#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 0.59 -4.98 1.61 7.64 -1.26 -5.10 113.62 112.12 1wg4 n SER 2 Ca 0.00 0.22 -0.21 0.00 1.01 0.00 0.00 58.87 59.90 1wg4 n SER 2 Cb 0.00 -0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg4 s SER 3 N -5.57 5.82 0.00 6.43 1.04 -1.26 -4.87 113.70 115.29 1wg4 s SER 3 Ca 0.00 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wg4 s SER 3 Cb 0.00 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.85 1wg4 s SER 3 CO 0.00 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1wg4 n GLY 4 N -1.90 0.32 1.28 7.32 0.00 -1.26 -5.08 105.19 105.86 1wg4 n GLY 4 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1wg4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg4 n SER 5 N -0.27 0.58 -3.74 1.61 2.88 -1.26 -5.10 113.62 108.32 1wg4 n SER 5 Ca 0.00 0.17 -0.13 0.00 -1.33 0.00 0.00 58.87 57.58 1wg4 n SER 5 Cb 0.09 -0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 1wg4 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wg4 s SER 6 N -5.55 -0.30 0.00 -3.46 0.15 -1.26 -5.10 113.70 98.17 1wg4 s SER 6 Ca 0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1wg4 s SER 6 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1wg4 s SER 6 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wg4 n GLY 7 N 1.98 -0.08 2.60 9.45 0.00 -1.26 -4.96 105.19 112.94 1wg4 n GLY 7 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 2.07 0.62 3.80 -0.02 0.00 -1.26 -5.15 105.19 105.25 1wg4 n GLY 8 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 0.36 2.07 -1.15 1.61 0.04 -1.26 -4.92 135.00 131.75 1wg4 s PRO 9 Ca 0.32 0.63 -0.21 0.00 0.04 0.00 0.00 61.00 61.78 1wg4 s PRO 9 Cb 0.11 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 1wg4 s PRO 9 CO -0.15 -1.63 1.78 -1.25 0.04 0.00 0.00 177.00 175.80 1wg4 s PRO 10 N -5.16 3.20 -0.65 0.56 0.04 -1.26 -4.91 135.00 126.81 1wg4 s PRO 10 Ca 0.61 -1.29 -0.26 0.00 0.04 0.00 0.00 61.00 60.10 1wg4 s PRO 10 Cb -0.14 -5.33 -0.03 0.00 0.04 0.00 0.00 34.50 29.03 1wg4 s PRO 10 CO 0.54 -2.99 1.93 0.99 0.04 0.00 0.00 177.00 177.50 1wg4 s THR 11 N 7.53 3.34 -0.88 1.26 2.01 -1.26 -4.89 115.64 122.75 1wg4 s THR 11 Ca 0.60 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 1wg4 s THR 11 Cb -0.00 -3.87 0.22 0.00 0.01 0.00 0.00 72.50 68.86 1wg4 s THR 11 CO 0.05 -0.84 0.76 -0.13 -0.69 0.00 0.00 174.62 173.78 1wg4 s ARG 12 N 7.16 3.27 0.29 4.92 1.81 -1.26 -5.02 118.95 130.12 1wg4 s ARG 12 Ca 0.70 -3.17 0.05 0.00 -1.72 0.00 0.00 55.73 51.59 1wg4 s ARG 12 Cb -0.12 -3.98 -0.03 0.00 -0.45 0.00 0.00 34.95 30.36 1wg4 s ARG 12 CO 0.17 -1.25 0.23 1.03 -0.68 0.00 0.00 175.30 174.80 1wg4 s ARG 13 N -1.17 1.60 0.70 3.54 3.00 -1.26 -5.13 118.95 120.23 1wg4 s ARG 13 Ca 0.26 -1.91 -0.17 0.00 0.00 0.00 0.00 55.73 53.91 1wg4 s ARG 13 Cb -0.09 0.30 -0.13 0.00 0.00 0.00 0.00 34.95 35.03 1wg4 s ARG 13 CO -0.11 -0.57 -0.20 0.43 0.00 0.00 0.00 175.30 174.85 1wg4 n SER 14 N -1.18 -3.88 -3.49 0.23 7.64 -1.26 -4.91 113.62 106.78 1wg4 n SER 14 Ca 0.06 0.50 -0.29 0.00 1.01 0.00 0.00 58.87 60.15 1wg4 n SER 14 Cb 0.63 -0.90 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1wg4 n SER 14 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wg4 n ASP 15 N 2.22 4.00 -3.41 6.43 9.92 -1.26 -4.98 116.55 129.47 1wg4 n ASP 15 Ca 0.05 -3.44 -0.14 0.00 -0.53 0.00 0.00 54.79 50.73 1wg4 n ASP 15 Cb 0.50 -0.73 -0.10 0.00 -0.64 0.00 0.00 41.12 40.15 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 -2.48 -0.55 0.39 1.24 0.08 -1.26 -5.08 117.98 110.31 1wg4 s PHE 16 Ca 0.39 0.34 0.04 0.00 0.12 0.00 0.00 56.93 57.82 1wg4 s PHE 16 Cb 0.13 -0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 1wg4 s PHE 16 CO -0.00 -0.74 0.15 -0.98 -0.10 0.00 0.00 175.22 173.54 1wg4 s ARG 17 N 2.42 1.88 -0.04 0.44 1.70 -1.26 0.02 118.95 124.11 1wg4 s ARG 17 Ca 0.10 -2.13 -0.01 0.00 -0.47 0.00 0.00 55.73 53.22 1wg4 s ARG 17 Cb -0.15 -0.47 0.03 0.00 -0.57 0.00 0.00 34.95 33.79 1wg4 s ARG 17 CO -0.19 -0.49 0.02 0.14 -1.08 0.00 0.00 175.30 173.69 1wg4 s VAL 18 N -3.27 0.14 -0.08 4.99 -7.23 0.64 -4.69 120.40 110.90 1wg4 s VAL 18 Ca 0.27 0.19 -0.26 0.00 -1.81 0.00 0.00 61.98 60.37 1wg4 s VAL 18 Cb 0.03 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 1wg4 s VAL 18 CO 0.16 0.18 0.84 -0.76 -0.31 0.00 0.00 175.10 175.21 1wg4 s LEU 19 N 1.56 4.29 -0.09 1.32 1.43 0.27 -2.73 118.68 124.73 1wg4 s LEU 19 Ca -0.02 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1wg4 s LEU 19 Cb -0.13 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1wg4 s LEU 19 CO -0.03 -0.25 -0.10 -0.69 0.23 0.00 0.00 176.35 175.51 1wg4 s VAL 20 N 1.29 3.38 -0.05 -1.59 1.01 0.77 -2.11 120.40 123.09 1wg4 s VAL 20 Ca 0.43 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1wg4 s VAL 20 Cb -0.18 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1wg4 s VAL 20 CO 0.19 0.56 0.12 -0.94 0.00 0.00 0.00 175.10 175.04 1wg4 s SER 21 N -0.32 -0.12 0.00 3.32 1.04 -1.15 0.71 113.70 117.18 1wg4 s SER 21 Ca 0.04 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1wg4 s SER 21 Cb -0.13 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1wg4 s SER 21 CO 0.02 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1wg4 n GLY 22 N 3.14 0.54 3.95 7.32 0.00 0.35 -1.44 105.19 119.05 1wg4 n GLY 22 Ca -0.14 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.08 4.30 0.87 0.99 1.43 0.53 -3.67 118.68 123.04 1wg4 s LEU 23 Ca 0.00 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 1wg4 s LEU 23 Cb 0.00 -2.85 0.11 0.00 0.03 0.00 0.00 46.19 43.48 1wg4 s LEU 23 CO 0.00 -0.00 1.12 -2.16 0.23 0.00 0.00 176.35 175.54 1wg4 s PRO 24 N -3.56 1.48 0.15 1.29 0.04 -1.26 -4.26 135.00 128.87 1wg4 s PRO 24 Ca 0.34 0.41 0.24 0.00 0.04 0.00 0.00 61.00 62.03 1wg4 s PRO 24 Cb -0.10 -1.87 0.91 0.00 0.04 0.00 0.00 34.50 33.48 1wg4 s PRO 24 CO 0.28 -1.99 1.73 -0.35 0.04 0.00 0.00 177.00 176.71 1wg4 n PRO 25 N -3.65 0.14 -0.00 0.56 -0.04 -1.26 -2.68 135.00 128.08 1wg4 n PRO 25 Ca 0.07 0.25 0.05 0.00 -0.04 0.00 0.00 63.50 63.83 1wg4 n PRO 25 Cb 0.58 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1wg4 n PRO 25 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg4 n SER 26 N -1.97 1.37 -4.33 3.54 7.64 -1.26 -5.03 113.62 113.58 1wg4 n SER 26 Ca 0.04 -0.42 -0.36 0.00 1.01 0.00 0.00 58.87 59.14 1wg4 n SER 26 Cb 0.30 1.22 0.06 0.00 -1.01 0.00 0.00 64.21 64.79 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 1.53 -2.54 3.36 0.23 0.00 -1.09 -4.36 105.19 102.33 1wg4 n GLY 27 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1wg4 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 28 N -1.40 1.74 -0.03 1.61 0.01 -1.26 -4.93 113.70 109.44 1wg4 s SER 28 Ca 0.57 -1.56 -0.18 0.00 1.31 0.00 0.00 55.95 56.09 1wg4 s SER 28 Cb -0.31 0.37 -0.32 0.00 0.21 0.00 0.00 66.02 65.97 1wg4 s SER 28 CO 0.66 -0.88 0.85 4.11 0.41 0.00 0.00 173.24 178.40 1wg4 h TRP 29 N 2.15 0.67 0.00 2.43 5.08 -1.95 -2.79 115.95 121.55 1wg4 h TRP 29 Ca -0.34 -0.49 0.00 0.00 1.08 0.00 0.00 58.89 59.14 1wg4 h TRP 29 Cb 1.25 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1wg4 h TRP 29 CO 1.07 1.45 0.00 1.04 -1.28 0.00 0.00 178.44 180.72 1wg4 n GLN 30 N -3.94 0.00 -0.30 0.12 6.02 -1.26 0.13 117.38 118.16 1wg4 n GLN 30 Ca -0.17 0.66 0.09 0.00 -0.01 0.00 0.00 57.00 57.57 1wg4 n GLN 30 Cb 0.94 -1.38 0.25 0.00 1.02 0.00 0.00 30.24 31.06 1wg4 n GLN 30 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1wg4 h ASP 31 N 0.00 0.48 -0.45 1.08 3.32 -1.96 0.19 116.42 119.08 1wg4 h ASP 31 Ca 0.00 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.24 1wg4 h ASP 31 Cb 0.00 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 1wg4 h ASP 31 CO 0.00 0.16 0.03 0.25 -1.72 0.00 0.00 179.24 177.96 1wg4 h LEU 32 N 0.57 -0.13 0.90 1.55 6.46 -1.06 -1.52 115.31 122.08 1wg4 h LEU 32 Ca 0.49 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 58.31 1wg4 h LEU 32 Cb 0.77 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1wg4 h LEU 32 CO -0.41 -0.03 -0.45 0.50 -0.62 0.00 0.00 178.44 177.43 1wg4 h LYS 33 N 0.14 -1.19 -1.88 1.25 3.64 0.40 0.14 116.57 119.07 1wg4 h LYS 33 Ca 0.22 0.08 0.55 0.00 -1.27 0.00 0.00 60.65 60.23 1wg4 h LYS 33 Cb 0.32 0.27 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 1wg4 h LYS 33 CO -0.35 -0.79 1.41 -0.44 -2.27 0.00 0.00 179.45 177.00 1wg4 h ASP 34 N -1.24 0.00 0.05 4.20 5.19 -0.60 1.98 116.42 126.00 1wg4 h ASP 34 Ca -0.12 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.16 1wg4 h ASP 34 Cb 0.96 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 1wg4 h ASP 34 CO 0.19 0.00 -0.65 -0.74 -3.12 0.00 0.00 179.24 174.92 1wg4 h HIS 35 N 0.00 0.18 -0.71 4.55 2.76 -0.24 -3.36 115.15 118.33 1wg4 h HIS 35 Ca 0.90 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.90 1wg4 h HIS 35 Cb 3.70 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 32.62 1wg4 h HIS 35 CO 0.00 1.25 0.31 0.52 -1.30 0.00 0.00 177.93 178.71 1wg4 h MET 36 N -0.76 1.05 -1.35 5.26 2.86 0.52 -2.32 114.93 120.20 1wg4 h MET 36 Ca -0.15 -0.18 0.39 0.00 -2.06 0.00 0.00 59.70 57.71 1wg4 h MET 36 Cb 1.31 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 1wg4 h MET 36 CO -0.00 0.85 1.26 0.00 1.06 0.00 0.00 176.91 180.08 1wg4 h ARG 37 N 1.01 0.00 -0.55 1.72 3.08 0.15 -0.79 114.38 119.00 1wg4 h ARG 37 Ca 0.24 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.51 1wg4 h ARG 37 Cb 0.17 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.12 1wg4 h ARG 37 CO -0.02 0.00 0.27 0.39 -1.07 0.00 0.00 179.97 179.54 1wg4 n GLU 38 N -3.52 -0.03 0.00 0.04 4.71 -0.87 -0.87 120.64 120.09 1wg4 n GLU 38 Ca 0.30 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 58.22 1wg4 n GLU 38 Cb 1.67 -1.36 0.00 0.00 -1.01 0.00 0.00 31.44 30.74 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 -2.67 0.00 -2.00 0.62 0.00 -0.30 -4.94 120.51 111.22 1wg4 n ALA 39 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1wg4 n ALA 39 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 0.18 3.11 3.65 0.00 0.00 -0.05 -4.92 105.19 107.16 1wg4 n GLY 40 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 1.36 5.41 -0.21 1.61 -1.08 -1.26 -4.70 116.67 117.80 1wg4 s ASP 41 Ca 0.00 0.11 -0.08 0.00 -0.52 0.00 0.00 52.55 52.06 1wg4 s ASP 41 Cb 0.00 -1.75 -0.04 0.00 -1.46 0.00 0.00 42.92 39.67 1wg4 s ASP 41 CO 0.00 0.28 0.08 -0.69 0.52 0.00 0.00 175.17 175.35 1wg4 s VAL 42 N -0.26 4.72 -0.21 1.11 1.01 -1.26 -3.70 120.40 121.81 1wg4 s VAL 42 Ca 0.07 -0.05 0.13 0.00 0.00 0.00 0.00 61.98 62.13 1wg4 s VAL 42 Cb -0.12 -3.16 -0.23 0.00 0.00 0.00 0.00 36.38 32.87 1wg4 s VAL 42 CO 0.02 0.41 0.03 0.00 0.00 0.00 0.00 175.10 175.55 1wg4 s TYR 44 N -2.51 2.21 -0.23 0.00 6.14 -1.10 -4.98 117.35 116.89 1wg4 s TYR 44 Ca -0.17 -0.42 -0.04 0.00 0.64 0.00 0.00 57.07 57.09 1wg4 s TYR 44 Cb 0.07 -1.42 0.12 0.00 0.42 0.00 0.00 41.96 41.15 1wg4 s TYR 44 CO 0.77 -0.04 0.39 0.00 0.64 0.00 0.00 175.55 177.31 1wg4 s ALA 45 N -0.58 -1.12 0.01 3.97 0.00 -1.26 -2.15 121.76 120.63 1wg4 s ALA 45 Ca 0.10 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1wg4 s ALA 45 Cb -0.09 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1wg4 s ALA 45 CO -0.01 -1.10 0.00 0.34 0.00 0.00 0.00 175.76 174.99 1wg4 s ASP 46 N 2.57 0.17 -0.02 0.00 2.15 0.27 -4.99 116.67 116.81 1wg4 s ASP 46 Ca 0.08 -0.37 0.03 0.00 0.43 0.00 0.00 52.55 52.72 1wg4 s ASP 46 Cb -0.14 0.11 -0.00 0.00 -0.30 0.00 0.00 42.92 42.58 1wg4 s ASP 46 CO -0.15 -0.27 -0.11 0.54 -0.17 0.00 0.00 175.17 175.02 1wg4 s VAL 47 N -1.22 0.90 0.33 1.11 0.11 -1.26 0.29 120.40 120.64 1wg4 s VAL 47 Ca -0.13 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.54 1wg4 s VAL 47 Cb -0.08 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 1wg4 s VAL 47 CO -0.00 0.26 0.29 -1.10 -3.33 0.00 0.00 175.10 171.22 1wg4 s GLN 48 N -0.04 2.76 1.20 1.54 -0.21 -0.20 -4.96 119.66 119.75 1wg4 s GLN 48 Ca 0.00 -1.26 -0.18 0.00 0.02 0.00 0.00 55.36 53.95 1wg4 s GLN 48 Cb -0.07 -2.50 0.28 0.00 1.00 0.00 0.00 33.01 31.73 1wg4 s GLN 48 CO 0.00 0.13 1.07 0.21 -2.12 0.00 0.00 175.29 174.59 1wg4 s LYS 49 N -3.98 -1.19 0.00 2.91 2.47 -1.26 -2.86 119.74 115.83 1wg4 s LYS 49 Ca 0.40 0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 1wg4 s LYS 49 Cb -0.06 -1.58 0.00 0.00 -1.46 0.00 0.00 37.83 34.73 1wg4 s LYS 49 CO 0.26 -3.73 0.00 -3.47 0.16 0.00 0.00 175.35 168.58 1wg4 n ASP 50 N -4.81 0.00 0.00 1.43 2.03 -1.26 -3.25 116.55 110.69 1wg4 n ASP 50 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 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 3.67 0.27 0.00 -1.25 -4.68 105.19 103.21 1wg4 n GLY 51 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.40 0.08 1.61 -1.94 -1.13 0.13 119.30 120.45 1wg4 s MET 52 Ca 0.00 -1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 52.58 1wg4 s MET 52 Cb 0.00 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.59 1wg4 s MET 52 CO 0.00 0.39 0.25 0.20 -0.01 0.00 0.00 175.02 175.85 1wg4 s GLY 53 N -3.51 -0.03 -0.15 -0.03 0.00 0.22 -1.04 107.32 102.80 1wg4 s GLY 53 Ca 0.30 -0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 1wg4 s GLY 53 CO 0.20 -0.54 0.36 -0.29 0.00 0.00 0.00 173.10 172.83 1wg4 s MET 54 N -3.37 0.36 -0.02 2.90 1.75 0.14 -0.17 119.30 120.89 1wg4 s MET 54 Ca 0.01 0.66 -0.02 0.00 -1.25 0.00 0.00 55.69 55.09 1wg4 s MET 54 Cb 0.02 0.00 0.01 0.00 2.84 0.00 0.00 34.83 37.71 1wg4 s MET 54 CO -0.08 -0.13 0.06 0.14 -0.65 0.00 0.00 175.02 174.35 1wg4 s VAL 55 N 1.09 -0.01 -0.16 10.11 -7.23 -1.10 -0.57 120.40 122.53 1wg4 s VAL 55 Ca -0.07 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 1wg4 s VAL 55 Cb -0.08 -0.10 0.01 0.00 0.56 0.00 0.00 36.38 36.77 1wg4 s VAL 55 CO -0.09 0.01 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.93 1wg4 s GLU 56 N 0.20 3.12 0.46 4.82 2.02 -0.91 -0.26 118.70 128.15 1wg4 s GLU 56 Ca -0.01 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1wg4 s GLU 56 Cb -0.02 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 1wg4 s GLU 56 CO -0.01 -0.07 0.70 0.71 0.02 0.00 0.00 175.26 176.62 1wg4 s TYR 57 N 1.01 3.36 -0.01 1.61 2.02 0.10 -2.12 117.35 123.33 1wg4 s TYR 57 Ca -0.02 0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 57.02 1wg4 s TYR 57 Cb -0.15 -2.28 -0.32 0.00 -0.40 0.00 0.00 41.96 38.81 1wg4 s TYR 57 CO -0.04 -0.31 0.83 -0.07 -1.57 0.00 0.00 175.55 174.39 1wg4 h LEU 58 N 0.35 0.63 0.00 -1.29 -0.00 -1.84 -3.40 115.31 109.76 1wg4 h LEU 58 Ca -0.47 -0.82 -0.22 0.00 -0.00 0.00 0.00 57.88 56.37 1wg4 h LEU 58 Cb 1.24 -0.21 0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1wg4 h LEU 58 CO 0.60 1.67 -0.03 0.54 -0.00 0.00 0.00 178.44 181.22 1wg4 n ARG 59 N -3.60 0.81 -0.10 1.13 5.12 -1.26 -4.71 116.66 114.05 1wg4 n ARG 59 Ca -0.20 -1.42 -0.13 0.00 -1.93 0.00 0.00 57.85 54.17 1wg4 n ARG 59 Cb 1.08 -0.12 -0.04 0.00 -1.16 0.00 0.00 32.46 32.22 1wg4 n ARG 59 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1wg4 n LYS 60 N -1.59 0.54 -0.29 5.56 4.81 -1.26 -4.28 118.16 121.65 1wg4 n LYS 60 Ca 0.08 0.24 0.02 0.00 -0.87 0.00 0.00 58.31 57.77 1wg4 n LYS 60 Cb 0.27 -1.46 0.10 0.00 0.02 0.00 0.00 35.03 33.96 1wg4 n LYS 60 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1wg4 h GLU 61 N -1.00 -0.01 -0.74 1.64 4.81 -1.99 0.58 114.58 117.88 1wg4 h GLU 61 Ca -0.14 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.25 1wg4 h GLU 61 Cb 1.10 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 1wg4 h GLU 61 CO -0.09 -0.01 -0.09 0.38 -0.73 0.00 0.00 179.01 178.48 1wg4 h ASP 62 N -0.01 -0.51 0.25 1.04 3.04 -1.92 1.36 116.42 119.68 1wg4 h ASP 62 Ca 0.39 0.21 -0.01 0.00 -3.24 0.00 0.00 57.03 54.37 1wg4 h ASP 62 Cb 0.60 0.40 -0.01 0.00 -1.04 0.00 0.00 39.33 39.28 1wg4 h ASP 62 CO -0.84 -0.21 -0.21 -0.03 -2.04 0.00 0.00 179.24 175.91 1wg4 h MET 63 N 0.05 -0.43 -0.66 4.15 4.05 -0.04 0.28 114.93 122.33 1wg4 h MET 63 Ca 0.38 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.95 1wg4 h MET 63 Cb 0.63 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.44 1wg4 h MET 63 CO -0.71 -0.29 0.22 0.93 0.23 0.00 0.00 176.91 177.29 1wg4 h GLU 64 N -0.45 0.36 0.04 0.39 5.08 -0.72 0.48 114.58 119.76 1wg4 h GLU 64 Ca -0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1wg4 h GLU 64 Cb 0.38 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1wg4 h GLU 64 CO 0.00 0.24 -0.44 -0.92 -1.00 0.00 0.00 179.01 176.89 1wg4 h TYR 65 N 0.37 -1.29 -0.90 4.33 5.03 0.20 0.27 116.97 124.99 1wg4 h TYR 65 Ca 0.35 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.71 1wg4 h TYR 65 Cb 0.50 0.56 -0.04 0.00 1.55 0.00 0.00 36.73 39.29 1wg4 h TYR 65 CO -0.20 -0.48 0.59 0.00 -1.32 0.00 0.00 178.16 176.75 1wg4 h ALA 66 N -0.66 1.36 -0.11 1.82 0.00 -0.44 0.63 119.26 121.86 1wg4 h ALA 66 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wg4 h ALA 66 Cb 0.61 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1wg4 h ALA 66 CO -0.27 0.59 -0.33 -0.07 0.00 0.00 0.00 179.25 179.17 1wg4 h LEU 67 N 1.21 -1.02 0.07 0.00 3.38 0.11 0.48 115.31 119.53 1wg4 h LEU 67 Ca 0.33 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 1wg4 h LEU 67 Cb -0.14 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wg4 h LEU 67 CO -0.07 -0.37 -0.03 0.03 0.09 0.00 0.00 178.44 178.09 1wg4 h ARG 68 N -0.42 -0.09 -0.76 1.13 2.47 -0.01 0.62 114.38 117.32 1wg4 h ARG 68 Ca 0.09 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.89 1wg4 h ARG 68 Cb 0.56 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.80 1wg4 h ARG 68 CO -0.34 -0.06 -0.44 1.63 0.56 0.00 0.00 179.97 181.32 1wg4 n LYS 69 N -2.65 -0.32 0.30 0.04 4.01 0.22 -0.97 118.16 118.78 1wg4 n LYS 69 Ca -0.01 1.15 -0.12 0.00 -0.51 0.00 0.00 58.31 58.82 1wg4 n LYS 69 Cb 0.04 -1.70 -0.06 0.00 -0.51 0.00 0.00 35.03 32.80 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 -0.67 0.00 -0.35 3.38 -0.17 -3.46 115.31 114.04 1wg4 h LEU 70 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wg4 h LEU 70 Cb 0.33 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wg4 h LEU 70 CO -0.72 -0.34 0.00 -0.67 0.09 0.00 0.00 178.44 176.80 1wg4 n ASP 71 N -4.95 0.00 -1.74 -0.43 2.03 0.22 -3.46 116.55 108.22 1wg4 n ASP 71 Ca -0.10 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.20 1wg4 n ASP 71 Cb 0.31 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.78 -1.75 -4.31 1.67 -0.08 -1.18 -4.82 116.55 106.86 1wg4 n ASP 72 Ca 0.00 0.35 -0.16 0.00 -1.51 0.00 0.00 54.79 53.47 1wg4 n ASP 72 Cb 0.00 -2.07 -0.10 0.00 2.34 0.00 0.00 41.12 41.29 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 -0.16 0.68 -0.56 5.18 -4.23 0.22 -4.93 115.64 111.84 1wg4 s THR 73 Ca -0.07 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.27 1wg4 s THR 73 Cb 0.00 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.44 1wg4 s THR 73 CO 0.18 -0.13 0.60 -0.75 -0.54 0.00 0.00 174.62 173.98 1wg4 s LYS 74 N -3.98 3.02 -0.13 3.99 2.20 -1.26 -0.92 119.74 122.66 1wg4 s LYS 74 Ca 0.34 -1.44 -0.21 0.00 -0.36 0.00 0.00 55.97 54.29 1wg4 s LYS 74 Cb 0.07 -4.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 1wg4 s LYS 74 CO 0.11 -1.40 0.62 0.12 -0.36 0.00 0.00 175.35 174.45 1wg4 s PHE 75 N 2.18 3.48 -0.36 4.03 5.36 0.15 -4.87 117.98 127.95 1wg4 s PHE 75 Ca 0.08 1.04 -0.16 0.00 -0.96 0.00 0.00 56.93 56.93 1wg4 s PHE 75 Cb -0.26 -2.75 -0.00 0.00 -0.34 0.00 0.00 43.02 39.67 1wg4 s PHE 75 CO 0.05 -0.00 0.40 0.50 -1.46 0.00 0.00 175.22 174.71 1wg4 s ARG 76 N 1.23 3.46 0.81 10.12 3.52 -1.26 -0.79 118.95 136.03 1wg4 s ARG 76 Ca 0.31 -0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 1wg4 s ARG 76 Cb -0.16 -3.84 0.08 0.00 -1.56 0.00 0.00 34.95 29.47 1wg4 s ARG 76 CO 0.13 -0.61 1.12 -1.54 -0.81 0.00 0.00 175.30 173.59 1wg4 s SER 77 N 1.75 3.93 0.35 -2.12 1.04 0.44 -4.84 113.70 114.25 1wg4 s SER 77 Ca 0.13 2.03 0.25 0.00 0.48 0.00 0.00 55.95 58.83 1wg4 s SER 77 Cb -0.17 -2.55 1.27 0.00 0.10 0.00 0.00 66.02 64.68 1wg4 s SER 77 CO 0.12 -2.43 1.76 1.12 0.98 0.00 0.00 173.24 174.79 1wg4 h HIS 78 N -1.24 0.00 -0.32 5.02 -0.00 -1.85 0.37 115.15 117.13 1wg4 h HIS 78 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1wg4 h HIS 78 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1wg4 h HIS 78 CO 0.54 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 178.86 1wg4 n GLU 79 N -2.37 2.14 0.00 5.12 -0.58 -1.26 -4.93 120.64 118.76 1wg4 n GLU 79 Ca -0.01 -1.72 0.00 0.00 -0.42 0.00 0.00 57.16 55.01 1wg4 n GLU 79 Cb 0.09 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.32 2.51 3.49 0.62 0.00 0.13 -5.01 105.19 108.25 1wg4 n GLY 80 Ca 0.18 -0.61 -0.50 0.00 0.00 0.00 0.00 46.02 45.08 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 0.45 -4.68 1.61 1.02 -1.26 -4.20 120.64 113.58 1wg4 n GLU 81 Ca 0.00 0.16 -0.32 0.00 -0.02 0.00 0.00 57.16 56.98 1wg4 n GLU 81 Cb 0.00 -1.42 -0.12 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.62 3.09 0.10 2.62 -4.23 -1.26 0.17 115.64 115.50 1wg4 s THR 82 Ca 0.71 -0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1wg4 s THR 82 Cb -0.95 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 1wg4 s THR 82 CO 0.56 0.43 0.18 -0.44 -0.54 0.00 0.00 174.62 174.80 1wg4 s SER 83 N -1.22 0.15 -0.27 3.99 0.01 0.03 -4.97 113.70 111.41 1wg4 s SER 83 Ca 0.14 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.51 1wg4 s SER 83 Cb -0.11 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1wg4 s SER 83 CO 0.04 -0.75 0.27 -0.31 0.41 0.00 0.00 173.24 172.91 1wg4 s TYR 84 N -3.90 3.24 -0.13 2.43 1.51 -1.25 0.34 117.35 119.59 1wg4 s TYR 84 Ca 0.09 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 1wg4 s TYR 84 Cb 0.05 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 1wg4 s TYR 84 CO -0.08 -0.18 -0.13 0.96 -1.11 0.00 0.00 175.55 175.01 1wg4 s ILE 85 N 1.86 3.01 0.09 2.71 -4.36 -0.09 -4.37 121.20 120.06 1wg4 s ILE 85 Ca 0.11 -0.68 -0.11 0.00 -0.26 0.00 0.00 60.65 59.71 1wg4 s ILE 85 Cb -0.16 -2.26 -0.06 0.00 1.25 0.00 0.00 42.46 41.23 1wg4 s ILE 85 CO 0.10 0.53 0.43 -0.13 0.24 0.00 0.00 174.94 176.11 1wg4 s ARG 86 N 0.33 3.82 -0.21 0.37 1.81 -0.52 -0.61 118.95 123.94 1wg4 s ARG 86 Ca -0.11 0.26 -0.02 0.00 -1.72 0.00 0.00 55.73 54.13 1wg4 s ARG 86 Cb -0.16 -3.00 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1wg4 s ARG 86 CO 0.06 0.55 -0.09 0.08 -0.68 0.00 0.00 175.30 175.22 1wg4 s VAL 87 N -1.39 2.96 0.07 3.52 1.01 -1.26 -2.94 120.40 122.36 1wg4 s VAL 87 Ca 0.33 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1wg4 s VAL 87 Cb -0.14 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1wg4 s VAL 87 CO 0.18 0.46 0.33 -0.72 0.00 0.00 0.00 175.10 175.35 1wg4 s TYR 88 N 1.41 -0.13 0.94 5.22 1.13 -0.90 -4.50 117.35 120.52 1wg4 s TYR 88 Ca 0.05 -0.07 -0.13 0.00 -1.41 0.00 0.00 57.07 55.51 1wg4 s TYR 88 Cb -0.14 0.14 0.16 0.00 -1.10 0.00 0.00 41.96 41.02 1wg4 s TYR 88 CO -0.06 -0.57 1.15 -1.25 -2.51 0.00 0.00 175.55 172.31 1wg4 s PRO 89 N -3.02 0.91 -0.28 -3.49 0.04 -1.26 0.94 135.00 128.84 1wg4 s PRO 89 Ca -0.02 0.20 -0.26 0.00 0.04 0.00 0.00 61.00 60.97 1wg4 s PRO 89 Cb 0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1wg4 s PRO 89 CO -0.06 -2.34 0.90 -2.00 0.04 0.00 0.00 177.00 173.53 1wg4 s GLU 90 N -5.34 4.10 -0.03 4.56 -6.30 -1.26 -4.70 118.70 109.73 1wg4 s GLU 90 Ca 0.65 0.92 -0.28 0.00 -2.50 0.00 0.00 54.97 53.76 1wg4 s GLU 90 Cb -0.13 -3.69 0.06 0.00 0.00 0.00 0.00 34.13 30.37 1wg4 s GLU 90 CO 0.53 -0.66 0.62 0.50 0.02 0.00 0.00 175.26 176.27 1wg4 s ARG 91 N 3.09 1.02 -0.12 4.30 6.06 -1.26 -5.09 118.95 126.96 1wg4 s ARG 91 Ca 0.37 0.12 -0.05 0.00 -2.50 0.00 0.00 55.73 53.68 1wg4 s ARG 91 Cb -0.14 0.48 -0.02 0.00 0.06 0.00 0.00 34.95 35.33 1wg4 s ARG 91 CO 0.10 -0.33 -0.10 1.03 -2.50 0.00 0.00 175.30 173.50 1wg4 h SER 92 N 3.03 0.00 -4.70 -2.12 0.87 -2.07 -3.50 113.55 105.07 1wg4 h SER 92 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1wg4 h SER 92 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1wg4 h SER 92 CO 0.39 0.61 -0.43 -1.20 -0.53 0.00 0.00 176.83 175.66 1wg4 n SER 93 N -4.50 -6.49 0.00 6.23 7.64 -1.26 -5.07 113.62 110.16 1wg4 n SER 93 Ca -0.04 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1wg4 n SER 93 Cb 0.15 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 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 -0.21 1.73 3.68 0.23 0.00 -1.26 -5.06 105.19 104.29 1wg4 n GLY 94 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1wg4 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg4 s PRO 95 N 3.00 4.30 -0.09 1.61 0.04 -1.26 -4.98 135.00 137.61 1wg4 s PRO 95 Ca 0.00 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1wg4 s PRO 95 Cb 0.00 -3.64 0.12 0.00 0.04 0.00 0.00 34.50 31.01 1wg4 s PRO 95 CO 0.00 -0.56 0.95 0.45 0.04 0.00 0.00 177.00 177.89 1wg4 s SER 96 N 1.71 -0.36 -0.09 6.66 0.15 -1.26 -5.08 113.70 115.42 1wg4 s SER 96 Ca 0.56 0.21 -0.05 0.00 0.70 0.00 0.00 55.95 57.38 1wg4 s SER 96 Cb -0.24 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1wg4 s SER 96 CO 0.19 -0.46 0.16 -1.28 1.20 0.00 0.00 173.24 173.05 1wg4 h SER 97 N 2.30 -0.06 0.00 5.45 0.87 -2.07 -3.55 113.55 116.48 1wg4 h SER 97 Ca -0.20 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1wg4 h SER 97 Cb 1.20 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1wg4 h SER 97 CO 0.31 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.68