#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 -0.95 -0.38 1.61 1.04 -1.26 -5.10 113.70 108.66 1wg4 s SER 2 Ca 0.00 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1wg4 s SER 2 Cb 0.00 1.70 0.12 0.00 0.10 0.00 0.00 66.02 67.94 1wg4 s SER 2 CO 0.00 -0.28 0.15 -0.55 0.98 0.00 0.00 173.24 173.55 1wg4 s SER 3 N 2.43 3.99 0.00 7.02 0.15 -1.26 -4.91 113.70 121.12 1wg4 s SER 3 Ca 0.12 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.60 1wg4 s SER 3 Cb -0.09 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1wg4 s SER 3 CO -0.21 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1wg4 n GLY 4 N 4.16 -0.92 2.66 9.45 0.00 -1.26 -5.13 105.19 114.16 1wg4 n GLY 4 Ca 0.03 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.31 -3.69 -2.65 1.61 2.88 -1.26 -4.70 113.62 103.49 1wg4 n SER 5 Ca 0.00 1.39 -0.03 0.00 -1.33 0.00 0.00 58.87 58.90 1wg4 n SER 5 Cb 0.00 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.20 1wg4 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wg4 n SER 6 N 1.30 -7.44 0.00 -3.46 2.88 -1.26 -5.05 113.62 100.59 1wg4 n SER 6 Ca -0.24 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1wg4 n SER 6 Cb 0.38 -4.96 0.00 0.00 -0.75 0.00 0.00 64.21 58.88 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 0.24 0.88 2.63 0.46 0.00 -1.26 -5.10 105.19 103.04 1wg4 n GLY 7 Ca 0.05 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 -5.06 3.80 -0.02 0.00 -1.26 -4.93 105.19 97.73 1wg4 n GLY 8 Ca 0.00 1.46 -0.33 0.00 0.00 0.00 0.00 46.02 47.15 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 -0.95 3.65 0.34 1.61 0.04 -1.26 -4.99 135.00 133.44 1wg4 s PRO 9 Ca -0.21 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 1wg4 s PRO 9 Cb 0.01 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1wg4 s PRO 9 CO 0.80 -0.55 1.07 -1.25 0.04 0.00 0.00 177.00 177.11 1wg4 s PRO 10 N -3.55 4.38 0.55 0.56 0.04 -1.26 -5.02 135.00 130.70 1wg4 s PRO 10 Ca 0.66 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 1wg4 s PRO 10 Cb -0.16 -2.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 1wg4 s PRO 10 CO 0.26 0.03 1.11 -0.08 0.04 0.00 0.00 177.00 178.35 1wg4 s THR 11 N -1.43 3.31 -0.09 1.26 -1.32 -1.26 -4.97 115.64 111.14 1wg4 s THR 11 Ca 0.52 0.77 0.22 0.00 -1.21 0.00 0.00 61.69 61.99 1wg4 s THR 11 Cb -0.26 -3.29 0.41 0.00 -1.51 0.00 0.00 72.50 67.85 1wg4 s THR 11 CO 0.33 -0.22 1.15 -2.11 -2.21 0.00 0.00 174.62 171.57 1wg4 n ARG 12 N -1.44 0.57 0.23 7.08 -4.01 -1.26 -4.86 116.66 112.97 1wg4 n ARG 12 Ca 0.11 -2.32 0.16 0.00 -1.04 0.00 0.00 57.85 54.76 1wg4 n ARG 12 Cb 0.51 -0.41 0.82 0.00 -3.04 0.00 0.00 32.46 30.35 1wg4 n ARG 12 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1wg4 h ARG 13 N 1.38 0.00 -2.87 2.89 3.08 -2.00 -3.44 114.38 113.43 1wg4 h ARG 13 Ca -0.24 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.88 1wg4 h ARG 13 Cb 1.64 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.65 1wg4 h ARG 13 CO 0.07 0.00 0.30 -1.12 -1.07 0.00 0.00 179.97 178.16 1wg4 s SER 14 N -4.59 -0.17 -0.48 7.04 0.01 -1.26 -5.10 113.70 109.16 1wg4 s SER 14 Ca -0.02 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.59 1wg4 s SER 14 Cb 0.09 0.71 0.26 0.00 0.21 0.00 0.00 66.02 67.29 1wg4 s SER 14 CO 0.32 -1.35 0.64 0.47 0.41 0.00 0.00 173.24 173.73 1wg4 n ASP 15 N -0.74 1.67 -3.36 2.44 8.00 -1.26 -5.03 116.55 118.27 1wg4 n ASP 15 Ca -0.05 -3.02 -0.10 0.00 0.71 0.00 0.00 54.79 52.32 1wg4 n ASP 15 Cb 0.60 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 1wg4 n ASP 15 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wg4 s PHE 16 N -1.84 -0.80 0.32 1.24 0.08 -1.26 -5.03 117.98 110.69 1wg4 s PHE 16 Ca 0.38 0.76 0.06 0.00 0.12 0.00 0.00 56.93 58.25 1wg4 s PHE 16 Cb 0.18 -0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.59 1wg4 s PHE 16 CO -0.08 -0.73 0.25 -0.98 -0.10 0.00 0.00 175.22 173.58 1wg4 s ARG 17 N 2.53 1.69 -0.05 0.44 1.70 -1.26 0.44 118.95 124.45 1wg4 s ARG 17 Ca 0.12 -1.98 -0.00 0.00 -0.47 0.00 0.00 55.73 53.40 1wg4 s ARG 17 Cb -0.15 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1wg4 s ARG 17 CO -0.16 -0.60 -0.01 0.14 -1.08 0.00 0.00 175.30 173.59 1wg4 s VAL 18 N -3.53 0.30 -0.17 4.99 -7.23 0.99 -4.64 120.40 111.12 1wg4 s VAL 18 Ca 0.39 0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.39 1wg4 s VAL 18 Cb 0.03 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 1wg4 s VAL 18 CO 0.24 0.20 0.81 -0.76 -0.31 0.00 0.00 175.10 175.29 1wg4 s LEU 19 N 1.36 4.18 -0.11 1.32 1.43 0.50 -2.56 118.68 124.81 1wg4 s LEU 19 Ca -0.05 1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 1wg4 s LEU 19 Cb -0.13 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 1wg4 s LEU 19 CO -0.02 -0.38 -0.00 -0.69 0.23 0.00 0.00 176.35 175.48 1wg4 s VAL 20 N 2.08 4.26 0.02 -1.59 1.01 -0.62 -2.38 120.40 123.19 1wg4 s VAL 20 Ca 0.38 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 1wg4 s VAL 20 Cb -0.17 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1wg4 s VAL 20 CO 0.12 0.57 0.19 -0.44 0.00 0.00 0.00 175.10 175.55 1wg4 s SER 21 N -0.54 -0.00 0.00 3.32 0.01 -1.22 0.32 113.70 115.59 1wg4 s SER 21 Ca 0.09 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1wg4 s SER 21 Cb -0.12 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1wg4 s SER 21 CO 0.02 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1wg4 n GLY 22 N 1.00 0.98 3.86 3.44 0.00 0.35 -2.12 105.19 112.70 1wg4 n GLY 22 Ca -0.20 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.30 3.46 0.93 0.99 1.43 0.11 -4.03 118.68 121.26 1wg4 s LEU 23 Ca 0.00 1.42 -0.13 0.00 -1.03 0.00 0.00 54.13 54.39 1wg4 s LEU 23 Cb 0.00 -4.41 0.15 0.00 0.03 0.00 0.00 46.19 41.96 1wg4 s LEU 23 CO 0.00 -0.70 1.15 -2.16 0.23 0.00 0.00 176.35 174.86 1wg4 s PRO 24 N -4.62 0.99 0.10 1.29 0.04 -1.26 -4.29 135.00 127.26 1wg4 s PRO 24 Ca 0.56 0.24 0.23 0.00 0.04 0.00 0.00 61.00 62.06 1wg4 s PRO 24 Cb -0.10 -1.83 0.92 0.00 0.04 0.00 0.00 34.50 33.53 1wg4 s PRO 24 CO 0.43 -2.29 1.72 -0.35 0.04 0.00 0.00 177.00 176.55 1wg4 n PRO 25 N -3.82 0.10 0.00 0.56 -0.04 -1.26 -2.59 135.00 127.95 1wg4 n PRO 25 Ca 0.07 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.77 1wg4 n PRO 25 Cb 0.59 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1wg4 n PRO 25 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wg4 n SER 26 N -1.83 0.51 -4.54 3.54 3.41 -1.26 -5.04 113.62 108.42 1wg4 n SER 26 Ca 0.05 -0.76 -0.41 0.00 -0.26 0.00 0.00 58.87 57.49 1wg4 n SER 26 Cb 0.29 0.85 0.02 0.00 -0.26 0.00 0.00 64.21 65.10 1wg4 n SER 26 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg4 n GLY 27 N 1.05 -0.84 2.69 5.00 0.00 -1.07 -4.17 105.19 107.85 1wg4 n GLY 27 Ca 0.02 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 0.64 1.62 -0.02 1.61 7.64 -1.26 -4.92 113.62 118.93 1wg4 n SER 28 Ca 0.11 -2.72 -0.21 0.00 1.01 0.00 0.00 58.87 57.06 1wg4 n SER 28 Cb 0.41 0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 64.16 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 -0.79 1.13 0.00 1.43 4.27 -1.26 -3.24 117.44 118.98 1wg4 n TRP 29 Ca -0.07 0.27 0.00 0.00 -3.89 0.00 0.00 57.50 53.81 1wg4 n TRP 29 Cb 0.49 -1.14 0.00 0.00 -1.36 0.00 0.00 31.31 29.29 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 -3.63 0.00 -0.28 -2.67 1.13 -1.26 0.17 117.38 110.83 1wg4 n GLN 30 Ca -0.33 0.71 0.05 0.00 -1.94 0.00 0.00 57.00 55.49 1wg4 n GLN 30 Cb 0.98 -1.42 0.20 0.00 0.11 0.00 0.00 30.24 30.11 1wg4 n GLN 30 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1wg4 h ASP 31 N 0.00 0.48 -0.14 1.08 3.32 -1.92 -0.02 116.42 119.23 1wg4 h ASP 31 Ca 0.00 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.18 1wg4 h ASP 31 Cb 0.00 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 1wg4 h ASP 31 CO 0.00 0.22 -0.27 0.25 -1.72 0.00 0.00 179.24 177.72 1wg4 h LEU 32 N 0.60 -0.84 0.55 1.55 6.46 -1.34 -0.74 115.31 121.55 1wg4 h LEU 32 Ca 0.43 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 58.30 1wg4 h LEU 32 Cb 0.57 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1wg4 h LEU 32 CO -0.34 -0.32 -0.51 0.50 -0.62 0.00 0.00 178.44 177.15 1wg4 h LYS 33 N -0.34 -1.01 -1.31 1.25 3.64 0.31 0.73 116.57 119.84 1wg4 h LYS 33 Ca 0.10 0.07 0.38 0.00 -1.27 0.00 0.00 60.65 59.93 1wg4 h LYS 33 Cb 0.49 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 1wg4 h LYS 33 CO -0.33 -0.67 1.18 0.22 -2.27 0.00 0.00 179.45 177.58 1wg4 h ASP 34 N -1.05 0.00 0.00 4.20 1.82 -0.63 1.68 116.42 122.44 1wg4 h ASP 34 Ca -0.07 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.52 1wg4 h ASP 34 Cb 0.90 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1wg4 h ASP 34 CO -0.04 0.00 -0.49 -0.74 -1.61 0.00 0.00 179.24 176.35 1wg4 h HIS 35 N 0.00 0.00 -0.99 0.28 2.76 0.65 -3.38 115.15 114.47 1wg4 h HIS 35 Ca 0.62 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.89 1wg4 h HIS 35 Cb 2.98 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 31.87 1wg4 h HIS 35 CO 0.00 0.46 0.63 0.52 -1.30 0.00 0.00 177.93 178.23 1wg4 h MET 36 N -1.00 1.03 -1.25 5.26 2.86 0.48 -0.74 114.93 121.57 1wg4 h MET 36 Ca -0.08 -0.06 0.36 0.00 -2.06 0.00 0.00 59.70 57.86 1wg4 h MET 36 Cb 0.62 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1wg4 h MET 36 CO -0.05 0.68 1.22 0.00 1.06 0.00 0.00 176.91 179.83 1wg4 h ARG 37 N 1.06 0.00 -0.59 1.72 2.47 0.21 -0.72 114.38 118.53 1wg4 h ARG 37 Ca 0.46 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.43 1wg4 h ARG 37 Cb 0.34 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.56 1wg4 h ARG 37 CO -0.22 0.00 0.30 0.39 0.56 0.00 0.00 179.97 180.99 1wg4 n GLU 38 N -3.48 -0.04 0.00 0.04 4.71 -0.29 -0.71 120.64 120.88 1wg4 n GLU 38 Ca 0.28 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.24 1wg4 n GLU 38 Cb 1.60 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 30.58 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 -2.61 0.00 -2.00 0.62 0.00 -0.28 -4.94 120.51 111.30 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 -0.36 2.23 3.36 0.00 0.00 0.12 -4.91 105.19 105.63 1wg4 n GLY 40 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 1.38 3.94 -0.28 1.61 -1.08 -1.26 -4.76 116.67 116.22 1wg4 s ASP 41 Ca 0.00 -0.35 -0.10 0.00 -0.52 0.00 0.00 52.55 51.58 1wg4 s ASP 41 Cb 0.00 -1.60 -0.04 0.00 -1.46 0.00 0.00 42.92 39.82 1wg4 s ASP 41 CO 0.00 0.16 0.17 -0.69 0.52 0.00 0.00 175.17 175.33 1wg4 s VAL 42 N 0.37 5.09 -0.13 1.11 1.01 -1.26 -3.75 120.40 122.84 1wg4 s VAL 42 Ca -0.11 0.07 0.16 0.00 0.00 0.00 0.00 61.98 62.10 1wg4 s VAL 42 Cb -0.16 -3.43 -0.24 0.00 0.00 0.00 0.00 36.38 32.56 1wg4 s VAL 42 CO 0.06 0.26 0.37 0.00 0.00 0.00 0.00 175.10 175.78 1wg4 s TYR 44 N -2.61 1.81 -0.23 0.00 6.14 -1.26 -5.01 117.35 116.20 1wg4 s TYR 44 Ca -0.07 -0.63 -0.04 0.00 0.64 0.00 0.00 57.07 56.96 1wg4 s TYR 44 Cb 0.07 -1.25 0.12 0.00 0.42 0.00 0.00 41.96 41.32 1wg4 s TYR 44 CO 0.83 -0.26 0.41 0.00 0.64 0.00 0.00 175.55 177.17 1wg4 s ALA 45 N 0.34 -1.18 0.07 3.97 0.00 -1.26 -1.74 121.76 121.96 1wg4 s ALA 45 Ca -0.11 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1wg4 s ALA 45 Cb -0.15 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1wg4 s ALA 45 CO 0.04 -1.05 -0.07 0.34 0.00 0.00 0.00 175.76 175.02 1wg4 s ASP 46 N 2.59 1.01 -0.03 0.00 2.15 -0.51 -4.96 116.67 116.93 1wg4 s ASP 46 Ca 0.07 -0.81 -0.03 0.00 0.43 0.00 0.00 52.55 52.21 1wg4 s ASP 46 Cb -0.14 0.07 0.01 0.00 -0.30 0.00 0.00 42.92 42.56 1wg4 s ASP 46 CO -0.15 -0.36 0.08 0.54 -0.17 0.00 0.00 175.17 175.11 1wg4 s VAL 47 N -2.68 0.01 0.38 1.11 0.11 -1.26 -1.34 120.40 116.72 1wg4 s VAL 47 Ca 0.03 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1wg4 s VAL 47 Cb -0.01 -0.14 -0.07 0.00 -1.53 0.00 0.00 36.38 34.63 1wg4 s VAL 47 CO -0.03 -0.04 0.03 0.00 -3.33 0.00 0.00 175.10 171.74 1wg4 s GLN 48 N -0.09 1.85 0.42 1.54 -2.07 -0.88 -4.98 119.66 115.46 1wg4 s GLN 48 Ca -0.01 -2.05 -0.07 0.00 -1.82 0.00 0.00 55.36 51.41 1wg4 s GLN 48 Cb -0.01 -1.30 0.11 0.00 -1.09 0.00 0.00 33.01 30.71 1wg4 s GLN 48 CO 0.00 -0.13 0.27 0.36 -1.32 0.00 0.00 175.29 174.47 1wg4 n LYS 49 N -0.87 -2.60 0.00 9.60 0.00 -1.26 -3.42 118.16 119.60 1wg4 n LYS 49 Ca -0.05 -0.45 0.00 0.00 -0.00 0.00 0.00 58.31 57.81 1wg4 n LYS 49 Cb 0.67 -0.55 0.00 0.00 -0.00 0.00 0.00 35.03 35.15 1wg4 n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wg4 n ASP 50 N -3.78 0.00 0.00 -5.58 -0.08 -1.26 -3.16 116.55 102.69 1wg4 n ASP 50 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1wg4 n ASP 50 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 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 0.01 3.54 0.27 0.00 -1.25 -4.70 105.19 103.07 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 1.90 0.26 1.61 -1.94 -1.19 0.13 119.30 120.07 1wg4 s MET 52 Ca 0.00 -1.70 -0.16 0.00 -1.71 0.00 0.00 55.69 52.12 1wg4 s MET 52 Cb 0.00 -1.88 0.01 0.00 2.01 0.00 0.00 34.83 34.96 1wg4 s MET 52 CO 0.00 0.29 0.57 0.20 -0.01 0.00 0.00 175.02 176.07 1wg4 s GLY 53 N -3.59 0.28 -0.22 -0.03 0.00 0.15 -2.06 107.32 101.85 1wg4 s GLY 53 Ca 0.31 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 44.28 1wg4 s GLY 53 CO 0.17 -0.42 0.51 -0.29 0.00 0.00 0.00 173.10 173.08 1wg4 s MET 54 N -3.98 0.49 -0.01 2.90 1.75 -0.45 -1.58 119.30 118.42 1wg4 s MET 54 Ca 0.18 1.01 0.02 0.00 -1.25 0.00 0.00 55.69 55.64 1wg4 s MET 54 Cb -0.03 0.16 0.00 0.00 2.84 0.00 0.00 34.83 37.80 1wg4 s MET 54 CO 0.08 -0.17 -0.05 0.14 -0.65 0.00 0.00 175.02 174.36 1wg4 s VAL 55 N 1.79 0.43 0.09 10.11 -7.23 -1.06 -1.42 120.40 123.10 1wg4 s VAL 55 Ca -0.08 -0.20 0.06 0.00 -1.81 0.00 0.00 61.98 59.95 1wg4 s VAL 55 Cb -0.08 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 1wg4 s VAL 55 CO -0.15 0.14 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.08 1wg4 s GLU 56 N 0.06 2.25 0.07 4.82 2.02 -0.71 -0.00 118.70 127.21 1wg4 s GLU 56 Ca -0.00 -0.95 0.09 0.00 0.02 0.00 0.00 54.97 54.13 1wg4 s GLU 56 Cb -0.04 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 1wg4 s GLU 56 CO -0.00 0.53 -0.25 0.71 0.02 0.00 0.00 175.26 176.26 1wg4 s TYR 57 N -1.20 2.19 -1.56 1.61 2.02 0.17 -3.30 117.35 117.28 1wg4 s TYR 57 Ca 0.22 -0.40 0.29 0.00 -0.37 0.00 0.00 57.07 56.81 1wg4 s TYR 57 Cb -0.11 -1.27 1.27 0.00 -0.40 0.00 0.00 41.96 41.45 1wg4 s TYR 57 CO 0.14 0.18 1.89 1.28 -1.57 0.00 0.00 175.55 177.47 1wg4 n LEU 58 N 1.50 0.35 -4.03 -1.29 7.99 -1.25 -4.37 117.00 115.90 1wg4 n LEU 58 Ca -0.17 0.08 -0.23 0.00 -0.01 0.00 0.00 56.01 55.68 1wg4 n LEU 58 Cb 0.53 -0.21 -0.16 0.00 -0.11 0.00 0.00 43.42 43.46 1wg4 n LEU 58 CO 0.23 0.07 -0.46 -0.13 -1.51 0.00 0.00 177.39 175.58 1wg4 s ARG 59 N -2.52 1.40 0.10 3.23 1.81 -1.26 -4.99 118.95 116.72 1wg4 s ARG 59 Ca 0.28 -0.40 -0.26 0.00 -1.72 0.00 0.00 55.73 53.63 1wg4 s ARG 59 Cb 0.20 -1.23 -0.11 0.00 -0.45 0.00 0.00 34.95 33.37 1wg4 s ARG 59 CO 0.48 0.10 1.67 -0.22 -0.68 0.00 0.00 175.30 176.65 1wg4 h LYS 60 N 6.61 -0.35 -0.33 3.54 3.64 -1.94 -2.70 116.57 125.05 1wg4 h LYS 60 Ca -0.33 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1wg4 h LYS 60 Cb 1.18 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1wg4 h LYS 60 CO 0.48 -0.23 -0.37 0.93 -2.27 0.00 0.00 179.45 177.99 1wg4 h GLU 61 N -0.37 -0.31 -1.00 1.90 5.08 -1.99 -0.45 114.58 117.45 1wg4 h GLU 61 Ca 0.01 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1wg4 h GLU 61 Cb 0.36 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.52 1wg4 h GLU 61 CO -0.07 -0.21 -0.35 -0.44 -1.00 0.00 0.00 179.01 176.94 1wg4 h ASP 62 N -0.33 -1.30 -0.05 1.42 3.32 -1.84 1.63 116.42 119.27 1wg4 h ASP 62 Ca 0.14 0.31 0.02 0.00 0.02 0.00 0.00 57.03 57.52 1wg4 h ASP 62 Cb 0.56 0.72 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 1wg4 h ASP 62 CO -0.50 -0.30 -0.44 -0.03 -1.72 0.00 0.00 179.24 176.25 1wg4 h MET 63 N -0.00 -0.49 -0.49 3.56 4.05 -0.79 0.38 114.93 121.15 1wg4 h MET 63 Ca 0.38 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.85 1wg4 h MET 63 Cb 0.63 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.51 1wg4 h MET 63 CO -1.00 -0.33 0.31 0.93 0.23 0.00 0.00 176.91 177.05 1wg4 h GLU 64 N -0.51 0.61 0.05 0.39 5.08 -0.40 0.27 114.58 120.07 1wg4 h GLU 64 Ca 0.02 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wg4 h GLU 64 Cb 0.57 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1wg4 h GLU 64 CO -0.32 0.40 -0.43 -0.92 -1.00 0.00 0.00 179.01 176.74 1wg4 h TYR 65 N 0.63 -1.25 -0.83 4.33 5.03 0.29 0.27 116.97 125.44 1wg4 h TYR 65 Ca 0.19 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.54 1wg4 h TYR 65 Cb -0.03 0.54 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1wg4 h TYR 65 CO -0.05 -0.47 0.55 0.00 -1.32 0.00 0.00 178.16 176.86 1wg4 h ALA 66 N -0.69 1.40 -0.04 1.82 0.00 -0.14 0.59 119.26 122.20 1wg4 h ALA 66 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wg4 h ALA 66 Cb 0.59 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1wg4 h ALA 66 CO -0.26 0.56 -0.37 -0.07 0.00 0.00 0.00 179.25 179.11 1wg4 h LEU 67 N 1.13 -1.12 0.11 0.00 3.38 0.67 0.48 115.31 119.96 1wg4 h LEU 67 Ca 0.30 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 1wg4 h LEU 67 Cb -0.12 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wg4 h LEU 67 CO -0.07 -0.41 -0.05 0.03 0.09 0.00 0.00 178.44 178.03 1wg4 h ARG 68 N -0.50 -0.14 -0.73 1.13 2.47 -0.05 0.64 114.38 117.20 1wg4 h ARG 68 Ca 0.07 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1wg4 h ARG 68 Cb 0.60 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.87 1wg4 h ARG 68 CO -0.32 -0.10 -0.43 1.63 0.56 0.00 0.00 179.97 181.31 1wg4 n LYS 69 N -2.95 -0.32 0.27 0.04 4.01 0.20 -1.30 118.16 118.11 1wg4 n LYS 69 Ca -0.02 1.17 -0.11 0.00 -0.51 0.00 0.00 58.31 58.84 1wg4 n LYS 69 Cb 0.06 -1.72 -0.05 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 -0.60 0.00 -0.35 3.38 -0.16 -3.47 115.31 114.11 1wg4 h LEU 70 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wg4 h LEU 70 Cb 0.30 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wg4 h LEU 70 CO -0.69 -0.33 0.00 -0.67 0.09 0.00 0.00 178.44 176.84 1wg4 n ASP 71 N -4.50 0.00 -2.40 -0.43 2.03 0.22 -3.68 116.55 107.80 1wg4 n ASP 71 Ca -0.09 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.20 1wg4 n ASP 71 Cb 0.28 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.66 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 1.38 -6.17 -3.59 1.67 -0.08 -1.21 -4.84 116.55 103.71 1wg4 n ASP 72 Ca 0.00 1.64 -0.20 0.00 -1.51 0.00 0.00 54.79 54.72 1wg4 n ASP 72 Cb 0.00 -5.12 -0.08 0.00 2.34 0.00 0.00 41.12 38.26 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 -0.60 0.11 -0.54 5.18 -4.23 -0.67 -4.96 115.64 109.93 1wg4 s THR 73 Ca -0.10 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.27 1wg4 s THR 73 Cb 0.01 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.51 1wg4 s THR 73 CO 0.27 0.00 0.48 -0.75 -0.54 0.00 0.00 174.62 174.08 1wg4 s LYS 74 N -3.57 2.89 0.35 3.99 2.20 -1.26 -2.43 119.74 121.92 1wg4 s LYS 74 Ca 0.38 -1.79 -0.18 0.00 -0.36 0.00 0.00 55.97 54.02 1wg4 s LYS 74 Cb 0.03 -4.21 -0.10 0.00 -1.51 0.00 0.00 37.83 32.05 1wg4 s LYS 74 CO 0.24 -1.29 0.82 0.12 -0.36 0.00 0.00 175.35 174.87 1wg4 s PHE 75 N 1.42 3.38 -0.20 4.03 5.36 -0.37 -4.90 117.98 126.70 1wg4 s PHE 75 Ca 0.05 1.39 0.01 0.00 -0.96 0.00 0.00 56.93 57.42 1wg4 s PHE 75 Cb -0.28 -2.66 0.04 0.00 -0.34 0.00 0.00 43.02 39.78 1wg4 s PHE 75 CO 0.01 0.05 -0.11 0.50 -1.46 0.00 0.00 175.22 174.21 1wg4 s ARG 76 N -2.94 2.14 1.06 10.12 3.52 -1.26 -2.18 118.95 129.41 1wg4 s ARG 76 Ca 0.56 -0.86 -0.15 0.00 -0.13 0.00 0.00 55.73 55.14 1wg4 s ARG 76 Cb -0.11 -2.45 0.22 0.00 -1.56 0.00 0.00 34.95 31.06 1wg4 s ARG 76 CO 0.16 -0.41 1.13 -1.54 -0.81 0.00 0.00 175.30 173.84 1wg4 s SER 77 N 1.37 2.17 0.28 -2.12 1.04 0.94 -4.84 113.70 112.53 1wg4 s SER 77 Ca -0.01 0.81 0.25 0.00 0.48 0.00 0.00 55.95 57.48 1wg4 s SER 77 Cb -0.16 -1.23 0.96 0.00 0.10 0.00 0.00 66.02 65.70 1wg4 s SER 77 CO -0.08 -3.37 1.75 -0.74 0.98 0.00 0.00 173.24 171.78 1wg4 h HIS 78 N -2.06 0.00 -0.34 5.02 2.76 -1.87 -1.87 115.15 116.80 1wg4 h HIS 78 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 1wg4 h HIS 78 Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1wg4 h HIS 78 CO -0.81 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 176.21 1wg4 n GLU 79 N -2.34 2.25 0.00 5.26 -0.58 -1.26 -4.94 120.64 119.03 1wg4 n GLU 79 Ca 0.03 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.88 1wg4 n GLU 79 Cb 0.29 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.38 2.37 3.20 0.62 0.00 -0.70 -5.01 105.19 107.06 1wg4 n GLY 80 Ca 0.18 -0.56 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -4.35 1.61 1.02 -1.26 -4.16 120.64 113.50 1wg4 n GLU 81 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1wg4 n GLU 81 Cb 0.00 -0.97 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.88 1.92 0.19 2.62 -4.23 -1.26 -0.04 115.64 113.96 1wg4 s THR 82 Ca 0.62 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 1wg4 s THR 82 Cb -0.90 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1wg4 s THR 82 CO 0.53 -0.28 0.53 -0.94 -0.54 0.00 0.00 174.62 173.91 1wg4 s SER 83 N -2.68 -0.29 -0.43 3.99 1.04 -0.92 -4.93 113.70 109.48 1wg4 s SER 83 Ca 0.17 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 1wg4 s SER 83 Cb -0.06 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1wg4 s SER 83 CO 0.07 -1.04 0.45 -0.31 0.98 0.00 0.00 173.24 173.39 1wg4 s TYR 84 N -3.86 3.17 -0.16 5.02 2.02 -1.26 -1.24 117.35 121.05 1wg4 s TYR 84 Ca 0.08 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1wg4 s TYR 84 Cb -0.01 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.55 1wg4 s TYR 84 CO -0.04 -0.74 -0.02 0.96 -1.57 0.00 0.00 175.55 174.15 1wg4 s ILE 85 N 2.12 4.09 0.27 2.71 -4.36 -1.02 -4.57 121.20 120.45 1wg4 s ILE 85 Ca 0.11 -0.29 -0.08 0.00 -0.26 0.00 0.00 60.65 60.13 1wg4 s ILE 85 Cb -0.18 -2.80 -0.06 0.00 1.25 0.00 0.00 42.46 40.67 1wg4 s ILE 85 CO 0.13 0.49 0.58 -0.60 0.24 0.00 0.00 174.94 175.78 1wg4 s ARG 86 N 0.31 3.74 -0.23 0.37 3.00 -0.90 -1.66 118.95 123.58 1wg4 s ARG 86 Ca -0.02 0.21 -0.00 0.00 -1.00 0.00 0.00 55.73 54.92 1wg4 s ARG 86 Cb -0.14 -2.61 0.03 0.00 0.00 0.00 0.00 34.95 32.23 1wg4 s ARG 86 CO 0.02 0.23 -0.11 0.08 0.00 0.00 0.00 175.30 175.53 1wg4 s VAL 87 N -1.98 2.54 0.07 7.11 1.01 -1.26 -3.40 120.40 124.49 1wg4 s VAL 87 Ca 0.47 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1wg4 s VAL 87 Cb -0.11 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1wg4 s VAL 87 CO 0.25 0.26 0.18 -0.72 0.00 0.00 0.00 175.10 175.07 1wg4 s TYR 88 N 1.28 0.14 1.10 5.22 1.13 -1.00 -4.60 117.35 120.62 1wg4 s TYR 88 Ca 0.00 -0.50 -0.18 0.00 -1.41 0.00 0.00 57.07 54.98 1wg4 s TYR 88 Cb -0.16 -0.07 0.25 0.00 -1.10 0.00 0.00 41.96 40.88 1wg4 s TYR 88 CO -0.07 -0.49 1.23 -1.25 -2.51 0.00 0.00 175.55 172.46 1wg4 s PRO 89 N -3.37 -0.41 -1.06 -3.49 0.04 -1.26 0.19 135.00 125.64 1wg4 s PRO 89 Ca 0.01 -0.29 -0.08 0.00 0.04 0.00 0.00 61.00 60.68 1wg4 s PRO 89 Cb 0.03 -1.71 0.27 0.00 0.04 0.00 0.00 34.50 33.12 1wg4 s PRO 89 CO -0.08 -3.13 1.04 -2.00 0.04 0.00 0.00 177.00 172.86 1wg4 s GLU 90 N -5.69 4.01 0.00 4.56 2.12 -1.26 -4.56 118.70 117.88 1wg4 s GLU 90 Ca 0.73 -3.20 0.00 0.00 0.36 0.00 0.00 54.97 52.86 1wg4 s GLU 90 Cb -0.06 -4.44 0.00 0.00 0.26 0.00 0.00 34.13 29.89 1wg4 s GLU 90 CO 0.55 -1.25 0.00 -2.13 -0.54 0.00 0.00 175.26 171.89 1wg4 n ARG 91 N 2.69 0.00 -4.08 4.30 0.63 -1.26 -5.14 116.66 113.80 1wg4 n ARG 91 Ca 0.23 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.81 1wg4 n ARG 91 Cb 0.39 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.18 1wg4 n ARG 91 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wg4 s SER 92 N 0.00 4.84 0.26 6.15 0.15 -1.26 -4.92 113.70 118.92 1wg4 s SER 92 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1wg4 s SER 92 Cb 0.00 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1wg4 s SER 92 CO 0.00 0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.27 1wg4 n SER 93 N 4.23 -8.03 -4.69 5.45 2.88 -1.26 -4.80 113.62 107.41 1wg4 n SER 93 Ca -0.17 1.12 -0.44 0.00 -1.33 0.00 0.00 58.87 58.05 1wg4 n SER 93 Cb 0.52 -4.14 -0.04 0.00 -0.75 0.00 0.00 64.21 59.80 1wg4 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg4 n GLY 94 N 0.79 1.45 2.64 0.46 0.00 -1.26 -4.83 105.19 104.45 1wg4 n GLY 94 Ca 0.00 0.71 -0.34 0.00 0.00 0.00 0.00 46.02 46.38 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 4.87 2.55 -3.15 1.61 -0.04 -1.26 -4.66 135.00 134.92 1wg4 n PRO 95 Ca 0.18 -1.93 -0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1wg4 n PRO 95 Cb 0.33 -2.78 -0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1wg4 n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg4 n SER 96 N 4.99 -6.72 -4.76 3.54 7.64 -1.26 -4.87 113.62 112.18 1wg4 n SER 96 Ca 0.56 0.52 -0.32 0.00 1.01 0.00 0.00 58.87 60.64 1wg4 n SER 96 Cb 0.26 -1.77 0.08 0.00 -1.01 0.00 0.00 64.21 61.76 1wg4 n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg4 s SER 97 N -0.91 4.65 0.00 6.43 0.15 -1.26 -5.32 113.70 117.44 1wg4 s SER 97 Ca -0.00 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1wg4 s SER 97 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wg4 s SER 97 CO 0.04 -1.94 0.00 0.61 1.20 0.00 0.00 173.24 173.15