#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 1.15 -4.51 1.61 2.88 -1.26 -4.95 113.62 108.53 1wg4 n SER 2 Ca 0.00 0.16 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 1wg4 n SER 2 Cb 0.00 -0.38 -0.05 0.00 -0.75 0.00 0.00 64.21 63.02 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg4 s SER 3 N -5.90 6.33 -0.30 -3.46 0.01 -1.26 -5.01 113.70 104.11 1wg4 s SER 3 Ca -0.07 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 1wg4 s SER 3 Cb 0.01 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.90 1wg4 s SER 3 CO 0.10 -1.00 0.04 -0.83 0.41 0.00 0.00 173.24 171.95 1wg4 s GLY 4 N 2.48 1.76 0.05 3.44 0.00 -1.26 -5.08 107.32 108.71 1wg4 s GLY 4 Ca 0.26 -1.62 -0.31 0.00 0.00 0.00 0.00 44.72 43.05 1wg4 s GLY 4 CO 0.19 0.67 1.25 -0.56 0.00 0.00 0.00 173.10 174.64 1wg4 s SER 5 N 1.37 7.01 0.06 1.64 0.01 -1.26 -4.94 113.70 117.59 1wg4 s SER 5 Ca -0.01 2.05 -0.30 0.00 1.31 0.00 0.00 55.95 59.00 1wg4 s SER 5 Cb -0.18 -2.58 -0.18 0.00 0.21 0.00 0.00 66.02 63.29 1wg4 s SER 5 CO 0.00 -0.53 1.57 0.28 0.41 0.00 0.00 173.24 174.97 1wg4 h SER 6 N 6.97 -0.59 -4.65 2.44 0.02 -1.98 -3.48 113.55 112.29 1wg4 h SER 6 Ca -0.40 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.40 1wg4 h SER 6 Cb 1.20 0.15 0.11 0.00 0.14 0.00 0.00 62.40 64.01 1wg4 h SER 6 CO 0.84 -0.38 -0.48 0.61 -1.14 0.00 0.00 176.83 176.28 1wg4 n GLY 7 N -1.22 -0.57 5.16 -3.77 0.00 -1.26 -4.77 105.19 98.76 1wg4 n GLY 7 Ca -0.12 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.35 0.09 3.80 -0.02 0.00 -1.26 -4.92 105.19 101.53 1wg4 n GLY 8 Ca -0.04 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 1.95 -0.09 1.61 0.04 -1.26 -4.99 135.00 132.26 1wg4 s PRO 9 Ca 0.00 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1wg4 s PRO 9 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1wg4 s PRO 9 CO 0.00 -1.70 1.24 -1.25 0.04 0.00 0.00 177.00 175.33 1wg4 s PRO 10 N -5.17 4.31 0.67 0.56 0.04 -1.26 -5.00 135.00 129.15 1wg4 s PRO 10 Ca 0.61 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1wg4 s PRO 10 Cb -0.14 -3.63 0.01 0.00 0.04 0.00 0.00 34.50 30.77 1wg4 s PRO 10 CO 0.54 -0.55 1.23 -0.08 0.04 0.00 0.00 177.00 178.18 1wg4 s THR 11 N 2.67 2.35 -0.40 1.26 -1.32 -1.26 -5.01 115.64 113.93 1wg4 s THR 11 Ca 0.56 0.19 0.03 0.00 -1.21 0.00 0.00 61.69 61.26 1wg4 s THR 11 Cb -0.24 -2.91 0.16 0.00 -1.51 0.00 0.00 72.50 68.00 1wg4 s THR 11 CO 0.20 -0.07 0.35 -0.13 -2.21 0.00 0.00 174.62 172.76 1wg4 s ARG 12 N -3.64 0.76 0.40 7.08 3.00 -1.26 -5.13 118.95 120.17 1wg4 s ARG 12 Ca 0.77 -1.51 0.03 0.00 0.00 0.00 0.00 55.73 55.02 1wg4 s ARG 12 Cb -0.31 -1.09 -0.03 0.00 0.00 0.00 0.00 34.95 33.51 1wg4 s ARG 12 CO 0.41 -1.29 0.10 -0.98 0.00 0.00 0.00 175.30 173.53 1wg4 s ARG 13 N 0.72 1.90 0.39 3.54 3.03 -1.26 -5.11 118.95 122.16 1wg4 s ARG 13 Ca 0.25 -2.14 -0.22 0.00 2.03 0.00 0.00 55.73 55.64 1wg4 s ARG 13 Cb -0.08 -0.79 -0.15 0.00 -1.03 0.00 0.00 34.95 32.89 1wg4 s ARG 13 CO -0.09 -0.39 0.21 0.45 -1.13 0.00 0.00 175.30 174.35 1wg4 n SER 14 N -1.16 -2.38 -2.21 -2.89 2.88 -1.26 -4.82 113.62 101.79 1wg4 n SER 14 Ca -0.07 0.86 -0.29 0.00 -1.33 0.00 0.00 58.87 58.04 1wg4 n SER 14 Cb 0.66 -0.93 0.09 0.00 -0.75 0.00 0.00 64.21 63.27 1wg4 n SER 14 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wg4 n ASP 15 N 2.12 6.75 -3.96 -3.46 9.92 -1.26 -4.84 116.55 121.81 1wg4 n ASP 15 Ca 0.12 -3.60 -0.30 0.00 -0.53 0.00 0.00 54.79 50.48 1wg4 n ASP 15 Cb 0.38 -0.96 -0.16 0.00 -0.64 0.00 0.00 41.12 39.75 1wg4 n ASP 15 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1wg4 s PHE 16 N -3.32 2.46 0.27 1.24 0.08 -1.26 -5.08 117.98 112.38 1wg4 s PHE 16 Ca 0.56 -1.75 0.02 0.00 0.12 0.00 0.00 56.93 55.88 1wg4 s PHE 16 Cb 0.45 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1wg4 s PHE 16 CO 0.01 -0.77 0.24 -0.98 -0.10 0.00 0.00 175.22 173.62 1wg4 s ARG 17 N 1.38 1.52 -0.05 0.44 1.70 -1.26 0.28 118.95 122.95 1wg4 s ARG 17 Ca -0.05 -1.79 0.02 0.00 -0.47 0.00 0.00 55.73 53.44 1wg4 s ARG 17 Cb -0.18 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.53 1wg4 s ARG 17 CO -0.07 -0.55 -0.09 0.14 -1.08 0.00 0.00 175.30 173.66 1wg4 s VAL 18 N -3.75 0.86 -0.33 4.99 -7.23 0.19 -4.55 120.40 110.58 1wg4 s VAL 18 Ca 0.38 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 60.04 1wg4 s VAL 18 Cb 0.04 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 36.16 1wg4 s VAL 18 CO 0.19 0.29 0.52 -0.76 -0.31 0.00 0.00 175.10 175.03 1wg4 s LEU 19 N 0.68 4.26 -0.07 1.32 2.01 0.12 -1.90 118.68 125.11 1wg4 s LEU 19 Ca -0.12 0.12 -0.11 0.00 0.01 0.00 0.00 54.13 54.03 1wg4 s LEU 19 Cb -0.14 -2.62 -0.05 0.00 0.01 0.00 0.00 46.19 43.39 1wg4 s LEU 19 CO 0.02 -0.44 0.28 -0.69 1.01 0.00 0.00 176.35 176.53 1wg4 s VAL 20 N 2.40 5.27 -0.03 -1.59 1.01 -0.17 -2.93 120.40 124.36 1wg4 s VAL 20 Ca 0.20 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 1wg4 s VAL 20 Cb -0.15 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1wg4 s VAL 20 CO 0.12 0.58 0.12 -0.44 0.00 0.00 0.00 175.10 175.48 1wg4 s SER 21 N -0.91 -0.07 0.00 3.32 0.01 -1.14 0.88 113.70 115.79 1wg4 s SER 21 Ca 0.19 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1wg4 s SER 21 Cb -0.14 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wg4 s SER 21 CO 0.08 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1wg4 n GLY 22 N 2.52 0.90 3.91 3.44 0.00 0.50 -1.34 105.19 115.12 1wg4 n GLY 22 Ca -0.16 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.18 3.81 0.94 0.99 1.43 0.58 -3.94 118.68 122.30 1wg4 s LEU 23 Ca 0.00 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 1wg4 s LEU 23 Cb 0.00 -3.73 0.16 0.00 0.03 0.00 0.00 46.19 42.65 1wg4 s LEU 23 CO 0.00 -0.43 1.15 -2.16 0.23 0.00 0.00 176.35 175.14 1wg4 s PRO 24 N -4.33 0.86 0.38 1.29 0.04 -1.26 -4.28 135.00 127.69 1wg4 s PRO 24 Ca 0.46 0.18 0.20 0.00 0.04 0.00 0.00 61.00 61.89 1wg4 s PRO 24 Cb -0.10 -1.82 0.57 0.00 0.04 0.00 0.00 34.50 33.19 1wg4 s PRO 24 CO 0.39 -2.37 1.67 -1.00 0.04 0.00 0.00 177.00 175.73 1wg4 h PRO 25 N -1.62 0.00 -0.01 0.56 0.13 -1.97 -3.01 132.00 126.08 1wg4 h PRO 25 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wg4 h PRO 25 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wg4 h PRO 25 CO 0.57 0.32 -0.35 0.43 -0.23 0.00 0.00 178.00 178.73 1wg4 n SER 26 N -3.33 1.63 -4.75 1.44 7.64 -1.26 -5.00 113.62 110.00 1wg4 n SER 26 Ca 0.01 -1.32 -0.39 0.00 1.01 0.00 0.00 58.87 58.19 1wg4 n SER 26 Cb 0.55 0.48 0.04 0.00 -1.01 0.00 0.00 64.21 64.27 1wg4 n SER 26 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wg4 s GLY 27 N -1.95 2.89 0.38 0.23 0.00 -1.14 -4.35 107.32 103.38 1wg4 s GLY 27 Ca 0.13 1.36 0.01 0.00 0.00 0.00 0.00 44.72 46.22 1wg4 s GLY 27 CO 0.42 1.90 0.03 1.44 0.00 0.00 0.00 173.10 176.89 1wg4 n SER 28 N -0.91 2.60 -0.01 1.64 7.64 -1.26 -4.87 113.62 118.45 1wg4 n SER 28 Ca 0.10 -2.73 -0.16 0.00 1.01 0.00 0.00 58.87 57.08 1wg4 n SER 28 Cb 0.44 0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 63.92 1wg4 n SER 28 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1wg4 n TRP 29 N -0.92 1.12 0.00 1.43 4.27 -1.26 -3.55 117.44 118.54 1wg4 n TRP 29 Ca -0.13 0.30 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 1wg4 n TRP 29 Cb 0.50 -1.17 0.00 0.00 -1.36 0.00 0.00 31.31 29.28 1wg4 n TRP 29 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1wg4 n GLN 30 N -3.29 0.00 -0.34 -2.67 6.02 -1.26 0.11 117.38 115.95 1wg4 n GLN 30 Ca -0.26 0.61 0.15 0.00 -0.01 0.00 0.00 57.00 57.49 1wg4 n GLN 30 Cb 1.05 -1.34 0.35 0.00 1.02 0.00 0.00 30.24 31.33 1wg4 n GLN 30 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1wg4 h ASP 31 N 0.00 0.67 -0.32 1.08 1.82 -1.94 0.32 116.42 118.05 1wg4 h ASP 31 Ca 0.00 0.13 0.05 0.00 -0.39 0.00 0.00 57.03 56.82 1wg4 h ASP 31 Cb 0.00 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 1wg4 h ASP 31 CO 0.00 0.15 0.02 0.25 -1.61 0.00 0.00 179.24 178.04 1wg4 h LEU 32 N 0.62 -0.09 0.53 2.28 6.46 -1.36 -1.66 115.31 122.08 1wg4 h LEU 32 Ca 0.61 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 58.42 1wg4 h LEU 32 Cb 1.10 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.13 1wg4 h LEU 32 CO -0.45 -0.01 -0.46 0.50 -0.62 0.00 0.00 178.44 177.40 1wg4 h LYS 33 N 0.11 -0.94 -1.26 1.25 3.64 0.47 1.02 116.57 120.87 1wg4 h LYS 33 Ca 0.15 0.06 0.36 0.00 -1.27 0.00 0.00 60.65 59.96 1wg4 h LYS 33 Cb 0.20 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1wg4 h LYS 33 CO -0.24 -0.62 1.14 0.22 -2.27 0.00 0.00 179.45 177.68 1wg4 h ASP 34 N -0.97 0.00 0.00 4.20 3.58 -0.97 1.50 116.42 123.76 1wg4 h ASP 34 Ca -0.07 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1wg4 h ASP 34 Cb 0.82 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1wg4 h ASP 34 CO -0.02 0.00 -0.45 -0.74 -2.88 0.00 0.00 179.24 175.15 1wg4 h HIS 35 N 0.00 0.00 -0.96 0.28 2.76 0.03 -3.37 115.15 113.89 1wg4 h HIS 35 Ca 0.60 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.89 1wg4 h HIS 35 Cb 2.87 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 31.75 1wg4 h HIS 35 CO 0.00 0.35 0.61 0.52 -1.30 0.00 0.00 177.93 178.11 1wg4 h MET 36 N -1.00 0.86 -1.07 5.26 2.86 0.48 -0.07 114.93 122.25 1wg4 h MET 36 Ca -0.06 -0.05 0.31 0.00 -2.06 0.00 0.00 59.70 57.84 1wg4 h MET 36 Cb 0.55 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1wg4 h MET 36 CO -0.04 0.57 1.12 0.00 1.06 0.00 0.00 176.91 179.63 1wg4 h ARG 37 N 0.89 0.00 -0.58 1.72 2.47 0.17 -1.03 114.38 118.02 1wg4 h ARG 37 Ca 0.48 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.44 1wg4 h ARG 37 Cb 0.57 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.78 1wg4 h ARG 37 CO -0.24 0.00 0.29 0.39 0.56 0.00 0.00 179.97 180.97 1wg4 n GLU 38 N -3.43 -0.04 0.00 0.04 -0.58 -0.04 -0.96 120.64 115.63 1wg4 n GLU 38 Ca 0.24 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1wg4 n GLU 38 Cb 1.45 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1wg4 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wg4 n ALA 39 N -2.62 0.00 -2.49 0.62 0.00 -0.39 -4.95 120.51 110.68 1wg4 n ALA 39 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 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 0.31 4.20 3.68 0.00 0.00 -0.14 -4.92 105.19 108.32 1wg4 n GLY 40 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 1.31 6.31 -0.36 1.61 2.15 -1.26 -4.64 116.67 121.78 1wg4 s ASP 41 Ca 0.00 0.35 -0.18 0.00 0.43 0.00 0.00 52.55 53.15 1wg4 s ASP 41 Cb 0.00 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 1wg4 s ASP 41 CO 0.00 0.02 0.50 -0.69 -0.17 0.00 0.00 175.17 174.83 1wg4 s VAL 42 N 1.04 5.02 0.00 1.11 1.01 -1.26 -3.70 120.40 123.62 1wg4 s VAL 42 Ca 0.14 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.43 1wg4 s VAL 42 Cb -0.14 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.03 1wg4 s VAL 42 CO 0.05 -0.26 0.84 0.00 0.00 0.00 0.00 175.10 175.74 1wg4 s TYR 44 N -2.63 1.64 -0.23 0.00 6.14 -1.25 -5.00 117.35 116.02 1wg4 s TYR 44 Ca -0.04 -0.39 -0.04 0.00 0.64 0.00 0.00 57.07 57.24 1wg4 s TYR 44 Cb 0.08 -1.08 0.12 0.00 0.42 0.00 0.00 41.96 41.50 1wg4 s TYR 44 CO 0.82 -0.09 0.40 0.00 0.64 0.00 0.00 175.55 177.32 1wg4 s ALA 45 N -0.19 -1.17 0.10 3.97 0.00 -1.26 -2.13 121.76 121.07 1wg4 s ALA 45 Ca 0.02 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 1wg4 s ALA 45 Cb -0.09 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1wg4 s ALA 45 CO 0.01 -1.06 0.02 -0.51 0.00 0.00 0.00 175.76 174.22 1wg4 s ASP 46 N 2.59 0.38 0.07 0.00 1.11 -0.50 -4.95 116.67 115.37 1wg4 s ASP 46 Ca 0.07 -1.10 0.03 0.00 0.18 0.00 0.00 52.55 51.73 1wg4 s ASP 46 Cb -0.14 0.26 -0.03 0.00 1.07 0.00 0.00 42.92 44.08 1wg4 s ASP 46 CO -0.15 -0.68 -0.09 0.68 1.18 0.00 0.00 175.17 176.12 1wg4 s VAL 47 N -3.99 0.75 0.39 -1.27 -7.23 -1.26 -1.54 120.40 106.24 1wg4 s VAL 47 Ca 0.16 -1.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 1wg4 s VAL 47 Cb 0.08 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 1wg4 s VAL 47 CO -0.04 -0.46 0.02 -1.10 -0.31 0.00 0.00 175.10 173.21 1wg4 s GLN 48 N -2.18 1.89 1.05 4.82 -1.52 0.10 -4.93 119.66 118.89 1wg4 s GLN 48 Ca -0.02 -2.06 -0.16 0.00 -1.95 0.00 0.00 55.36 51.16 1wg4 s GLN 48 Cb -0.06 -1.46 0.22 0.00 -0.22 0.00 0.00 33.01 31.48 1wg4 s GLN 48 CO -0.00 -0.08 1.17 0.21 -0.25 0.00 0.00 175.29 176.33 1wg4 s LYS 49 N -3.75 -0.01 0.00 2.91 2.20 -1.26 -3.34 119.74 116.49 1wg4 s LYS 49 Ca 0.35 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1wg4 s LYS 49 Cb 0.10 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 1wg4 s LYS 49 CO 0.17 -2.92 0.00 -3.47 -0.36 0.00 0.00 175.35 168.77 1wg4 n ASP 50 N -4.21 0.00 0.00 1.43 -0.08 -1.26 -2.97 116.55 109.46 1wg4 n ASP 50 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1wg4 n ASP 50 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1wg4 n ASP 50 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg4 n GLY 51 N 0.00 0.00 3.65 0.27 0.00 -1.25 -4.68 105.19 103.18 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 2.28 0.23 1.61 -1.94 -1.16 0.19 119.30 120.52 1wg4 s MET 52 Ca 0.00 -1.46 -0.17 0.00 -1.71 0.00 0.00 55.69 52.35 1wg4 s MET 52 Cb 0.00 -2.14 0.02 0.00 2.01 0.00 0.00 34.83 34.71 1wg4 s MET 52 CO 0.00 0.32 0.56 0.20 -0.01 0.00 0.00 175.02 176.09 1wg4 s GLY 53 N -3.70 0.09 -0.19 -0.03 0.00 0.25 0.01 107.32 103.77 1wg4 s GLY 53 Ca 0.32 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 1wg4 s GLY 53 CO 0.20 -0.33 0.47 -0.29 0.00 0.00 0.00 173.10 173.15 1wg4 s MET 54 N -3.93 0.45 -0.02 2.90 1.75 -0.59 -0.99 119.30 118.87 1wg4 s MET 54 Ca 0.14 0.88 0.00 0.00 -1.25 0.00 0.00 55.69 55.46 1wg4 s MET 54 Cb -0.02 0.01 0.02 0.00 2.84 0.00 0.00 34.83 37.68 1wg4 s MET 54 CO 0.03 -0.16 -0.00 0.14 -0.65 0.00 0.00 175.02 174.38 1wg4 s VAL 55 N 1.46 0.14 0.05 10.11 -7.23 -0.80 -1.40 120.40 122.74 1wg4 s VAL 55 Ca -0.10 0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1wg4 s VAL 55 Cb -0.08 -0.21 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 1wg4 s VAL 55 CO -0.14 0.11 0.06 -1.61 -0.31 0.00 0.00 175.10 173.21 1wg4 s GLU 56 N 0.68 2.88 0.01 4.82 2.02 -0.91 0.55 118.70 128.75 1wg4 s GLU 56 Ca -0.06 -0.65 0.09 0.00 0.02 0.00 0.00 54.97 54.36 1wg4 s GLU 56 Cb -0.09 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1wg4 s GLU 56 CO -0.01 0.59 -0.26 0.71 0.02 0.00 0.00 175.26 176.30 1wg4 s TYR 57 N -1.30 2.33 -0.40 1.61 2.02 0.14 -3.12 117.35 118.63 1wg4 s TYR 57 Ca 0.26 -0.42 0.26 0.00 -0.37 0.00 0.00 57.07 56.80 1wg4 s TYR 57 Cb -0.12 -1.45 0.82 0.00 -0.40 0.00 0.00 41.96 40.81 1wg4 s TYR 57 CO 0.18 0.04 1.76 -0.07 -1.57 0.00 0.00 175.55 175.90 1wg4 h LEU 58 N 5.15 0.00 -8.68 -1.29 3.38 -1.83 -3.40 115.31 108.64 1wg4 h LEU 58 Ca -0.45 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.83 1wg4 h LEU 58 Cb 1.13 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.60 1wg4 h LEU 58 CO 0.45 0.00 -0.85 -0.13 0.09 0.00 0.00 178.44 178.00 1wg4 s ARG 59 N -3.30 2.32 0.06 1.13 1.81 -1.26 -4.88 118.95 114.83 1wg4 s ARG 59 Ca 0.06 -0.85 -0.29 0.00 -1.72 0.00 0.00 55.73 52.93 1wg4 s ARG 59 Cb 0.09 -2.17 -0.17 0.00 -0.45 0.00 0.00 34.95 32.24 1wg4 s ARG 59 CO 0.57 0.54 1.59 -0.22 -0.68 0.00 0.00 175.30 177.10 1wg4 h LYS 60 N 5.57 -0.53 -0.47 3.54 3.64 -1.94 -2.95 116.57 123.43 1wg4 h LYS 60 Ca -0.42 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.09 1wg4 h LYS 60 Cb 1.14 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.98 1wg4 h LYS 60 CO 0.48 -0.31 -0.30 0.93 -2.27 0.00 0.00 179.45 177.98 1wg4 h GLU 61 N -0.61 -0.19 -0.99 1.90 5.08 -1.98 0.42 114.58 118.21 1wg4 h GLU 61 Ca -0.06 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.50 1wg4 h GLU 61 Cb 0.46 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 29.57 1wg4 h GLU 61 CO 0.09 -0.13 -0.30 -0.44 -1.00 0.00 0.00 179.01 177.23 1wg4 h ASP 62 N -0.20 -1.12 0.10 1.42 3.32 -1.88 1.54 116.42 119.61 1wg4 h ASP 62 Ca 0.20 0.30 0.01 0.00 0.02 0.00 0.00 57.03 57.56 1wg4 h ASP 62 Cb 0.52 0.67 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1wg4 h ASP 62 CO -0.58 -0.31 -0.33 -0.03 -1.72 0.00 0.00 179.24 176.27 1wg4 h MET 63 N -0.00 -0.47 -0.54 3.56 4.05 -0.76 0.27 114.93 121.03 1wg4 h MET 63 Ca 0.42 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.93 1wg4 h MET 63 Cb 0.67 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.53 1wg4 h MET 63 CO -1.01 -0.32 0.26 0.93 0.23 0.00 0.00 176.91 177.01 1wg4 h GLU 64 N -0.49 0.49 0.04 0.39 5.08 -0.60 0.42 114.58 119.91 1wg4 h GLU 64 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1wg4 h GLU 64 Cb 0.48 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1wg4 h GLU 64 CO -0.17 0.32 -0.29 -0.92 -1.00 0.00 0.00 179.01 176.95 1wg4 h TYR 65 N 0.50 -0.86 -0.83 4.33 5.03 0.25 0.27 116.97 125.66 1wg4 h TYR 65 Ca 0.25 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.62 1wg4 h TYR 65 Cb 0.18 0.37 -0.05 0.00 1.55 0.00 0.00 36.73 38.78 1wg4 h TYR 65 CO -0.11 -0.32 0.55 0.00 -1.32 0.00 0.00 178.16 176.95 1wg4 h ALA 66 N -0.96 1.51 0.02 1.82 0.00 -0.31 0.62 119.26 121.97 1wg4 h ALA 66 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wg4 h ALA 66 Cb 0.41 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1wg4 h ALA 66 CO -0.18 0.40 -0.43 -0.07 0.00 0.00 0.00 179.25 178.97 1wg4 h LEU 67 N 1.01 -1.30 0.14 0.00 3.38 0.84 0.48 115.31 119.86 1wg4 h LEU 67 Ca 0.34 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1wg4 h LEU 67 Cb 0.08 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wg4 h LEU 67 CO -0.11 -0.47 -0.07 0.03 0.09 0.00 0.00 178.44 177.92 1wg4 h ARG 68 N -0.60 -0.18 -0.70 1.13 2.47 0.03 0.67 114.38 117.19 1wg4 h ARG 68 Ca 0.04 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.84 1wg4 h ARG 68 Cb 0.67 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.94 1wg4 h ARG 68 CO -0.31 -0.12 -0.42 1.63 0.56 0.00 0.00 179.97 181.32 1wg4 n LYS 69 N -3.16 -0.31 0.26 0.04 4.01 0.21 -1.37 118.16 117.84 1wg4 n LYS 69 Ca -0.02 1.15 -0.10 0.00 -0.51 0.00 0.00 58.31 58.82 1wg4 n LYS 69 Cb 0.08 -1.69 -0.05 0.00 -0.51 0.00 0.00 35.03 32.85 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 -0.57 0.00 -0.35 3.38 -0.15 -3.47 115.31 114.15 1wg4 h LEU 70 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wg4 h LEU 70 Cb 0.29 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1wg4 h LEU 70 CO -0.66 -0.31 0.00 -0.67 0.09 0.00 0.00 178.44 176.89 1wg4 n ASP 71 N -4.39 0.00 -2.16 -0.43 2.03 0.23 -3.62 116.55 108.22 1wg4 n ASP 71 Ca -0.08 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.20 1wg4 n ASP 71 Cb 0.27 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.64 1wg4 n ASP 71 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wg4 n ASP 72 N 1.27 -1.68 -4.30 1.67 -0.08 -1.15 -4.86 116.55 107.42 1wg4 n ASP 72 Ca 0.00 0.81 -0.16 0.00 -1.51 0.00 0.00 54.79 53.93 1wg4 n ASP 72 Cb 0.00 -3.54 -0.10 0.00 2.34 0.00 0.00 41.12 39.82 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1wg4 s THR 73 N -0.49 1.05 -0.61 5.18 -4.23 0.16 -4.91 115.64 111.80 1wg4 s THR 73 Ca -0.15 -2.04 -0.20 0.00 -1.18 0.00 0.00 61.69 58.12 1wg4 s THR 73 Cb 0.01 -2.17 0.09 0.00 1.34 0.00 0.00 72.50 71.77 1wg4 s THR 73 CO 0.47 -0.47 0.77 -0.75 -0.54 0.00 0.00 174.62 174.11 1wg4 s LYS 74 N -3.83 3.06 -0.13 3.99 2.20 -1.26 -0.69 119.74 123.08 1wg4 s LYS 74 Ca 0.24 -1.18 -0.23 0.00 -0.36 0.00 0.00 55.97 54.45 1wg4 s LYS 74 Cb 0.05 -4.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 1wg4 s LYS 74 CO 0.06 -1.60 0.70 0.12 -0.36 0.00 0.00 175.35 174.26 1wg4 s PHE 75 N 3.04 3.48 -0.35 4.03 5.36 0.11 -4.86 117.98 128.79 1wg4 s PHE 75 Ca 0.14 1.14 -0.16 0.00 -0.96 0.00 0.00 56.93 57.09 1wg4 s PHE 75 Cb -0.22 -2.84 -0.01 0.00 -0.34 0.00 0.00 43.02 39.61 1wg4 s PHE 75 CO 0.07 -0.06 0.40 0.50 -1.46 0.00 0.00 175.22 174.67 1wg4 s ARG 76 N 1.44 3.55 0.70 10.12 3.52 -1.26 -1.41 118.95 135.60 1wg4 s ARG 76 Ca 0.34 -0.38 -0.13 0.00 -0.13 0.00 0.00 55.73 55.43 1wg4 s ARG 76 Cb -0.17 -3.81 0.02 0.00 -1.56 0.00 0.00 34.95 29.43 1wg4 s ARG 76 CO 0.14 -0.57 1.08 -1.54 -0.81 0.00 0.00 175.30 173.61 1wg4 s SER 77 N 1.74 5.05 0.56 -2.12 1.04 0.12 -4.85 113.70 115.25 1wg4 s SER 77 Ca 0.13 1.82 0.35 0.00 0.48 0.00 0.00 55.95 58.73 1wg4 s SER 77 Cb -0.16 -2.53 1.89 0.00 0.10 0.00 0.00 66.02 65.32 1wg4 s SER 77 CO 0.12 -1.66 2.06 1.12 0.98 0.00 0.00 173.24 175.85 1wg4 h HIS 78 N -0.48 0.00 -0.14 5.02 2.07 -1.87 0.94 115.15 120.69 1wg4 h HIS 78 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1wg4 h HIS 78 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 1wg4 h HIS 78 CO 0.58 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.83 1wg4 n GLU 79 N -2.78 1.88 0.00 5.12 -0.58 -1.26 -4.92 120.64 118.09 1wg4 n GLU 79 Ca -0.02 -1.30 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 1wg4 n GLU 79 Cb 0.13 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1wg4 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wg4 n GLY 80 N 1.22 2.48 3.56 0.62 0.00 0.33 -5.00 105.19 108.39 1wg4 n GLY 80 Ca 0.17 -0.49 -0.57 0.00 0.00 0.00 0.00 46.02 45.13 1wg4 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wg4 n GLU 81 N 0.00 0.42 -4.16 1.61 1.02 -1.26 -4.16 120.64 114.11 1wg4 n GLU 81 Ca 0.00 0.15 -0.32 0.00 -0.02 0.00 0.00 57.16 56.98 1wg4 n GLU 81 Cb 0.00 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 1wg4 n GLU 81 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wg4 s THR 82 N 0.58 4.30 0.09 2.62 -4.23 -1.26 0.15 115.64 117.89 1wg4 s THR 82 Ca 0.90 -0.70 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 1wg4 s THR 82 Cb -1.18 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 69.69 1wg4 s THR 82 CO 0.56 0.25 0.34 -0.44 -0.54 0.00 0.00 174.62 174.80 1wg4 s SER 83 N -1.97 -0.15 -0.28 3.99 0.01 -0.50 -4.97 113.70 109.83 1wg4 s SER 83 Ca 0.24 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.03 1wg4 s SER 83 Cb -0.12 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 1wg4 s SER 83 CO 0.16 -0.75 0.48 -0.31 0.41 0.00 0.00 173.24 173.23 1wg4 s TYR 84 N -3.34 3.24 -0.14 2.43 1.51 -1.25 0.07 117.35 119.88 1wg4 s TYR 84 Ca 0.00 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.54 1wg4 s TYR 84 Cb 0.01 -2.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.12 1wg4 s TYR 84 CO -0.08 -0.32 -0.10 0.96 -1.11 0.00 0.00 175.55 174.90 1wg4 s ILE 85 N 2.27 3.34 0.23 2.71 -4.36 0.13 -4.41 121.20 121.10 1wg4 s ILE 85 Ca 0.19 -0.56 -0.08 0.00 -0.26 0.00 0.00 60.65 59.95 1wg4 s ILE 85 Cb -0.16 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.06 1wg4 s ILE 85 CO 0.10 0.51 0.52 -0.13 0.24 0.00 0.00 174.94 176.19 1wg4 s ARG 86 N 0.36 3.73 -0.16 0.37 3.00 -0.45 -0.66 118.95 125.15 1wg4 s ARG 86 Ca -0.08 0.16 0.01 0.00 0.00 0.00 0.00 55.73 55.82 1wg4 s ARG 86 Cb -0.15 -2.68 0.02 0.00 0.00 0.00 0.00 34.95 32.14 1wg4 s ARG 86 CO 0.05 0.32 -0.19 0.08 0.00 0.00 0.00 175.30 175.55 1wg4 s VAL 87 N -1.85 1.92 0.07 3.52 1.01 -1.26 -2.91 120.40 120.91 1wg4 s VAL 87 Ca 0.46 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1wg4 s VAL 87 Cb -0.11 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1wg4 s VAL 87 CO 0.24 0.52 0.36 -0.72 0.00 0.00 0.00 175.10 175.50 1wg4 s TYR 88 N 1.17 -0.16 1.02 5.22 1.13 -1.15 -4.62 117.35 119.95 1wg4 s TYR 88 Ca 0.01 -0.03 -0.16 0.00 -1.41 0.00 0.00 57.07 55.48 1wg4 s TYR 88 Cb -0.14 0.17 0.20 0.00 -1.10 0.00 0.00 41.96 41.10 1wg4 s TYR 88 CO -0.09 -0.59 1.19 -1.25 -2.51 0.00 0.00 175.55 172.30 1wg4 s PRO 89 N -3.06 0.24 0.09 -3.49 0.04 -1.26 0.14 135.00 127.70 1wg4 s PRO 89 Ca -0.02 -0.05 -0.06 0.00 0.04 0.00 0.00 61.00 60.91 1wg4 s PRO 89 Cb 0.01 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1wg4 s PRO 89 CO -0.07 -2.74 0.35 -2.00 0.04 0.00 0.00 177.00 172.59 1wg4 s GLU 90 N -5.52 3.64 -0.15 4.56 -6.30 -1.26 -4.70 118.70 108.97 1wg4 s GLU 90 Ca 0.69 -0.03 -0.03 0.00 -2.50 0.00 0.00 54.97 53.10 1wg4 s GLU 90 Cb -0.10 -2.94 0.05 0.00 0.00 0.00 0.00 34.13 31.14 1wg4 s GLU 90 CO 0.54 0.54 0.05 1.03 0.02 0.00 0.00 175.26 177.44 1wg4 s ARG 91 N -2.27 0.33 0.00 4.30 1.81 -1.26 -5.11 118.95 116.76 1wg4 s ARG 91 Ca 0.36 -0.12 0.00 0.00 -1.72 0.00 0.00 55.73 54.25 1wg4 s ARG 91 Cb -0.13 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1wg4 s ARG 91 CO 0.21 -0.56 0.00 0.45 -0.68 0.00 0.00 175.30 174.72 1wg4 n SER 92 N 5.18 0.00 -4.85 0.23 2.88 -1.26 -5.17 113.62 110.63 1wg4 n SER 92 Ca -0.07 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 1wg4 n SER 92 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1wg4 n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg4 s SER 93 N 0.00 6.53 -0.04 -3.46 1.04 -1.26 -5.07 113.70 111.43 1wg4 s SER 93 Ca 0.00 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.59 1wg4 s SER 93 Cb 0.00 -2.47 0.11 0.00 0.10 0.00 0.00 66.02 63.76 1wg4 s SER 93 CO 0.00 -0.61 1.02 -0.83 0.98 0.00 0.00 173.24 173.79 1wg4 s GLY 94 N -3.31 -0.39 -0.66 7.32 0.00 -1.26 -5.10 107.32 103.92 1wg4 s GLY 94 Ca 0.57 1.06 -0.27 0.00 0.00 0.00 0.00 44.72 46.08 1wg4 s GLY 94 CO 0.36 0.34 1.55 2.56 0.00 0.00 0.00 173.10 177.91 1wg4 s PRO 95 N -2.89 2.96 -0.03 2.90 0.04 -1.26 -4.86 135.00 131.86 1wg4 s PRO 95 Ca 0.08 0.22 -0.19 0.00 0.04 0.00 0.00 61.00 61.14 1wg4 s PRO 95 Cb -0.01 -4.27 -0.12 0.00 0.04 0.00 0.00 34.50 30.15 1wg4 s PRO 95 CO -0.06 -2.38 0.82 1.03 0.04 0.00 0.00 177.00 176.45 1wg4 h SER 96 N 12.32 -0.47 -4.80 6.66 0.87 -2.03 -3.49 113.55 122.62 1wg4 h SER 96 Ca -0.27 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1wg4 h SER 96 Cb 1.10 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 1wg4 h SER 96 CO 1.24 -0.03 -1.11 -1.20 -0.53 0.00 0.00 176.83 175.20 1wg4 n SER 97 N -5.15 -7.27 0.00 6.23 7.64 -1.26 -5.34 113.62 108.47 1wg4 n SER 97 Ca -0.08 1.74 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1wg4 n SER 97 Cb 0.26 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.30 1wg4 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64