#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg4 s SER 2 N 0.00 6.36 0.23 1.61 0.15 -1.26 -4.73 113.70 116.06 1wg4 s SER 2 Ca 0.00 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.40 1wg4 s SER 2 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wg4 s SER 2 CO 0.00 -1.44 0.00 -0.24 1.20 0.00 0.00 173.24 172.76 1wg4 n SER 3 N 7.99 -7.32 -0.69 5.45 2.88 -1.26 -5.03 113.62 115.65 1wg4 n SER 3 Ca 0.12 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1wg4 n SER 3 Cb 0.48 -3.64 0.00 0.00 -0.75 0.00 0.00 64.21 60.31 1wg4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 4 N 0.69 -1.63 3.97 0.46 0.00 -1.26 -5.09 105.19 102.33 1wg4 n GLY 4 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 1wg4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg4 s SER 5 N 0.00 5.10 -0.51 1.61 0.15 -1.26 -4.67 113.70 114.12 1wg4 s SER 5 Ca 0.00 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.66 1wg4 s SER 5 Cb 0.00 -0.77 0.16 0.00 -1.71 0.00 0.00 66.02 63.71 1wg4 s SER 5 CO 0.00 -1.29 0.37 -0.55 1.20 0.00 0.00 173.24 172.98 1wg4 s SER 6 N -4.48 2.87 0.05 5.45 0.15 -1.26 -5.10 113.70 111.39 1wg4 s SER 6 Ca 0.59 -3.23 0.07 0.00 0.70 0.00 0.00 55.95 54.07 1wg4 s SER 6 Cb -0.10 -0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 1wg4 s SER 6 CO 0.40 -0.16 -0.19 -0.83 1.20 0.00 0.00 173.24 173.66 1wg4 s GLY 7 N -0.35 1.03 0.00 9.45 0.00 -1.26 -5.01 107.32 111.18 1wg4 s GLY 7 Ca 0.28 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1wg4 s GLY 7 CO -0.15 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 172.60 1wg4 n GLY 8 N 1.78 1.00 3.80 0.20 0.00 -1.26 -5.11 105.19 105.60 1wg4 n GLY 8 Ca -0.18 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.15 3.75 -0.54 1.61 0.04 -1.26 -4.96 135.00 133.48 1wg4 s PRO 9 Ca 0.00 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 1wg4 s PRO 9 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1wg4 s PRO 9 CO 0.00 -0.47 1.48 -1.25 0.04 0.00 0.00 177.00 176.81 1wg4 s PRO 10 N -3.34 3.25 1.16 0.56 0.04 -1.26 -4.99 135.00 130.42 1wg4 s PRO 10 Ca 0.67 0.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1wg4 s PRO 10 Cb -0.16 -4.15 0.28 0.00 0.04 0.00 0.00 34.50 30.50 1wg4 s PRO 10 CO 0.22 -1.99 0.99 2.41 0.04 0.00 0.00 177.00 178.67 1wg4 n THR 11 N 6.94 0.00 -1.40 1.26 -1.04 -1.26 -5.06 114.28 113.72 1wg4 n THR 11 Ca 0.14 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1wg4 n THR 11 Cb 0.49 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1wg4 n THR 11 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1wg4 n ARG 12 N -4.84 3.93 -0.84 -2.82 0.63 -1.26 -4.72 116.66 106.74 1wg4 n ARG 12 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1wg4 n ARG 12 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1wg4 n ARG 12 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wg4 n ARG 13 N 0.00 -0.26 0.00 -0.14 5.12 -1.26 -4.85 116.66 115.28 1wg4 n ARG 13 Ca 0.00 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1wg4 n ARG 13 Cb 0.00 -3.54 0.00 0.00 -1.16 0.00 0.00 32.46 27.76 1wg4 n ARG 13 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1wg4 n SER 14 N -0.13 0.00 -0.39 0.55 3.41 -1.26 -4.89 113.62 110.90 1wg4 n SER 14 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1wg4 n SER 14 Cb 0.06 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1wg4 n SER 14 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wg4 n ASP 15 N 0.00 0.33 -3.93 4.04 9.92 -1.26 -4.97 116.55 120.69 1wg4 n ASP 15 Ca 0.00 -2.06 -0.30 0.00 -0.53 0.00 0.00 54.79 51.90 1wg4 n ASP 15 Cb 0.00 -0.21 -0.15 0.00 -0.64 0.00 0.00 41.12 40.12 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 -0.39 2.48 0.38 1.24 0.40 -1.26 -5.07 117.98 115.75 1wg4 s PHE 16 Ca 0.04 -1.90 0.06 0.00 -0.60 0.00 0.00 56.93 54.53 1wg4 s PHE 16 Cb 0.04 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 1wg4 s PHE 16 CO 0.00 -0.81 0.21 -0.98 0.70 0.00 0.00 175.22 174.35 1wg4 s ARG 17 N 1.36 1.87 0.05 0.44 1.04 -1.26 0.13 118.95 122.58 1wg4 s ARG 17 Ca -0.02 -2.12 0.03 0.00 -1.04 0.00 0.00 55.73 52.58 1wg4 s ARG 17 Cb -0.19 -0.12 -0.02 0.00 -2.04 0.00 0.00 34.95 32.58 1wg4 s ARG 17 CO -0.08 -0.59 -0.10 0.14 -0.04 0.00 0.00 175.30 174.63 1wg4 s VAL 18 N -3.31 0.73 -0.27 4.99 -7.23 -0.28 -4.83 120.40 110.19 1wg4 s VAL 18 Ca 0.32 -1.07 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 1wg4 s VAL 18 Cb 0.02 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 1wg4 s VAL 18 CO 0.21 -0.27 0.19 -0.76 -0.31 0.00 0.00 175.10 174.16 1wg4 s LEU 19 N -1.47 4.04 -0.13 1.32 1.43 0.15 -2.95 118.68 121.05 1wg4 s LEU 19 Ca -0.06 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1wg4 s LEU 19 Cb -0.09 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1wg4 s LEU 19 CO 0.01 -0.03 0.03 -0.69 0.23 0.00 0.00 176.35 175.90 1wg4 s VAL 20 N 1.64 4.51 0.03 -1.59 1.01 -0.24 -2.36 120.40 123.39 1wg4 s VAL 20 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1wg4 s VAL 20 Cb -0.16 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1wg4 s VAL 20 CO 0.10 0.54 0.00 -0.94 0.00 0.00 0.00 175.10 174.80 1wg4 s SER 21 N -0.24 0.27 0.00 3.32 1.04 -1.18 0.12 113.70 117.03 1wg4 s SER 21 Ca 0.07 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1wg4 s SER 21 Cb -0.12 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1wg4 s SER 21 CO 0.02 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1wg4 n GLY 22 N 1.17 0.66 3.92 7.32 0.00 0.52 -1.74 105.19 117.04 1wg4 n GLY 22 Ca -0.21 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.38 3.90 0.95 0.99 1.43 0.31 -3.75 118.68 121.13 1wg4 s LEU 23 Ca 0.00 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 1wg4 s LEU 23 Cb 0.00 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.81 1wg4 s LEU 23 CO 0.00 -0.36 1.16 -2.16 0.23 0.00 0.00 176.35 175.22 1wg4 s PRO 24 N -4.24 0.83 0.40 1.29 0.04 -1.26 -4.39 135.00 127.67 1wg4 s PRO 24 Ca 0.44 0.17 0.21 0.00 0.04 0.00 0.00 61.00 61.86 1wg4 s PRO 24 Cb -0.10 -1.81 0.61 0.00 0.04 0.00 0.00 34.50 33.24 1wg4 s PRO 24 CO 0.37 -2.39 1.69 -1.00 0.04 0.00 0.00 177.00 175.71 1wg4 h PRO 25 N -1.63 0.00 -0.02 0.56 0.13 -1.98 -2.91 132.00 126.15 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 0.56 0.27 -0.33 0.43 -0.23 0.00 0.00 178.00 178.70 1wg4 n SER 26 N -3.30 2.05 -4.66 1.44 7.64 -1.26 -4.99 113.62 110.54 1wg4 n SER 26 Ca 0.01 -1.52 -0.39 0.00 1.01 0.00 0.00 58.87 57.98 1wg4 n SER 26 Cb 0.53 0.38 0.04 0.00 -1.01 0.00 0.00 64.21 64.15 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 1.28 0.12 2.87 0.23 0.00 -1.10 -4.33 105.19 104.27 1wg4 n GLY 27 Ca 0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1wg4 n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg4 n SER 28 N -0.58 0.96 0.03 1.61 7.64 -1.26 -4.92 113.62 117.10 1wg4 n SER 28 Ca 0.11 -2.87 -0.21 0.00 1.01 0.00 0.00 58.87 56.91 1wg4 n SER 28 Cb 0.44 0.96 -0.14 0.00 -1.01 0.00 0.00 64.21 64.46 1wg4 n SER 28 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1wg4 h TRP 29 N 1.62 0.56 0.00 1.43 5.08 -1.91 -3.11 115.95 119.62 1wg4 h TRP 29 Ca -0.26 -0.41 0.00 0.00 1.08 0.00 0.00 58.89 59.30 1wg4 h TRP 29 Cb 1.04 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1wg4 h TRP 29 CO 0.00 1.70 0.00 0.94 -1.28 0.00 0.00 178.44 179.80 1wg4 n GLN 30 N -3.51 0.00 -0.31 0.12 7.27 -1.26 0.13 117.38 119.83 1wg4 n GLN 30 Ca -0.28 0.70 0.12 0.00 0.07 0.00 0.00 57.00 57.61 1wg4 n GLN 30 Cb 1.06 -1.47 0.35 0.00 2.41 0.00 0.00 30.24 32.59 1wg4 n GLN 30 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1wg4 h ASP 31 N 0.00 0.71 0.26 1.69 5.19 -1.95 -0.46 116.42 121.86 1wg4 h ASP 31 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1wg4 h ASP 31 Cb 0.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1wg4 h ASP 31 CO 0.00 0.33 -0.29 0.25 -3.12 0.00 0.00 179.24 176.41 1wg4 h LEU 32 N 0.74 -0.79 0.36 1.55 6.46 -1.27 -1.63 115.31 120.73 1wg4 h LEU 32 Ca 0.49 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.33 1wg4 h LEU 32 Cb 0.78 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1wg4 h LEU 32 CO -0.26 -0.41 -0.50 0.50 -0.62 0.00 0.00 178.44 177.16 1wg4 h LYS 33 N -0.59 -0.87 -1.44 1.25 3.64 0.26 0.91 116.57 119.73 1wg4 h LYS 33 Ca -0.00 0.06 0.42 0.00 -1.27 0.00 0.00 60.65 59.85 1wg4 h LYS 33 Cb 0.56 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1wg4 h LYS 33 CO -0.08 -0.58 1.22 -0.44 -2.27 0.00 0.00 179.45 177.31 1wg4 h ASP 34 N -0.90 0.00 0.00 4.20 5.19 -0.96 1.81 116.42 125.77 1wg4 h ASP 34 Ca -0.04 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.29 1wg4 h ASP 34 Cb 0.82 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1wg4 h ASP 34 CO -0.14 0.00 -0.65 -0.74 -3.12 0.00 0.00 179.24 174.59 1wg4 h HIS 35 N 0.00 0.00 -0.82 4.55 2.76 0.33 -3.37 115.15 118.59 1wg4 h HIS 35 Ca 0.68 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.96 1wg4 h HIS 35 Cb 3.12 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 32.02 1wg4 h HIS 35 CO 0.00 0.63 0.54 0.52 -1.30 0.00 0.00 177.93 178.31 1wg4 h MET 36 N -1.00 0.71 -0.76 5.26 2.86 0.52 -0.40 114.93 122.12 1wg4 h MET 36 Ca -0.12 -0.04 0.22 0.00 -2.06 0.00 0.00 59.70 57.69 1wg4 h MET 36 Cb 0.77 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1wg4 h MET 36 CO -0.07 0.47 0.97 0.00 1.06 0.00 0.00 176.91 179.34 1wg4 h ARG 37 N 0.74 0.00 -0.60 1.72 2.47 0.23 -1.41 114.38 117.53 1wg4 h ARG 37 Ca 0.39 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.35 1wg4 h ARG 37 Cb 0.50 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.71 1wg4 h ARG 37 CO -0.16 0.00 0.30 0.39 0.56 0.00 0.00 179.97 181.06 1wg4 n GLU 38 N -3.29 -0.04 0.00 0.04 -0.58 -0.16 -0.30 120.64 116.31 1wg4 n GLU 38 Ca 0.16 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.73 1wg4 n GLU 38 Cb 1.22 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 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 -0.16 -2.01 0.62 0.00 -0.53 -4.96 120.51 110.85 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 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 3.26 3.42 0.00 0.00 0.59 -4.94 105.19 107.20 1wg4 n GLY 40 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 1.53 4.80 0.00 1.61 2.15 -1.26 -4.68 116.67 120.82 1wg4 s ASP 41 Ca 0.00 -0.24 -0.24 0.00 0.43 0.00 0.00 52.55 52.50 1wg4 s ASP 41 Cb 0.00 -1.83 -0.05 0.00 -0.30 0.00 0.00 42.92 40.74 1wg4 s ASP 41 CO 0.00 0.02 0.72 -0.69 -0.17 0.00 0.00 175.17 175.05 1wg4 s VAL 42 N 1.26 4.86 -0.11 1.11 1.01 -1.26 -3.52 120.40 123.74 1wg4 s VAL 42 Ca 0.04 1.52 0.09 0.00 0.00 0.00 0.00 61.98 63.63 1wg4 s VAL 42 Cb -0.15 -4.07 -0.24 0.00 0.00 0.00 0.00 36.38 31.93 1wg4 s VAL 42 CO 0.01 0.34 0.39 0.00 0.00 0.00 0.00 175.10 175.84 1wg4 s TYR 44 N -2.56 0.10 -0.19 0.00 5.04 -1.19 -5.00 117.35 113.55 1wg4 s TYR 44 Ca -0.12 -0.26 -0.08 0.00 -2.44 0.00 0.00 57.07 54.17 1wg4 s TYR 44 Cb 0.07 -0.08 0.08 0.00 0.35 0.00 0.00 41.96 42.39 1wg4 s TYR 44 CO 0.80 -0.30 0.42 0.00 -1.34 0.00 0.00 175.55 175.13 1wg4 s ALA 45 N -1.71 -1.15 0.12 3.97 0.00 -1.26 -1.55 121.76 120.19 1wg4 s ALA 45 Ca -0.12 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.40 1wg4 s ALA 45 Cb -0.06 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1wg4 s ALA 45 CO -0.00 -0.64 -0.08 0.34 0.00 0.00 0.00 175.76 175.38 1wg4 s ASP 46 N 2.31 1.44 -0.01 0.00 2.15 0.57 -4.92 116.67 118.21 1wg4 s ASP 46 Ca -0.04 -1.02 -0.01 0.00 0.43 0.00 0.00 52.55 51.91 1wg4 s ASP 46 Cb -0.11 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.56 1wg4 s ASP 46 CO -0.13 -0.41 0.03 0.54 -0.17 0.00 0.00 175.17 175.03 1wg4 s VAL 47 N -3.49 0.00 0.41 1.11 0.11 -1.26 -0.78 120.40 116.50 1wg4 s VAL 47 Ca 0.15 -0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1wg4 s VAL 47 Cb 0.04 -0.06 -0.06 0.00 -1.53 0.00 0.00 36.38 34.77 1wg4 s VAL 47 CO -0.02 -0.01 0.14 -1.10 -3.33 0.00 0.00 175.10 170.78 1wg4 s GLN 48 N -0.03 2.16 1.25 1.54 -1.52 0.48 -4.98 119.66 118.56 1wg4 s GLN 48 Ca -0.00 -1.91 -0.20 0.00 -1.95 0.00 0.00 55.36 51.29 1wg4 s GLN 48 Cb -0.00 -1.90 0.31 0.00 -0.22 0.00 0.00 33.01 31.19 1wg4 s GLN 48 CO 0.00 -0.11 1.10 -1.59 -0.25 0.00 0.00 175.29 174.44 1wg4 s LYS 49 N -3.86 -1.58 0.00 2.91 0.00 -1.26 -3.34 119.74 112.61 1wg4 s LYS 49 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.22 1wg4 s LYS 49 Cb 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 37.83 36.32 1wg4 s LYS 49 CO 0.21 -3.93 0.00 -3.47 0.00 0.00 0.00 175.35 168.16 1wg4 n ASP 50 N -4.90 0.00 0.00 0.03 2.03 -1.26 -3.23 116.55 109.22 1wg4 n ASP 50 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1wg4 n ASP 50 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 3.48 0.27 0.00 -1.25 -4.64 105.19 103.05 1wg4 n GLY 51 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.73 0.20 1.61 -1.94 -1.20 0.19 119.30 119.90 1wg4 s MET 52 Ca 0.00 -1.41 -0.06 0.00 -1.71 0.00 0.00 55.69 52.51 1wg4 s MET 52 Cb 0.00 -1.98 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 1wg4 s MET 52 CO 0.00 0.42 0.26 0.20 -0.01 0.00 0.00 175.02 175.89 1wg4 s GLY 53 N -2.68 0.97 -0.21 -0.03 0.00 0.33 -0.38 107.32 105.30 1wg4 s GLY 53 Ca 0.22 -1.29 -0.12 0.00 0.00 0.00 0.00 44.72 43.52 1wg4 s GLY 53 CO 0.12 -1.06 0.52 -0.29 0.00 0.00 0.00 173.10 172.39 1wg4 s MET 54 N -4.08 0.52 -0.03 2.90 1.75 0.04 -1.08 119.30 119.32 1wg4 s MET 54 Ca 0.29 0.95 0.01 0.00 -1.25 0.00 0.00 55.69 55.70 1wg4 s MET 54 Cb 0.04 0.05 0.02 0.00 2.84 0.00 0.00 34.83 37.78 1wg4 s MET 54 CO 0.08 -0.15 -0.04 0.14 -0.65 0.00 0.00 175.02 174.40 1wg4 s VAL 55 N 1.45 0.48 -0.31 10.11 -7.23 -1.15 -0.32 120.40 123.42 1wg4 s VAL 55 Ca -0.09 -0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 1wg4 s VAL 55 Cb -0.07 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1wg4 s VAL 55 CO -0.15 0.19 0.13 -1.61 -0.31 0.00 0.00 175.10 173.36 1wg4 s GLU 56 N 0.69 3.19 0.70 4.82 2.02 -0.60 -1.12 118.70 128.41 1wg4 s GLU 56 Ca -0.09 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 1wg4 s GLU 56 Cb -0.12 -3.52 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1wg4 s GLU 56 CO -0.00 -0.46 1.01 0.71 0.02 0.00 0.00 175.26 176.54 1wg4 s TYR 57 N 1.57 2.92 -0.89 1.61 2.02 0.36 -1.23 117.35 123.71 1wg4 s TYR 57 Ca 0.04 0.44 0.13 0.00 -0.37 0.00 0.00 57.07 57.31 1wg4 s TYR 57 Cb -0.17 -3.18 0.41 0.00 -0.40 0.00 0.00 41.96 38.61 1wg4 s TYR 57 CO 0.05 -1.39 1.34 1.28 -1.57 0.00 0.00 175.55 175.26 1wg4 n LEU 58 N -2.91 3.34 -3.74 -1.29 4.77 -1.23 -4.33 117.00 111.61 1wg4 n LEU 58 Ca 0.08 -2.22 -0.12 0.00 -0.03 0.00 0.00 56.01 53.71 1wg4 n LEU 58 Cb 0.60 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1wg4 n LEU 58 CO 0.52 0.75 -0.00 -0.13 -1.33 0.00 0.00 177.39 177.20 1wg4 s ARG 59 N -1.40 0.37 0.05 3.23 1.81 -1.26 -5.06 118.95 116.68 1wg4 s ARG 59 Ca 0.31 0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 54.55 1wg4 s ARG 59 Cb 0.19 0.10 -0.18 0.00 -0.45 0.00 0.00 34.95 34.61 1wg4 s ARG 59 CO 0.17 -0.09 1.47 -0.22 -0.68 0.00 0.00 175.30 175.95 1wg4 h LYS 60 N 6.16 -0.85 -0.63 3.54 3.64 -1.93 -2.06 116.57 124.44 1wg4 h LYS 60 Ca -0.31 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1wg4 h LYS 60 Cb 1.18 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 33.07 1wg4 h LYS 60 CO 0.31 -0.54 -0.20 0.93 -2.27 0.00 0.00 179.45 177.68 1wg4 h GLU 61 N -0.99 -0.04 -0.70 1.90 4.39 -1.99 0.37 114.58 117.51 1wg4 h GLU 61 Ca -0.09 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.75 1wg4 h GLU 61 Cb 0.71 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.27 1wg4 h GLU 61 CO 0.15 -0.03 0.20 -0.44 -1.16 0.00 0.00 179.01 177.73 1wg4 h ASP 62 N -0.04 0.09 -0.06 1.42 3.32 -1.89 0.90 116.42 120.15 1wg4 h ASP 62 Ca 0.29 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.51 1wg4 h ASP 62 Cb 0.49 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1wg4 h ASP 62 CO -0.67 0.02 -0.34 -0.03 -1.72 0.00 0.00 179.24 176.51 1wg4 h MET 63 N 0.32 -0.44 -0.41 3.56 4.05 0.44 0.94 114.93 123.39 1wg4 h MET 63 Ca 0.38 0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.78 1wg4 h MET 63 Cb 0.61 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1wg4 h MET 63 CO -0.45 -0.29 0.05 0.93 0.23 0.00 0.00 176.91 177.38 1wg4 h GLU 64 N -0.45 0.69 -0.12 0.39 5.08 -0.55 -0.95 114.58 118.67 1wg4 h GLU 64 Ca 0.08 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1wg4 h GLU 64 Cb 0.57 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 1wg4 h GLU 64 CO -0.32 0.75 -0.51 -0.92 -1.00 0.00 0.00 179.01 177.01 1wg4 h TYR 65 N 0.53 -1.51 -0.86 4.33 5.03 0.14 0.28 116.97 124.91 1wg4 h TYR 65 Ca 0.12 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1wg4 h TYR 65 Cb 0.41 0.67 -0.04 0.00 1.55 0.00 0.00 36.73 39.32 1wg4 h TYR 65 CO 0.03 -0.53 0.51 0.00 -1.32 0.00 0.00 178.16 176.84 1wg4 h ALA 66 N -0.20 1.27 -0.07 1.82 0.00 -0.82 0.59 119.26 121.85 1wg4 h ALA 66 Ca 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wg4 h ALA 66 Cb 0.68 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1wg4 h ALA 66 CO -0.42 0.62 -0.34 -0.07 0.00 0.00 0.00 179.25 179.03 1wg4 h LEU 67 N 1.19 -1.05 0.09 0.00 3.38 0.33 0.49 115.31 119.75 1wg4 h LEU 67 Ca 0.31 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1wg4 h LEU 67 Cb -0.03 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wg4 h LEU 67 CO -0.06 -0.39 -0.05 0.03 0.09 0.00 0.00 178.44 178.07 1wg4 h ARG 68 N -0.45 -0.12 -0.67 1.13 2.47 -0.13 0.63 114.38 117.23 1wg4 h ARG 68 Ca 0.08 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.87 1wg4 h ARG 68 Cb 0.57 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.84 1wg4 h ARG 68 CO -0.33 -0.08 -0.40 1.63 0.56 0.00 0.00 179.97 181.35 1wg4 n LYS 69 N -2.78 -0.30 0.31 0.04 4.01 0.20 -1.25 118.16 118.40 1wg4 n LYS 69 Ca -0.02 1.14 -0.13 0.00 -0.51 0.00 0.00 58.31 58.80 1wg4 n LYS 69 Cb 0.05 -1.68 -0.06 0.00 -0.51 0.00 0.00 35.03 32.83 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 -0.69 -1.47 -0.35 3.38 -0.14 -3.46 115.31 112.58 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 0.28 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wg4 h LEU 70 CO -0.63 -0.41 0.00 -0.67 0.09 0.00 0.00 178.44 176.82 1wg4 n ASP 71 N -4.68 0.00 -1.00 -0.43 2.03 0.22 -3.58 116.55 109.11 1wg4 n ASP 71 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1wg4 n ASP 71 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.49 -1.88 -3.82 1.67 -0.08 -1.21 -4.79 116.55 106.93 1wg4 n ASP 72 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1wg4 n ASP 72 Cb 0.00 -0.94 -0.08 0.00 2.34 0.00 0.00 41.12 42.44 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 0.00 0.00 -0.52 5.18 -4.23 -0.71 -4.96 115.64 110.40 1wg4 s THR 73 Ca 0.00 -1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 1wg4 s THR 73 Cb 0.00 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.43 1wg4 s THR 73 CO 0.00 0.00 0.57 -0.75 -0.54 0.00 0.00 174.62 173.90 1wg4 s LYS 74 N -3.81 3.06 -0.26 3.99 2.20 -1.26 -2.26 119.74 121.40 1wg4 s LYS 74 Ca 0.37 -1.17 -0.16 0.00 -0.36 0.00 0.00 55.97 54.65 1wg4 s LYS 74 Cb 0.04 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 1wg4 s LYS 74 CO 0.17 -1.25 0.43 0.12 -0.36 0.00 0.00 175.35 174.47 1wg4 s PHE 75 N 2.29 3.27 -0.34 4.03 5.36 0.58 -4.90 117.98 128.27 1wg4 s PHE 75 Ca 0.10 0.53 -0.14 0.00 -0.96 0.00 0.00 56.93 56.46 1wg4 s PHE 75 Cb -0.23 -2.62 -0.01 0.00 -0.34 0.00 0.00 43.02 39.82 1wg4 s PHE 75 CO 0.09 -0.22 0.30 0.50 -1.46 0.00 0.00 175.22 174.43 1wg4 s ARG 76 N 2.05 3.51 1.03 10.12 3.52 -1.26 -0.97 118.95 136.95 1wg4 s ARG 76 Ca 0.18 -0.54 -0.13 0.00 -0.13 0.00 0.00 55.73 55.11 1wg4 s ARG 76 Cb -0.16 -3.81 0.21 0.00 -1.56 0.00 0.00 34.95 29.63 1wg4 s ARG 76 CO 0.09 -0.49 1.08 -1.54 -0.81 0.00 0.00 175.30 173.63 1wg4 s SER 77 N 1.73 2.30 0.25 -2.12 1.04 0.34 -4.87 113.70 112.36 1wg4 s SER 77 Ca 0.09 1.21 0.23 0.00 0.48 0.00 0.00 55.95 57.96 1wg4 s SER 77 Cb -0.17 -1.89 0.97 0.00 0.10 0.00 0.00 66.02 65.03 1wg4 s SER 77 CO 0.11 -3.34 1.70 0.00 0.98 0.00 0.00 173.24 172.69 1wg4 n HIS 78 N -4.31 0.78 1.02 5.02 1.44 -1.26 -1.24 115.22 116.66 1wg4 n HIS 78 Ca 0.05 0.31 0.11 0.00 -2.01 0.00 0.00 57.72 56.17 1wg4 n HIS 78 Cb 0.57 -1.00 0.33 0.00 0.12 0.00 0.00 29.99 30.01 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 -2.21 1.90 0.00 -1.40 -0.58 -1.26 -4.90 120.64 112.19 1wg4 n GLU 79 Ca 0.02 -1.36 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1wg4 n GLU 79 Cb 0.22 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.21 2.88 3.68 0.62 0.00 -0.37 -5.00 105.19 108.20 1wg4 n GLY 80 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.52 2.03 -4.39 1.61 1.02 -1.26 -4.49 120.64 114.63 1wg4 n GLU 81 Ca 0.00 0.72 -0.30 0.00 -0.02 0.00 0.00 57.16 57.56 1wg4 n GLU 81 Cb 0.00 -2.33 -0.12 0.00 -0.02 0.00 0.00 31.44 28.97 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 -0.48 2.83 0.17 2.62 -4.23 -1.26 0.13 115.64 115.42 1wg4 s THR 82 Ca 0.63 -1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.60 1wg4 s THR 82 Cb -0.62 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1wg4 s THR 82 CO 0.55 0.16 0.37 -0.44 -0.54 0.00 0.00 174.62 174.71 1wg4 s SER 83 N -1.96 -0.06 -0.37 3.99 0.01 -0.14 -4.97 113.70 110.19 1wg4 s SER 83 Ca 0.17 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 56.59 1wg4 s SER 83 Cb -0.11 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.63 1wg4 s SER 83 CO 0.09 -0.95 0.22 -0.31 0.41 0.00 0.00 173.24 172.70 1wg4 s TYR 84 N -3.93 3.23 -0.16 2.43 2.02 -1.26 -0.30 117.35 119.39 1wg4 s TYR 84 Ca 0.14 -0.79 -0.04 0.00 -0.37 0.00 0.00 57.07 56.00 1wg4 s TYR 84 Cb 0.02 -2.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1wg4 s TYR 84 CO -0.01 -0.59 -0.03 0.96 -1.57 0.00 0.00 175.55 174.30 1wg4 s ILE 85 N 1.60 3.97 0.14 2.71 -4.36 -0.96 -4.56 121.20 119.73 1wg4 s ILE 85 Ca 0.03 -0.33 -0.13 0.00 -0.26 0.00 0.00 60.65 59.96 1wg4 s ILE 85 Cb -0.19 -2.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.71 1wg4 s ILE 85 CO 0.07 0.49 0.52 -0.13 0.24 0.00 0.00 174.94 176.14 1wg4 s ARG 86 N 0.34 3.94 -0.27 0.37 1.81 -0.71 -1.73 118.95 122.69 1wg4 s ARG 86 Ca -0.03 0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 54.36 1wg4 s ARG 86 Cb -0.14 -2.94 0.02 0.00 -0.45 0.00 0.00 34.95 31.44 1wg4 s ARG 86 CO 0.03 0.49 0.02 0.08 -0.68 0.00 0.00 175.30 175.24 1wg4 s VAL 87 N -1.46 3.52 0.10 3.52 1.01 -1.26 -3.09 120.40 122.74 1wg4 s VAL 87 Ca 0.37 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1wg4 s VAL 87 Cb -0.15 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1wg4 s VAL 87 CO 0.19 0.13 0.12 -0.72 0.00 0.00 0.00 175.10 174.82 1wg4 s TYR 88 N 1.43 0.40 0.00 5.22 1.13 -0.99 -4.45 117.35 120.08 1wg4 s TYR 88 Ca 0.02 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 1wg4 s TYR 88 Cb -0.17 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1wg4 s TYR 88 CO -0.00 -0.52 0.00 -0.35 -2.51 0.00 0.00 175.55 172.16 1wg4 n PRO 89 N -0.04 -0.02 -3.62 -3.49 -0.04 -1.26 0.29 135.00 126.82 1wg4 n PRO 89 Ca -0.12 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.06 1wg4 n PRO 89 Cb 0.62 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.05 1wg4 n PRO 89 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wg4 s GLU 90 N -2.04 3.56 -0.52 0.54 2.12 -1.26 -4.48 118.70 116.62 1wg4 s GLU 90 Ca 0.00 -0.23 -0.21 0.00 0.36 0.00 0.00 54.97 54.89 1wg4 s GLU 90 Cb 0.00 -2.80 0.05 0.00 0.26 0.00 0.00 34.13 31.64 1wg4 s GLU 90 CO 0.00 0.37 0.76 0.50 -0.54 0.00 0.00 175.26 176.36 1wg4 s ARG 91 N -3.25 3.23 0.43 4.30 6.06 -1.26 -4.86 118.95 123.61 1wg4 s ARG 91 Ca 0.40 -0.57 0.00 0.00 -2.50 0.00 0.00 55.73 53.06 1wg4 s ARG 91 Cb -0.11 -4.06 0.00 0.00 0.06 0.00 0.00 34.95 30.83 1wg4 s ARG 91 CO 0.28 -1.32 0.00 0.45 -2.50 0.00 0.00 175.30 172.22 1wg4 n SER 92 N 6.74 -6.53 -4.02 -2.12 2.88 -1.26 -5.07 113.62 104.23 1wg4 n SER 92 Ca -0.02 1.28 -0.10 0.00 -1.33 0.00 0.00 58.87 58.70 1wg4 n SER 92 Cb 0.46 -3.56 -0.06 0.00 -0.75 0.00 0.00 64.21 60.31 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 -4.29 -0.04 0.00 -3.46 1.04 -1.26 -5.11 113.70 100.59 1wg4 s SER 93 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1wg4 s SER 93 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1wg4 s SER 93 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1wg4 n GLY 94 N -0.33 -1.23 0.18 7.32 0.00 -1.26 -5.06 105.19 104.80 1wg4 n GLY 94 Ca -0.02 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 1wg4 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 h PRO 95 N 0.00 0.59 -7.02 1.61 0.13 -1.99 -3.46 132.00 121.87 1wg4 h PRO 95 Ca 0.00 -0.57 -0.56 0.00 -0.87 0.00 0.00 66.00 64.00 1wg4 h PRO 95 Cb 0.00 0.15 0.15 0.00 0.13 0.00 0.00 31.00 31.43 1wg4 h PRO 95 CO 0.00 1.19 0.47 0.43 -0.23 0.00 0.00 178.00 179.86 1wg4 n SER 96 N -4.06 2.09 -2.55 1.44 7.64 -1.26 -4.37 113.62 112.55 1wg4 n SER 96 Ca -0.10 0.89 -0.04 0.00 1.01 0.00 0.00 58.87 60.64 1wg4 n SER 96 Cb 0.74 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 1wg4 n SER 96 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wg4 n SER 97 N -1.25 -2.98 0.00 6.43 2.88 -1.26 -5.24 113.62 112.19 1wg4 n SER 97 Ca 0.13 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1wg4 n SER 97 Cb 0.46 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 1wg4 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42