#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg7 s SER 2 N 0.00 -0.22 0.09 1.61 0.15 -1.26 -5.16 113.70 108.92 1wg7 s SER 2 Ca 0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1wg7 s SER 2 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wg7 s SER 2 CO 0.00 -0.34 0.00 -0.24 1.20 0.00 0.00 173.24 173.86 1wg7 n SER 3 N -0.01 -1.43 0.00 5.45 2.88 -1.26 -5.12 113.62 114.13 1wg7 n SER 3 Ca -0.03 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wg7 n SER 3 Cb 0.59 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1wg7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 4 N -1.62 2.93 3.80 0.46 0.00 -1.26 -5.19 105.19 104.31 1wg7 n GLY 4 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.23 1wg7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 5 N 0.00 -0.02 0.02 1.61 0.15 -1.26 -5.19 113.70 109.01 1wg7 s SER 5 Ca 0.00 -0.16 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 1wg7 s SER 5 Cb 0.00 0.14 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 1wg7 s SER 5 CO 0.00 -0.27 1.16 -0.94 1.20 0.00 0.00 173.24 174.38 1wg7 s SER 6 N -3.41 -0.12 0.00 5.45 1.04 -1.26 -4.71 113.70 110.69 1wg7 s SER 6 Ca 0.22 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1wg7 s SER 6 Cb 0.02 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wg7 s SER 6 CO -0.02 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1wg7 n GLY 7 N -0.44 -1.46 3.54 7.32 0.00 -1.26 -4.93 105.19 107.96 1wg7 n GLY 7 Ca -0.07 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 1wg7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg7 s ALA 8 N -1.41 -1.91 0.22 4.61 0.00 -1.26 -4.58 121.76 117.42 1wg7 s ALA 8 Ca 0.00 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1wg7 s ALA 8 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1wg7 s ALA 8 CO 0.00 -0.62 0.48 0.00 0.00 0.00 0.00 175.76 175.62 1wg7 s ALA 9 N -2.71 -0.55 -0.46 0.00 0.00 -1.26 -5.04 121.76 111.75 1wg7 s ALA 9 Ca 0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1wg7 s ALA 9 Cb -0.01 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1wg7 s ALA 9 CO -0.07 -0.81 2.97 0.45 0.00 0.00 0.00 175.76 178.29 1wg7 n SER 10 N -0.34 6.37 -4.84 0.00 2.88 -1.26 -4.90 113.62 111.53 1wg7 n SER 10 Ca -0.06 -2.99 -0.22 0.00 -1.33 0.00 0.00 58.87 54.27 1wg7 n SER 10 Cb 0.62 -1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 62.74 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wg7 s LEU 11 N -1.54 3.88 0.00 2.46 1.43 -1.26 -5.03 118.68 118.61 1wg7 s LEU 11 Ca 0.61 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1wg7 s LEU 11 Cb 0.34 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1wg7 s LEU 11 CO -0.15 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1wg7 n GLY 12 N -1.14 -0.46 6.54 -3.19 0.00 -1.26 -5.12 105.19 100.56 1wg7 n GLY 12 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg7 n SER 13 N 0.00 -0.94 -3.64 1.61 2.88 -1.26 -5.04 113.62 107.23 1wg7 n SER 13 Ca 0.00 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 1wg7 n SER 13 Cb 0.00 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.38 1wg7 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg7 s GLN 14 N -0.08 0.10 0.60 -1.46 0.00 -1.26 -5.14 119.66 112.43 1wg7 s GLN 14 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 55.36 55.37 1wg7 s GLN 14 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 33.01 33.06 1wg7 s GLN 14 CO 0.00 -0.04 0.00 1.17 0.00 0.00 0.00 175.29 176.42 1wg7 n LYS 15 N 0.42 -0.02 0.00 9.60 4.81 -1.26 -5.02 118.16 126.69 1wg7 n LYS 15 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1wg7 n LYS 15 Cb 0.58 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1wg7 n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wg7 n GLY 16 N -0.03 2.60 3.01 3.14 0.00 -1.26 -5.15 105.19 107.50 1wg7 n GLY 16 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 1wg7 n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wg7 s GLY 17 N 0.00 0.41 0.53 -0.02 0.00 -1.26 -5.13 107.32 101.84 1wg7 s GLY 17 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1wg7 s GLY 17 CO 0.00 -0.36 0.08 1.39 0.00 0.00 0.00 173.10 174.22 1wg7 n ILE 18 N 2.68 0.00 0.00 0.90 5.41 -1.26 -5.15 119.36 121.94 1wg7 n ILE 18 Ca -0.14 -2.41 0.00 0.00 1.00 0.00 0.00 62.75 61.19 1wg7 n ILE 18 Cb 0.57 0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.89 1wg7 n ILE 18 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1wg7 n THR 19 N -1.40 0.00 0.00 1.39 5.66 -1.26 -4.90 114.28 113.76 1wg7 n THR 19 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1wg7 n THR 19 Cb 0.66 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1wg7 n THR 19 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1wg7 n LYS 20 N -0.52 0.00 -4.17 1.09 4.81 -1.26 -5.03 118.16 113.08 1wg7 n LYS 20 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1wg7 n LYS 20 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1wg7 n LYS 20 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1wg7 s HIS 21 N -2.00 1.02 0.00 5.64 -3.43 -1.26 -2.17 115.29 113.09 1wg7 s HIS 21 Ca 0.00 -1.28 0.00 0.00 -0.80 0.00 0.00 55.06 52.98 1wg7 s HIS 21 Cb 0.00 -0.47 0.00 0.00 -1.43 0.00 0.00 32.58 30.68 1wg7 s HIS 21 CO 0.00 -0.66 0.00 0.41 -2.00 0.00 0.00 174.74 172.49 1wg7 n GLY 22 N -0.25 3.54 3.74 -1.38 0.00 -1.18 -5.00 105.19 104.65 1wg7 n GLY 22 Ca 0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1wg7 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wg7 s TRP 23 N -2.00 3.70 0.13 1.61 0.52 -1.26 -0.39 118.94 121.25 1wg7 s TRP 23 Ca 0.00 1.44 0.01 0.00 0.02 0.00 0.00 56.10 57.57 1wg7 s TRP 23 Cb 0.00 -2.83 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 1wg7 s TRP 23 CO 0.00 0.22 -0.02 -1.17 0.02 0.00 0.00 176.95 176.00 1wg7 s LEU 24 N 0.18 2.26 -0.21 2.99 2.96 0.36 -4.87 118.68 122.35 1wg7 s LEU 24 Ca 0.39 -1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 1wg7 s LEU 24 Cb -0.20 0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.50 1wg7 s LEU 24 CO 0.22 -0.55 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.33 1wg7 s TYR 25 N -3.73 2.94 -0.12 5.38 1.51 -0.97 0.21 117.35 122.58 1wg7 s TYR 25 Ca 0.18 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 1wg7 s TYR 25 Cb 0.06 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1wg7 s TYR 25 CO -0.01 -0.52 -0.14 0.21 -1.11 0.00 0.00 175.55 173.98 1wg7 s LYS 26 N 1.35 3.24 0.00 -0.62 2.20 -1.15 -1.35 119.74 123.40 1wg7 s LYS 26 Ca 0.04 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1wg7 s LYS 26 Cb -0.14 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1wg7 s LYS 26 CO -0.03 0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 1wg7 n GLY 27 N 3.36 4.41 2.96 5.54 0.00 -0.19 -3.41 105.19 117.86 1wg7 n GLY 27 Ca -0.18 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg7 s ASN 28 N 1.53 0.12 0.30 1.61 2.47 -1.12 -2.62 114.94 117.25 1wg7 s ASN 28 Ca 0.00 -0.27 -0.19 0.00 0.42 0.00 0.00 52.86 52.82 1wg7 s ASN 28 Cb 0.00 0.09 -0.09 0.00 -1.45 0.00 0.00 41.25 39.80 1wg7 s ASN 28 CO 0.00 -0.20 0.78 -0.04 -3.72 0.00 0.00 177.10 173.92 1wg7 s MET 29 N -0.93 4.18 -0.13 0.43 -1.94 -1.26 -4.33 119.30 115.32 1wg7 s MET 29 Ca -0.10 0.87 -0.31 0.00 -1.71 0.00 0.00 55.69 54.44 1wg7 s MET 29 Cb -0.06 -2.58 0.13 0.00 2.01 0.00 0.00 34.83 34.33 1wg7 s MET 29 CO -0.00 0.22 1.05 -0.80 -0.01 0.00 0.00 175.02 175.48 1wg7 s ASN 30 N -1.99 -0.28 0.12 3.03 -0.87 -1.26 -4.88 114.94 108.81 1wg7 s ASN 30 Ca 0.51 0.15 -0.33 0.00 -1.57 0.00 0.00 52.86 51.62 1wg7 s ASN 30 Cb -0.13 0.26 -0.12 0.00 -0.02 0.00 0.00 41.25 41.24 1wg7 s ASN 30 CO 0.19 -0.37 1.56 -1.28 -2.57 0.00 0.00 177.10 174.63 1wg7 h SER 31 N 2.22 -1.67 -3.99 -1.22 0.87 -1.97 -3.41 113.55 104.38 1wg7 h SER 31 Ca -0.16 0.20 -0.47 0.00 -1.23 0.00 0.00 61.79 60.12 1wg7 h SER 31 Cb 1.19 0.65 0.01 0.00 -0.44 0.00 0.00 62.40 63.81 1wg7 h SER 31 CO 0.28 -0.49 0.39 0.00 -0.53 0.00 0.00 176.83 176.48 1wg7 s ALA 32 N -5.74 3.05 -0.07 6.23 0.00 -1.26 -4.98 121.76 118.99 1wg7 s ALA 32 Ca -0.16 0.63 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 1wg7 s ALA 32 Cb 0.07 -3.24 -0.20 0.00 0.00 0.00 0.00 23.12 19.75 1wg7 s ALA 32 CO 0.62 -0.15 0.93 0.97 0.00 0.00 0.00 175.76 178.13 1wg7 h ILE 33 N 2.07 1.30 -0.07 0.00 6.09 -1.99 -1.46 117.51 123.46 1wg7 h ILE 33 Ca -0.48 -1.52 0.02 0.00 -1.37 0.00 0.00 64.86 61.50 1wg7 h ILE 33 Cb 1.21 2.25 -0.00 0.00 0.47 0.00 0.00 36.82 40.74 1wg7 h ILE 33 CO 0.62 0.36 0.27 0.28 -3.07 0.00 0.00 178.15 176.61 1wg7 h SER 34 N -0.79 0.00 0.47 2.19 0.02 -1.95 1.43 113.55 114.92 1wg7 h SER 34 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wg7 h SER 34 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1wg7 h SER 34 CO 0.01 0.00 -1.15 0.52 -1.14 0.00 0.00 176.83 175.07 1wg7 n VAL 35 N -3.12 0.23 -0.00 2.27 0.31 -1.16 -3.60 118.33 113.25 1wg7 n VAL 35 Ca -0.01 -0.33 -0.21 0.00 -0.01 0.00 0.00 64.34 63.78 1wg7 n VAL 35 Cb 0.35 0.09 -0.14 0.00 -0.91 0.00 0.00 33.84 33.23 1wg7 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg7 h THR 36 N 0.00 1.13 0.00 2.52 1.03 0.29 -3.30 112.91 114.57 1wg7 h THR 36 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.01 1wg7 h THR 36 Cb 0.81 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 70.66 1wg7 h THR 36 CO 0.00 0.66 0.00 0.23 -0.01 0.00 0.00 175.52 176.40 1wg7 n MET 37 N -4.04 0.93 -0.16 0.00 2.81 0.68 -2.78 117.12 114.56 1wg7 n MET 37 Ca -0.23 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.79 1wg7 n MET 37 Cb 0.84 -1.31 0.25 0.00 -0.71 0.00 0.00 33.22 32.29 1wg7 n MET 37 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1wg7 n ARG 38 N -0.81 -0.03 -2.93 0.03 3.00 -1.24 0.45 116.66 115.13 1wg7 n ARG 38 Ca 0.14 0.70 -0.15 0.00 -0.00 0.00 0.00 57.85 58.54 1wg7 n ARG 38 Cb 0.06 -1.22 -0.00 0.00 0.00 0.00 0.00 32.46 31.30 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wg7 n SER 39 N -4.25 1.42 -4.35 6.15 7.64 -1.26 -5.01 113.62 113.96 1wg7 n SER 39 Ca 0.17 -2.95 -0.45 0.00 1.01 0.00 0.00 58.87 56.65 1wg7 n SER 39 Cb 0.57 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1wg7 n SER 39 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1wg7 n PHE 40 N 0.08 5.07 -4.76 1.43 7.35 0.17 -3.78 117.46 123.02 1wg7 n PHE 40 Ca 0.19 -3.72 -0.33 0.00 -0.76 0.00 0.00 57.45 52.83 1wg7 n PHE 40 Cb 0.71 -1.81 -0.12 0.00 0.35 0.00 0.00 39.48 38.61 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1wg7 s LYS 41 N -0.68 2.71 -0.33 -4.13 -0.14 -1.22 -4.91 119.74 111.04 1wg7 s LYS 41 Ca 0.34 -0.63 -0.29 0.00 -1.36 0.00 0.00 55.97 54.03 1wg7 s LYS 41 Cb -0.07 -2.50 0.01 0.00 -1.68 0.00 0.00 37.83 33.59 1wg7 s LYS 41 CO -0.05 0.59 1.16 0.50 -0.76 0.00 0.00 175.35 176.79 1wg7 s ARG 42 N -0.64 3.98 0.36 1.68 3.52 -1.26 -2.94 118.95 123.66 1wg7 s ARG 42 Ca 0.09 1.09 0.08 0.00 -0.13 0.00 0.00 55.73 56.86 1wg7 s ARG 42 Cb -0.11 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 1wg7 s ARG 42 CO 0.01 -1.02 0.07 0.50 -0.81 0.00 0.00 175.30 174.05 1wg7 s ARG 43 N 3.91 2.15 -0.79 5.12 6.06 0.57 -4.83 118.95 131.13 1wg7 s ARG 43 Ca 0.49 -1.76 -0.21 0.00 -2.50 0.00 0.00 55.73 51.76 1wg7 s ARG 43 Cb -0.13 -1.96 0.10 0.00 0.06 0.00 0.00 34.95 33.02 1wg7 s ARG 43 CO 0.20 0.07 1.04 0.12 -2.50 0.00 0.00 175.30 174.23 1wg7 s PHE 44 N -2.53 2.88 -0.66 5.12 5.36 -0.77 0.14 117.98 127.52 1wg7 s PHE 44 Ca 0.37 -0.96 -0.27 0.00 -0.96 0.00 0.00 56.93 55.11 1wg7 s PHE 44 Cb 0.01 -4.29 -0.00 0.00 -0.34 0.00 0.00 43.02 38.40 1wg7 s PHE 44 CO 0.20 -1.57 1.63 -0.06 -1.46 0.00 0.00 175.22 173.96 1wg7 s PHE 45 N 3.41 1.90 -0.29 10.12 0.40 0.48 -1.59 117.98 132.42 1wg7 s PHE 45 Ca 0.27 0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 57.01 1wg7 s PHE 45 Cb -0.11 -4.30 0.02 0.00 0.51 0.00 0.00 43.02 39.14 1wg7 s PHE 45 CO 0.00 -2.22 0.03 -1.58 0.70 0.00 0.00 175.22 172.15 1wg7 s HIS 46 N 7.76 3.15 0.05 0.36 5.65 -0.02 -3.11 115.29 129.13 1wg7 s HIS 46 Ca 0.54 -1.35 -0.29 0.00 0.25 0.00 0.00 55.06 54.22 1wg7 s HIS 46 Cb -0.11 -2.17 -0.05 0.00 -1.18 0.00 0.00 32.58 29.07 1wg7 s HIS 46 CO 0.18 -0.68 0.94 -1.17 -0.65 0.00 0.00 174.74 173.36 1wg7 s LEU 47 N 1.40 4.43 0.03 8.88 2.96 -0.92 -1.85 118.68 133.61 1wg7 s LEU 47 Ca 0.00 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 55.60 1wg7 s LEU 47 Cb -0.18 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1wg7 s LEU 47 CO -0.00 -0.14 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.32 1wg7 s ILE 48 N 0.43 0.38 -0.02 6.68 2.07 -0.63 -4.49 121.20 125.61 1wg7 s ILE 48 Ca 0.48 -0.84 -0.21 0.00 -1.41 0.00 0.00 60.65 58.66 1wg7 s ILE 48 Cb -0.22 -0.45 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 1wg7 s ILE 48 CO 0.28 -0.31 0.62 -1.58 -1.91 0.00 0.00 174.94 172.04 1wg7 s GLN 49 N -1.23 4.36 0.13 3.50 0.74 -1.26 -0.90 119.66 124.99 1wg7 s GLN 49 Ca -0.09 0.77 -0.02 0.00 0.05 0.00 0.00 55.36 56.07 1wg7 s GLN 49 Cb -0.08 -3.38 0.03 0.00 1.10 0.00 0.00 33.01 30.68 1wg7 s GLN 49 CO -0.00 0.27 0.07 1.28 -0.55 0.00 0.00 175.29 176.36 1wg7 n LEU 50 N 3.06 0.00 -0.16 3.68 7.99 0.48 -4.63 117.00 127.42 1wg7 n LEU 50 Ca -0.05 -0.07 0.02 0.00 -0.01 0.00 0.00 56.01 55.91 1wg7 n LEU 50 Cb 0.51 -0.09 0.06 0.00 -0.11 0.00 0.00 43.42 43.79 1wg7 n LEU 50 CO 0.45 -1.49 0.29 0.61 -1.51 0.00 0.00 177.39 175.73 1wg7 n GLY 51 N -0.35 -0.76 0.00 -0.72 0.00 -1.26 -4.08 105.19 98.02 1wg7 n GLY 51 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 52 N -4.71 0.00 0.00 1.61 8.00 -1.26 -5.08 116.55 115.10 1wg7 n ASP 52 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1wg7 n ASP 52 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg7 n GLY 53 N 0.00 -1.55 3.65 0.44 0.00 -1.26 -5.14 105.19 101.34 1wg7 n GLY 53 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 46.02 46.25 1wg7 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg7 s SER 54 N -4.00 2.78 0.43 1.61 0.01 -1.26 -4.67 113.70 108.59 1wg7 s SER 54 Ca 0.00 1.95 0.06 0.00 1.31 0.00 0.00 55.95 59.27 1wg7 s SER 54 Cb 0.00 -2.48 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 1wg7 s SER 54 CO 0.00 -3.15 0.05 -0.31 0.41 0.00 0.00 173.24 170.24 1wg7 s TYR 55 N -2.67 2.42 -0.29 2.43 1.51 -1.26 0.18 117.35 119.67 1wg7 s TYR 55 Ca 0.66 -0.70 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 1wg7 s TYR 55 Cb -0.22 -1.79 0.13 0.00 -0.11 0.00 0.00 41.96 39.97 1wg7 s TYR 55 CO 0.59 0.35 0.85 -0.80 -1.11 0.00 0.00 175.55 175.43 1wg7 s ASN 56 N -3.78 -0.76 -0.59 2.29 0.01 -0.08 -4.25 114.94 107.78 1wg7 s ASN 56 Ca 0.32 1.12 -0.21 0.00 -0.71 0.00 0.00 52.86 53.38 1wg7 s ASN 56 Cb 0.07 1.63 0.07 0.00 0.41 0.00 0.00 41.25 43.44 1wg7 s ASN 56 CO 0.17 -0.17 0.80 -0.22 -1.51 0.00 0.00 177.10 176.18 1wg7 s LEU 57 N 2.08 4.80 -0.15 0.60 1.98 -1.21 -1.61 118.68 125.17 1wg7 s LEU 57 Ca -0.07 -1.04 -0.08 0.00 -2.89 0.00 0.00 54.13 50.05 1wg7 s LEU 57 Cb -0.07 -2.44 -0.04 0.00 0.66 0.00 0.00 46.19 44.30 1wg7 s LEU 57 CO -0.18 -1.19 0.13 0.20 -1.89 0.00 0.00 176.35 173.42 1wg7 s ASN 58 N 3.35 6.27 -0.18 3.68 0.01 -0.77 -1.85 114.94 125.44 1wg7 s ASN 58 Ca 0.18 0.35 -0.06 0.00 -0.71 0.00 0.00 52.86 52.62 1wg7 s ASN 58 Cb -0.19 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 1wg7 s ASN 58 CO 0.10 0.31 0.03 0.72 -1.51 0.00 0.00 177.10 176.75 1wg7 s PHE 59 N -0.43 3.14 -0.09 2.20 -0.12 -0.96 -0.84 117.98 120.88 1wg7 s PHE 59 Ca 0.12 -0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.83 1wg7 s PHE 59 Cb -0.12 -2.06 -0.03 0.00 -0.63 0.00 0.00 43.02 40.18 1wg7 s PHE 59 CO 0.01 0.00 0.02 0.71 -0.05 0.00 0.00 175.22 175.92 1wg7 s TYR 60 N 0.57 3.23 0.52 3.49 1.51 -0.62 -2.15 117.35 123.89 1wg7 s TYR 60 Ca 0.01 0.23 0.37 0.00 -1.01 0.00 0.00 57.07 56.67 1wg7 s TYR 60 Cb -0.13 -1.82 1.53 0.00 -0.11 0.00 0.00 41.96 41.43 1wg7 s TYR 60 CO 0.02 0.49 1.74 -0.22 -1.11 0.00 0.00 175.55 176.47 1wg7 h LYS 61 N 5.20 0.05 -4.45 -0.62 3.64 -1.92 -2.03 116.57 116.44 1wg7 h LYS 61 Ca -0.51 -0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.62 1wg7 h LYS 61 Cb 1.20 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.87 1wg7 h LYS 61 CO 0.55 0.03 -0.49 -0.51 -2.27 0.00 0.00 179.45 176.77 1wg7 s ASP 62 N -4.84 0.41 0.08 4.20 1.01 -1.26 -4.68 116.67 111.59 1wg7 s ASP 62 Ca -0.06 -1.38 -0.31 0.00 0.71 0.00 0.00 52.55 51.51 1wg7 s ASP 62 Cb 0.25 0.46 -0.15 0.00 1.01 0.00 0.00 42.92 44.49 1wg7 s ASP 62 CO 0.83 -0.96 1.49 -0.33 0.21 0.00 0.00 175.17 176.41 1wg7 h GLU 63 N 2.45 -0.80 -5.04 8.23 5.08 -1.94 -3.40 114.58 119.16 1wg7 h GLU 63 Ca -0.32 0.05 -0.55 0.00 -1.00 0.00 0.00 59.36 57.54 1wg7 h GLU 63 Cb 1.25 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.60 1wg7 h GLU 63 CO 0.46 -0.53 1.56 1.63 -1.00 0.00 0.00 179.01 181.13 1wg7 n LYS 64 N -5.14 0.00 0.00 2.33 5.02 -1.26 -4.85 118.16 114.26 1wg7 n LYS 64 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1wg7 n LYS 64 Cb 0.40 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1wg7 n LYS 64 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1wg7 n ILE 65 N 6.88 0.00 0.00 -0.18 -5.35 -1.26 -4.71 119.36 114.74 1wg7 n ILE 65 Ca 0.60 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.08 1wg7 n ILE 65 Cb 0.01 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -3.05 7.28 2.88 -1.26 -4.90 113.62 114.57 1wg7 n SER 66 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1wg7 n SER 66 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1wg7 n SER 66 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wg7 n LYS 67 N 0.00 -2.80 -2.35 -1.46 5.02 -1.26 -4.89 118.16 110.42 1wg7 n LYS 67 Ca 0.00 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.43 1wg7 n LYS 67 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1wg7 n LYS 67 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wg7 s GLU 68 N -3.63 4.37 0.78 1.97 2.02 -1.26 -5.01 118.70 117.94 1wg7 s GLU 68 Ca 0.20 1.84 -0.11 0.00 0.02 0.00 0.00 54.97 56.92 1wg7 s GLU 68 Cb -0.03 -3.41 0.06 0.00 0.10 0.00 0.00 34.13 30.84 1wg7 s GLU 68 CO 0.17 -0.38 1.09 -1.25 0.02 0.00 0.00 175.26 174.91 1wg7 s PRO 69 N 1.52 2.23 0.40 0.39 0.04 -1.26 -4.96 135.00 133.37 1wg7 s PRO 69 Ca 0.60 0.69 0.22 0.00 0.04 0.00 0.00 61.00 62.55 1wg7 s PRO 69 Cb -0.30 -1.93 0.28 0.00 0.04 0.00 0.00 34.50 32.59 1wg7 s PRO 69 CO 0.28 -1.53 1.53 0.87 0.04 0.00 0.00 177.00 178.18 1wg7 h LYS 70 N -1.02 0.00 0.00 4.56 1.79 -1.82 -3.48 116.57 116.59 1wg7 h LYS 70 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1wg7 h LYS 70 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1wg7 h LYS 70 CO 0.59 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 179.40 1wg7 n GLY 71 N 1.12 1.18 3.03 3.86 0.00 -1.25 -5.02 105.19 108.10 1wg7 n GLY 71 Ca 0.03 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 1wg7 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 72 N 0.00 1.06 -0.36 1.61 1.04 -1.26 -2.27 113.70 113.52 1wg7 s SER 72 Ca 0.00 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.05 1wg7 s SER 72 Cb 0.00 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 1wg7 s SER 72 CO 0.00 0.07 0.38 -0.63 0.98 0.00 0.00 173.24 174.04 1wg7 s ILE 73 N -0.37 5.15 -1.07 -1.02 1.01 -0.77 -4.95 121.20 119.18 1wg7 s ILE 73 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.43 1wg7 s ILE 73 Cb -0.04 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 1wg7 s ILE 73 CO -0.00 -0.17 1.94 0.49 0.00 0.00 0.00 174.94 177.20 1wg7 n PHE 74 N 5.44 2.76 -0.09 3.97 3.72 -1.26 -3.33 117.46 128.67 1wg7 n PHE 74 Ca -0.09 -1.96 0.26 0.00 -0.05 0.00 0.00 57.45 55.62 1wg7 n PHE 74 Cb 0.49 -2.27 0.66 0.00 -0.94 0.00 0.00 39.48 37.43 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1wg7 h LEU 75 N 14.65 0.00 -1.56 4.37 3.38 -1.93 1.55 115.31 135.77 1wg7 h LEU 75 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1wg7 h LEU 75 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1wg7 h LEU 75 CO 1.62 0.00 0.30 -0.78 0.09 0.00 0.00 178.44 179.67 1wg7 h ASP 76 N 0.00 0.51 0.23 -0.43 1.82 -1.84 -2.56 116.42 114.15 1wg7 h ASP 76 Ca 0.36 -0.01 -0.34 0.00 -0.39 0.00 0.00 57.03 56.65 1wg7 h ASP 76 Cb 1.88 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 41.72 1wg7 h ASP 76 CO -0.00 0.36 -1.98 -1.20 -1.61 0.00 0.00 179.24 174.80 1wg7 n SER 77 N -4.47 1.51 -4.48 2.28 7.64 0.51 -4.93 113.62 111.68 1wg7 n SER 77 Ca 0.04 0.23 -0.55 0.00 1.01 0.00 0.00 58.87 59.60 1wg7 n SER 77 Cb 0.08 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 1wg7 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 h MET 79 N 2.47 0.29 0.00 0.00 0.00 0.18 -3.46 114.93 114.40 1wg7 h MET 79 Ca -0.43 -0.49 0.00 0.00 0.00 0.00 0.00 59.70 58.78 1wg7 h MET 79 Cb 1.42 0.18 0.00 0.00 0.00 0.00 0.00 31.60 33.21 1wg7 h MET 79 CO 0.63 1.23 0.00 0.41 0.00 0.00 0.00 176.91 179.19 1wg7 n GLY 80 N 1.85 1.08 3.65 8.32 0.00 -1.12 -4.95 105.19 114.02 1wg7 n GLY 80 Ca -0.28 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1wg7 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wg7 s VAL 81 N -2.00 5.03 0.34 1.61 1.01 -1.26 -0.53 120.40 124.59 1wg7 s VAL 81 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1wg7 s VAL 81 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1wg7 s VAL 81 CO 0.00 0.43 0.29 0.68 0.00 0.00 0.00 175.10 176.50 1wg7 s VAL 82 N 0.56 3.48 -0.05 2.92 -7.23 0.21 -4.94 120.40 115.35 1wg7 s VAL 82 Ca 0.05 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1wg7 s VAL 82 Cb -0.12 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1wg7 s VAL 82 CO 0.01 -0.17 0.17 -1.10 -0.31 0.00 0.00 175.10 173.70 1wg7 s GLN 83 N -3.99 3.45 -0.10 4.82 -0.21 -1.26 -1.26 119.66 121.11 1wg7 s GLN 83 Ca 0.41 -0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.50 1wg7 s GLN 83 Cb -0.06 -3.13 0.04 0.00 1.00 0.00 0.00 33.01 30.86 1wg7 s GLN 83 CO 0.26 0.71 0.24 1.21 -2.12 0.00 0.00 175.29 175.60 1wg7 s ASN 84 N -1.57 -0.26 -0.10 5.90 2.47 0.48 -4.78 114.94 117.10 1wg7 s ASN 84 Ca 0.22 0.51 0.15 0.00 0.42 0.00 0.00 52.86 54.16 1wg7 s ASN 84 Cb -0.12 0.41 0.32 0.00 -1.45 0.00 0.00 41.25 40.41 1wg7 s ASN 84 CO 0.13 -0.15 1.15 -3.20 -3.72 0.00 0.00 177.10 171.31 1wg7 n ASN 85 N 4.01 1.33 0.00 -4.21 5.15 -1.26 -1.85 115.26 118.43 1wg7 n ASN 85 Ca -0.23 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 1wg7 n ASN 85 Cb 0.54 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1wg7 n LYS 86 N -0.52 0.00 0.00 1.20 4.01 -1.26 -4.68 118.16 116.92 1wg7 n LYS 86 Ca 0.11 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 1wg7 n LYS 86 Cb 0.81 -0.62 0.00 0.00 -0.51 0.00 0.00 35.03 34.71 1wg7 n LYS 86 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1wg7 n VAL 87 N -1.70 0.00 -4.37 -0.18 0.31 -1.26 -4.84 118.33 106.28 1wg7 n VAL 87 Ca 0.00 0.98 -0.22 0.00 -0.01 0.00 0.00 64.34 65.09 1wg7 n VAL 87 Cb 0.00 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.36 1wg7 n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg7 s ARG 88 N -0.96 1.84 0.29 5.55 1.70 -1.26 -5.09 118.95 121.01 1wg7 s ARG 88 Ca 0.00 -2.09 -0.29 0.00 -0.47 0.00 0.00 55.73 52.88 1wg7 s ARG 88 Cb 0.00 -0.01 -0.10 0.00 -0.57 0.00 0.00 34.95 34.27 1wg7 s ARG 88 CO 0.00 -0.60 1.34 1.03 -1.08 0.00 0.00 175.30 175.99 1wg7 s ARG 89 N -3.53 4.34 -0.41 3.89 0.52 -1.26 -4.06 118.95 118.44 1wg7 s ARG 89 Ca 0.34 2.20 -0.15 0.00 -0.52 0.00 0.00 55.73 57.61 1wg7 s ARG 89 Cb 0.02 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.41 1wg7 s ARG 89 CO 0.23 -0.25 0.51 1.19 0.02 0.00 0.00 175.30 177.00 1wg7 n PHE 90 N 1.47 -3.50 -3.86 -0.53 3.72 -1.26 -4.61 117.46 108.89 1wg7 n PHE 90 Ca 0.03 1.44 -0.12 0.00 -0.05 0.00 0.00 57.45 58.74 1wg7 n PHE 90 Cb 0.42 -3.94 -0.14 0.00 -0.94 0.00 0.00 39.48 34.88 1wg7 n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wg7 s ALA 91 N -2.39 -0.10 0.01 4.37 0.00 -0.77 -2.13 121.76 120.75 1wg7 s ALA 91 Ca 0.22 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1wg7 s ALA 91 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1wg7 s ALA 91 CO 0.77 -0.02 -0.01 -0.59 0.00 0.00 0.00 175.76 175.91 1wg7 s PHE 92 N 0.01 0.10 0.03 0.00 -0.71 0.97 0.18 117.98 118.55 1wg7 s PHE 92 Ca -0.00 -0.14 -0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1wg7 s PHE 92 Cb -0.00 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1wg7 s PHE 92 CO 0.00 -0.05 0.13 -2.00 -1.34 0.00 0.00 175.22 171.96 1wg7 s GLU 93 N -0.38 3.18 -0.46 1.99 2.12 -0.39 0.14 118.70 124.90 1wg7 s GLU 93 Ca -0.04 -0.49 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 1wg7 s GLU 93 Cb -0.03 -2.92 0.10 0.00 0.26 0.00 0.00 34.13 31.55 1wg7 s GLU 93 CO -0.00 0.63 0.35 -0.51 -0.54 0.00 0.00 175.26 175.18 1wg7 s LEU 94 N -2.08 5.58 -0.64 2.70 2.01 0.44 0.64 118.68 127.33 1wg7 s LEU 94 Ca 0.28 -1.66 -0.26 0.00 0.01 0.00 0.00 54.13 52.49 1wg7 s LEU 94 Cb -0.12 -2.06 -0.02 0.00 0.01 0.00 0.00 46.19 44.00 1wg7 s LEU 94 CO 0.19 -0.66 1.83 -0.54 1.01 0.00 0.00 176.35 178.18 1wg7 s LYS 95 N 1.46 2.66 0.59 1.70 -0.14 0.31 -2.08 119.74 124.24 1wg7 s LYS 95 Ca 0.04 0.50 -0.05 0.00 -1.36 0.00 0.00 55.97 55.10 1wg7 s LYS 95 Cb -0.25 -4.41 0.02 0.00 -1.68 0.00 0.00 37.83 31.50 1wg7 s LYS 95 CO 0.02 -2.73 0.89 -1.64 -0.76 0.00 0.00 175.35 171.13 1wg7 s MET 96 N 6.96 2.82 -0.01 1.68 -1.94 -0.75 0.19 119.30 128.25 1wg7 s MET 96 Ca 0.65 -0.12 0.21 0.00 -1.71 0.00 0.00 55.69 54.72 1wg7 s MET 96 Cb -0.12 -2.30 -0.26 0.00 2.01 0.00 0.00 34.83 34.16 1wg7 s MET 96 CO 0.19 -0.73 0.75 0.00 -0.01 0.00 0.00 175.02 175.22 1wg7 n GLN 97 N -2.57 0.32 -1.07 2.03 10.64 -1.21 -4.36 117.38 121.16 1wg7 n GLN 97 Ca 0.05 -0.06 -0.17 0.00 -1.83 0.00 0.00 57.00 54.98 1wg7 n GLN 97 Cb 0.58 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 28.43 1wg7 n GLN 97 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wg7 n ASP 98 N -1.73 6.10 -3.47 2.61 2.03 -1.26 -4.81 116.55 116.01 1wg7 n ASP 98 Ca 0.01 -2.92 -0.31 0.00 0.52 0.00 0.00 54.79 52.10 1wg7 n ASP 98 Cb 0.40 -1.20 0.03 0.00 -0.72 0.00 0.00 41.12 39.63 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wg7 n LYS 99 N 1.08 -1.88 0.00 -0.67 4.01 -1.26 -4.95 118.16 114.50 1wg7 n LYS 99 Ca 0.35 1.37 0.00 0.00 -0.51 0.00 0.00 58.31 59.52 1wg7 n LYS 99 Cb 0.62 -2.71 0.00 0.00 -0.51 0.00 0.00 35.03 32.43 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1wg7 n SER 100 N -0.81 0.00 -3.64 4.39 7.64 -1.26 -5.09 113.62 114.85 1wg7 n SER 100 Ca -0.11 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.70 1wg7 n SER 100 Cb 0.65 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.78 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg7 s SER 101 N 0.00 -0.65 -0.19 6.43 1.04 -1.26 -1.81 113.70 117.27 1wg7 s SER 101 Ca 0.00 1.12 -0.13 0.00 0.48 0.00 0.00 55.95 57.42 1wg7 s SER 101 Cb 0.00 1.21 -0.05 0.00 0.10 0.00 0.00 66.02 67.28 1wg7 s SER 101 CO 0.00 -0.18 0.25 -0.31 0.98 0.00 0.00 173.24 173.98 1wg7 s TYR 102 N 0.95 3.42 -0.57 5.02 2.02 -0.88 -4.82 117.35 122.49 1wg7 s TYR 102 Ca -0.04 0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 56.96 1wg7 s TYR 102 Cb -0.05 -2.32 0.10 0.00 -0.40 0.00 0.00 41.96 39.30 1wg7 s TYR 102 CO -0.11 0.19 0.66 -1.17 -1.57 0.00 0.00 175.55 173.55 1wg7 s LEU 103 N 0.63 5.42 0.34 -1.29 2.96 -1.08 0.17 118.68 125.84 1wg7 s LEU 103 Ca 0.14 -1.39 -0.04 0.00 -0.22 0.00 0.00 54.13 52.62 1wg7 s LEU 103 Cb -0.13 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1wg7 s LEU 103 CO 0.03 -1.04 0.60 -0.76 -1.32 0.00 0.00 176.35 173.87 1wg7 s LEU 104 N 2.52 3.96 -0.29 -0.68 1.43 0.37 -1.03 118.68 124.96 1wg7 s LEU 104 Ca 0.11 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 1wg7 s LEU 104 Cb -0.24 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.56 1wg7 s LEU 104 CO 0.07 -0.30 0.77 0.00 0.23 0.00 0.00 176.35 177.11 1wg7 s ALA 105 N -2.28 -2.19 0.59 4.21 0.00 -0.46 -0.02 121.76 121.62 1wg7 s ALA 105 Ca 0.44 2.28 0.09 0.00 0.00 0.00 0.00 51.96 54.78 1wg7 s ALA 105 Cb -0.10 -1.76 0.09 0.00 0.00 0.00 0.00 23.12 21.35 1wg7 s ALA 105 CO 0.34 -0.76 0.78 0.00 0.00 0.00 0.00 175.76 176.12 1wg7 s ALA 106 N 2.38 4.72 -0.08 0.00 0.00 -0.91 -2.30 121.76 125.59 1wg7 s ALA 106 Ca -0.06 -2.11 -0.04 0.00 0.00 0.00 0.00 51.96 49.74 1wg7 s ALA 106 Cb -0.08 -1.37 -0.27 0.00 0.00 0.00 0.00 23.12 21.40 1wg7 s ALA 106 CO -0.18 -0.90 0.54 -0.44 0.00 0.00 0.00 175.76 174.78 1wg7 h ASP 107 N 0.17 0.39 -3.31 0.00 5.19 -1.87 -3.44 116.42 113.55 1wg7 h ASP 107 Ca -0.29 -0.74 -0.66 0.00 -0.62 0.00 0.00 57.03 54.71 1wg7 h ASP 107 Cb 1.29 -0.13 -0.19 0.00 0.18 0.00 0.00 39.33 40.48 1wg7 h ASP 107 CO 0.42 1.65 -0.83 -0.44 -3.12 0.00 0.00 179.24 176.92 1wg7 s SER 108 N -6.94 3.41 0.24 6.45 0.01 -1.26 -4.96 113.70 110.66 1wg7 s SER 108 Ca -0.16 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 1wg7 s SER 108 Cb 0.07 -0.25 0.44 0.00 0.21 0.00 0.00 66.02 66.49 1wg7 s SER 108 CO 0.81 0.13 1.66 1.05 0.41 0.00 0.00 173.24 177.30 1wg7 h GLU 109 N 3.31 0.18 0.10 12.44 4.11 -1.94 -0.06 114.58 132.73 1wg7 h GLU 109 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1wg7 h GLU 109 Cb 1.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1wg7 h GLU 109 CO 0.46 0.12 -0.19 -0.24 0.07 0.00 0.00 179.01 179.24 1wg7 h VAL 110 N 0.19 0.00 -0.45 -1.06 3.04 -1.97 1.78 116.25 117.78 1wg7 h VAL 110 Ca 0.41 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 66.23 1wg7 h VAL 110 Cb 0.71 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1wg7 h VAL 110 CO -0.57 0.00 0.72 -0.33 -1.01 0.00 0.00 177.57 176.38 1wg7 h GLU 111 N -0.31 0.00 0.04 4.17 5.08 -1.77 1.58 114.58 123.37 1wg7 h GLU 111 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1wg7 h GLU 111 Cb 0.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1wg7 h GLU 111 CO -0.07 0.00 -1.70 1.98 -1.00 0.00 0.00 179.01 178.22 1wg7 h MET 112 N 0.00 0.08 0.14 2.33 4.05 0.11 -3.34 114.93 118.30 1wg7 h MET 112 Ca 0.21 -0.14 -0.21 0.00 -0.28 0.00 0.00 59.70 59.28 1wg7 h MET 112 Cb 1.65 0.05 0.02 0.00 -0.80 0.00 0.00 31.60 32.52 1wg7 h MET 112 CO -0.00 0.74 -0.96 1.05 0.23 0.00 0.00 176.91 177.96 1wg7 h GLU 113 N 0.02 0.31 -0.28 0.39 4.11 1.27 -3.07 114.58 117.32 1wg7 h GLU 113 Ca -0.29 -0.52 0.03 0.00 0.07 0.00 0.00 59.36 58.65 1wg7 h GLU 113 Cb 2.00 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 31.40 1wg7 h GLU 113 CO 0.09 1.25 -0.32 0.93 0.07 0.00 0.00 179.01 181.03 1wg7 h GLU 114 N -0.33 -0.19 -0.08 1.06 5.08 0.12 0.37 114.58 120.62 1wg7 h GLU 114 Ca -0.18 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1wg7 h GLU 114 Cb 1.70 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.93 1wg7 h GLU 114 CO 0.14 -0.12 -0.33 -1.49 -1.00 0.00 0.00 179.01 176.21 1wg7 h TRP 115 N -0.19 -0.92 -1.15 4.33 4.06 -1.73 1.06 115.95 121.40 1wg7 h TRP 115 Ca 0.05 0.04 0.33 0.00 2.06 0.00 0.00 58.89 61.37 1wg7 h TRP 115 Cb 0.32 0.42 -0.05 0.00 -1.00 0.00 0.00 29.16 28.85 1wg7 h TRP 115 CO -0.72 -0.41 1.02 0.82 -3.56 0.00 0.00 178.44 175.59 1wg7 h ILE 116 N -0.44 0.17 0.08 1.49 2.04 -1.12 0.83 117.51 120.56 1wg7 h ILE 116 Ca 0.08 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.62 1wg7 h ILE 116 Cb 0.56 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1wg7 h ILE 116 CO -0.32 0.00 -1.73 0.41 0.00 0.00 0.00 178.15 176.51 1wg7 n THR 117 N -3.71 1.69 0.38 -0.27 -1.04 0.22 -3.05 114.28 108.50 1wg7 n THR 117 Ca 0.25 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 61.69 1wg7 n THR 117 Cb 1.39 -1.85 -0.08 0.00 -1.82 0.00 0.00 70.33 67.97 1wg7 n THR 117 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1wg7 h ILE 118 N -0.35 0.00 -0.25 12.58 5.03 0.70 0.67 117.51 135.89 1wg7 h ILE 118 Ca -0.40 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.40 1wg7 h ILE 118 Cb 1.75 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 35.47 1wg7 h ILE 118 CO -0.03 0.00 -0.23 -0.07 -0.68 0.00 0.00 178.15 177.13 1wg7 h LEU 119 N -1.00 -0.74 -0.39 1.44 3.38 -0.25 -0.77 115.31 116.99 1wg7 h LEU 119 Ca -0.10 0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1wg7 h LEU 119 Cb 0.78 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1wg7 h LEU 119 CO 0.14 -0.27 -0.15 0.78 0.09 0.00 0.00 178.44 179.03 1wg7 h ASN 120 N -0.23 -0.52 -0.22 -0.43 2.35 -1.45 0.72 115.58 115.80 1wg7 h ASN 120 Ca 0.14 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 56.05 1wg7 h ASN 120 Cb 0.45 0.30 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1wg7 h ASN 120 CO -0.38 -0.18 -0.31 0.11 -1.65 0.00 0.00 177.43 175.02 1wg7 h LYS 121 N -0.07 -0.21 -0.83 0.81 6.56 0.17 1.57 116.57 124.57 1wg7 h LYS 121 Ca 0.19 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.91 1wg7 h LYS 121 Cb 0.36 0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 32.01 1wg7 h LYS 121 CO -0.44 -0.14 0.54 0.82 -2.06 0.00 0.00 179.45 178.18 1wg7 h ILE 122 N -0.22 0.91 1.01 1.86 5.03 -0.68 1.28 117.51 126.70 1wg7 h ILE 122 Ca 0.04 -0.25 -0.05 0.00 -0.12 0.00 0.00 64.86 64.48 1wg7 h ILE 122 Cb 0.33 0.12 0.01 0.00 -3.03 0.00 0.00 36.82 34.25 1wg7 h ILE 122 CO -0.32 0.13 -0.49 -0.07 -0.68 0.00 0.00 178.15 176.72 1wg7 h LEU 123 N 0.72 -1.15 -0.52 1.44 4.07 0.41 1.42 115.31 121.70 1wg7 h LEU 123 Ca 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.38 1wg7 h LEU 123 Cb 0.54 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 1wg7 h LEU 123 CO -0.16 -0.82 0.26 1.56 -1.08 0.00 0.00 178.44 178.19 1wg7 h GLN 124 N -1.35 0.75 -0.35 1.13 4.20 0.27 -1.89 115.11 117.88 1wg7 h GLN 124 Ca -0.14 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1wg7 h GLN 124 Cb 1.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1wg7 h GLN 124 CO 0.23 0.62 0.10 -0.07 -0.67 0.00 0.00 178.83 179.04 1wg7 h LEU 125 N 0.70 0.46 -1.62 1.46 4.07 0.17 -0.70 115.31 119.85 1wg7 h LEU 125 Ca 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1wg7 h LEU 125 Cb 0.11 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1wg7 h LEU 125 CO -0.02 0.45 0.16 0.78 -1.08 0.00 0.00 178.44 178.73 1wg7 h ASN 126 N 0.50 0.37 -0.38 -0.43 2.35 0.28 0.58 115.58 118.84 1wg7 h ASN 126 Ca 0.12 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 1wg7 h ASN 126 Cb 0.17 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1wg7 h ASN 126 CO -0.01 0.30 -0.32 0.15 -1.65 0.00 0.00 177.43 175.91 1wg7 h PHE 127 N 0.42 1.08 0.00 1.19 3.04 -0.75 -2.06 116.94 119.86 1wg7 h PHE 127 Ca 0.11 -0.30 -0.10 0.00 3.98 0.00 0.00 57.97 61.67 1wg7 h PHE 127 Cb 0.02 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1wg7 h PHE 127 CO 0.00 1.11 -0.46 0.93 -2.02 0.00 0.00 178.31 177.87 1wg7 h GLU 128 N 0.77 0.00 -0.30 1.11 5.08 -1.01 -3.19 114.58 117.04 1wg7 h GLU 128 Ca 0.08 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1wg7 h GLU 128 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1wg7 h GLU 128 CO 0.08 0.46 -0.39 0.00 -1.00 0.00 0.00 179.01 178.17 1wg7 h ALA 129 N 1.54 0.75 0.82 3.43 0.00 0.30 -1.59 119.26 124.51 1wg7 h ALA 129 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1wg7 h ALA 129 Cb 1.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wg7 h ALA 129 CO 0.06 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.49 1wg7 h ALA 130 N 0.98 -1.29 -0.90 0.00 0.00 -1.36 0.71 119.26 117.41 1wg7 h ALA 130 Ca 0.05 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1wg7 h ALA 130 Cb 0.93 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1wg7 h ALA 130 CO 0.08 -1.23 0.58 0.52 0.00 0.00 0.00 179.25 179.20 1wg7 h MET 131 N -1.20 0.74 -0.13 0.00 2.07 -1.58 0.91 114.93 115.74 1wg7 h MET 131 Ca -0.11 -0.04 -0.12 0.00 -2.07 0.00 0.00 59.70 57.35 1wg7 h MET 131 Cb 0.95 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.50 1wg7 h MET 131 CO 0.13 0.49 -0.46 1.96 1.07 0.00 0.00 176.91 180.11 1wg7 h GLN 132 N 0.77 0.32 0.04 1.72 1.08 -0.85 -3.26 115.11 114.92 1wg7 h GLN 132 Ca 0.44 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1wg7 h GLN 132 Cb 0.61 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1wg7 h GLN 132 CO -0.20 0.71 -0.02 0.93 -0.95 0.00 0.00 178.83 179.30 1wg7 h GLU 133 N 0.26 -0.05 0.00 1.46 4.39 0.32 -3.42 114.58 117.53 1wg7 h GLU 133 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1wg7 h GLU 133 Cb 0.91 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1wg7 h GLU 133 CO 0.07 0.52 0.00 1.17 -1.16 0.00 0.00 179.01 179.62 1wg7 n LYS 134 N -4.74 0.00 -2.28 2.33 0.00 0.29 -4.31 118.16 109.44 1wg7 n LYS 134 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.85 1wg7 n LYS 134 Cb 0.29 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.34 1wg7 n LYS 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wg7 n ARG 135 N 0.00 4.38 0.00 1.64 5.12 -1.26 -4.14 116.66 122.40 1wg7 n ARG 135 Ca 0.00 -4.04 0.00 0.00 -1.93 0.00 0.00 57.85 51.88 1wg7 n ARG 135 Cb 0.00 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 28.89 1wg7 n ARG 135 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1wg7 n ASN 136 N 0.09 0.00 0.00 0.55 2.85 -1.26 -4.53 115.26 112.95 1wg7 n ASN 136 Ca 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 1wg7 n ASN 136 Cb 0.27 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg7 n GLY 137 N -1.29 1.95 3.07 8.20 0.00 -1.26 -5.09 105.19 110.77 1wg7 n GLY 137 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1wg7 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 138 N 0.00 -4.80 -3.93 1.61 8.00 -1.26 -4.86 116.55 111.30 1wg7 n ASP 138 Ca 0.00 0.16 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1wg7 n ASP 138 Cb 0.00 -0.79 -0.13 0.00 -0.02 0.00 0.00 41.12 40.17 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wg7 s SER 139 N -1.19 4.42 0.21 -2.24 0.15 -1.26 -4.39 113.70 109.41 1wg7 s SER 139 Ca 0.42 -3.23 0.02 0.00 0.70 0.00 0.00 55.95 53.86 1wg7 s SER 139 Cb -0.13 -1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1wg7 s SER 139 CO 0.77 -0.19 0.06 1.41 1.20 0.00 0.00 173.24 176.49 1wg7 n HIS 140 N 2.81 0.18 -3.75 3.44 8.25 -1.26 -4.96 115.22 119.92 1wg7 n HIS 140 Ca 0.09 -1.29 -0.31 0.00 -0.26 0.00 0.00 57.72 55.95 1wg7 n HIS 140 Cb 0.33 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.31 1wg7 n HIS 140 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1wg7 n GLU 141 N -0.49 2.26 -3.65 -0.41 0.00 -1.26 -4.97 120.64 112.12 1wg7 n GLU 141 Ca -0.04 -4.50 -0.03 0.00 0.00 0.00 0.00 57.16 52.58 1wg7 n GLU 141 Cb 0.31 -2.34 -0.05 0.00 0.00 0.00 0.00 31.44 29.35 1wg7 n GLU 141 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1wg7 s ASP 142 N -1.01 -1.07 0.00 4.31 1.47 -1.26 -4.29 116.67 114.82 1wg7 s ASP 142 Ca 0.27 1.55 0.00 0.00 1.18 0.00 0.00 52.55 55.56 1wg7 s ASP 142 Cb -0.04 1.96 0.00 0.00 -0.34 0.00 0.00 42.92 44.50 1wg7 s ASP 142 CO -0.14 -0.23 0.00 -0.90 0.68 0.00 0.00 175.17 174.58 1wg7 n ASP 143 N 5.02 0.00 -3.15 2.11 5.75 -1.26 -4.64 116.55 120.38 1wg7 n ASP 143 Ca -0.15 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.68 1wg7 n ASP 143 Cb 0.53 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1wg7 n ASP 143 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1wg7 s GLU 144 N -2.00 0.32 2.03 0.11 2.12 -1.26 -5.14 118.70 114.88 1wg7 s GLU 144 Ca 0.00 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1wg7 s GLU 144 Cb 0.00 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1wg7 s GLU 144 CO 0.00 -0.57 0.00 0.43 -0.54 0.00 0.00 175.26 174.58 1wg7 n SER 145 N 5.26 -0.40 0.00 -1.70 7.64 -1.26 -4.96 113.62 118.20 1wg7 n SER 145 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1wg7 n SER 145 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1wg7 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg7 n GLY 146 N 0.00 1.22 3.66 0.23 0.00 -1.26 -4.24 105.19 104.80 1wg7 n GLY 146 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 1wg7 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg7 s PRO 147 N 0.00 4.25 -0.28 1.61 0.04 -1.26 -4.98 135.00 134.37 1wg7 s PRO 147 Ca 0.00 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1wg7 s PRO 147 Cb 0.00 -3.74 0.13 0.00 0.04 0.00 0.00 34.50 30.93 1wg7 s PRO 147 CO 0.00 -0.67 0.97 -1.54 0.04 0.00 0.00 177.00 175.81 1wg7 s SER 148 N 1.93 -0.52 -0.40 6.66 1.04 -1.26 -4.46 113.70 116.69 1wg7 s SER 148 Ca 0.55 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.75 1wg7 s SER 148 Cb -0.23 1.07 0.02 0.00 0.10 0.00 0.00 66.02 66.99 1wg7 s SER 148 CO 0.16 -0.15 0.47 -0.24 0.98 0.00 0.00 173.24 174.46 1wg7 n SER 149 N 3.05 -7.79 0.00 7.02 2.88 -1.26 -5.06 113.62 112.46 1wg7 n SER 149 Ca -0.16 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1wg7 n SER 149 Cb 0.57 -5.07 0.00 0.00 -0.75 0.00 0.00 64.21 58.96 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42