#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 2.24 0.40 1.61 0.01 -1.26 -4.87 113.70 111.84 1wg4 s SER 2 Ca 0.00 1.85 -0.20 0.00 1.31 0.00 0.00 55.95 58.90 1wg4 s SER 2 Cb 0.00 -2.43 -0.15 0.00 0.21 0.00 0.00 66.02 63.65 1wg4 s SER 2 CO 0.00 -3.47 0.07 -0.24 0.41 0.00 0.00 173.24 170.01 1wg4 n SER 3 N -4.45 -2.86 0.00 2.44 2.88 -1.26 -4.95 113.62 105.42 1wg4 n SER 3 Ca 0.08 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wg4 n SER 3 Cb 0.53 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 2.28 4.64 3.63 0.46 0.00 -1.26 -5.18 105.19 109.76 1wg4 n GLY 4 Ca 0.11 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1wg4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 5 N 1.13 3.89 -0.15 1.61 0.01 -1.26 -5.16 113.70 113.77 1wg4 s SER 5 Ca 0.00 -1.40 -0.33 0.00 1.31 0.00 0.00 55.95 55.53 1wg4 s SER 5 Cb 0.00 -0.29 0.13 0.00 0.21 0.00 0.00 66.02 66.07 1wg4 s SER 5 CO 0.00 -0.50 1.12 -0.44 0.41 0.00 0.00 173.24 173.83 1wg4 s SER 6 N -3.73 -0.21 0.00 2.44 0.01 -1.26 -5.15 113.70 105.80 1wg4 s SER 6 Ca 0.32 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1wg4 s SER 6 Cb 0.09 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1wg4 s SER 6 CO 0.16 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1wg4 n GLY 7 N 0.00 -2.10 3.07 3.44 0.00 -1.26 -4.90 105.19 103.43 1wg4 n GLY 7 Ca -0.03 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 1.07 -2.51 3.82 -0.02 0.00 -1.26 -4.93 105.19 101.36 1wg4 n GLY 8 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.79 2.99 -1.11 1.61 0.04 -1.26 -4.91 135.00 129.57 1wg4 s PRO 9 Ca 0.39 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 1wg4 s PRO 9 Cb -0.01 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1wg4 s PRO 9 CO 0.52 -1.06 2.11 -0.35 0.04 0.00 0.00 177.00 178.26 1wg4 n PRO 10 N -3.00 2.20 -4.31 0.56 -0.04 -1.26 -4.89 135.00 124.25 1wg4 n PRO 10 Ca 0.08 -2.16 -0.34 0.00 -0.04 0.00 0.00 63.50 61.04 1wg4 n PRO 10 Cb 0.53 -3.04 -0.09 0.00 -0.04 0.00 0.00 33.50 30.86 1wg4 n PRO 10 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wg4 s THR 11 N 4.02 4.30 -0.33 0.52 -4.23 -1.26 -5.01 115.64 113.64 1wg4 s THR 11 Ca 0.52 -0.40 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 1wg4 s THR 11 Cb 0.14 -2.86 0.44 0.00 1.34 0.00 0.00 72.50 71.56 1wg4 s THR 11 CO 0.01 0.49 1.23 -1.14 -0.54 0.00 0.00 174.62 174.68 1wg4 n ARG 12 N 1.75 1.34 -4.60 3.99 0.00 -1.26 -5.11 116.66 112.77 1wg4 n ARG 12 Ca -0.16 -2.46 -0.24 0.00 -0.00 0.00 0.00 57.85 54.99 1wg4 n ARG 12 Cb 0.53 -0.62 -0.14 0.00 0.00 0.00 0.00 32.46 32.23 1wg4 n ARG 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1wg4 s ARG 13 N -1.63 1.25 0.41 -0.14 3.03 -1.26 -5.08 118.95 115.53 1wg4 s ARG 13 Ca 0.22 -0.80 0.00 0.00 2.03 0.00 0.00 55.73 57.18 1wg4 s ARG 13 Cb 0.41 -1.30 0.00 0.00 -1.03 0.00 0.00 34.95 33.03 1wg4 s ARG 13 CO -0.05 0.34 0.00 0.43 -1.13 0.00 0.00 175.30 174.88 1wg4 n SER 14 N 2.08 -3.99 -2.71 -2.89 7.64 -1.26 -4.85 113.62 107.63 1wg4 n SER 14 Ca -0.17 0.57 -0.07 0.00 1.01 0.00 0.00 58.87 60.21 1wg4 n SER 14 Cb 0.54 -1.77 0.09 0.00 -1.01 0.00 0.00 64.21 62.05 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 -4.14 -2.12 -3.30 6.43 8.00 -1.26 -5.11 116.55 115.05 1wg4 n ASP 15 Ca 0.00 -3.07 -0.06 0.00 0.71 0.00 0.00 54.79 52.37 1wg4 n ASP 15 Cb 0.24 1.65 -0.06 0.00 -0.02 0.00 0.00 41.12 42.93 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 0.29 -1.04 0.38 1.24 0.08 -1.26 -5.06 117.98 112.60 1wg4 s PHE 16 Ca 0.24 0.91 0.04 0.00 0.12 0.00 0.00 56.93 58.24 1wg4 s PHE 16 Cb 0.27 0.10 -0.03 0.00 -0.57 0.00 0.00 43.02 42.80 1wg4 s PHE 16 CO -0.12 -0.81 0.15 -0.98 -0.10 0.00 0.00 175.22 173.35 1wg4 s ARG 17 N 2.61 1.84 -0.05 0.44 1.70 -1.26 0.55 118.95 124.79 1wg4 s ARG 17 Ca 0.14 -2.10 0.02 0.00 -0.47 0.00 0.00 55.73 53.31 1wg4 s ARG 17 Cb -0.15 -0.43 0.01 0.00 -0.57 0.00 0.00 34.95 33.81 1wg4 s ARG 17 CO -0.20 -0.48 -0.09 0.14 -1.08 0.00 0.00 175.30 173.59 1wg4 s VAL 18 N -3.31 0.90 -0.19 4.99 -7.23 -0.06 -4.69 120.40 110.81 1wg4 s VAL 18 Ca 0.28 -0.36 -0.20 0.00 -1.81 0.00 0.00 61.98 59.89 1wg4 s VAL 18 Cb 0.03 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1wg4 s VAL 18 CO 0.17 0.30 0.59 -0.76 -0.31 0.00 0.00 175.10 175.08 1wg4 s LEU 19 N 0.60 4.16 -0.06 1.32 1.43 0.26 -2.90 118.68 123.49 1wg4 s LEU 19 Ca -0.11 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1wg4 s LEU 19 Cb -0.14 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1wg4 s LEU 19 CO 0.02 -0.23 -0.11 -0.69 0.23 0.00 0.00 176.35 175.57 1wg4 s VAL 20 N 1.72 3.31 -0.13 -1.59 1.01 -0.72 -1.91 120.40 122.08 1wg4 s VAL 20 Ca 0.28 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1wg4 s VAL 20 Cb -0.16 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1wg4 s VAL 20 CO 0.10 0.59 0.32 -0.44 0.00 0.00 0.00 175.10 175.67 1wg4 s SER 21 N -0.71 -0.37 0.00 3.32 0.01 -1.19 0.12 113.70 114.88 1wg4 s SER 21 Ca 0.11 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1wg4 s SER 21 Cb -0.11 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1wg4 s SER 21 CO 0.01 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1wg4 n GLY 22 N 4.23 1.72 3.83 3.44 0.00 -1.08 -2.19 105.19 115.14 1wg4 n GLY 22 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1wg4 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wg4 s LEU 23 N 0.00 3.41 0.91 0.99 1.43 -0.25 -3.73 118.68 121.44 1wg4 s LEU 23 Ca 0.00 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 1wg4 s LEU 23 Cb 0.00 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 41.85 1wg4 s LEU 23 CO 0.00 -0.99 1.14 -2.16 0.23 0.00 0.00 176.35 174.57 1wg4 s PRO 24 N -4.48 1.17 0.14 1.29 0.04 -1.26 -4.55 135.00 127.36 1wg4 s PRO 24 Ca 0.59 0.29 0.24 0.00 0.04 0.00 0.00 61.00 62.16 1wg4 s PRO 24 Cb -0.13 -1.84 0.91 0.00 0.04 0.00 0.00 34.50 33.48 1wg4 s PRO 24 CO 0.42 -2.17 1.73 -0.35 0.04 0.00 0.00 177.00 176.66 1wg4 n PRO 25 N -3.75 0.14 -0.00 0.56 -0.04 -1.26 -2.57 135.00 128.07 1wg4 n PRO 25 Ca 0.07 0.24 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1wg4 n PRO 25 Cb 0.59 -1.70 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.95 1.32 -4.67 3.54 7.64 -1.26 -5.05 113.62 113.19 1wg4 n SER 26 Ca 0.04 -1.20 -0.31 0.00 1.01 0.00 0.00 58.87 58.42 1wg4 n SER 26 Cb 0.30 -0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.30 1.66 0.28 0.23 0.00 -1.06 -3.73 107.32 104.40 1wg4 s GLY 27 Ca 0.03 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1wg4 s GLY 27 CO 0.04 0.85 0.24 -0.56 0.00 0.00 0.00 173.10 173.66 1wg4 s SER 28 N -2.83 1.02 -0.05 1.64 0.01 -1.26 -4.92 113.70 107.31 1wg4 s SER 28 Ca 0.66 -1.59 -0.12 0.00 1.31 0.00 0.00 55.95 56.21 1wg4 s SER 28 Cb -0.22 0.50 -0.31 0.00 0.21 0.00 0.00 66.02 66.20 1wg4 s SER 28 CO 0.58 -0.99 0.69 4.11 0.41 0.00 0.00 173.24 178.05 1wg4 h TRP 29 N 2.32 0.72 0.00 2.43 5.08 -1.91 -3.10 115.95 121.49 1wg4 h TRP 29 Ca -0.29 -0.52 0.00 0.00 1.08 0.00 0.00 58.89 59.15 1wg4 h TRP 29 Cb 1.24 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1wg4 h TRP 29 CO 1.15 1.65 0.00 1.04 -1.28 0.00 0.00 178.44 181.00 1wg4 n GLN 30 N -3.66 0.00 -0.34 0.12 6.02 -1.26 0.12 117.38 118.38 1wg4 n GLN 30 Ca -0.24 0.57 0.18 0.00 -0.01 0.00 0.00 57.00 57.50 1wg4 n GLN 30 Cb 1.05 -1.31 0.40 0.00 1.02 0.00 0.00 30.24 31.41 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 0.65 -0.31 1.08 3.32 -1.95 0.42 116.42 119.63 1wg4 h ASP 31 Ca 0.00 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1wg4 h ASP 31 Cb 0.00 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1wg4 h ASP 31 CO 0.00 0.11 0.07 0.25 -1.72 0.00 0.00 179.24 177.96 1wg4 h LEU 32 N 0.57 0.04 0.42 1.55 6.46 -1.23 -2.10 115.31 121.02 1wg4 h LEU 32 Ca 0.63 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.43 1wg4 h LEU 32 Cb 1.25 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 1wg4 h LEU 32 CO -0.44 0.06 -0.48 0.50 -0.62 0.00 0.00 178.44 177.46 1wg4 h LYS 33 N 0.19 -0.88 -1.29 1.25 3.64 0.55 0.97 116.57 121.00 1wg4 h LYS 33 Ca 0.14 0.06 0.37 0.00 -1.27 0.00 0.00 60.65 59.96 1wg4 h LYS 33 Cb 0.14 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1wg4 h LYS 33 CO -0.18 -0.59 1.14 -0.44 -2.27 0.00 0.00 179.45 177.11 1wg4 h ASP 34 N -0.92 0.00 0.00 4.20 3.32 -1.05 1.62 116.42 123.59 1wg4 h ASP 34 Ca -0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1wg4 h ASP 34 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1wg4 h ASP 34 CO -0.09 0.00 -0.46 -0.74 -1.72 0.00 0.00 179.24 176.23 1wg4 h HIS 35 N 0.00 0.00 -0.97 4.55 2.76 -0.08 -3.37 115.15 118.03 1wg4 h HIS 35 Ca 0.61 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.88 1wg4 h HIS 35 Cb 2.88 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 31.77 1wg4 h HIS 35 CO 0.00 0.47 0.61 0.52 -1.30 0.00 0.00 177.93 178.23 1wg4 h MET 36 N -1.00 0.99 -1.05 5.26 2.86 0.50 -0.49 114.93 122.00 1wg4 h MET 36 Ca -0.08 -0.06 0.30 0.00 -2.06 0.00 0.00 59.70 57.81 1wg4 h MET 36 Cb 0.61 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1wg4 h MET 36 CO -0.05 0.66 1.13 0.00 1.06 0.00 0.00 176.91 179.71 1wg4 h ARG 37 N 1.02 0.00 -0.57 1.72 2.47 0.19 -1.07 114.38 118.14 1wg4 h ARG 37 Ca 0.46 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 59.41 1wg4 h ARG 37 Cb 0.36 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.58 1wg4 h ARG 37 CO -0.23 0.00 0.29 0.39 0.56 0.00 0.00 179.97 180.97 1wg4 n GLU 38 N -3.40 -0.04 0.00 0.04 -0.58 -0.19 -0.01 120.64 116.47 1wg4 n GLU 38 Ca 0.23 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 1wg4 n GLU 38 Cb 1.45 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 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 -2.64 -0.24 -2.00 0.62 0.00 -0.41 -4.94 120.51 110.90 1wg4 n ALA 39 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1wg4 n ALA 39 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.75 0.98 3.14 0.00 0.00 0.99 -4.88 105.19 104.66 1wg4 n GLY 40 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 1.65 2.69 -0.20 1.61 -1.08 -1.26 -4.79 116.67 115.30 1wg4 s ASP 41 Ca 0.00 -0.49 -0.15 0.00 -0.52 0.00 0.00 52.55 51.39 1wg4 s ASP 41 Cb 0.00 -1.23 -0.04 0.00 -1.46 0.00 0.00 42.92 40.19 1wg4 s ASP 41 CO 0.00 0.09 0.37 -0.69 0.52 0.00 0.00 175.17 175.46 1wg4 s VAL 42 N 0.61 5.22 -0.11 1.11 1.01 -1.26 -3.62 120.40 123.36 1wg4 s VAL 42 Ca -0.14 0.65 0.16 0.00 0.00 0.00 0.00 61.98 62.66 1wg4 s VAL 42 Cb -0.17 -3.70 -0.16 0.00 0.00 0.00 0.00 36.38 32.35 1wg4 s VAL 42 CO 0.04 0.28 0.73 0.00 0.00 0.00 0.00 175.10 176.15 1wg4 s TYR 44 N -2.87 -0.18 -0.20 0.00 5.04 -1.26 -5.01 117.35 112.86 1wg4 s TYR 44 Ca -0.04 0.42 -0.05 0.00 -2.44 0.00 0.00 57.07 54.97 1wg4 s TYR 44 Cb 0.09 0.06 0.10 0.00 0.35 0.00 0.00 41.96 42.56 1wg4 s TYR 44 CO 0.82 -0.16 0.37 0.00 -1.34 0.00 0.00 175.55 175.24 1wg4 s ALA 45 N -0.23 -1.00 0.20 3.97 0.00 -1.26 -1.77 121.76 121.68 1wg4 s ALA 45 Ca -0.03 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.07 1wg4 s ALA 45 Cb -0.03 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1wg4 s ALA 45 CO 0.01 -0.96 0.02 0.34 0.00 0.00 0.00 175.76 175.17 1wg4 s ASP 46 N 2.54 1.32 -0.01 0.00 2.15 -0.52 -4.86 116.67 117.29 1wg4 s ASP 46 Ca 0.05 -1.23 -0.03 0.00 0.43 0.00 0.00 52.55 51.77 1wg4 s ASP 46 Cb -0.14 0.11 -0.00 0.00 -0.30 0.00 0.00 42.92 42.59 1wg4 s ASP 46 CO -0.13 -0.59 0.06 -0.69 -0.17 0.00 0.00 175.17 173.65 1wg4 s VAL 47 N -3.63 0.04 0.38 1.11 1.01 -1.26 -1.28 120.40 116.76 1wg4 s VAL 47 Ca 0.28 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1wg4 s VAL 47 Cb 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 36.16 1wg4 s VAL 47 CO 0.07 -0.20 -0.03 -1.10 0.00 0.00 0.00 175.10 173.84 1wg4 s GLN 48 N -0.61 1.88 1.14 2.72 -0.21 0.08 -4.98 119.66 119.68 1wg4 s GLN 48 Ca -0.07 -2.03 -0.13 0.00 0.02 0.00 0.00 55.36 53.16 1wg4 s GLN 48 Cb -0.04 -1.61 0.27 0.00 1.00 0.00 0.00 33.01 32.63 1wg4 s GLN 48 CO 0.00 0.02 1.04 0.21 -2.12 0.00 0.00 175.29 174.44 1wg4 s LYS 49 N -3.68 -0.76 0.00 2.91 2.20 -1.26 -3.27 119.74 115.88 1wg4 s LYS 49 Ca 0.34 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1wg4 s LYS 49 Cb 0.07 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.81 1wg4 s LYS 49 CO 0.17 -3.61 0.00 -3.47 -0.36 0.00 0.00 175.35 168.08 1wg4 n ASP 50 N -4.83 0.00 0.00 1.43 -0.08 -1.26 -3.38 116.55 108.43 1wg4 n ASP 50 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1wg4 n ASP 50 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 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 0.08 3.78 0.27 0.00 -1.20 -4.65 105.19 103.47 1wg4 n GLY 51 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.01 0.27 1.61 -1.94 -1.22 -1.09 119.30 119.94 1wg4 s MET 52 Ca 0.00 1.34 -0.10 0.00 -1.71 0.00 0.00 55.69 55.22 1wg4 s MET 52 Cb 0.00 -1.98 -0.00 0.00 2.01 0.00 0.00 34.83 34.85 1wg4 s MET 52 CO 0.00 -1.07 0.47 0.20 -0.01 0.00 0.00 175.02 174.60 1wg4 s GLY 53 N -2.59 0.77 -0.08 -0.03 0.00 0.33 -0.74 107.32 104.97 1wg4 s GLY 53 Ca 0.66 -1.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 1wg4 s GLY 53 CO 0.39 -0.74 0.33 -0.29 0.00 0.00 0.00 173.10 172.79 1wg4 s MET 54 N -3.77 0.49 -0.18 2.90 1.75 -0.41 -1.76 119.30 118.32 1wg4 s MET 54 Ca 0.25 0.22 -0.08 0.00 -1.25 0.00 0.00 55.69 54.84 1wg4 s MET 54 Cb -0.00 0.23 0.07 0.00 2.84 0.00 0.00 34.83 37.97 1wg4 s MET 54 CO 0.11 -0.10 0.39 0.14 -0.65 0.00 0.00 175.02 174.92 1wg4 s VAL 55 N -0.38 -0.35 0.24 10.11 -7.23 -1.14 -1.44 120.40 120.21 1wg4 s VAL 55 Ca -0.05 0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 60.23 1wg4 s VAL 55 Cb -0.03 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 1wg4 s VAL 55 CO 0.02 0.06 0.49 -1.61 -0.31 0.00 0.00 175.10 173.75 1wg4 s GLU 56 N 2.05 3.62 0.01 4.82 2.02 -0.73 -0.88 118.70 129.61 1wg4 s GLU 56 Ca -0.05 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 54.92 1wg4 s GLU 56 Cb -0.10 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1wg4 s GLU 56 CO -0.12 0.31 -0.16 0.71 0.02 0.00 0.00 175.26 176.01 1wg4 s TYR 57 N -1.95 1.41 -1.64 1.61 2.02 0.19 -3.23 117.35 115.76 1wg4 s TYR 57 Ca 0.42 -0.31 0.30 0.00 -0.37 0.00 0.00 57.07 57.11 1wg4 s TYR 57 Cb -0.11 -0.87 1.43 0.00 -0.40 0.00 0.00 41.96 42.01 1wg4 s TYR 57 CO 0.28 0.02 1.98 1.28 -1.57 0.00 0.00 175.55 177.54 1wg4 n LEU 58 N 2.29 0.25 -4.01 -1.29 7.99 -1.24 -4.31 117.00 116.69 1wg4 n LEU 58 Ca -0.16 0.10 -0.22 0.00 -0.01 0.00 0.00 56.01 55.72 1wg4 n LEU 58 Cb 0.54 -0.19 -0.16 0.00 -0.11 0.00 0.00 43.42 43.51 1wg4 n LEU 58 CO 0.24 0.05 -0.45 -0.13 -1.51 0.00 0.00 177.39 175.59 1wg4 s ARG 59 N -2.43 1.14 0.05 3.23 1.81 -1.26 -5.02 118.95 116.47 1wg4 s ARG 59 Ca 0.32 -0.33 -0.32 0.00 -1.72 0.00 0.00 55.73 53.67 1wg4 s ARG 59 Cb 0.20 -1.04 -0.18 0.00 -0.45 0.00 0.00 34.95 33.48 1wg4 s ARG 59 CO 0.45 0.10 1.51 -0.22 -0.68 0.00 0.00 175.30 176.46 1wg4 h LYS 60 N 6.53 -0.89 -0.73 3.54 3.64 -1.93 -2.81 116.57 123.92 1wg4 h LYS 60 Ca -0.33 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1wg4 h LYS 60 Cb 1.17 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 33.06 1wg4 h LYS 60 CO 0.48 -0.57 -0.30 0.93 -2.27 0.00 0.00 179.45 177.72 1wg4 h GLU 61 N -1.00 -0.08 -0.77 1.90 5.08 -1.99 0.36 114.58 118.09 1wg4 h GLU 61 Ca -0.09 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1wg4 h GLU 61 Cb 0.73 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.85 1wg4 h GLU 61 CO 0.16 -0.05 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.46 1wg4 h ASP 62 N -0.08 -0.78 -0.14 1.42 3.32 -1.87 1.43 116.42 119.72 1wg4 h ASP 62 Ca 0.30 0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.62 1wg4 h ASP 62 Cb 0.57 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 40.56 1wg4 h ASP 62 CO -0.78 -0.26 -0.49 -0.03 -1.72 0.00 0.00 179.24 175.95 1wg4 h MET 63 N -0.01 -0.50 -0.51 3.56 4.05 -0.04 0.47 114.93 121.95 1wg4 h MET 63 Ca 0.36 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.79 1wg4 h MET 63 Cb 0.57 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1wg4 h MET 63 CO -0.80 -0.33 0.24 0.93 0.23 0.00 0.00 176.91 177.18 1wg4 h GLU 64 N -0.52 0.74 0.07 0.39 5.08 -0.74 0.52 114.58 120.13 1wg4 h GLU 64 Ca 0.03 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1wg4 h GLU 64 Cb 0.61 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1wg4 h GLU 64 CO -0.41 0.63 -0.44 -0.92 -1.00 0.00 0.00 179.01 176.87 1wg4 h TYR 65 N 0.68 -1.28 -0.83 4.33 5.03 0.27 0.26 116.97 125.43 1wg4 h TYR 65 Ca 0.17 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.54 1wg4 h TYR 65 Cb 0.14 0.55 -0.04 0.00 1.55 0.00 0.00 36.73 38.92 1wg4 h TYR 65 CO -0.00 -0.49 0.55 0.00 -1.32 0.00 0.00 178.16 176.90 1wg4 h ALA 66 N -0.69 1.45 -0.07 1.82 0.00 -0.04 0.60 119.26 122.33 1wg4 h ALA 66 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wg4 h ALA 66 Cb 0.62 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1wg4 h ALA 66 CO -0.26 0.49 -0.29 -0.07 0.00 0.00 0.00 179.25 179.13 1wg4 h LEU 67 N 1.08 -0.88 0.09 0.00 3.38 0.28 0.47 115.31 119.72 1wg4 h LEU 67 Ca 0.32 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 1wg4 h LEU 67 Cb -0.05 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1wg4 h LEU 67 CO -0.08 -0.34 -0.04 0.03 0.09 0.00 0.00 178.44 178.09 1wg4 h ARG 68 N -0.40 -0.11 -0.81 1.13 2.47 0.05 0.65 114.38 117.36 1wg4 h ARG 68 Ca 0.08 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.88 1wg4 h ARG 68 Cb 0.52 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 28.76 1wg4 h ARG 68 CO -0.29 -0.08 -0.48 1.63 0.56 0.00 0.00 179.97 181.32 1wg4 n LYS 69 N -2.81 -0.35 0.27 0.04 4.01 0.20 -1.28 118.16 118.25 1wg4 n LYS 69 Ca -0.01 1.23 -0.11 0.00 -0.51 0.00 0.00 58.31 58.90 1wg4 n LYS 69 Cb 0.05 -1.80 -0.05 0.00 -0.51 0.00 0.00 35.03 32.71 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 -0.19 -3.47 115.31 114.08 1wg4 h LEU 70 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wg4 h LEU 70 Cb 0.34 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wg4 h LEU 70 CO -0.76 -0.31 0.00 -0.67 0.09 0.00 0.00 178.44 176.78 1wg4 n ASP 71 N -4.55 0.00 -2.46 -0.43 2.03 0.23 -3.57 116.55 107.80 1wg4 n ASP 71 Ca -0.09 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.18 1wg4 n ASP 71 Cb 0.28 0.00 -0.04 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 1.35 -2.39 -3.73 1.67 -0.08 -1.20 -4.85 116.55 107.33 1wg4 n ASP 72 Ca 0.00 1.38 -0.24 0.00 -1.51 0.00 0.00 54.79 54.42 1wg4 n ASP 72 Cb 0.00 -4.99 -0.07 0.00 2.34 0.00 0.00 41.12 38.40 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1wg4 n THR 73 N 1.63 0.00 -3.57 5.18 -2.24 -0.69 -4.95 114.28 109.63 1wg4 n THR 73 Ca -0.31 -2.35 -0.40 0.00 -2.27 0.00 0.00 64.05 58.72 1wg4 n THR 73 Cb 0.48 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.53 1wg4 n THR 73 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wg4 s LYS 74 N -3.50 2.50 -0.14 -0.78 2.20 -1.26 -2.61 119.74 116.15 1wg4 s LYS 74 Ca 0.23 -1.87 -0.20 0.00 -0.36 0.00 0.00 55.97 53.78 1wg4 s LYS 74 Cb 0.01 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 1wg4 s LYS 74 CO 0.17 -1.19 0.55 0.12 -0.36 0.00 0.00 175.35 174.64 1wg4 s PHE 75 N 1.16 3.47 -0.25 4.03 5.36 -0.63 -4.91 117.98 126.21 1wg4 s PHE 75 Ca 0.07 0.93 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 1wg4 s PHE 75 Cb -0.25 -2.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.73 1wg4 s PHE 75 CO -0.02 0.03 0.32 0.50 -1.46 0.00 0.00 175.22 174.60 1wg4 s ARG 76 N 1.13 4.05 0.90 10.12 3.52 -1.26 -1.92 118.95 135.49 1wg4 s ARG 76 Ca 0.28 -0.02 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 1wg4 s ARG 76 Cb -0.16 -3.61 0.13 0.00 -1.56 0.00 0.00 34.95 29.75 1wg4 s ARG 76 CO 0.11 -0.16 1.09 -1.54 -0.81 0.00 0.00 175.30 173.99 1wg4 s SER 77 N 1.44 3.41 0.16 -2.12 1.04 0.33 -4.87 113.70 113.10 1wg4 s SER 77 Ca 0.14 1.46 0.19 0.00 0.48 0.00 0.00 55.95 58.22 1wg4 s SER 77 Cb -0.15 -2.14 0.82 0.00 0.10 0.00 0.00 66.02 64.65 1wg4 s SER 77 CO 0.09 -2.67 1.58 1.57 0.98 0.00 0.00 173.24 174.79 1wg4 n HIS 78 N -3.90 0.49 1.06 5.02 -0.00 -1.24 -1.00 115.22 115.65 1wg4 n HIS 78 Ca 0.07 0.20 0.11 0.00 0.46 0.00 0.00 57.72 58.56 1wg4 n HIS 78 Cb 0.55 -0.82 0.09 0.00 -0.12 0.00 0.00 29.99 29.69 1wg4 n HIS 78 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1wg4 n GLU 79 N -1.96 0.74 0.00 1.57 -0.58 -1.26 -4.96 120.64 114.19 1wg4 n GLU 79 Ca 0.02 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 1wg4 n GLU 79 Cb 0.18 -1.49 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 1.43 3.09 3.25 0.62 0.00 -0.17 -5.06 105.19 108.35 1wg4 n GLY 80 Ca 0.08 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 0.06 -4.22 1.61 1.02 -1.26 -4.14 120.64 113.71 1wg4 n GLU 81 Ca 0.00 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 1wg4 n GLU 81 Cb 0.00 -1.10 -0.12 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.97 1.13 0.17 2.62 -4.23 -1.26 0.12 115.64 112.22 1wg4 s THR 82 Ca 0.56 -1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 59.73 1wg4 s THR 82 Cb -0.45 -1.07 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 1wg4 s THR 82 CO 0.67 -0.16 0.33 -0.44 -0.54 0.00 0.00 174.62 174.47 1wg4 s SER 83 N -1.59 -0.01 -0.40 3.99 0.01 -0.81 -4.93 113.70 109.96 1wg4 s SER 83 Ca -0.01 -0.82 -0.12 0.00 1.31 0.00 0.00 55.95 56.31 1wg4 s SER 83 Cb -0.09 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.64 1wg4 s SER 83 CO 0.02 -0.93 0.26 -0.31 0.41 0.00 0.00 173.24 172.69 1wg4 s TYR 84 N -3.96 3.25 -0.17 2.43 1.51 -1.24 -1.60 117.35 117.57 1wg4 s TYR 84 Ca 0.16 -0.94 -0.06 0.00 -1.01 0.00 0.00 57.07 55.22 1wg4 s TYR 84 Cb 0.02 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1wg4 s TYR 84 CO 0.00 -0.68 0.02 0.96 -1.11 0.00 0.00 175.55 174.74 1wg4 s ILE 85 N 1.58 4.42 0.23 2.71 -4.36 -1.07 -4.45 121.20 120.25 1wg4 s ILE 85 Ca 0.03 -0.17 -0.10 0.00 -0.26 0.00 0.00 60.65 60.15 1wg4 s ILE 85 Cb -0.20 -2.97 -0.07 0.00 1.25 0.00 0.00 42.46 40.47 1wg4 s ILE 85 CO 0.07 0.48 0.56 -0.13 0.24 0.00 0.00 174.94 176.15 1wg4 s ARG 86 N 0.35 3.81 -0.24 0.37 1.81 -0.93 -1.71 118.95 122.41 1wg4 s ARG 86 Ca 0.00 0.29 -0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1wg4 s ARG 86 Cb -0.13 -2.64 0.03 0.00 -0.45 0.00 0.00 34.95 31.76 1wg4 s ARG 86 CO 0.01 0.31 -0.09 0.08 -0.68 0.00 0.00 175.30 174.94 1wg4 s VAL 87 N -1.82 2.63 0.06 3.52 1.01 -1.26 -3.19 120.40 121.34 1wg4 s VAL 87 Ca 0.48 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1wg4 s VAL 87 Cb -0.11 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 1wg4 s VAL 87 CO 0.21 0.20 0.16 -0.72 0.00 0.00 0.00 175.10 174.95 1wg4 s TYR 88 N 1.28 0.14 1.07 5.22 1.13 -0.80 -4.59 117.35 120.80 1wg4 s TYR 88 Ca -0.01 -0.47 -0.17 0.00 -1.41 0.00 0.00 57.07 55.01 1wg4 s TYR 88 Cb -0.17 -0.08 0.23 0.00 -1.10 0.00 0.00 41.96 40.84 1wg4 s TYR 88 CO -0.06 -0.45 1.21 -1.25 -2.51 0.00 0.00 175.55 172.49 1wg4 s PRO 89 N -3.09 -0.18 0.12 -3.49 0.04 -1.26 0.89 135.00 128.03 1wg4 s PRO 89 Ca -0.01 -0.20 -0.19 0.00 0.04 0.00 0.00 61.00 60.64 1wg4 s PRO 89 Cb 0.01 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.75 1wg4 s PRO 89 CO -0.07 -2.99 0.60 -2.00 0.04 0.00 0.00 177.00 172.58 1wg4 s GLU 90 N -5.63 4.19 -0.30 4.56 -6.30 -1.26 -4.66 118.70 109.30 1wg4 s GLU 90 Ca 0.72 0.73 -0.18 0.00 -2.50 0.00 0.00 54.97 53.74 1wg4 s GLU 90 Cb -0.07 -3.13 0.18 0.00 0.00 0.00 0.00 34.13 31.12 1wg4 s GLU 90 CO 0.54 0.57 1.18 0.50 0.02 0.00 0.00 175.26 178.07 1wg4 s ARG 91 N -1.41 0.13 -0.41 4.30 3.52 -1.26 -5.10 118.95 118.71 1wg4 s ARG 91 Ca 0.33 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.29 1wg4 s ARG 91 Cb -0.18 0.19 0.18 0.00 -1.56 0.00 0.00 34.95 33.57 1wg4 s ARG 91 CO 0.20 -0.04 0.37 0.45 -0.81 0.00 0.00 175.30 175.46 1wg4 n SER 92 N 4.67 -0.38 -1.42 -2.12 2.88 -1.26 -5.10 113.62 110.90 1wg4 n SER 92 Ca -0.08 -2.42 0.11 0.00 -1.33 0.00 0.00 58.87 55.15 1wg4 n SER 92 Cb 0.55 -0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 1wg4 n SER 92 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wg4 n SER 93 N 2.63 -7.67 -4.64 -3.46 2.88 -1.26 -4.69 113.62 97.41 1wg4 n SER 93 Ca 0.29 1.54 -0.43 0.00 -1.33 0.00 0.00 58.87 58.93 1wg4 n SER 93 Cb 0.49 -4.76 -0.02 0.00 -0.75 0.00 0.00 64.21 59.16 1wg4 n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wg4 s GLY 94 N -6.49 1.48 0.44 0.46 0.00 -1.26 -5.01 107.32 96.94 1wg4 s GLY 94 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 44.72 44.54 1wg4 s GLY 94 CO 0.00 2.44 1.05 2.56 0.00 0.00 0.00 173.10 179.14 1wg4 s PRO 95 N 3.90 4.00 -0.39 2.90 0.04 -1.26 -5.03 135.00 139.15 1wg4 s PRO 95 Ca 0.51 1.45 0.03 0.00 0.04 0.00 0.00 61.00 63.04 1wg4 s PRO 95 Cb -0.15 -2.35 0.16 0.00 0.04 0.00 0.00 34.50 32.21 1wg4 s PRO 95 CO 0.19 -0.27 0.39 0.45 0.04 0.00 0.00 177.00 177.80 1wg4 s SER 96 N -1.74 1.12 0.19 6.66 0.15 -1.26 -4.97 113.70 113.85 1wg4 s SER 96 Ca 0.62 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1wg4 s SER 96 Cb -0.20 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wg4 s SER 96 CO 0.24 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 174.22 1wg4 n SER 97 N 3.82 0.25 0.00 5.45 2.88 -1.26 -5.35 113.62 119.41 1wg4 n SER 97 Ca 0.16 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1wg4 n SER 97 Cb 0.46 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1wg4 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42