#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg4 n SER 2 N 0.00 0.00 -2.83 1.61 2.88 -1.26 -4.80 113.62 109.21 1wg4 n SER 2 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1wg4 n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wg4 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wg4 n SER 3 N 2.20 -4.66 0.00 -3.46 3.41 -1.26 -4.97 113.62 104.89 1wg4 n SER 3 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1wg4 n SER 3 Cb 0.00 -3.81 0.00 0.00 -0.26 0.00 0.00 64.21 60.14 1wg4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg4 n GLY 4 N 1.68 0.36 3.39 5.00 0.00 -1.26 -5.18 105.19 109.18 1wg4 n GLY 4 Ca -0.17 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1wg4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 5 N 0.00 -0.50 0.97 1.61 0.01 -1.26 -5.15 113.70 109.37 1wg4 s SER 5 Ca 0.00 0.92 -0.14 0.00 1.31 0.00 0.00 55.95 58.05 1wg4 s SER 5 Cb 0.00 0.94 0.01 0.00 0.21 0.00 0.00 66.02 67.18 1wg4 s SER 5 CO 0.00 -0.22 0.17 -0.24 0.41 0.00 0.00 173.24 173.37 1wg4 n SER 6 N 2.60 -2.77 -3.13 2.44 2.88 -1.26 -4.97 113.62 109.42 1wg4 n SER 6 Ca -0.14 0.28 -0.19 0.00 -1.33 0.00 0.00 58.87 57.49 1wg4 n SER 6 Cb 0.57 -1.12 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 1wg4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 7 N 1.86 3.78 0.00 0.46 0.00 -1.26 -5.02 105.19 105.02 1wg4 n GLY 7 Ca 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1wg4 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg4 n GLY 8 N 0.19 -2.10 3.78 -0.02 0.00 -1.26 -4.72 105.19 101.05 1wg4 n GLY 8 Ca 0.25 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 1wg4 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg4 s PRO 9 N -0.51 0.62 0.86 1.61 0.04 -1.26 -5.05 135.00 131.31 1wg4 s PRO 9 Ca 0.00 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.01 1wg4 s PRO 9 Cb 0.00 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.85 1wg4 s PRO 9 CO 0.00 -2.51 1.12 -1.25 0.04 0.00 0.00 177.00 174.40 1wg4 s PRO 10 N -5.43 1.56 -0.24 0.56 0.04 -1.26 -4.69 135.00 125.54 1wg4 s PRO 10 Ca 0.67 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 1wg4 s PRO 10 Cb -0.12 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1wg4 s PRO 10 CO 0.54 -1.94 0.11 2.41 0.04 0.00 0.00 177.00 178.16 1wg4 n THR 11 N -3.62-12.02 -3.51 1.26 -1.04 -1.26 -5.01 114.28 89.08 1wg4 n THR 11 Ca 0.07 2.22 -0.28 0.00 -2.04 0.00 0.00 64.05 64.02 1wg4 n THR 11 Cb 0.58 -6.59 -0.11 0.00 -1.82 0.00 0.00 70.33 62.38 1wg4 n THR 11 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1wg4 s ARG 12 N -1.16 1.00 0.41 -2.82 1.81 -1.26 -5.11 118.95 111.83 1wg4 s ARG 12 Ca -0.13 -1.98 0.04 0.00 -1.72 0.00 0.00 55.73 51.94 1wg4 s ARG 12 Cb 0.01 -1.71 -0.01 0.00 -0.45 0.00 0.00 34.95 32.78 1wg4 s ARG 12 CO 0.76 -1.29 0.13 2.89 -0.68 0.00 0.00 175.30 177.11 1wg4 n ARG 13 N 3.23 0.60 -1.30 3.54 0.00 -1.26 -5.12 116.66 116.35 1wg4 n ARG 13 Ca 0.20 -3.44 -0.38 0.00 -0.00 0.00 0.00 57.85 54.23 1wg4 n ARG 13 Cb 0.41 1.78 0.02 0.00 -0.00 0.00 0.00 32.46 34.68 1wg4 n ARG 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wg4 n SER 14 N -1.51 -2.80 -3.34 2.89 7.64 -1.26 -4.87 113.62 110.36 1wg4 n SER 14 Ca -0.07 0.65 -0.35 0.00 1.01 0.00 0.00 58.87 60.11 1wg4 n SER 14 Cb 0.61 -0.97 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 1wg4 n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wg4 n ASP 15 N 1.74 6.10 -3.54 6.43 5.75 -1.26 -4.92 116.55 126.83 1wg4 n ASP 15 Ca 0.09 -3.68 -0.21 0.00 -0.01 0.00 0.00 54.79 50.98 1wg4 n ASP 15 Cb 0.48 -0.91 -0.14 0.00 -1.03 0.00 0.00 41.12 39.52 1wg4 n ASP 15 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1wg4 s PHE 16 N -3.94 -0.12 0.31 2.11 0.08 -1.26 -5.06 117.98 110.11 1wg4 s PHE 16 Ca 0.43 0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.61 1wg4 s PHE 16 Cb 0.23 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 42.18 1wg4 s PHE 16 CO -0.13 -0.55 0.25 -0.98 -0.10 0.00 0.00 175.22 173.71 1wg4 s ARG 17 N 2.26 1.68 -0.02 0.44 1.70 -1.26 -0.17 118.95 123.57 1wg4 s ARG 17 Ca 0.05 -1.96 0.01 0.00 -0.47 0.00 0.00 55.73 53.35 1wg4 s ARG 17 Cb -0.16 0.30 0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1wg4 s ARG 17 CO -0.11 -0.61 -0.02 0.14 -1.08 0.00 0.00 175.30 173.63 1wg4 s VAL 18 N -3.55 0.28 -0.28 4.99 -7.23 0.60 -4.61 120.40 110.60 1wg4 s VAL 18 Ca 0.40 -0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.37 1wg4 s VAL 18 Cb 0.03 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.63 1wg4 s VAL 18 CO 0.25 0.14 0.51 -0.76 -0.31 0.00 0.00 175.10 174.93 1wg4 s LEU 19 N 0.68 4.11 -0.13 1.32 2.01 0.23 -2.32 118.68 124.58 1wg4 s LEU 19 Ca -0.07 0.39 -0.09 0.00 0.01 0.00 0.00 54.13 54.36 1wg4 s LEU 19 Cb -0.10 -2.63 -0.04 0.00 0.01 0.00 0.00 46.19 43.42 1wg4 s LEU 19 CO -0.01 -0.33 0.17 -0.69 1.01 0.00 0.00 176.35 176.51 1wg4 s VAL 20 N 2.32 5.43 -0.09 -1.59 1.01 -0.13 -2.73 120.40 124.62 1wg4 s VAL 20 Ca 0.20 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1wg4 s VAL 20 Cb -0.16 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1wg4 s VAL 20 CO 0.10 0.55 0.22 -0.44 0.00 0.00 0.00 175.10 175.53 1wg4 s SER 21 N -0.54 -0.22 0.00 3.32 0.01 -1.16 0.18 113.70 115.30 1wg4 s SER 21 Ca 0.14 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1wg4 s SER 21 Cb -0.12 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1wg4 s SER 21 CO 0.03 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wg4 n GLY 22 N 3.49 1.18 3.91 3.44 0.00 0.51 -1.08 105.19 116.65 1wg4 n GLY 22 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1wg4 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg4 s LEU 23 N 0.00 3.64 0.99 0.99 1.43 0.27 -3.60 118.68 122.40 1wg4 s LEU 23 Ca 0.00 0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1wg4 s LEU 23 Cb 0.00 -3.79 0.19 0.00 0.03 0.00 0.00 46.19 42.62 1wg4 s LEU 23 CO 0.00 -0.59 1.18 -2.16 0.23 0.00 0.00 176.35 175.01 1wg4 s PRO 24 N -4.71 0.48 0.45 1.29 0.04 -1.26 -4.35 135.00 126.92 1wg4 s PRO 24 Ca 0.47 0.04 0.25 0.00 0.04 0.00 0.00 61.00 61.80 1wg4 s PRO 24 Cb -0.10 -1.78 0.74 0.00 0.04 0.00 0.00 34.50 33.39 1wg4 s PRO 24 CO 0.44 -2.60 1.75 -1.00 0.04 0.00 0.00 177.00 175.63 1wg4 h PRO 25 N -1.78 0.00 0.00 0.56 0.13 -1.98 -3.10 132.00 125.82 1wg4 h PRO 25 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wg4 h PRO 25 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wg4 h PRO 25 CO 0.50 0.14 -0.91 0.43 -0.23 0.00 0.00 178.00 177.93 1wg4 n SER 26 N -3.20 1.07 -4.00 1.44 7.64 -1.26 -5.03 113.62 110.27 1wg4 n SER 26 Ca 0.02 -0.54 -0.37 0.00 1.01 0.00 0.00 58.87 59.00 1wg4 n SER 26 Cb 0.47 1.19 0.04 0.00 -1.01 0.00 0.00 64.21 64.90 1wg4 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg4 n GLY 27 N 1.45 -4.35 3.35 0.23 0.00 -1.17 -4.94 105.19 99.76 1wg4 n GLY 27 Ca 0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1wg4 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg4 s SER 28 N -1.01 1.87 -0.17 1.61 1.04 -1.26 -4.93 113.70 110.86 1wg4 s SER 28 Ca 0.39 -1.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.07 1wg4 s SER 28 Cb -0.13 0.52 -0.23 0.00 0.10 0.00 0.00 66.02 66.28 1wg4 s SER 28 CO 0.80 -1.00 0.19 -2.67 0.98 0.00 0.00 173.24 171.54 1wg4 n TRP 29 N -0.68 0.90 0.11 5.02 4.27 -1.26 -3.31 117.44 122.49 1wg4 n TRP 29 Ca 0.03 0.21 -0.14 0.00 -3.89 0.00 0.00 57.50 53.70 1wg4 n TRP 29 Cb 0.64 -1.11 -0.08 0.00 -1.36 0.00 0.00 31.31 29.39 1wg4 n TRP 29 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1wg4 h GLN 30 N -0.05 -0.63 -1.01 -2.67 1.08 -1.97 0.91 115.11 110.77 1wg4 h GLN 30 Ca -0.47 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 56.83 1wg4 h GLN 30 Cb 1.94 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 29.45 1wg4 h GLN 30 CO 0.01 -0.42 0.66 0.22 -0.95 0.00 0.00 178.83 178.34 1wg4 h ASP 31 N -0.66 1.08 -0.08 1.46 1.82 -1.98 -1.43 116.42 116.63 1wg4 h ASP 31 Ca -0.01 -0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1wg4 h ASP 31 Cb 0.65 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1wg4 h ASP 31 CO -0.23 0.71 -0.09 0.25 -1.61 0.00 0.00 179.24 178.28 1wg4 h LEU 32 N 1.23 -0.27 0.07 2.28 6.46 -1.26 -2.27 115.31 121.54 1wg4 h LEU 32 Ca 0.42 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 58.26 1wg4 h LEU 32 Cb 0.08 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 1wg4 h LEU 32 CO -0.15 -0.12 -0.36 0.50 -0.62 0.00 0.00 178.44 177.69 1wg4 h LYS 33 N -0.12 -0.53 -0.86 1.25 3.64 0.17 0.64 116.57 120.75 1wg4 h LYS 33 Ca 0.06 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 59.73 1wg4 h LYS 33 Cb 0.20 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1wg4 h LYS 33 CO -0.15 -0.36 0.93 0.22 -2.27 0.00 0.00 179.45 177.83 1wg4 h ASP 34 N -0.55 0.00 0.00 4.20 3.58 -0.91 1.55 116.42 124.29 1wg4 h ASP 34 Ca 0.04 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 1wg4 h ASP 34 Cb 0.61 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1wg4 h ASP 34 CO -0.24 0.00 -0.87 -0.74 -2.88 0.00 0.00 179.24 174.50 1wg4 h HIS 35 N 0.00 0.00 -0.97 0.28 2.76 0.27 -3.38 115.15 114.11 1wg4 h HIS 35 Ca 0.41 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.62 1wg4 h HIS 35 Cb 2.27 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 31.17 1wg4 h HIS 35 CO 0.00 1.07 0.64 0.52 -1.30 0.00 0.00 177.93 178.86 1wg4 h MET 36 N -1.00 1.18 -1.08 5.26 2.86 0.42 -1.42 114.93 121.16 1wg4 h MET 36 Ca -0.22 -0.07 0.31 0.00 -2.06 0.00 0.00 59.70 57.67 1wg4 h MET 36 Cb 1.05 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 1wg4 h MET 36 CO -0.13 0.78 1.14 0.00 1.06 0.00 0.00 176.91 179.76 1wg4 h ARG 37 N 1.22 0.00 -0.58 1.72 3.08 0.18 -1.02 114.38 118.98 1wg4 h ARG 37 Ca 0.39 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.68 1wg4 h ARG 37 Cb 0.02 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.96 1wg4 h ARG 37 CO -0.12 0.00 0.29 0.39 -1.07 0.00 0.00 179.97 179.46 1wg4 n GLU 38 N -3.42 -0.04 0.00 0.04 4.71 -0.53 -0.91 120.64 120.49 1wg4 n GLU 38 Ca 0.24 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.20 1wg4 n GLU 38 Cb 1.47 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 30.46 1wg4 n GLU 38 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wg4 n ALA 39 N -2.63 0.00 -2.68 0.62 0.00 -0.39 -4.95 120.51 110.48 1wg4 n ALA 39 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1wg4 n ALA 39 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1wg4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wg4 n GLY 40 N 0.49 4.40 3.78 0.00 0.00 -0.09 -4.95 105.19 108.83 1wg4 n GLY 40 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1wg4 n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wg4 s ASP 41 N 1.32 6.81 -0.28 1.61 -1.08 -1.26 -4.59 116.67 119.19 1wg4 s ASP 41 Ca 0.00 0.97 -0.07 0.00 -0.52 0.00 0.00 52.55 52.93 1wg4 s ASP 41 Cb 0.00 -2.29 -0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1wg4 s ASP 41 CO 0.00 0.18 0.07 -0.69 0.52 0.00 0.00 175.17 175.25 1wg4 s VAL 42 N -0.38 4.02 -0.12 1.11 1.01 -1.26 -3.89 120.40 120.88 1wg4 s VAL 42 Ca 0.26 -0.56 0.16 0.00 0.00 0.00 0.00 61.98 61.84 1wg4 s VAL 42 Cb -0.17 -3.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.97 1wg4 s VAL 42 CO 0.13 0.16 0.43 0.00 0.00 0.00 0.00 175.10 175.83 1wg4 s TYR 44 N -2.64 2.66 -0.17 0.00 6.14 -1.25 -4.99 117.35 117.09 1wg4 s TYR 44 Ca -0.07 -0.93 -0.04 0.00 0.64 0.00 0.00 57.07 56.67 1wg4 s TYR 44 Cb 0.08 -1.77 0.08 0.00 0.42 0.00 0.00 41.96 40.77 1wg4 s TYR 44 CO 0.83 -0.36 0.26 0.00 0.64 0.00 0.00 175.55 176.91 1wg4 s ALA 45 N 0.39 -0.51 0.04 3.97 0.00 -1.26 -2.35 121.76 122.04 1wg4 s ALA 45 Ca -0.15 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 1wg4 s ALA 45 Cb -0.17 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 1wg4 s ALA 45 CO 0.07 -0.94 0.15 0.34 0.00 0.00 0.00 175.76 175.38 1wg4 s ASP 46 N 2.40 0.10 -0.01 0.00 2.15 -0.67 -4.96 116.67 115.68 1wg4 s ASP 46 Ca 0.05 -0.46 0.01 0.00 0.43 0.00 0.00 52.55 52.59 1wg4 s ASP 46 Cb -0.14 0.27 -0.00 0.00 -0.30 0.00 0.00 42.92 42.75 1wg4 s ASP 46 CO -0.11 -0.55 -0.04 0.54 -0.17 0.00 0.00 175.17 174.84 1wg4 s VAL 47 N -2.68 0.31 0.41 1.11 0.11 -1.26 -1.19 120.40 117.21 1wg4 s VAL 47 Ca -0.04 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1wg4 s VAL 47 Cb -0.01 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1wg4 s VAL 47 CO -0.05 0.10 0.28 -1.10 -3.33 0.00 0.00 175.10 171.00 1wg4 s GLN 48 N 0.00 2.38 1.15 1.54 -0.21 -0.67 -4.98 119.66 118.88 1wg4 s GLN 48 Ca 0.00 -1.69 -0.17 0.00 0.02 0.00 0.00 55.36 53.53 1wg4 s GLN 48 Cb -0.03 -2.18 0.26 0.00 1.00 0.00 0.00 33.01 32.06 1wg4 s GLN 48 CO -0.00 -0.15 1.09 0.21 -2.12 0.00 0.00 175.29 174.31 1wg4 s LYS 49 N -4.02 -0.78 0.00 2.91 2.20 -1.26 -3.27 119.74 115.52 1wg4 s LYS 49 Ca 0.45 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1wg4 s LYS 49 Cb 0.00 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1wg4 s LYS 49 CO 0.25 -3.46 0.00 -3.47 -0.36 0.00 0.00 175.35 168.31 1wg4 n ASP 50 N -4.63 0.00 0.00 1.43 2.03 -1.26 -3.37 116.55 110.75 1wg4 n ASP 50 Ca 0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1wg4 n ASP 50 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1wg4 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg4 n GLY 51 N 0.00 0.00 3.71 0.27 0.00 -1.25 -4.70 105.19 103.23 1wg4 n GLY 51 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1wg4 n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg4 s MET 52 N 0.00 2.38 0.18 1.61 -1.94 -1.20 0.19 119.30 120.52 1wg4 s MET 52 Ca 0.00 -1.49 -0.14 0.00 -1.71 0.00 0.00 55.69 52.35 1wg4 s MET 52 Cb 0.00 -2.19 0.01 0.00 2.01 0.00 0.00 34.83 34.67 1wg4 s MET 52 CO 0.00 0.19 0.43 0.20 -0.01 0.00 0.00 175.02 175.83 1wg4 s GLY 53 N -3.80 0.12 -0.20 -0.03 0.00 0.48 -1.66 107.32 102.22 1wg4 s GLY 53 Ca 0.36 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.53 1wg4 s GLY 53 CO 0.22 -0.48 0.44 -0.29 0.00 0.00 0.00 173.10 172.99 1wg4 s MET 54 N -3.91 0.37 -0.01 2.90 1.75 -0.33 -0.95 119.30 119.12 1wg4 s MET 54 Ca 0.12 1.00 0.02 0.00 -1.25 0.00 0.00 55.69 55.58 1wg4 s MET 54 Cb 0.01 0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.93 1wg4 s MET 54 CO -0.02 -0.22 -0.07 0.14 -0.65 0.00 0.00 175.02 174.20 1wg4 s VAL 55 N 2.26 0.57 -0.02 10.11 -7.23 -0.98 -1.67 120.40 123.44 1wg4 s VAL 55 Ca -0.04 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 59.86 1wg4 s VAL 55 Cb -0.11 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 1wg4 s VAL 55 CO -0.13 0.17 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.10 1wg4 s GLU 56 N -0.12 2.48 -0.03 4.82 2.02 -0.99 -0.29 118.70 126.59 1wg4 s GLU 56 Ca 0.02 -0.74 0.04 0.00 0.02 0.00 0.00 54.97 54.32 1wg4 s GLU 56 Cb -0.03 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1wg4 s GLU 56 CO -0.00 0.61 -0.15 0.71 0.02 0.00 0.00 175.26 176.45 1wg4 s TYR 57 N -0.88 2.68 -2.02 1.61 2.02 0.76 -3.23 117.35 118.29 1wg4 s TYR 57 Ca 0.14 -0.18 0.25 0.00 -0.37 0.00 0.00 57.07 56.92 1wg4 s TYR 57 Cb -0.11 -1.59 1.47 0.00 -0.40 0.00 0.00 41.96 41.33 1wg4 s TYR 57 CO 0.04 0.20 1.95 1.28 -1.57 0.00 0.00 175.55 177.46 1wg4 n LEU 58 N 2.12 0.09 -3.84 -1.29 7.99 -1.25 -4.41 117.00 116.41 1wg4 n LEU 58 Ca -0.17 -0.03 -0.16 0.00 -0.01 0.00 0.00 56.01 55.64 1wg4 n LEU 58 Cb 0.52 -0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.67 1wg4 n LEU 58 CO 0.26 0.02 -0.37 -0.13 -1.51 0.00 0.00 177.39 175.65 1wg4 s ARG 59 N -1.99 0.26 0.10 3.23 1.81 -1.26 -4.88 118.95 116.21 1wg4 s ARG 59 Ca 0.38 0.04 -0.27 0.00 -1.72 0.00 0.00 55.73 54.16 1wg4 s ARG 59 Cb 0.17 -0.40 -0.12 0.00 -0.45 0.00 0.00 34.95 34.15 1wg4 s ARG 59 CO 0.29 -0.09 1.67 -0.22 -0.68 0.00 0.00 175.30 176.27 1wg4 h LYS 60 N 6.98 -0.40 -0.47 3.54 3.64 -1.93 -2.42 116.57 125.51 1wg4 h LYS 60 Ca -0.39 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.11 1wg4 h LYS 60 Cb 1.15 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 1wg4 h LYS 60 CO 0.49 -0.27 -0.18 0.93 -2.27 0.00 0.00 179.45 178.14 1wg4 h GLU 61 N -0.42 -0.08 -0.86 1.90 5.08 -1.98 0.18 114.58 118.40 1wg4 h GLU 61 Ca -0.00 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1wg4 h GLU 61 Cb 0.39 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.52 1wg4 h GLU 61 CO -0.04 -0.05 0.25 -0.44 -1.00 0.00 0.00 179.01 177.73 1wg4 h ASP 62 N -0.08 0.05 0.45 1.42 3.32 -1.83 0.89 116.42 120.64 1wg4 h ASP 62 Ca 0.22 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 1wg4 h ASP 62 Cb 0.42 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1wg4 h ASP 62 CO -0.52 -0.11 -0.32 -0.03 -1.72 0.00 0.00 179.24 176.54 1wg4 h MET 63 N 0.25 -0.70 -0.71 3.56 4.05 -0.20 -0.39 114.93 120.79 1wg4 h MET 63 Ca 0.53 0.05 0.09 0.00 -0.28 0.00 0.00 59.70 60.09 1wg4 h MET 63 Cb 1.03 0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.92 1wg4 h MET 63 CO -0.61 -0.47 0.36 0.93 0.23 0.00 0.00 176.91 177.35 1wg4 h GLU 64 N -0.73 0.60 0.02 0.39 5.08 -0.69 0.36 114.58 119.60 1wg4 h GLU 64 Ca -0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1wg4 h GLU 64 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wg4 h GLU 64 CO 0.03 0.39 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.39 1wg4 h TYR 65 N 0.61 -0.36 -0.88 4.33 5.03 0.97 0.26 116.97 126.93 1wg4 h TYR 65 Ca 0.35 0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.75 1wg4 h TYR 65 Cb 0.36 0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.73 1wg4 h TYR 65 CO -0.10 -0.14 0.57 0.00 -1.32 0.00 0.00 178.16 177.17 1wg4 h ALA 66 N -1.30 1.61 0.02 1.82 0.00 -0.88 0.64 119.26 121.18 1wg4 h ALA 66 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wg4 h ALA 66 Cb 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1wg4 h ALA 66 CO -0.07 0.23 -0.47 -0.07 0.00 0.00 0.00 179.25 178.86 1wg4 h LEU 67 N 0.91 -1.45 0.15 0.00 3.38 0.53 0.49 115.31 119.32 1wg4 h LEU 67 Ca 0.40 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.53 1wg4 h LEU 67 Cb 0.34 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1wg4 h LEU 67 CO -0.16 -0.50 -0.07 0.03 0.09 0.00 0.00 178.44 177.83 1wg4 h ARG 68 N -0.64 -0.19 -0.65 1.13 2.47 0.18 0.64 114.38 117.32 1wg4 h ARG 68 Ca 0.03 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1wg4 h ARG 68 Cb 0.70 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.98 1wg4 h ARG 68 CO -0.32 -0.13 -0.38 1.63 0.56 0.00 0.00 179.97 181.32 1wg4 n LYS 69 N -3.20 -0.28 0.28 0.04 4.01 0.22 -1.28 118.16 117.94 1wg4 n LYS 69 Ca -0.03 1.10 -0.11 0.00 -0.51 0.00 0.00 58.31 58.76 1wg4 n LYS 69 Cb 0.08 -1.63 -0.05 0.00 -0.51 0.00 0.00 35.03 32.92 1wg4 n LYS 69 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1wg4 h LEU 70 N 0.00 -0.63 -0.55 -0.35 3.38 -0.15 -3.46 115.31 113.55 1wg4 h LEU 70 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wg4 h LEU 70 Cb 0.26 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wg4 h LEU 70 CO -0.61 -0.35 0.00 -0.67 0.09 0.00 0.00 178.44 176.90 1wg4 n ASP 71 N -4.58 0.00 -1.44 -0.43 -0.08 0.22 -3.54 116.55 106.69 1wg4 n ASP 71 Ca -0.09 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1wg4 n ASP 71 Cb 0.29 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.75 1wg4 n ASP 71 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wg4 n ASP 72 N 0.70 -2.34 -4.14 1.67 2.03 -1.18 -4.84 116.55 108.45 1wg4 n ASP 72 Ca 0.00 0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.43 1wg4 n ASP 72 Cb 0.00 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 38.71 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1wg4 s THR 73 N -0.09 0.08 -0.62 5.18 -4.23 -0.27 -4.95 115.64 110.74 1wg4 s THR 73 Ca -0.02 -1.87 -0.20 0.00 -1.18 0.00 0.00 61.69 58.42 1wg4 s THR 73 Cb 0.00 -2.10 0.10 0.00 1.34 0.00 0.00 72.50 71.84 1wg4 s THR 73 CO 0.06 -0.37 0.78 -0.75 -0.54 0.00 0.00 174.62 173.80 1wg4 s LYS 74 N -4.06 3.09 -0.39 3.99 2.20 -1.26 -1.59 119.74 121.72 1wg4 s LYS 74 Ca 0.26 -1.25 -0.21 0.00 -0.36 0.00 0.00 55.97 54.41 1wg4 s LYS 74 Cb 0.07 -4.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.12 1wg4 s LYS 74 CO 0.03 -1.61 0.67 0.12 -0.36 0.00 0.00 175.35 174.20 1wg4 s PHE 75 N 2.96 3.10 -0.42 4.03 5.36 -0.56 -4.89 117.98 127.56 1wg4 s PHE 75 Ca 0.15 0.21 -0.17 0.00 -0.96 0.00 0.00 56.93 56.16 1wg4 s PHE 75 Cb -0.22 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.20 1wg4 s PHE 75 CO 0.06 -0.76 0.40 0.50 -1.46 0.00 0.00 175.22 173.96 1wg4 s ARG 76 N 2.84 3.07 1.19 10.12 3.52 -1.26 -1.72 118.95 136.72 1wg4 s ARG 76 Ca 0.25 -0.82 -0.18 0.00 -0.13 0.00 0.00 55.73 54.85 1wg4 s ARG 76 Cb -0.14 -3.97 0.28 0.00 -1.56 0.00 0.00 34.95 29.56 1wg4 s ARG 76 CO 0.17 -0.82 1.07 -1.54 -0.81 0.00 0.00 175.30 173.37 1wg4 s SER 77 N 1.77 0.93 0.11 -2.12 1.04 0.13 -4.87 113.70 110.69 1wg4 s SER 77 Ca 0.10 0.86 0.21 0.00 0.48 0.00 0.00 55.95 57.60 1wg4 s SER 77 Cb -0.18 -1.27 0.84 0.00 0.10 0.00 0.00 66.02 65.52 1wg4 s SER 77 CO 0.13 -4.14 1.64 0.00 0.98 0.00 0.00 173.24 171.85 1wg4 n HIS 78 N -4.80 0.37 1.67 5.02 1.44 -1.26 -1.73 115.22 115.93 1wg4 n HIS 78 Ca 0.10 0.14 0.14 0.00 -2.01 0.00 0.00 57.72 56.09 1wg4 n HIS 78 Cb 0.59 -0.72 0.65 0.00 0.12 0.00 0.00 29.99 30.63 1wg4 n HIS 78 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1wg4 n GLU 79 N -1.83 1.40 0.00 -1.40 4.71 -1.26 -4.88 120.64 117.38 1wg4 n GLU 79 Ca 0.04 -0.59 0.00 0.00 -0.01 0.00 0.00 57.16 56.60 1wg4 n GLU 79 Cb 0.24 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1wg4 n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wg4 n GLY 80 N 1.08 2.76 3.77 0.62 0.00 -0.71 -5.01 105.19 107.71 1wg4 n GLY 80 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1wg4 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg4 s GLU 81 N -0.33 3.88 -0.04 1.61 2.02 -1.26 -4.72 118.70 119.86 1wg4 s GLU 81 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 54.97 57.00 1wg4 s GLU 81 Cb 0.00 -2.61 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 1wg4 s GLU 81 CO 0.00 -0.51 -0.16 0.95 0.02 0.00 0.00 175.26 175.56 1wg4 s THR 82 N -1.38 1.33 0.01 3.63 -4.23 -1.26 0.19 115.64 113.93 1wg4 s THR 82 Ca 0.60 -0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1wg4 s THR 82 Cb -0.34 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 1wg4 s THR 82 CO 0.42 0.39 -0.01 -0.44 -0.54 0.00 0.00 174.62 174.44 1wg4 s SER 83 N 0.06 0.16 -0.43 3.99 0.01 -0.70 -4.95 113.70 111.84 1wg4 s SER 83 Ca -0.04 -0.33 -0.28 0.00 1.31 0.00 0.00 55.95 56.61 1wg4 s SER 83 Cb -0.11 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.22 1wg4 s SER 83 CO 0.02 -0.21 1.05 -0.31 0.41 0.00 0.00 173.24 174.20 1wg4 s TYR 84 N -1.01 2.94 -0.13 2.43 1.51 -1.24 -1.50 117.35 120.35 1wg4 s TYR 84 Ca -0.11 0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 56.67 1wg4 s TYR 84 Cb -0.07 -4.08 -0.03 0.00 -0.11 0.00 0.00 41.96 37.67 1wg4 s TYR 84 CO -0.01 -1.07 -0.03 0.96 -1.11 0.00 0.00 175.55 174.29 1wg4 s ILE 85 N 4.01 3.98 0.19 2.71 -4.36 -0.62 -4.30 121.20 122.82 1wg4 s ILE 85 Ca 0.44 -0.34 -0.02 0.00 -0.26 0.00 0.00 60.65 60.47 1wg4 s ILE 85 Cb -0.09 -2.72 -0.05 0.00 1.25 0.00 0.00 42.46 40.85 1wg4 s ILE 85 CO 0.26 0.53 0.40 -0.13 0.24 0.00 0.00 174.94 176.23 1wg4 s ARG 86 N -0.05 3.55 -0.17 0.37 1.81 -0.24 -1.11 118.95 123.12 1wg4 s ARG 86 Ca 0.02 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 1wg4 s ARG 86 Cb -0.13 -2.83 0.02 0.00 -0.45 0.00 0.00 34.95 31.57 1wg4 s ARG 86 CO 0.02 0.40 -0.16 0.08 -0.68 0.00 0.00 175.30 174.96 1wg4 s VAL 87 N -1.84 1.81 0.04 3.52 1.01 -1.26 -2.97 120.40 120.72 1wg4 s VAL 87 Ca 0.39 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1wg4 s VAL 87 Cb -0.11 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1wg4 s VAL 87 CO 0.28 0.46 0.42 -0.72 0.00 0.00 0.00 175.10 175.54 1wg4 s TYR 88 N 1.38 -0.28 1.00 5.22 1.13 -1.11 -4.53 117.35 120.17 1wg4 s TYR 88 Ca 0.04 0.26 -0.15 0.00 -1.41 0.00 0.00 57.07 55.81 1wg4 s TYR 88 Cb -0.13 0.23 0.19 0.00 -1.10 0.00 0.00 41.96 41.15 1wg4 s TYR 88 CO -0.11 -0.57 1.18 -1.25 -2.51 0.00 0.00 175.55 172.28 1wg4 s PRO 89 N -2.42 0.42 0.30 -3.49 0.04 -1.26 0.77 135.00 129.37 1wg4 s PRO 89 Ca -0.06 0.02 -0.10 0.00 0.04 0.00 0.00 61.00 60.90 1wg4 s PRO 89 Cb -0.01 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 1wg4 s PRO 89 CO -0.02 -2.63 0.64 -2.00 0.04 0.00 0.00 177.00 173.03 1wg4 s GLU 90 N -5.47 3.80 -0.20 4.56 2.12 -1.26 -4.72 118.70 117.52 1wg4 s GLU 90 Ca 0.68 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 56.35 1wg4 s GLU 90 Cb -0.11 -2.54 0.05 0.00 0.26 0.00 0.00 34.13 31.80 1wg4 s GLU 90 CO 0.54 0.17 -0.03 0.50 -0.54 0.00 0.00 175.26 175.90 1wg4 s ARG 91 N -3.27 1.34 0.10 4.30 3.52 -1.26 -4.92 118.95 118.76 1wg4 s ARG 91 Ca 0.49 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1wg4 s ARG 91 Cb -0.11 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1wg4 s ARG 91 CO 0.25 -0.55 0.00 0.43 -0.81 0.00 0.00 175.30 174.62 1wg4 n SER 92 N 4.83 -0.88 -3.08 -2.12 7.64 -1.26 -5.10 113.62 113.65 1wg4 n SER 92 Ca -0.11 0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.82 1wg4 n SER 92 Cb 0.46 1.20 0.01 0.00 -1.01 0.00 0.00 64.21 64.87 1wg4 n SER 92 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wg4 n SER 93 N -2.70 -7.27 0.00 6.43 7.64 -1.26 -5.00 113.62 111.46 1wg4 n SER 93 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1wg4 n SER 93 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1wg4 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg4 n GLY 94 N -0.69 -1.84 2.50 0.23 0.00 -1.26 -5.05 105.19 99.08 1wg4 n GLY 94 Ca 0.03 0.88 -0.30 0.00 0.00 0.00 0.00 46.02 46.63 1wg4 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg4 n PRO 95 N 0.00 2.76 -3.06 1.61 -0.04 -1.26 -4.90 135.00 130.11 1wg4 n PRO 95 Ca 0.00 -1.78 -0.39 0.00 -0.04 0.00 0.00 63.50 61.29 1wg4 n PRO 95 Cb 0.00 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.79 1wg4 n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg4 s SER 96 N 2.92 7.28 0.54 3.54 0.15 -1.26 -4.86 113.70 122.00 1wg4 s SER 96 Ca 0.52 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.71 1wg4 s SER 96 Cb 0.13 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1wg4 s SER 96 CO -0.04 0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.40 1wg4 n SER 97 N 1.51 -8.03 0.00 5.45 7.64 -1.26 -5.27 113.62 113.66 1wg4 n SER 97 Ca -0.06 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.38 1wg4 n SER 97 Cb 0.49 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1wg4 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64