#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 -8.32 -4.08 1.61 7.64 -1.26 -4.94 113.62 104.27 1wg4 n SER 2 Ca 0.00 1.77 -0.35 0.00 1.01 0.00 0.00 58.87 61.30 1wg4 n SER 2 Cb 0.00 -4.78 -0.11 0.00 -1.01 0.00 0.00 64.21 58.31 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg4 s SER 3 N -0.53 5.12 0.00 6.43 0.15 -1.26 -4.97 113.70 118.64 1wg4 s SER 3 Ca -0.00 -2.49 0.00 0.00 0.70 0.00 0.00 55.95 54.16 1wg4 s SER 3 Cb 0.00 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1wg4 s SER 3 CO 0.01 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1wg4 n GLY 4 N 3.95 -0.58 3.48 9.45 0.00 -1.26 -5.13 105.19 115.10 1wg4 n GLY 4 Ca 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1wg4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg4 s SER 5 N -4.00 -0.75 -0.21 1.61 1.04 -1.26 -5.07 113.70 105.05 1wg4 s SER 5 Ca 0.00 1.24 -0.29 0.00 0.48 0.00 0.00 55.95 57.37 1wg4 s SER 5 Cb 0.00 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.24 1wg4 s SER 5 CO 0.00 -0.22 1.13 -0.94 0.98 0.00 0.00 173.24 174.19 1wg4 s SER 6 N 1.46 7.02 -0.35 7.02 1.04 -1.26 -4.97 113.70 123.66 1wg4 s SER 6 Ca -0.09 1.47 0.01 0.00 0.48 0.00 0.00 55.95 57.82 1wg4 s SER 6 Cb -0.06 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.66 1wg4 s SER 6 CO -0.16 -0.73 0.31 -0.83 0.98 0.00 0.00 173.24 172.81 1wg4 s GLY 7 N 1.56 0.19 0.00 7.32 0.00 -1.26 -5.03 107.32 110.10 1wg4 s GLY 7 Ca 0.48 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1wg4 s GLY 7 CO 0.10 2.53 0.00 0.61 0.00 0.00 0.00 173.10 176.35 1wg4 n GLY 8 N 4.43 -0.44 3.80 0.20 0.00 -1.26 -5.14 105.19 106.77 1wg4 n GLY 8 Ca 0.08 0.38 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 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 0.29 3.76 0.18 1.61 0.04 -1.26 -5.01 135.00 134.61 1wg4 s PRO 9 Ca 0.00 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1wg4 s PRO 9 Cb 0.00 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1wg4 s PRO 9 CO 0.00 -0.46 1.12 -1.25 0.04 0.00 0.00 177.00 176.44 1wg4 s PRO 10 N -3.34 4.58 -0.26 0.56 0.04 -1.26 -4.98 135.00 130.33 1wg4 s PRO 10 Ca 0.67 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 1wg4 s PRO 10 Cb -0.16 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 1wg4 s PRO 10 CO 0.22 0.05 1.27 -0.08 0.04 0.00 0.00 177.00 178.50 1wg4 s THR 11 N -0.24 4.21 -1.33 1.26 -1.32 -1.26 -4.90 115.64 112.05 1wg4 s THR 11 Ca 0.50 1.40 -0.10 0.00 -1.21 0.00 0.00 61.69 62.28 1wg4 s THR 11 Cb -0.30 -4.13 -0.07 0.00 -1.51 0.00 0.00 72.50 66.49 1wg4 s THR 11 CO 0.35 -0.38 2.54 -2.11 -2.21 0.00 0.00 174.62 172.82 1wg4 n ARG 12 N 7.08 2.96 -4.47 7.08 0.00 -1.26 -4.82 116.66 123.22 1wg4 n ARG 12 Ca 0.14 -2.01 -0.23 0.00 -0.00 0.00 0.00 57.85 55.76 1wg4 n ARG 12 Cb 0.46 -2.77 -0.10 0.00 -0.00 0.00 0.00 32.46 30.05 1wg4 n ARG 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1wg4 s ARG 13 N 2.88 1.74 1.00 2.89 3.00 -1.26 -5.13 118.95 124.07 1wg4 s ARG 13 Ca 0.57 -2.00 -0.19 0.00 0.00 0.00 0.00 55.73 54.11 1wg4 s ARG 13 Cb 0.15 -0.78 -0.13 0.00 0.00 0.00 0.00 34.95 34.19 1wg4 s ARG 13 CO -0.04 -0.29 -0.79 0.43 0.00 0.00 0.00 175.30 174.61 1wg4 n SER 14 N -0.87 -4.67 -3.66 0.23 7.64 -1.26 -4.88 113.62 106.14 1wg4 n SER 14 Ca -0.04 0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 1wg4 n SER 14 Cb 0.66 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 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 2.64 4.80 -3.36 6.43 8.00 -1.26 -4.93 116.55 128.86 1wg4 n ASP 15 Ca -0.01 -3.43 -0.15 0.00 0.71 0.00 0.00 54.79 51.92 1wg4 n ASP 15 Cb 0.61 -0.91 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.58 -0.61 0.49 1.24 0.08 -1.26 -5.05 117.98 110.28 1wg4 s PHE 16 Ca 0.36 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.29 1wg4 s PHE 16 Cb 0.11 -0.36 -0.02 0.00 -0.57 0.00 0.00 43.02 42.18 1wg4 s PHE 16 CO 0.03 -0.95 0.03 -0.98 -0.10 0.00 0.00 175.22 173.25 1wg4 s ARG 17 N 2.25 2.13 -0.07 0.44 1.70 -1.26 -0.75 118.95 123.39 1wg4 s ARG 17 Ca 0.11 -2.34 -0.01 0.00 -0.47 0.00 0.00 55.73 53.02 1wg4 s ARG 17 Cb -0.14 -1.36 0.03 0.00 -0.57 0.00 0.00 34.95 32.91 1wg4 s ARG 17 CO -0.27 -0.36 -0.01 0.14 -1.08 0.00 0.00 175.30 173.71 1wg4 s VAL 18 N -2.93 0.44 -0.04 4.99 -7.23 -0.41 -4.72 120.40 110.49 1wg4 s VAL 18 Ca 0.11 0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 60.05 1wg4 s VAL 18 Cb 0.02 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1wg4 s VAL 18 CO 0.06 0.25 0.89 -0.76 -0.31 0.00 0.00 175.10 175.23 1wg4 s LEU 19 N 1.67 4.33 0.06 1.32 1.43 0.29 -3.07 118.68 124.71 1wg4 s LEU 19 Ca 0.01 1.47 0.09 0.00 -1.03 0.00 0.00 54.13 54.67 1wg4 s LEU 19 Cb -0.13 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1wg4 s LEU 19 CO -0.04 -0.25 -0.26 -0.69 0.23 0.00 0.00 176.35 175.34 1wg4 s VAL 20 N 1.15 2.12 -0.05 -1.59 1.01 -0.29 -1.53 120.40 121.22 1wg4 s VAL 20 Ca 0.46 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1wg4 s VAL 20 Cb -0.19 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1wg4 s VAL 20 CO 0.23 0.30 0.36 -0.55 0.00 0.00 0.00 175.10 175.43 1wg4 s SER 21 N -1.39 -0.28 0.00 3.32 0.15 -1.20 0.16 113.70 114.47 1wg4 s SER 21 Ca 0.12 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1wg4 s SER 21 Cb -0.10 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1wg4 s SER 21 CO 0.03 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1wg4 n GLY 22 N 1.65 1.75 3.78 9.45 0.00 -0.92 -2.15 105.19 118.75 1wg4 n GLY 22 Ca -0.19 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 3.34 0.97 0.99 1.43 0.13 -4.03 118.68 121.51 1wg4 s LEU 23 Ca 0.00 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.89 1wg4 s LEU 23 Cb 0.00 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 41.85 1wg4 s LEU 23 CO 0.00 -1.63 1.16 -2.16 0.23 0.00 0.00 176.35 173.96 1wg4 s PRO 24 N -4.26 0.68 0.21 1.29 0.04 -1.26 -4.61 135.00 127.09 1wg4 s PRO 24 Ca 0.65 0.12 0.25 0.00 0.04 0.00 0.00 61.00 62.06 1wg4 s PRO 24 Cb -0.19 -1.80 0.90 0.00 0.04 0.00 0.00 34.50 33.45 1wg4 s PRO 24 CO 0.44 -2.47 1.74 -0.35 0.04 0.00 0.00 177.00 176.39 1wg4 n PRO 25 N -3.92 0.20 -0.01 0.56 -0.04 -1.26 -3.08 135.00 127.45 1wg4 n PRO 25 Ca 0.09 0.30 0.02 0.00 -0.04 0.00 0.00 63.50 63.87 1wg4 n PRO 25 Cb 0.59 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 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 -2.17 3.02 -4.24 3.54 7.64 -1.26 -5.04 113.62 115.10 1wg4 n SER 26 Ca 0.04 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.52 1wg4 n SER 26 Cb 0.32 1.21 0.01 0.00 -1.01 0.00 0.00 64.21 64.74 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 2.14 -3.04 3.30 0.23 0.00 -1.18 -4.54 105.19 102.10 1wg4 n GLY 27 Ca -0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1wg4 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg4 s SER 28 N -0.99 1.13 0.14 1.61 1.04 -1.26 -4.88 113.70 110.49 1wg4 s SER 28 Ca 0.57 -1.35 -0.08 0.00 0.48 0.00 0.00 55.95 55.58 1wg4 s SER 28 Cb -0.54 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 1wg4 s SER 28 CO 0.65 -0.71 1.40 4.11 0.98 0.00 0.00 173.24 179.67 1wg4 h TRP 29 N 2.45 0.89 0.00 5.02 5.08 -1.92 -1.66 115.95 125.82 1wg4 h TRP 29 Ca -0.38 -0.36 0.00 0.00 1.08 0.00 0.00 58.89 59.23 1wg4 h TRP 29 Cb 1.24 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 1wg4 h TRP 29 CO 0.46 1.15 0.00 0.94 -1.28 0.00 0.00 178.44 179.72 1wg4 n GLN 30 N -3.94 0.00 -0.20 0.12 0.00 -1.26 0.12 117.38 112.22 1wg4 n GLN 30 Ca -0.05 0.58 0.20 0.00 -0.00 0.00 0.00 57.00 57.73 1wg4 n GLN 30 Cb 0.68 -1.44 0.56 0.00 0.00 0.00 0.00 30.24 30.04 1wg4 n GLN 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1wg4 h ASP 31 N 0.00 0.31 0.16 1.69 5.19 -1.94 0.95 116.42 122.77 1wg4 h ASP 31 Ca 0.00 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1wg4 h ASP 31 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1wg4 h ASP 31 CO 0.00 0.13 -0.08 0.25 -3.12 0.00 0.00 179.24 176.42 1wg4 h LEU 32 N 0.31 -0.18 0.56 1.55 6.46 -0.66 -2.52 115.31 120.84 1wg4 h LEU 32 Ca 0.43 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 58.10 1wg4 h LEU 32 Cb 1.18 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1wg4 h LEU 32 CO -0.12 -0.05 -0.51 0.50 -0.62 0.00 0.00 178.44 177.63 1wg4 h LYS 33 N -0.30 -1.02 -1.81 1.25 3.64 0.33 0.55 116.57 119.21 1wg4 h LYS 33 Ca -0.02 0.07 0.52 0.00 -1.27 0.00 0.00 60.65 59.95 1wg4 h LYS 33 Cb 0.24 0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 1wg4 h LYS 33 CO 0.04 -0.68 1.38 -0.44 -2.27 0.00 0.00 179.45 177.48 1wg4 h ASP 34 N -1.06 0.00 0.00 4.20 3.32 -1.16 1.45 116.42 123.17 1wg4 h ASP 34 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1wg4 h ASP 34 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1wg4 h ASP 34 CO -0.03 0.00 -0.24 -0.74 -1.72 0.00 0.00 179.24 176.50 1wg4 h HIS 35 N 0.00 0.00 -0.98 4.55 2.76 -0.48 -3.37 115.15 117.63 1wg4 h HIS 35 Ca 0.86 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 59.24 1wg4 h HIS 35 Cb 3.61 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 32.48 1wg4 h HIS 35 CO 0.00 0.00 0.62 0.52 -1.30 0.00 0.00 177.93 177.77 1wg4 h MET 36 N -0.95 0.56 -0.83 5.26 2.86 0.37 0.20 114.93 122.41 1wg4 h MET 36 Ca 0.00 -0.03 0.24 0.00 -2.06 0.00 0.00 59.70 57.85 1wg4 h MET 36 Cb 0.24 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1wg4 h MET 36 CO 0.00 0.37 0.99 0.00 1.06 0.00 0.00 176.91 179.33 1wg4 h ARG 37 N 0.58 0.00 -0.60 1.72 2.47 0.16 -1.35 114.38 117.36 1wg4 h ARG 37 Ca 0.55 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.52 1wg4 h ARG 37 Cb 1.11 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.32 1wg4 h ARG 37 CO -0.30 0.00 0.30 0.39 0.56 0.00 0.00 179.97 180.92 1wg4 n GLU 38 N -3.35 -0.04 0.00 0.04 -0.58 0.70 0.28 120.64 117.69 1wg4 n GLU 38 Ca 0.18 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1wg4 n GLU 38 Cb 1.26 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 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 -2.60 -0.38 -2.00 0.62 0.00 -0.51 -4.95 120.51 110.69 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 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.83 1.56 3.27 0.00 0.00 0.14 -4.88 105.19 104.45 1wg4 n GLY 40 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 1.84 3.95 -0.10 1.61 2.15 -1.26 -4.74 116.67 120.12 1wg4 s ASP 41 Ca 0.00 -0.45 -0.24 0.00 0.43 0.00 0.00 52.55 52.29 1wg4 s ASP 41 Cb 0.00 -1.65 -0.03 0.00 -0.30 0.00 0.00 42.92 40.94 1wg4 s ASP 41 CO 0.00 0.02 0.76 -0.69 -0.17 0.00 0.00 175.17 175.08 1wg4 s VAL 42 N 1.23 4.98 -0.07 1.11 1.01 -1.26 -3.56 120.40 123.85 1wg4 s VAL 42 Ca 0.03 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1wg4 s VAL 42 Cb -0.14 -4.08 -0.25 0.00 0.00 0.00 0.00 36.38 31.91 1wg4 s VAL 42 CO -0.04 0.17 0.58 0.00 0.00 0.00 0.00 175.10 175.81 1wg4 s TYR 44 N -2.59 -0.09 -0.15 0.00 5.04 -1.08 -4.99 117.35 113.50 1wg4 s TYR 44 Ca -0.11 0.21 -0.05 0.00 -2.44 0.00 0.00 57.07 54.67 1wg4 s TYR 44 Cb 0.07 0.02 0.07 0.00 0.35 0.00 0.00 41.96 42.47 1wg4 s TYR 44 CO 0.81 -0.13 0.30 0.00 -1.34 0.00 0.00 175.55 175.19 1wg4 s ALA 45 N -0.33 -0.70 0.21 3.97 0.00 -1.26 -0.58 121.76 123.07 1wg4 s ALA 45 Ca -0.04 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1wg4 s ALA 45 Cb -0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1wg4 s ALA 45 CO 0.00 -0.67 0.04 0.34 0.00 0.00 0.00 175.76 175.48 1wg4 s ASP 46 N 2.47 1.15 0.01 0.00 2.15 0.30 -4.91 116.67 117.83 1wg4 s ASP 46 Ca 0.01 -1.26 0.01 0.00 0.43 0.00 0.00 52.55 51.73 1wg4 s ASP 46 Cb -0.12 0.15 -0.01 0.00 -0.30 0.00 0.00 42.92 42.64 1wg4 s ASP 46 CO -0.10 -0.64 -0.04 -0.69 -0.17 0.00 0.00 175.17 173.53 1wg4 s VAL 47 N -3.72 0.31 0.36 1.11 1.01 -1.26 -1.05 120.40 117.16 1wg4 s VAL 47 Ca 0.30 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1wg4 s VAL 47 Cb 0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 1wg4 s VAL 47 CO 0.08 -0.07 0.00 -1.10 0.00 0.00 0.00 175.10 174.02 1wg4 s GLN 48 N -0.51 2.00 0.98 2.72 -0.21 0.12 -4.97 119.66 119.79 1wg4 s GLN 48 Ca -0.03 -1.88 -0.12 0.00 0.02 0.00 0.00 55.36 53.35 1wg4 s GLN 48 Cb -0.04 -1.82 0.18 0.00 1.00 0.00 0.00 33.01 32.33 1wg4 s GLN 48 CO -0.00 0.07 1.08 -1.59 -2.12 0.00 0.00 175.29 172.73 1wg4 s LYS 49 N -3.71 0.59 0.00 2.91 -2.85 -1.26 -3.04 119.74 112.38 1wg4 s LYS 49 Ca 0.35 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.23 1wg4 s LYS 49 Cb 0.03 -1.72 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 1wg4 s LYS 49 CO 0.19 -2.73 0.00 -3.47 0.10 0.00 0.00 175.35 169.44 1wg4 n ASP 50 N -4.23 0.00 0.00 0.03 2.03 -1.26 -3.31 116.55 109.81 1wg4 n ASP 50 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1wg4 n ASP 50 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 0.62 3.81 0.27 0.00 -1.20 -4.66 105.19 104.03 1wg4 n GLY 51 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.02 0.15 1.61 -1.94 -1.17 -0.69 119.30 120.28 1wg4 s MET 52 Ca 0.00 1.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.96 1wg4 s MET 52 Cb 0.00 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 34.84 1wg4 s MET 52 CO 0.00 -1.04 0.31 0.20 -0.01 0.00 0.00 175.02 174.48 1wg4 s GLY 53 N -3.32 0.27 -0.11 -0.03 0.00 0.44 -0.71 107.32 103.86 1wg4 s GLY 53 Ca 0.61 -0.68 -0.09 0.00 0.00 0.00 0.00 44.72 44.55 1wg4 s GLY 53 CO 0.47 -0.71 0.29 -0.29 0.00 0.00 0.00 173.10 172.87 1wg4 s MET 54 N -3.92 0.33 -0.09 2.90 1.75 -0.22 -1.13 119.30 118.91 1wg4 s MET 54 Ca 0.13 0.45 -0.04 0.00 -1.25 0.00 0.00 55.69 54.98 1wg4 s MET 54 Cb 0.03 0.12 0.05 0.00 2.84 0.00 0.00 34.83 37.87 1wg4 s MET 54 CO -0.03 -0.06 0.18 0.14 -0.65 0.00 0.00 175.02 174.60 1wg4 s VAL 55 N 0.37 -0.26 -0.32 10.11 -7.23 -1.17 -0.54 120.40 121.36 1wg4 s VAL 55 Ca -0.02 0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 60.34 1wg4 s VAL 55 Cb -0.03 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1wg4 s VAL 55 CO -0.02 0.13 0.24 -0.70 -0.31 0.00 0.00 175.10 174.45 1wg4 s GLU 56 N 2.14 3.66 0.81 4.82 2.12 0.26 -1.29 118.70 131.22 1wg4 s GLU 56 Ca 0.01 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.76 1wg4 s GLU 56 Cb -0.12 -3.76 0.14 0.00 0.26 0.00 0.00 34.13 30.66 1wg4 s GLU 56 CO -0.06 -0.37 1.13 0.71 -0.54 0.00 0.00 175.26 176.12 1wg4 s TYR 57 N 1.78 1.83 -0.10 5.30 2.02 0.07 -1.18 117.35 127.08 1wg4 s TYR 57 Ca 0.07 0.09 0.19 0.00 -0.37 0.00 0.00 57.07 57.05 1wg4 s TYR 57 Cb -0.17 -3.47 -0.28 0.00 -0.40 0.00 0.00 41.96 37.64 1wg4 s TYR 57 CO 0.11 -2.03 0.27 1.28 -1.57 0.00 0.00 175.55 173.61 1wg4 n LEU 58 N -3.22 0.00 -4.30 -1.29 4.77 -1.23 -4.61 117.00 107.12 1wg4 n LEU 58 Ca 0.14 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 1wg4 n LEU 58 Cb 0.60 0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 1wg4 n LEU 58 CO 0.45 0.20 -0.55 -0.13 -1.33 0.00 0.00 177.39 176.04 1wg4 s ARG 59 N -2.98 1.69 0.08 3.23 1.81 -1.26 -4.79 118.95 116.74 1wg4 s ARG 59 Ca -0.08 -1.00 -0.30 0.00 -1.72 0.00 0.00 55.73 52.63 1wg4 s ARG 59 Cb 0.10 -1.80 -0.18 0.00 -0.45 0.00 0.00 34.95 32.62 1wg4 s ARG 59 CO 0.80 0.47 1.66 -0.22 -0.68 0.00 0.00 175.30 177.33 1wg4 h LYS 60 N 4.98 -0.61 -0.91 3.54 3.64 -1.92 -2.88 116.57 122.40 1wg4 h LYS 60 Ca -0.44 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.11 1wg4 h LYS 60 Cb 1.14 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1wg4 h LYS 60 CO 0.44 -0.41 -0.42 1.49 -2.27 0.00 0.00 179.45 178.29 1wg4 h GLU 61 N -0.63 -0.04 -0.83 1.90 4.81 -1.99 0.60 114.58 118.39 1wg4 h GLU 61 Ca -0.06 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1wg4 h GLU 61 Cb 0.49 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 29.72 1wg4 h GLU 61 CO 0.10 -0.03 -0.25 -0.44 -0.73 0.00 0.00 179.01 177.67 1wg4 h ASP 62 N -0.04 -0.91 0.02 1.04 3.32 -1.85 1.53 116.42 119.52 1wg4 h ASP 62 Ca 0.29 0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.60 1wg4 h ASP 62 Cb 0.56 0.56 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1wg4 h ASP 62 CO -0.92 -0.28 -0.23 -0.03 -1.72 0.00 0.00 179.24 176.05 1wg4 h MET 63 N -0.02 -0.29 -0.56 3.56 4.05 0.31 0.43 114.93 122.41 1wg4 h MET 63 Ca 0.38 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.87 1wg4 h MET 63 Cb 0.61 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.43 1wg4 h MET 63 CO -0.86 -0.20 0.28 0.93 0.23 0.00 0.00 176.91 177.29 1wg4 h GLU 64 N -0.31 0.52 0.05 0.39 5.08 -0.70 0.41 114.58 120.02 1wg4 h GLU 64 Ca 0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wg4 h GLU 64 Cb 0.32 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1wg4 h GLU 64 CO -0.15 0.34 -0.35 -0.92 -1.00 0.00 0.00 179.01 176.93 1wg4 h TYR 65 N 0.53 -1.03 -0.76 4.33 5.03 0.26 0.26 116.97 125.59 1wg4 h TYR 65 Ca 0.25 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.61 1wg4 h TYR 65 Cb 0.17 0.44 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 1wg4 h TYR 65 CO -0.10 -0.39 0.50 0.00 -1.32 0.00 0.00 178.16 176.85 1wg4 h ALA 66 N -0.85 1.50 -0.00 1.82 0.00 0.02 0.58 119.26 122.33 1wg4 h ALA 66 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wg4 h ALA 66 Cb 0.50 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1wg4 h ALA 66 CO -0.21 0.44 -0.37 -0.07 0.00 0.00 0.00 179.25 179.04 1wg4 h LEU 67 N 0.98 -1.10 0.13 0.00 3.38 0.88 0.48 115.31 120.06 1wg4 h LEU 67 Ca 0.29 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1wg4 h LEU 67 Cb -0.03 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wg4 h LEU 67 CO -0.08 -0.42 -0.06 0.03 0.09 0.00 0.00 178.44 178.00 1wg4 h ARG 68 N -0.52 -0.17 -0.78 1.13 2.47 -0.00 0.63 114.38 117.15 1wg4 h ARG 68 Ca 0.06 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1wg4 h ARG 68 Cb 0.60 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.87 1wg4 h ARG 68 CO -0.29 -0.11 -0.46 1.63 0.56 0.00 0.00 179.97 181.30 1wg4 n LYS 69 N -3.14 -0.34 0.28 0.04 4.01 0.20 -1.34 118.16 117.86 1wg4 n LYS 69 Ca -0.02 1.22 -0.11 0.00 -0.51 0.00 0.00 58.31 58.89 1wg4 n LYS 69 Cb 0.07 -1.80 -0.05 0.00 -0.51 0.00 0.00 35.03 32.73 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 -0.63 -0.11 -0.35 3.38 -0.15 -3.46 115.31 113.98 1wg4 h LEU 70 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wg4 h LEU 70 Cb 0.32 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wg4 h LEU 70 CO -0.73 -0.33 0.00 -0.67 0.09 0.00 0.00 178.44 176.79 1wg4 n ASP 71 N -4.63 0.00 -1.64 -0.43 2.03 0.22 -3.60 116.55 108.50 1wg4 n ASP 71 Ca -0.09 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.21 1wg4 n ASP 71 Cb 0.29 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.86 -2.91 -4.23 1.67 2.03 -1.20 -4.82 116.55 107.96 1wg4 n ASP 72 Ca 0.00 0.51 -0.13 0.00 0.52 0.00 0.00 54.79 55.69 1wg4 n ASP 72 Cb 0.00 -2.36 -0.10 0.00 -0.72 0.00 0.00 41.12 37.94 1wg4 n ASP 72 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1wg4 s THR 73 N -0.20 0.18 -0.61 5.18 -4.23 -0.46 -4.95 115.64 110.55 1wg4 s THR 73 Ca -0.05 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.29 1wg4 s THR 73 Cb 0.00 -2.48 0.12 0.00 1.34 0.00 0.00 72.50 71.48 1wg4 s THR 73 CO 0.13 -0.06 0.68 -0.75 -0.54 0.00 0.00 174.62 174.08 1wg4 s LYS 74 N -4.11 3.09 -0.01 3.99 2.20 -1.26 -1.80 119.74 121.84 1wg4 s LYS 74 Ca 0.37 -1.50 -0.24 0.00 -0.36 0.00 0.00 55.97 54.24 1wg4 s LYS 74 Cb 0.07 -4.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 1wg4 s LYS 74 CO 0.11 -1.49 0.73 0.12 -0.36 0.00 0.00 175.35 174.46 1wg4 s PHE 75 N 2.29 3.65 -0.33 4.03 5.36 0.29 -4.88 117.98 128.39 1wg4 s PHE 75 Ca 0.11 1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 57.35 1wg4 s PHE 75 Cb -0.24 -2.80 0.03 0.00 -0.34 0.00 0.00 43.02 39.67 1wg4 s PHE 75 CO 0.04 0.18 0.12 0.50 -1.46 0.00 0.00 175.22 174.60 1wg4 s ARG 76 N 0.37 2.82 1.19 10.12 3.52 -1.26 -1.53 118.95 134.17 1wg4 s ARG 76 Ca 0.38 -1.05 -0.15 0.00 -0.13 0.00 0.00 55.73 54.77 1wg4 s ARG 76 Cb -0.19 -3.49 0.28 0.00 -1.56 0.00 0.00 34.95 29.99 1wg4 s ARG 76 CO 0.20 -0.60 1.03 -1.54 -0.81 0.00 0.00 175.30 173.58 1wg4 s SER 77 N 1.47 0.89 0.19 -2.12 1.04 0.82 -4.85 113.70 111.12 1wg4 s SER 77 Ca 0.00 1.22 0.23 0.00 0.48 0.00 0.00 55.95 57.88 1wg4 s SER 77 Cb -0.19 -1.87 0.90 0.00 0.10 0.00 0.00 66.02 64.97 1wg4 s SER 77 CO 0.04 -4.21 1.70 0.00 0.98 0.00 0.00 173.24 171.74 1wg4 n HIS 78 N -4.90 0.64 1.19 5.02 1.44 -1.26 -1.74 115.22 115.61 1wg4 n HIS 78 Ca 0.06 0.23 0.12 0.00 -2.01 0.00 0.00 57.72 56.12 1wg4 n HIS 78 Cb 0.57 -0.87 0.28 0.00 0.12 0.00 0.00 29.99 30.08 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 -2.07 0.93 0.00 -1.40 -0.58 -1.26 -4.94 120.64 111.32 1wg4 n GLU 79 Ca 0.03 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 1wg4 n GLU 79 Cb 0.27 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.36 2.85 3.33 0.62 0.00 -0.71 -5.05 105.19 107.59 1wg4 n GLY 80 Ca 0.11 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 0.18 -4.39 1.61 -0.58 -1.26 -4.38 120.64 111.82 1wg4 n GLU 81 Ca 0.00 0.07 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 1wg4 n GLU 81 Cb 0.00 -1.22 -0.13 0.00 -0.57 0.00 0.00 31.44 29.52 1wg4 n GLU 81 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1wg4 s THR 82 N -1.84 1.30 0.13 2.62 -4.23 -1.26 -0.13 115.64 112.23 1wg4 s THR 82 Ca 0.61 -1.13 -0.15 0.00 -1.18 0.00 0.00 61.69 59.83 1wg4 s THR 82 Cb -0.51 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.18 1wg4 s THR 82 CO 0.62 0.02 0.39 -0.44 -0.54 0.00 0.00 174.62 174.67 1wg4 s SER 83 N -1.29 -0.19 -0.41 3.99 0.01 -0.58 -4.94 113.70 110.29 1wg4 s SER 83 Ca 0.03 -0.41 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 1wg4 s SER 83 Cb -0.09 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.64 1wg4 s SER 83 CO 0.02 -0.87 0.30 -0.47 0.41 0.00 0.00 173.24 172.62 1wg4 s TYR 84 N -3.83 3.24 -0.16 2.43 5.04 -1.26 -0.55 117.35 122.26 1wg4 s TYR 84 Ca 0.05 -0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 54.02 1wg4 s TYR 84 Cb 0.02 -2.60 -0.03 0.00 0.35 0.00 0.00 41.96 39.69 1wg4 s TYR 84 CO -0.10 -0.60 0.01 0.96 -1.34 0.00 0.00 175.55 174.49 1wg4 s ILE 85 N 1.68 4.32 0.19 3.14 -4.36 -0.74 -4.53 121.20 120.89 1wg4 s ILE 85 Ca 0.05 -0.21 -0.10 0.00 -0.26 0.00 0.00 60.65 60.14 1wg4 s ILE 85 Cb -0.19 -2.92 -0.07 0.00 1.25 0.00 0.00 42.46 40.54 1wg4 s ILE 85 CO 0.10 0.49 0.51 -0.13 0.24 0.00 0.00 174.94 176.15 1wg4 s ARG 86 N 0.29 3.80 -0.21 0.37 1.81 -0.92 -1.35 118.95 122.74 1wg4 s ARG 86 Ca -0.00 0.25 -0.02 0.00 -1.72 0.00 0.00 55.73 54.24 1wg4 s ARG 86 Cb -0.13 -2.75 0.00 0.00 -0.45 0.00 0.00 34.95 31.62 1wg4 s ARG 86 CO 0.02 0.39 -0.09 0.08 -0.68 0.00 0.00 175.30 175.02 1wg4 s VAL 87 N -1.70 2.95 0.07 3.52 1.01 -1.26 -3.26 120.40 121.74 1wg4 s VAL 87 Ca 0.44 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1wg4 s VAL 87 Cb -0.12 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1wg4 s VAL 87 CO 0.21 0.42 0.25 -0.72 0.00 0.00 0.00 175.10 175.26 1wg4 s TYR 88 N 1.41 0.02 1.12 5.22 1.13 -0.58 -4.55 117.35 121.12 1wg4 s TYR 88 Ca 0.05 -0.32 -0.19 0.00 -1.41 0.00 0.00 57.07 55.20 1wg4 s TYR 88 Cb -0.14 0.03 0.27 0.00 -1.10 0.00 0.00 41.96 41.01 1wg4 s TYR 88 CO -0.06 -0.53 1.24 -1.25 -2.51 0.00 0.00 175.55 172.44 1wg4 s PRO 89 N -3.25 -0.61 0.34 -3.49 0.04 -1.26 0.11 135.00 126.87 1wg4 s PRO 89 Ca 0.00 -0.37 -0.19 0.00 0.04 0.00 0.00 61.00 60.48 1wg4 s PRO 89 Cb 0.02 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 1wg4 s PRO 89 CO -0.08 -3.26 0.84 -2.00 0.04 0.00 0.00 177.00 172.54 1wg4 s GLU 90 N -5.74 4.21 0.00 4.56 2.12 -1.26 -4.60 118.70 117.99 1wg4 s GLU 90 Ca 0.74 0.95 0.00 0.00 0.36 0.00 0.00 54.97 57.03 1wg4 s GLU 90 Cb -0.05 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1wg4 s GLU 90 CO 0.55 0.15 0.00 2.89 -0.54 0.00 0.00 175.26 178.31 1wg4 n ARG 91 N -0.13 0.00 -3.66 4.30 0.00 -1.26 -4.78 116.66 111.13 1wg4 n ARG 91 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.80 1wg4 n ARG 91 Cb 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.90 1wg4 n ARG 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wg4 s SER 92 N -3.70 -0.39 -0.29 2.89 0.15 -1.26 -5.01 113.70 106.08 1wg4 s SER 92 Ca 0.00 1.05 -0.13 0.00 0.70 0.00 0.00 55.95 57.57 1wg4 s SER 92 Cb 0.00 1.36 0.02 0.00 -1.71 0.00 0.00 66.02 65.69 1wg4 s SER 92 CO 0.00 -0.23 0.30 -1.20 1.20 0.00 0.00 173.24 173.31 1wg4 n SER 93 N 5.21 -7.09 0.00 5.45 7.64 -1.26 -5.02 113.62 118.55 1wg4 n SER 93 Ca -0.11 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1wg4 n SER 93 Cb 0.50 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 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 0.40 1.10 3.63 0.23 0.00 -1.26 -4.95 105.19 104.35 1wg4 n GLY 94 Ca 0.01 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 1.17 3.91 0.86 1.61 0.04 -1.26 -5.00 135.00 136.32 1wg4 s PRO 95 Ca 0.00 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1wg4 s PRO 95 Cb 0.00 -3.90 0.11 0.00 0.04 0.00 0.00 34.50 30.75 1wg4 s PRO 95 CO 0.00 -1.13 1.11 -1.12 0.04 0.00 0.00 177.00 175.89 1wg4 s SER 96 N 2.97 3.65 0.48 6.66 0.01 -1.26 -4.82 113.70 121.39 1wg4 s SER 96 Ca 0.58 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1wg4 s SER 96 Cb -0.18 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1wg4 s SER 96 CO 0.24 -2.59 0.00 -0.24 0.41 0.00 0.00 173.24 171.05 1wg4 n SER 97 N -3.89 -7.17 0.00 2.44 2.88 -1.26 -5.30 113.62 101.31 1wg4 n SER 97 Ca 0.09 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wg4 n SER 97 Cb 0.53 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.83 1wg4 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42