#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 -2.47 -4.13 1.61 7.64 -1.26 -5.07 113.62 109.94 1wg4 n SER 2 Ca 0.00 1.46 -0.11 0.00 1.01 0.00 0.00 58.87 61.23 1wg4 n SER 2 Cb 0.00 -5.14 -0.09 0.00 -1.01 0.00 0.00 64.21 57.98 1wg4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg4 s SER 3 N -0.63 0.11 -0.03 6.43 0.01 -1.26 -5.12 113.70 113.22 1wg4 s SER 3 Ca -0.22 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 55.52 1wg4 s SER 3 Cb 0.01 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 1wg4 s SER 3 CO 0.60 -0.89 1.51 -0.83 0.41 0.00 0.00 173.24 174.04 1wg4 s GLY 4 N -3.10 1.67 0.03 3.44 0.00 -1.26 -5.00 107.32 103.11 1wg4 s GLY 4 Ca 0.31 0.91 0.05 0.00 0.00 0.00 0.00 44.72 45.99 1wg4 s GLY 4 CO 0.09 2.75 -0.16 -1.35 0.00 0.00 0.00 173.10 174.43 1wg4 s SER 5 N 2.48 1.89 -0.30 1.64 1.04 -1.26 -5.12 113.70 114.06 1wg4 s SER 5 Ca 0.68 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 1wg4 s SER 5 Cb -0.32 -0.14 0.17 0.00 0.10 0.00 0.00 66.02 65.82 1wg4 s SER 5 CO 0.27 0.08 0.97 -0.44 0.98 0.00 0.00 173.24 175.11 1wg4 s SER 6 N -1.06 -0.61 0.73 7.02 0.01 -1.26 -5.13 113.70 113.41 1wg4 s SER 6 Ca 0.04 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wg4 s SER 6 Cb -0.08 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.79 1wg4 s SER 6 CO 0.01 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1wg4 n GLY 7 N 5.10 2.50 7.00 3.44 0.00 -1.26 -4.66 105.19 117.30 1wg4 n GLY 7 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 1.10 3.80 -0.02 0.00 -1.26 -4.39 105.19 104.42 1wg4 n GLY 8 Ca 0.00 0.75 -0.34 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 3.69 1.07 1.61 0.04 -1.26 -5.05 135.00 135.10 1wg4 s PRO 9 Ca 0.00 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 1wg4 s PRO 9 Cb 0.00 -2.08 0.24 0.00 0.04 0.00 0.00 34.50 32.70 1wg4 s PRO 9 CO 0.00 -0.52 1.22 -1.25 0.04 0.00 0.00 177.00 176.49 1wg4 s PRO 10 N -3.49 -0.21 0.04 0.56 0.04 -1.26 -4.81 135.00 125.86 1wg4 s PRO 10 Ca 0.66 -0.22 -0.14 0.00 0.04 0.00 0.00 61.00 61.34 1wg4 s PRO 10 Cb -0.16 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1wg4 s PRO 10 CO 0.25 -3.01 1.21 1.15 0.04 0.00 0.00 177.00 176.64 1wg4 h THR 11 N -2.08 0.00 -5.65 1.26 2.02 -1.97 -3.47 112.91 103.02 1wg4 h THR 11 Ca -0.45 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 1wg4 h THR 11 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1wg4 h THR 11 CO 0.37 0.00 -0.26 0.54 0.37 0.00 0.00 175.52 176.54 1wg4 n ARG 12 N -3.56 -1.43 -4.16 6.66 5.12 -1.26 -5.03 116.66 112.99 1wg4 n ARG 12 Ca -0.04 1.39 -0.18 0.00 -1.93 0.00 0.00 57.85 57.09 1wg4 n ARG 12 Cb 0.17 -5.03 -0.07 0.00 -1.16 0.00 0.00 32.46 26.36 1wg4 n ARG 12 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wg4 n ARG 13 N -1.83 0.45 -0.58 5.56 3.00 -1.26 -5.15 116.66 116.84 1wg4 n ARG 13 Ca -0.06 -3.21 -0.22 0.00 -0.01 0.00 0.00 57.85 54.36 1wg4 n ARG 13 Cb 0.54 2.70 0.15 0.00 0.00 0.00 0.00 32.46 35.84 1wg4 n ARG 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wg4 n SER 14 N -1.69 -2.87 -3.11 0.55 7.64 -1.26 -4.94 113.62 107.94 1wg4 n SER 14 Ca 0.07 -0.31 -0.25 0.00 1.01 0.00 0.00 58.87 59.38 1wg4 n SER 14 Cb 0.59 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.09 3.44 -3.22 6.43 8.00 -1.26 -4.98 116.55 123.87 1wg4 n ASP 15 Ca 0.04 -3.46 -0.01 0.00 0.71 0.00 0.00 54.79 52.07 1wg4 n ASP 15 Cb 0.43 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 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 -2.93 -1.41 0.41 1.24 0.08 -1.26 -5.03 117.98 109.08 1wg4 s PHE 16 Ca 0.45 1.01 0.04 0.00 0.12 0.00 0.00 56.93 58.54 1wg4 s PHE 16 Cb 0.25 0.21 -0.02 0.00 -0.57 0.00 0.00 43.02 42.89 1wg4 s PHE 16 CO -0.10 -0.95 0.12 -0.98 -0.10 0.00 0.00 175.22 173.21 1wg4 s ARG 17 N 2.72 1.94 -0.08 0.44 1.70 -1.26 -0.43 118.95 123.98 1wg4 s ARG 17 Ca 0.13 -2.19 -0.00 0.00 -0.47 0.00 0.00 55.73 53.20 1wg4 s ARG 17 Cb -0.13 -0.70 0.02 0.00 -0.57 0.00 0.00 34.95 33.58 1wg4 s ARG 17 CO -0.24 -0.46 -0.04 0.14 -1.08 0.00 0.00 175.30 173.62 1wg4 s VAL 18 N -3.18 0.69 -0.15 4.99 -7.23 0.10 -4.55 120.40 111.07 1wg4 s VAL 18 Ca 0.23 -0.12 -0.27 0.00 -1.81 0.00 0.00 61.98 60.01 1wg4 s VAL 18 Cb 0.03 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1wg4 s VAL 18 CO 0.14 0.30 0.91 -0.76 -0.31 0.00 0.00 175.10 175.37 1wg4 s LEU 19 N 1.54 4.20 -0.07 1.32 1.43 0.49 -2.71 118.68 124.89 1wg4 s LEU 19 Ca -0.00 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1wg4 s LEU 19 Cb -0.13 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1wg4 s LEU 19 CO -0.04 -0.43 -0.06 -0.69 0.23 0.00 0.00 176.35 175.36 1wg4 s VAL 20 N 2.13 3.77 -0.14 -1.59 1.01 -0.12 -1.75 120.40 123.71 1wg4 s VAL 20 Ca 0.42 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wg4 s VAL 20 Cb -0.17 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.71 1wg4 s VAL 20 CO 0.14 0.59 0.33 -0.94 0.00 0.00 0.00 175.10 175.22 1wg4 s SER 21 N -0.86 -0.34 0.00 3.32 1.04 -1.19 0.18 113.70 115.85 1wg4 s SER 21 Ca 0.13 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1wg4 s SER 21 Cb -0.11 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wg4 s SER 21 CO 0.02 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1wg4 n GLY 22 N 4.35 0.81 3.92 7.32 0.00 -1.07 -2.17 105.19 118.34 1wg4 n GLY 22 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 3.95 0.91 0.99 1.43 -0.30 -3.79 118.68 121.88 1wg4 s LEU 23 Ca 0.00 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1wg4 s LEU 23 Cb 0.00 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.82 1wg4 s LEU 23 CO 0.00 -0.31 1.14 -2.16 0.23 0.00 0.00 176.35 175.25 1wg4 s PRO 24 N -4.04 1.12 0.16 1.29 0.04 -1.26 -4.56 135.00 127.75 1wg4 s PRO 24 Ca 0.44 0.28 0.24 0.00 0.04 0.00 0.00 61.00 61.99 1wg4 s PRO 24 Cb -0.10 -1.84 0.91 0.00 0.04 0.00 0.00 34.50 33.51 1wg4 s PRO 24 CO 0.35 -2.21 1.73 -0.35 0.04 0.00 0.00 177.00 176.56 1wg4 n PRO 25 N -3.77 0.16 -0.00 0.56 -0.04 -1.26 -2.78 135.00 127.86 1wg4 n PRO 25 Ca 0.07 0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 1wg4 n PRO 25 Cb 0.59 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.02 1.11 -4.41 3.54 3.41 -1.26 -5.04 113.62 108.95 1wg4 n SER 26 Ca 0.04 -0.49 -0.34 0.00 -0.26 0.00 0.00 58.87 57.82 1wg4 n SER 26 Cb 0.31 1.08 0.10 0.00 -0.26 0.00 0.00 64.21 65.43 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 1.40 -2.02 3.27 5.00 0.00 -1.12 -4.09 105.19 107.62 1wg4 n GLY 27 Ca 0.01 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1wg4 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg4 s SER 28 N -1.78 0.65 -0.02 1.61 0.01 -1.26 -4.90 113.70 108.01 1wg4 s SER 28 Ca 0.58 -1.48 -0.21 0.00 1.31 0.00 0.00 55.95 56.15 1wg4 s SER 28 Cb -0.25 0.46 -0.27 0.00 0.21 0.00 0.00 66.02 66.18 1wg4 s SER 28 CO 0.65 -0.95 1.01 4.11 0.41 0.00 0.00 173.24 178.47 1wg4 h TRP 29 N 2.42 0.56 0.00 2.43 5.08 -1.91 -2.57 115.95 121.95 1wg4 h TRP 29 Ca -0.31 -0.34 0.00 0.00 1.08 0.00 0.00 58.89 59.31 1wg4 h TRP 29 Cb 1.24 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1wg4 h TRP 29 CO 0.84 1.20 0.00 1.04 -1.28 0.00 0.00 178.44 180.24 1wg4 n GLN 30 N -4.20 0.00 -0.20 0.12 6.02 -1.26 0.11 117.38 117.97 1wg4 n GLN 30 Ca -0.12 0.68 0.01 0.00 -0.01 0.00 0.00 57.00 57.56 1wg4 n GLN 30 Cb 0.72 -1.33 0.10 0.00 1.02 0.00 0.00 30.24 30.75 1wg4 n GLN 30 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1wg4 h ASP 31 N 0.00 -0.21 -0.70 1.08 1.82 -1.95 0.18 116.42 116.65 1wg4 h ASP 31 Ca 0.00 0.14 0.15 0.00 -0.39 0.00 0.00 57.03 56.93 1wg4 h ASP 31 Cb 0.00 0.24 -0.12 0.00 0.68 0.00 0.00 39.33 40.13 1wg4 h ASP 31 CO 0.00 -0.09 -0.02 0.25 -1.61 0.00 0.00 179.24 177.77 1wg4 h LEU 32 N 0.15 -0.36 0.64 2.28 6.46 -0.91 -0.79 115.31 122.77 1wg4 h LEU 32 Ca 0.32 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 58.24 1wg4 h LEU 32 Cb 0.52 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1wg4 h LEU 32 CO -0.50 -0.16 -0.48 0.50 -0.62 0.00 0.00 178.44 177.18 1wg4 h LYS 33 N 0.09 -1.04 -1.75 1.25 3.64 0.38 0.60 116.57 119.75 1wg4 h LYS 33 Ca 0.37 0.07 0.51 0.00 -1.27 0.00 0.00 60.65 60.33 1wg4 h LYS 33 Cb 0.62 0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.61 1wg4 h LYS 33 CO -0.62 -0.69 1.35 -0.44 -2.27 0.00 0.00 179.45 176.78 1wg4 h ASP 34 N -1.08 0.00 0.00 4.20 5.19 -0.26 1.43 116.42 125.91 1wg4 h ASP 34 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1wg4 h ASP 34 Cb 0.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1wg4 h ASP 34 CO 0.03 0.00 -0.24 -0.74 -3.12 0.00 0.00 179.24 175.17 1wg4 h HIS 35 N 0.00 0.00 -0.98 4.55 2.76 0.08 -3.37 115.15 118.19 1wg4 h HIS 35 Ca 0.83 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 59.20 1wg4 h HIS 35 Cb 3.52 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 32.39 1wg4 h HIS 35 CO 0.00 0.00 0.61 0.52 -1.30 0.00 0.00 177.93 177.76 1wg4 h MET 36 N -1.00 0.64 -0.79 5.26 2.86 0.40 0.19 114.93 122.48 1wg4 h MET 36 Ca 0.00 -0.04 0.23 0.00 -2.06 0.00 0.00 59.70 57.83 1wg4 h MET 36 Cb 0.24 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1wg4 h MET 36 CO 0.00 0.42 0.96 0.00 1.06 0.00 0.00 176.91 179.36 1wg4 h ARG 37 N 0.66 0.00 -0.60 1.72 2.47 0.16 -1.39 114.38 117.39 1wg4 h ARG 37 Ca 0.54 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.51 1wg4 h ARG 37 Cb 0.99 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.20 1wg4 h ARG 37 CO -0.31 0.00 0.30 0.39 0.56 0.00 0.00 179.97 180.91 1wg4 n GLU 38 N -3.34 -0.04 0.00 0.04 -0.58 0.65 -1.02 120.64 116.36 1wg4 n GLU 38 Ca 0.17 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 1wg4 n GLU 38 Cb 1.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.60 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 0.00 -2.00 0.62 0.00 -0.52 -4.94 120.51 111.04 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 -0.19 2.43 3.22 0.00 0.00 -0.19 -4.95 105.19 105.52 1wg4 n GLY 40 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 1.14 3.03 -0.28 1.61 -1.08 -1.26 -4.78 116.67 115.04 1wg4 s ASP 41 Ca 0.00 -0.54 -0.14 0.00 -0.52 0.00 0.00 52.55 51.35 1wg4 s ASP 41 Cb 0.00 -1.26 -0.03 0.00 -1.46 0.00 0.00 42.92 40.17 1wg4 s ASP 41 CO 0.00 0.17 0.35 -0.69 0.52 0.00 0.00 175.17 175.52 1wg4 s VAL 42 N 0.24 5.19 -0.26 1.11 1.01 -1.26 -3.62 120.40 122.79 1wg4 s VAL 42 Ca -0.15 0.43 0.22 0.00 0.00 0.00 0.00 61.98 62.48 1wg4 s VAL 42 Cb -0.17 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.56 1wg4 s VAL 42 CO 0.08 0.12 1.13 0.00 0.00 0.00 0.00 175.10 176.43 1wg4 s TYR 44 N -3.32 -0.38 -0.22 0.00 5.04 -1.26 -5.01 117.35 112.20 1wg4 s TYR 44 Ca 0.01 0.89 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 1wg4 s TYR 44 Cb 0.09 0.14 0.11 0.00 0.35 0.00 0.00 41.96 42.64 1wg4 s TYR 44 CO 0.77 -0.23 0.39 0.00 -1.34 0.00 0.00 175.55 175.13 1wg4 s ALA 45 N -0.07 -1.08 0.25 3.97 0.00 -1.26 -1.90 121.76 121.67 1wg4 s ALA 45 Ca -0.02 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1wg4 s ALA 45 Cb -0.03 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 1wg4 s ALA 45 CO 0.01 -1.01 0.03 0.34 0.00 0.00 0.00 175.76 175.13 1wg4 s ASP 46 N 2.57 1.75 -0.01 0.00 2.15 0.00 -4.84 116.67 118.28 1wg4 s ASP 46 Ca 0.06 -1.28 -0.03 0.00 0.43 0.00 0.00 52.55 51.73 1wg4 s ASP 46 Cb -0.14 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 1wg4 s ASP 46 CO -0.14 -0.58 0.06 -0.69 -0.17 0.00 0.00 175.17 173.65 1wg4 s VAL 47 N -3.48 0.03 0.36 1.11 1.01 -1.26 -1.33 120.40 116.84 1wg4 s VAL 47 Ca 0.32 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.12 1wg4 s VAL 47 Cb 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.20 1wg4 s VAL 47 CO 0.11 -0.14 -0.03 -1.10 0.00 0.00 0.00 175.10 173.93 1wg4 s GLN 48 N -0.43 1.94 1.04 2.72 -0.21 -0.68 -4.97 119.66 119.06 1wg4 s GLN 48 Ca -0.05 -1.93 -0.12 0.00 0.02 0.00 0.00 55.36 53.29 1wg4 s GLN 48 Cb -0.03 -1.76 0.21 0.00 1.00 0.00 0.00 33.01 32.43 1wg4 s GLN 48 CO 0.00 0.08 1.08 -1.59 -2.12 0.00 0.00 175.29 172.74 1wg4 s LYS 49 N -3.68 0.05 0.00 2.91 -2.85 -1.26 -3.12 119.74 111.79 1wg4 s LYS 49 Ca 0.34 1.05 0.00 0.00 -1.00 0.00 0.00 55.97 56.36 1wg4 s LYS 49 Cb 0.04 -1.65 0.00 0.00 -2.06 0.00 0.00 37.83 34.15 1wg4 s LYS 49 CO 0.18 -3.13 0.00 -3.47 0.10 0.00 0.00 175.35 169.03 1wg4 n ASP 50 N -4.53 0.00 0.00 0.03 -0.08 -1.26 -3.37 116.55 107.34 1wg4 n ASP 50 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1wg4 n ASP 50 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.14 3.68 0.27 0.00 -1.18 -4.61 105.19 103.47 1wg4 n GLY 51 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.06 0.18 1.61 -1.94 -1.18 -1.15 119.30 117.88 1wg4 s MET 52 Ca 0.00 1.33 -0.16 0.00 -1.71 0.00 0.00 55.69 55.15 1wg4 s MET 52 Cb 0.00 -1.75 0.02 0.00 2.01 0.00 0.00 34.83 35.12 1wg4 s MET 52 CO 0.00 -2.53 0.47 0.20 -0.01 0.00 0.00 175.02 173.15 1wg4 s GLY 53 N -2.86 -0.06 -0.13 -0.03 0.00 0.47 -1.69 107.32 103.02 1wg4 s GLY 53 Ca 0.66 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 45.03 1wg4 s GLY 53 CO 0.58 -0.34 0.32 -0.29 0.00 0.00 0.00 173.10 173.37 1wg4 s MET 54 N -3.87 0.31 -0.06 2.90 1.75 -0.44 -0.95 119.30 118.93 1wg4 s MET 54 Ca 0.09 0.61 -0.03 0.00 -1.25 0.00 0.00 55.69 55.11 1wg4 s MET 54 Cb 0.00 -0.02 0.03 0.00 2.84 0.00 0.00 34.83 37.68 1wg4 s MET 54 CO -0.04 -0.14 0.15 0.14 -0.65 0.00 0.00 175.02 174.47 1wg4 s VAL 55 N 1.10 -0.03 0.20 10.11 -7.23 -1.10 -0.82 120.40 122.63 1wg4 s VAL 55 Ca -0.08 0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.27 1wg4 s VAL 55 Cb -0.08 -0.23 -0.03 0.00 0.56 0.00 0.00 36.38 36.59 1wg4 s VAL 55 CO -0.08 0.05 0.23 -1.61 -0.31 0.00 0.00 175.10 173.38 1wg4 s GLU 56 N 0.85 3.13 0.04 4.82 2.02 -0.80 0.03 118.70 128.81 1wg4 s GLU 56 Ca -0.06 -0.85 0.05 0.00 0.02 0.00 0.00 54.97 54.13 1wg4 s GLU 56 Cb -0.08 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 1wg4 s GLU 56 CO -0.04 0.46 -0.14 0.71 0.02 0.00 0.00 175.26 176.26 1wg4 s TYR 57 N -1.91 1.20 -2.01 1.61 2.02 0.43 -3.40 117.35 115.29 1wg4 s TYR 57 Ca 0.33 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.74 1wg4 s TYR 57 Cb -0.09 -0.71 0.24 0.00 -0.40 0.00 0.00 41.96 41.00 1wg4 s TYR 57 CO 0.26 0.03 1.20 1.28 -1.57 0.00 0.00 175.55 176.75 1wg4 n LEU 58 N 1.80 1.31 -3.71 -1.29 7.99 -1.24 -4.49 117.00 117.37 1wg4 n LEU 58 Ca -0.19 -0.65 -0.13 0.00 -0.01 0.00 0.00 56.01 55.03 1wg4 n LEU 58 Cb 0.55 -0.16 -0.13 0.00 -0.11 0.00 0.00 43.42 43.56 1wg4 n LEU 58 CO 0.23 0.33 -0.14 -0.13 -1.51 0.00 0.00 177.39 176.16 1wg4 s ARG 59 N -1.68 0.18 0.08 3.23 1.81 -1.26 -5.04 118.95 116.27 1wg4 s ARG 59 Ca 0.17 0.56 -0.33 0.00 -1.72 0.00 0.00 55.73 54.42 1wg4 s ARG 59 Cb 0.09 -0.12 -0.16 0.00 -0.45 0.00 0.00 34.95 34.31 1wg4 s ARG 59 CO 0.12 -0.20 1.61 -0.22 -0.68 0.00 0.00 175.30 175.93 1wg4 h LYS 60 N 7.49 -0.83 -0.66 3.54 3.64 -1.93 -1.51 116.57 126.31 1wg4 h LYS 60 Ca -0.34 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1wg4 h LYS 60 Cb 1.14 0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 1wg4 h LYS 60 CO 0.32 -0.55 0.03 1.49 -2.27 0.00 0.00 179.45 178.46 1wg4 h GLU 61 N -0.86 0.13 -0.89 1.90 4.22 -1.99 0.62 114.58 117.71 1wg4 h GLU 61 Ca -0.06 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.52 1wg4 h GLU 61 Cb 0.71 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 1wg4 h GLU 61 CO 0.04 0.09 0.57 -0.44 -2.18 0.00 0.00 179.01 177.10 1wg4 h ASP 62 N 0.14 0.64 0.36 1.04 5.19 -1.84 0.41 116.42 122.36 1wg4 h ASP 62 Ca 0.35 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.79 1wg4 h ASP 62 Cb 0.59 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1wg4 h ASP 62 CO -0.55 0.32 -0.19 -0.03 -3.12 0.00 0.00 179.24 175.66 1wg4 h MET 63 N 0.68 -0.50 -0.67 3.56 4.05 0.13 -1.70 114.93 120.47 1wg4 h MET 63 Ca 0.45 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.83 1wg4 h MET 63 Cb 0.74 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 1wg4 h MET 63 CO -0.21 -0.33 0.13 0.93 0.23 0.00 0.00 176.91 177.66 1wg4 h GLU 64 N -0.52 1.10 0.01 0.39 5.08 -0.70 -1.18 114.58 118.77 1wg4 h GLU 64 Ca -0.04 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1wg4 h GLU 64 Cb 0.41 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1wg4 h GLU 64 CO 0.06 1.00 -0.36 -0.92 -1.00 0.00 0.00 179.01 177.79 1wg4 h TYR 65 N 1.03 -1.04 -0.87 4.33 5.03 -0.01 0.26 116.97 125.70 1wg4 h TYR 65 Ca 0.21 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.58 1wg4 h TYR 65 Cb 0.41 0.45 -0.05 0.00 1.55 0.00 0.00 36.73 39.10 1wg4 h TYR 65 CO 0.03 -0.38 0.57 0.00 -1.32 0.00 0.00 178.16 177.06 1wg4 h ALA 66 N -0.81 1.45 -0.03 1.82 0.00 -1.31 0.62 119.26 121.00 1wg4 h ALA 66 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wg4 h ALA 66 Cb 0.48 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1wg4 h ALA 66 CO -0.23 0.47 -0.40 -0.07 0.00 0.00 0.00 179.25 179.02 1wg4 h LEU 67 N 1.10 -1.24 0.11 0.00 3.38 -0.10 0.48 115.31 119.05 1wg4 h LEU 67 Ca 0.34 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1wg4 h LEU 67 Cb 0.01 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wg4 h LEU 67 CO -0.10 -0.44 -0.05 0.03 0.09 0.00 0.00 178.44 177.97 1wg4 h ARG 68 N -0.54 -0.15 -0.72 1.13 2.47 -0.00 0.61 114.38 117.19 1wg4 h ARG 68 Ca 0.06 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.85 1wg4 h ARG 68 Cb 0.63 0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 28.90 1wg4 h ARG 68 CO -0.33 -0.10 -0.42 1.63 0.56 0.00 0.00 179.97 181.31 1wg4 n LYS 69 N -2.96 -0.32 0.30 0.04 4.01 0.21 -1.15 118.16 118.29 1wg4 n LYS 69 Ca -0.02 1.14 -0.12 0.00 -0.51 0.00 0.00 58.31 58.80 1wg4 n LYS 69 Cb 0.06 -1.68 -0.06 0.00 -0.51 0.00 0.00 35.03 32.84 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 -0.66 -0.50 -0.35 3.38 -0.16 -3.46 115.31 113.57 1wg4 h LEU 70 Ca 0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wg4 h LEU 70 Cb 0.29 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wg4 h LEU 70 CO -0.67 -0.36 0.00 -0.67 0.09 0.00 0.00 178.44 176.83 1wg4 n ASP 71 N -4.71 0.00 -1.44 -0.43 2.03 0.21 -3.51 116.55 108.70 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 0.31 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1wg4 n ASP 71 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1wg4 n ASP 72 N 0.67 -2.04 -4.19 1.67 -0.08 -1.17 -4.84 116.55 106.58 1wg4 n ASP 72 Ca 0.00 0.09 -0.11 0.00 -1.51 0.00 0.00 54.79 53.26 1wg4 n ASP 72 Cb 0.00 -1.25 -0.10 0.00 2.34 0.00 0.00 41.12 42.10 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 -0.04 0.18 -0.50 5.18 -4.23 -0.23 -4.93 115.64 111.07 1wg4 s THR 73 Ca -0.01 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.36 1wg4 s THR 73 Cb 0.00 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.67 1wg4 s THR 73 CO 0.04 -0.30 0.60 -0.75 -0.54 0.00 0.00 174.62 173.67 1wg4 s LYS 74 N -4.06 3.12 -0.17 3.99 2.20 -1.26 -1.06 119.74 122.50 1wg4 s LYS 74 Ca 0.29 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.85 1wg4 s LYS 74 Cb 0.07 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1wg4 s LYS 74 CO 0.06 -1.18 0.40 0.12 -0.36 0.00 0.00 175.35 174.39 1wg4 s PHE 75 N 2.56 3.44 -0.30 4.03 5.36 0.04 -4.89 117.98 128.22 1wg4 s PHE 75 Ca 0.15 0.70 -0.16 0.00 -0.96 0.00 0.00 56.93 56.66 1wg4 s PHE 75 Cb -0.19 -2.50 -0.02 0.00 -0.34 0.00 0.00 43.02 39.97 1wg4 s PHE 75 CO 0.12 0.10 0.44 0.50 -1.46 0.00 0.00 175.22 174.92 1wg4 s ARG 76 N 0.90 3.87 0.94 10.12 3.52 -1.26 -2.12 118.95 134.93 1wg4 s ARG 76 Ca 0.21 -0.00 -0.12 0.00 -0.13 0.00 0.00 55.73 55.68 1wg4 s ARG 76 Cb -0.14 -3.71 0.16 0.00 -1.56 0.00 0.00 34.95 29.69 1wg4 s ARG 76 CO 0.08 -0.42 1.10 -1.54 -0.81 0.00 0.00 175.30 173.71 1wg4 s SER 77 N 1.66 3.09 0.25 -2.12 1.04 0.17 -4.88 113.70 112.93 1wg4 s SER 77 Ca 0.17 1.30 0.23 0.00 0.48 0.00 0.00 55.95 58.12 1wg4 s SER 77 Cb -0.16 -1.97 0.98 0.00 0.10 0.00 0.00 66.02 64.97 1wg4 s SER 77 CO 0.11 -2.85 1.70 1.57 0.98 0.00 0.00 173.24 174.74 1wg4 n HIS 78 N -4.00 0.77 1.18 5.02 -0.00 -1.26 -1.13 115.22 115.81 1wg4 n HIS 78 Ca 0.06 0.31 0.12 0.00 0.46 0.00 0.00 57.72 58.67 1wg4 n HIS 78 Cb 0.57 -1.00 0.25 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 -2.21 1.26 0.00 1.57 -0.58 -1.26 -4.95 120.64 114.47 1wg4 n GLU 79 Ca 0.02 -0.89 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 1wg4 n GLU 79 Cb 0.21 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.34 3.04 3.08 0.62 0.00 -0.28 -5.05 105.19 107.93 1wg4 n GLY 80 Ca 0.13 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.03 -4.11 1.61 1.02 -1.26 -4.21 120.64 113.66 1wg4 n GLU 81 Ca 0.00 -0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1wg4 n GLU 81 Cb 0.00 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.05 0.48 0.18 2.62 -4.23 -1.26 0.46 115.64 111.83 1wg4 s THR 82 Ca 0.44 -1.61 -0.23 0.00 -1.18 0.00 0.00 61.69 59.11 1wg4 s THR 82 Cb -0.21 -1.26 0.06 0.00 1.34 0.00 0.00 72.50 72.44 1wg4 s THR 82 CO 0.79 -0.76 0.65 -0.94 -0.54 0.00 0.00 174.62 173.82 1wg4 s SER 83 N -2.53 -0.49 -0.39 3.99 1.04 -0.90 -4.93 113.70 109.49 1wg4 s SER 83 Ca 0.03 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 1wg4 s SER 83 Cb 0.01 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1wg4 s SER 83 CO -0.05 -1.03 0.47 -0.31 0.98 0.00 0.00 173.24 173.30 1wg4 s TYR 84 N -3.75 3.17 -0.16 5.02 1.51 -1.26 -0.78 117.35 121.10 1wg4 s TYR 84 Ca 0.03 -0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1wg4 s TYR 84 Cb -0.02 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.88 1wg4 s TYR 84 CO -0.08 -0.63 0.01 0.96 -1.11 0.00 0.00 175.55 174.70 1wg4 s ILE 85 N 2.27 4.30 0.30 2.71 -4.36 -0.22 -4.57 121.20 121.63 1wg4 s ILE 85 Ca 0.15 -0.21 -0.07 0.00 -0.26 0.00 0.00 60.65 60.26 1wg4 s ILE 85 Cb -0.16 -2.90 -0.06 0.00 1.25 0.00 0.00 42.46 40.59 1wg4 s ILE 85 CO 0.14 0.49 0.60 -0.13 0.24 0.00 0.00 174.94 176.28 1wg4 s ARG 86 N 0.26 3.70 -0.18 0.37 1.81 -0.92 -1.07 118.95 122.92 1wg4 s ARG 86 Ca 0.00 0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.18 1wg4 s ARG 86 Cb -0.13 -2.59 0.03 0.00 -0.45 0.00 0.00 34.95 31.82 1wg4 s ARG 86 CO 0.02 0.18 -0.12 0.08 -0.68 0.00 0.00 175.30 174.77 1wg4 s VAL 87 N -2.10 1.62 0.06 3.52 1.01 -1.26 -3.18 120.40 120.07 1wg4 s VAL 87 Ca 0.46 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1wg4 s VAL 87 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1wg4 s VAL 87 CO 0.28 0.29 0.15 -0.72 0.00 0.00 0.00 175.10 175.10 1wg4 s TYR 88 N 1.43 0.18 0.84 5.22 1.13 -0.72 -4.54 117.35 120.90 1wg4 s TYR 88 Ca 0.01 -0.56 -0.12 0.00 -1.41 0.00 0.00 57.07 55.00 1wg4 s TYR 88 Cb -0.15 -0.11 0.09 0.00 -1.10 0.00 0.00 41.96 40.70 1wg4 s TYR 88 CO -0.09 -0.46 1.11 -1.25 -2.51 0.00 0.00 175.55 172.34 1wg4 s PRO 89 N -3.33 1.75 0.82 -3.49 0.04 -1.26 0.19 135.00 129.70 1wg4 s PRO 89 Ca 0.01 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 61.45 1wg4 s PRO 89 Cb 0.03 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.76 1wg4 s PRO 89 CO -0.08 -1.83 1.13 -2.00 0.04 0.00 0.00 177.00 174.26 1wg4 s GLU 90 N -5.20 1.92 -0.31 4.56 2.12 -1.26 -4.66 118.70 115.87 1wg4 s GLU 90 Ca 0.62 0.36 0.01 0.00 0.36 0.00 0.00 54.97 56.32 1wg4 s GLU 90 Cb -0.15 -1.92 0.04 0.00 0.26 0.00 0.00 34.13 32.37 1wg4 s GLU 90 CO 0.54 -1.68 1.04 2.89 -0.54 0.00 0.00 175.26 177.52 1wg4 n ARG 91 N -3.42 0.13 -3.34 4.30 1.85 -1.26 -5.11 116.66 109.81 1wg4 n ARG 91 Ca 0.07 -0.64 -0.45 0.00 -1.00 0.00 0.00 57.85 55.82 1wg4 n ARG 91 Cb 0.59 -0.01 -0.06 0.00 -1.05 0.00 0.00 32.46 31.93 1wg4 n ARG 91 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wg4 s SER 92 N -0.13 6.16 0.10 2.89 0.15 -1.26 -5.02 113.70 116.59 1wg4 s SER 92 Ca 0.03 -1.68 -0.05 0.00 0.70 0.00 0.00 55.95 54.95 1wg4 s SER 92 Cb 0.05 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1wg4 s SER 92 CO -0.01 -0.80 0.12 -0.55 1.20 0.00 0.00 173.24 173.20 1wg4 s SER 93 N 3.31 0.24 -0.03 5.45 0.15 -1.26 -5.17 113.70 116.39 1wg4 s SER 93 Ca 0.03 -0.89 0.07 0.00 0.70 0.00 0.00 55.95 55.86 1wg4 s SER 93 Cb -0.28 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1wg4 s SER 93 CO 0.04 -0.73 -0.25 -0.83 1.20 0.00 0.00 173.24 172.67 1wg4 s GLY 94 N -2.93 1.30 -1.15 9.45 0.00 -1.26 -5.04 107.32 107.68 1wg4 s GLY 94 Ca 0.12 -1.09 -0.19 0.00 0.00 0.00 0.00 44.72 43.56 1wg4 s GLY 94 CO -0.06 -0.84 1.98 -1.55 0.00 0.00 0.00 173.10 172.63 1wg4 n PRO 95 N 2.57 2.24 -3.65 2.90 -0.04 -1.26 -4.82 135.00 132.94 1wg4 n PRO 95 Ca -0.16 -2.47 -0.15 0.00 -0.04 0.00 0.00 63.50 60.68 1wg4 n PRO 95 Cb 0.51 -3.30 -0.08 0.00 -0.04 0.00 0.00 33.50 30.60 1wg4 n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg4 s SER 96 N 4.63 -0.43 -0.96 3.54 0.15 -1.26 -5.10 113.70 114.28 1wg4 s SER 96 Ca 0.56 0.46 -0.11 0.00 0.70 0.00 0.00 55.95 57.56 1wg4 s SER 96 Cb 0.09 0.49 0.24 0.00 -1.71 0.00 0.00 66.02 65.14 1wg4 s SER 96 CO 0.06 -0.48 0.92 -0.55 1.20 0.00 0.00 173.24 174.38 1wg4 s SER 97 N -1.08 6.94 0.00 5.45 0.15 -1.26 -5.24 113.70 118.66 1wg4 s SER 97 Ca -0.11 -3.16 0.24 0.00 0.70 0.00 0.00 55.95 53.62 1wg4 s SER 97 Cb -0.03 -2.19 0.22 0.00 -1.71 0.00 0.00 66.02 62.31 1wg4 s SER 97 CO 0.06 -0.42 1.27 0.61 1.20 0.00 0.00 173.24 175.97