.96 39.10 1wgp s TYR 71 CO 0.38 0.48 0.74 1.21 -1.11 0.00 0.00 175.55 177.25 1wgp s ASN 72 N -1.08 6.19 0.19 2.29 3.84 -1.19 -5.01 114.94 120.17 1wgp s ASN 72 Ca 0.38 -1.25 -0.03 0.00 0.21 0.00 0.00 52.86 52.17 1wgp s ASN 72 Cb -0.24 -2.32 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 1wgp s ASN 72 CO 0.28 -1.13 0.40 -0.13 -2.79 0.00 0.00 177.10 173.73 1wgp s ARG 73 N 2.92 3.57 0.30 0.43 0.52 -1.26 -2.70 118.95 122.73 1wgp s ARG 73 Ca 0.14 -0.21 -0.16 0.00 -0.52 0.00 0.00 55.73 54.98 1wgp s ARG 73 Cb -0.22 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.45 1wgp s ARG 73 CO 0.08 0.41 0.66 -1.12 0.02 0.00 0.00 175.30 175.35 1wgp s SER 74 N -2.88 -0.05 0.15 0.23 0.01 0.42 -4.96 113.70 106.63 1wgp s SER 74 Ca 0.40 -0.89 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1wgp s SER 74 Cb -0.11 0.72 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 1wgp s SER 74 CO 0.27 -1.38 -0.13 -0.22 0.41 0.00 0.00 173.24 172.20 1wgp s LEU 75 N -3.01 2.48 0.31 2.44 2.96 -1.26 0.15 118.68 122.76 1wgp s LEU 75 Ca 0.17 -0.93 0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1wgp s LEU 75 Cb -0.04 -0.52 -0.06 0.00 0.50 0.00 0.00 46.19 46.07 1wgp s LEU 75 CO 0.10 -0.21 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.10 1wgp s LEU 76 N -2.89 2.58 0.00 -0.68 1.43 -1.17 -4.81 118.68 113.13 1wgp s LEU 76 Ca 0.15 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1wgp s LEU 76 Cb -0.02 -0.77 -0.00 0.00 0.03 0.00 0.00 46.19 45.43 1wgp s LEU 76 CO 0.03 -0.31 0.02 2.29 0.23 0.00 0.00 176.35 178.60 1wgp n LYS 77 N -0.69 1.35 -2.40 1.70 2.85 -1.26 -4.37 118.16 115.33 1wgp n LYS 77 Ca -0.05 -0.97 -0.43 0.00 -1.05 0.00 0.00 58.31 55.81 1wgp n LYS 77 Cb 0.64 0.36 -0.02 0.00 -0.65 0.00 0.00 35.03 35.36 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 -2.46 4.10 0.00 -1.58 -1.05 -1.26 -2.91 118.70 113.53 1wgp s GLU 78 Ca 0.02 1.52 0.00 0.00 -0.15 0.00 0.00 54.97 56.36 1wgp s GLU 78 Cb 0.00 -3.82 0.00 0.00 -0.44 0.00 0.00 34.13 29.87 1wgp s GLU 78 CO 0.02 -0.89 0.00 0.41 0.95 0.00 0.00 175.26 175.75 1wgp n GLY 79 N 3.92 1.75 3.75 -3.83 0.00 -1.26 -4.98 105.19 104.54 1wgp n GLY 79 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.30 7.22 0.41 1.61 1.11 -1.15 -4.91 116.67 119.66 1wgp s ASP 80 Ca 0.00 1.45 0.07 0.00 0.18 0.00 0.00 52.55 54.26 1wgp s ASP 80 Cb 0.00 -2.47 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 1wgp s ASP 80 CO 0.00 0.04 0.19 0.72 1.18 0.00 0.00 175.17 177.29 1wgp s PHE 81 N -0.15 2.61 0.25 4.23 -0.12 -1.26 -4.26 117.98 119.27 1wgp s PHE 81 Ca 0.38 -0.59 0.05 0.00 -0.05 0.00 0.00 56.93 56.73 1wgp s PHE 81 Cb -0.21 -1.97 -0.05 0.00 -0.63 0.00 0.00 43.02 40.16 1wgp s PHE 81 CO 0.23 0.17 -0.04 0.00 -0.05 0.00 0.00 175.22 175.53 1wgp n GLY 83 N -0.50 -0.21 0.21 0.00 0.00 -1.26 -4.20 105.19 99.23 1wgp n GLY 83 Ca -0.06 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.87 0.71 -1.44 1.61 2.03 -1.93 -3.08 116.42 112.45 1wgp h ASP 84 Ca -0.66 -0.43 0.47 0.00 -0.73 0.00 0.00 57.03 55.68 1wgp h ASP 84 Cb 1.40 -0.21 -0.12 0.00 -0.83 0.00 0.00 39.33 39.56 1wgp h ASP 84 CO 0.67 1.19 0.95 -0.33 -1.03 0.00 0.00 179.24 180.69 1wgp h GLU 85 N 0.44 0.04 -0.46 4.15 4.39 -1.91 1.38 114.58 122.60 1wgp h GLU 85 Ca -0.02 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.75 1wgp h GLU 85 Cb 1.26 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 1wgp h GLU 85 CO 0.13 0.03 0.08 1.25 -1.16 0.00 0.00 179.01 179.34 1wgp h LEU 86 N 0.04 -0.02 -0.29 1.33 5.85 -1.91 0.92 115.31 121.23 1wgp h LEU 86 Ca 0.86 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.73 1wgp h LEU 86 Cb 2.85 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 43.92 1wgp h LEU 86 CO -0.37 0.02 -0.33 0.25 -0.34 0.00 0.00 178.44 177.67 1wgp h LEU 87 N 0.21 -1.06 -0.64 2.25 5.85 0.17 0.14 115.31 122.24 1wgp h LEU 87 Ca 0.23 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 1wgp h LEU 87 Cb 0.30 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1wgp h LEU 87 CO -0.31 -0.34 0.19 0.74 -0.34 0.00 0.00 178.44 178.38 1wgp h THR 88 N -0.31 1.25 -0.38 1.05 2.02 -1.26 -0.93 112.91 114.35 1wgp h THR 88 Ca 0.14 -0.86 0.07 0.00 0.77 0.00 0.00 66.41 66.53 1wgp h THR 88 Cb 0.54 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 67.47 1wgp h THR 88 CO -0.46 0.33 -0.34 -0.25 0.37 0.00 0.00 175.52 175.17 1wgp h TRP 89 N 0.92 -0.96 -0.76 3.16 7.01 0.24 1.61 115.95 127.18 1wgp h TRP 89 Ca 0.20 0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1wgp h TRP 89 Cb 0.31 0.48 -0.04 0.00 -2.10 0.00 0.00 29.16 27.81 1wgp h TRP 89 CO 0.02 -0.40 0.40 0.00 -2.79 0.00 0.00 178.44 175.68 1wgp h ALA 90 N 0.67 1.28 0.00 2.65 0.00 -0.56 0.21 119.26 123.51 1wgp h ALA 90 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wgp h ALA 90 Cb 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wgp h ALA 90 CO -0.53 0.58 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1wgp n LEU 91 N -4.35 0.00 -3.73 0.00 4.32 0.12 -4.08 117.00 109.28 1wgp n LEU 91 Ca 0.08 0.24 -0.29 0.00 -0.02 0.00 0.00 56.01 56.01 1wgp n LEU 91 Cb 0.11 -0.24 -0.13 0.00 -1.62 0.00 0.00 43.42 41.54 1wgp n LEU 91 CO 0.38 -0.07 -0.23 -1.81 -1.22 0.00 0.00 177.39 174.44 1wgp s ASP 92 N -2.47 3.69 0.27 -1.43 1.11 0.51 -4.94 116.67 113.40 1wgp s ASP 92 Ca 0.23 -2.75 0.12 0.00 0.18 0.00 0.00 52.55 50.33 1wgp s ASP 92 Cb 0.15 -1.10 0.28 0.00 1.07 0.00 0.00 42.92 43.31 1wgp s ASP 92 CO 0.32 -0.25 1.55 1.55 1.18 0.00 0.00 175.17 179.52 1wgp h PRO 93 N 6.58 0.00 -0.63 8.23 0.13 -1.71 -3.06 132.00 141.55 1wgp h PRO 93 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.24 1wgp h PRO 93 Cb 0.91 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 1wgp h PRO 93 CO 0.51 0.63 0.42 0.87 -0.23 0.00 0.00 178.00 180.20 1wgp h LYS 94 N 0.00 0.43 -0.01 0.86 1.79 -1.92 -2.90 116.57 114.83 1wgp h LYS 94 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1wgp h LYS 94 Cb 1.23 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1wgp h LYS 94 CO 0.08 0.28 -0.00 0.43 -1.08 0.00 0.00 179.45 179.16 1wgp n SER 95 N -4.47 -0.01 0.00 0.86 7.64 -1.15 -4.74 113.62 111.75 1wgp n SER 95 Ca 0.11 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1wgp n SER 95 Cb 0.38 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1wgp n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgp n GLY 96 N -1.00 1.65 2.97 0.23 0.00 -1.10 -4.96 105.19 102.98 1wgp n GLY 96 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 2.91 -5.31 -3.82 1.61 7.64 -1.26 -4.86 113.62 110.53 1wgp n SER 97 Ca 0.00 0.29 -0.26 0.00 1.01 0.00 0.00 58.87 59.91 1wgp n SER 97 Cb 0.00 -0.76 0.19 0.00 -1.01 0.00 0.00 64.21 62.63 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 3.16 -2.93 -4.24 6.43 4.13 -1.26 -4.85 115.26 115.69 1wgp n ASN 98 Ca 0.00 -0.38 -0.36 0.00 1.68 0.00 0.00 54.58 55.53 1wgp n ASN 98 Cb 0.52 -0.90 0.06 0.00 -1.54 0.00 0.00 39.78 37.92 1wgp n ASN 98 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1wgp n LEU 99 N -2.46 -2.72 -4.78 3.41 4.77 -1.26 -4.94 117.00 109.01 1wgp n LEU 99 Ca 0.05 0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 56.13 1wgp n LEU 99 Cb 0.50 -0.98 0.15 0.00 -2.33 0.00 0.00 43.42 40.75 1wgp n LEU 99 CO 0.38 -4.61 0.72 -2.16 -1.33 0.00 0.00 177.39 170.39 1wgp s PRO 100 N -2.40 0.93 0.02 3.23 0.04 -1.26 -4.55 135.00 131.01 1wgp s PRO 100 Ca 0.52 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.85 1wgp s PRO 100 Cb -0.28 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1wgp s PRO 100 CO 0.71 -2.33 -0.25 0.45 0.04 0.00 0.00 177.00 175.63 1wgp s SER 101 N -4.09 2.94 0.93 6.66 0.15 -1.26 0.19 113.70 119.21 1wgp s SER 101 Ca 0.65 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 1wgp s SER 101 Cb -0.13 -0.29 0.15 0.00 -1.71 0.00 0.00 66.02 64.04 1wgp s SER 101 CO 0.53 0.26 1.12 -0.55 1.20 0.00 0.00 173.24 175.80 1wgp s SER 102 N -0.98 2.90 0.00 5.45 0.15 -1.22 -4.91 113.70 115.10 1wgp s SER 102 Ca 0.10 1.98 0.22 0.00 0.70 0.00 0.00 55.95 58.95 1wgp s SER 102 Cb -0.10 -2.49 -0.18 0.00 -1.71 0.00 0.00 66.02 61.54 1wgp s SER 102 CO 0.01 -3.08 0.83 0.35 1.20 0.00 0.00 173.24 172.56 1wgp n THR 103 N -4.20 0.03 -3.95 6.45 -2.24 -1.26 -4.49 114.28 104.61 1wgp n THR 103 Ca 0.10 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 1wgp n THR 103 Cb 0.53 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 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 -3.18 1.66 -0.39 -0.78 3.03 -1.26 -4.98 118.95 113.04 1wgp s ARG 104 Ca 0.03 -1.18 -0.06 0.00 2.03 0.00 0.00 55.73 56.55 1wgp s ARG 104 Cb 0.15 0.52 0.08 0.00 -1.03 0.00 0.00 34.95 34.68 1wgp s ARG 104 CO 0.86 -0.72 0.20 0.99 -1.13 0.00 0.00 175.30 175.50 1wgp s THR 105 N -3.90 3.73 0.12 4.99 2.01 0.29 -4.05 115.64 118.82 1wgp s THR 105 Ca 0.19 -1.59 0.02 0.00 0.31 0.00 0.00 61.69 60.62 1wgp s THR 105 Cb -0.03 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1wgp s THR 105 CO 0.09 -0.49 0.24 -0.69 -0.69 0.00 0.00 174.62 173.07 1wgp s VAL 106 N 1.31 5.22 0.23 3.82 1.01 -1.18 -0.45 120.40 130.36 1wgp s VAL 106 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1wgp s VAL 106 Cb -0.22 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1wgp s VAL 106 CO -0.00 -0.01 0.11 -0.75 0.00 0.00 0.00 175.10 174.45 1wgp s LYS 107 N -2.96 1.30 -0.31 2.72 2.20 -0.94 -3.44 119.74 118.31 1wgp s LYS 107 Ca 0.34 -1.69 -0.06 0.00 -0.36 0.00 0.00 55.97 54.20 1wgp s LYS 107 Cb -0.12 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.24 1wgp s LYS 107 CO 0.28 -0.34 0.08 0.00 -0.36 0.00 0.00 175.35 175.00 1wgp s ALA 108 N -3.96 3.03 -0.13 3.13 0.00 -0.40 -2.94 121.76 120.50 1wgp s ALA 108 Ca 0.38 -1.58 0.18 0.00 0.00 0.00 0.00 51.96 50.94 1wgp s ALA 108 Cb 0.07 -2.17 -0.23 0.00 0.00 0.00 0.00 23.12 20.80 1wgp s ALA 108 CO 0.13 -1.09 0.43 1.28 0.00 0.00 0.00 175.76 176.51 1wgp n LEU 109 N 4.83 0.37 -4.25 0.00 4.32 -1.26 -2.45 117.00 118.56 1wgp n LEU 109 Ca -0.14 0.17 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 1wgp n LEU 109 Cb 0.46 0.25 -0.10 0.00 -1.62 0.00 0.00 43.42 42.41 1wgp n LEU 109 CO 0.31 0.30 -0.26 0.28 -1.22 0.00 0.00 177.39 176.81 1wgp s THR 110 N -2.80 0.31 0.07 -5.08 -1.32 -1.26 -4.84 115.64 100.72 1wgp s THR 110 Ca -0.07 -1.99 -0.30 0.00 -1.21 0.00 0.00 61.69 58.11 1wgp s THR 110 Cb 0.08 -2.51 -0.09 0.00 -1.51 0.00 0.00 72.50 68.47 1wgp s THR 110 CO 0.84 -0.06 1.89 -0.70 -2.21 0.00 0.00 174.62 174.38 1wgp s GLU 111 N -4.08 4.14 -0.06 7.08 2.12 -1.26 -4.77 118.70 121.87 1wgp s GLU 111 Ca 0.37 2.58 0.04 0.00 0.36 0.00 0.00 54.97 58.31 1wgp s GLU 111 Cb 0.07 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.58 1wgp s GLU 111 CO 0.12 -0.90 -0.17 0.08 -0.54 0.00 0.00 175.26 173.85 1wgp s VAL 112 N 3.63 1.45 -0.28 3.70 1.01 -1.10 -4.59 120.40 124.21 1wgp s VAL 112 Ca 0.84 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1wgp s VAL 112 Cb -0.44 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1wgp s VAL 112 CO 0.38 0.42 0.15 -0.70 0.00 0.00 0.00 175.10 175.35 1wgp s GLU 113 N 0.31 3.66 0.34 2.72 2.12 -1.10 -2.36 118.70 124.39 1wgp s GLU 113 Ca -0.10 -0.50 -0.18 0.00 0.36 0.00 0.00 54.97 54.55 1wgp s GLU 113 Cb -0.14 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.75 1wgp s GLU 113 CO 0.04 -0.27 0.76 0.00 -0.54 0.00 0.00 175.26 175.26 1wgp s ALA 114 N 1.67 -0.94 0.35 6.30 0.00 -1.25 -2.78 121.76 125.11 1wgp s ALA 114 Ca 0.06 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.54 1wgp s ALA 114 Cb -0.16 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 1wgp s ALA 114 CO 0.07 -1.01 -0.01 -0.06 0.00 0.00 0.00 175.76 174.76 1wgp s PHE 115 N -2.96 2.51 0.40 0.00 0.08 -1.24 -3.92 117.98 112.84 1wgp s PHE 115 Ca 0.14 -0.49 0.08 0.00 0.12 0.00 0.00 56.93 56.77 1wgp s PHE 115 Cb -0.05 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1wgp s PHE 115 CO 0.10 0.48 0.44 0.00 -0.10 0.00 0.00 175.22 176.14 1wgp s ALA 116 N -2.57 4.21 -0.24 5.36 0.00 -1.15 -2.59 121.76 124.78 1wgp s ALA 116 Ca 0.35 -1.74 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 1wgp s ALA 116 Cb 0.02 -1.32 0.11 0.00 0.00 0.00 0.00 23.12 21.93 1wgp s ALA 116 CO 0.19 -0.19 0.51 -1.17 0.00 0.00 0.00 175.76 175.09 1wgp s LEU 117 N -4.19 -0.85 0.26 0.00 1.98 0.39 -3.17 118.68 113.09 1wgp s LEU 117 Ca 0.49 1.17 -0.24 0.00 -2.89 0.00 0.00 54.13 52.67 1wgp s LEU 117 Cb -0.07 1.71 -0.09 0.00 0.66 0.00 0.00 46.19 48.41 1wgp s LEU 117 CO 0.30 -0.23 0.83 -0.51 -1.89 0.00 0.00 176.35 174.85 1wgp s ILE 118 N 2.72 4.37 0.04 6.68 2.07 -1.26 0.20 121.20 136.02 1wgp s ILE 118 Ca -0.02 1.60 -0.25 0.00 -1.41 0.00 0.00 60.65 60.57 1wgp s ILE 118 Cb -0.12 -3.98 -0.17 0.00 0.13 0.00 0.00 42.46 38.31 1wgp s ILE 118 CO -0.15 0.24 1.50 0.00 -1.91 0.00 0.00 174.94 174.62 1wgp h ALA 119 N 3.48 -0.05 -0.35 1.50 0.00 -1.87 -1.88 119.26 120.09 1wgp h ALA 119 Ca -0.47 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1wgp h ALA 119 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wgp h ALA 119 CO 0.65 -0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 1wgp n ASP 120 N -5.00 0.00 -0.27 0.00 8.00 -1.26 0.18 116.55 118.20 1wgp n ASP 120 Ca -0.08 0.94 0.08 0.00 0.71 0.00 0.00 54.79 56.44 1wgp n ASP 120 Cb 0.15 -0.44 0.20 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.15 0.02 -1.24 4.39 -1.98 0.63 114.58 116.54 1wgp h GLU 121 Ca 0.00 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1wgp h GLU 121 Cb 0.00 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1wgp h GLU 121 CO 0.00 0.10 -0.22 1.25 -1.16 0.00 0.00 179.01 178.98 1wgp h LEU 122 N 0.15 -0.63 0.02 1.33 6.46 0.19 0.12 115.31 122.95 1wgp h LEU 122 Ca 0.46 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.32 1wgp h LEU 122 Cb 0.85 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 1wgp h LEU 122 CO -0.65 -0.29 -0.10 0.50 -0.62 0.00 0.00 178.44 177.28 1wgp h LYS 123 N -0.35 -0.18 -0.26 1.25 3.64 0.49 0.74 116.57 121.91 1wgp h LYS 123 Ca 0.06 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1wgp h LYS 123 Cb 0.42 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1wgp h LYS 123 CO -0.19 -0.12 -0.54 0.35 -2.27 0.00 0.00 179.45 176.69 1wgp h PHE 124 N -0.18 -1.63 -0.15 1.91 3.04 0.62 1.61 116.94 122.16 1wgp h PHE 124 Ca 0.03 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1wgp h PHE 124 Cb 0.22 0.74 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1wgp h PHE 124 CO -0.15 -0.51 -0.06 -0.24 -2.02 0.00 0.00 178.31 175.33 1wgp h VAL 125 N -0.49 1.13 0.03 1.41 3.04 -0.60 0.62 116.25 121.40 1wgp h VAL 125 Ca 0.05 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1wgp h VAL 125 Cb 0.63 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1wgp h VAL 125 CO -0.50 0.18 -0.01 0.00 -1.01 0.00 0.00 177.57 176.22 1wgp h ALA 126 N 1.74 -0.04 0.27 3.17 0.00 0.35 -2.21 119.26 122.54 1wgp h ALA 126 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wgp h ALA 126 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wgp h ALA 126 CO 0.01 -0.41 -0.13 1.03 0.00 0.00 0.00 179.25 179.75 1wgp h SER 127 N -0.27 -0.31 -0.94 0.00 0.87 0.27 0.39 113.55 113.57 1wgp h SER 127 Ca -0.00 -0.22 0.24 0.00 -1.23 0.00 0.00 61.79 60.57 1wgp h SER 127 Cb 0.25 0.08 -0.18 0.00 -0.44 0.00 0.00 62.40 62.11 1wgp h SER 127 CO 0.01 0.12 -0.05 0.00 -0.53 0.00 0.00 176.83 176.37 1wgp n GLN 128 N -5.07 -0.08 0.07 2.24 1.13 0.21 -0.87 117.38 115.02 1wgp n GLN 128 Ca -0.09 1.42 -0.08 0.00 -1.94 0.00 0.00 57.00 56.31 1wgp n GLN 128 Cb 0.26 -2.21 -0.06 0.00 0.11 0.00 0.00 30.24 28.34 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 -0.25 -6.12 1.08 3.57 -1.37 -3.49 116.94 110.36 1wgp h PHE 129 Ca 0.53 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 1wgp h PHE 129 Cb 1.03 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1wgp h PHE 129 CO -0.55 0.07 -1.01 0.54 -2.23 0.00 0.00 178.31 175.14 1wgp n ARG 130 N -4.95 -1.05 -3.65 1.11 1.74 0.12 -5.02 116.66 104.97 1wgp n ARG 130 Ca -0.06 1.24 -0.08 0.00 -0.77 0.00 0.00 57.85 58.17 1wgp n ARG 130 Cb 0.22 -2.01 -0.07 0.00 -1.02 0.00 0.00 32.46 29.58 1wgp n ARG 130 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wgp s ARG 131 N -1.24 0.69 -0.15 5.56 0.52 -1.26 -5.10 118.95 117.97 1wgp s ARG 131 Ca 0.03 1.16 -0.31 0.00 -0.52 0.00 0.00 55.73 56.09 1wgp s ARG 131 Cb -0.00 0.15 0.13 0.00 0.52 0.00 0.00 34.95 35.75 1wgp s ARG 131 CO 0.22 -0.14 1.08 -1.54 0.02 0.00 0.00 175.30 174.94 1wgp s SER 132 N 1.48 -0.26 1.10 0.23 1.04 -1.26 -5.00 113.70 111.03 1wgp s SER 132 Ca -0.09 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.31 1wgp s SER 132 Cb -0.05 0.24 0.26 0.00 0.10 0.00 0.00 66.02 66.56 1wgp s SER 132 CO -0.17 -0.33 1.23 0.61 0.98 0.00 0.00 173.24 175.56 1wgp n GLY 133 N 0.25 -2.03 3.57 7.32 0.00 -1.26 -4.90 105.19 108.15 1wgp n GLY 133 Ca -0.05 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 -5.73 3.20 0.36 1.61 0.04 -1.26 -3.96 135.00 129.26 1wgp s PRO 134 Ca 0.74 -1.29 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1wgp s PRO 134 Cb -0.04 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1wgp s PRO 134 CO 0.53 -2.99 0.00 0.45 0.04 0.00 0.00 177.00 175.03 1wgp n SER 135 N 11.35 -2.52 0.14 6.66 2.88 -1.26 -4.98 113.62 125.88 1wgp n SER 135 Ca 0.43 0.67 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 1wgp n SER 135 Cb 0.47 2.45 -0.04 0.00 -0.75 0.00 0.00 64.21 66.35 1wgp n SER 135 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wgp h SER 136 N 0.00 -0.36 0.00 -3.46 0.87 -1.96 -3.55 113.55 105.09 1wgp h SER 136 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1wgp h SER 136 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1wgp h SER 136 CO 0.00 0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.01