#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 5.45 0.26 1.61 0.01 -1.26 -4.43 113.70 115.34 1wg7 s SER 2 Ca 0.00 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wg7 s SER 2 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wg7 s SER 2 CO 0.00 -2.33 0.00 -0.24 0.41 0.00 0.00 173.24 171.08 1wg7 n SER 3 N 12.30 -0.18 -3.80 2.44 2.88 -1.26 -4.78 113.62 121.22 1wg7 n SER 3 Ca 0.23 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1wg7 n SER 3 Cb 0.50 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 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 1.49 -2.27 1.32 0.46 0.00 -1.26 -4.95 105.19 99.98 1wg7 n GLY 4 Ca 0.00 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.08 1wg7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 5 N 0.00 -7.31 -4.69 1.61 7.64 -1.26 -4.76 113.62 104.85 1wg7 n SER 5 Ca 0.00 1.27 -0.40 0.00 1.01 0.00 0.00 58.87 60.75 1wg7 n SER 5 Cb 0.00 -4.51 -0.05 0.00 -1.01 0.00 0.00 64.21 58.65 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wg7 s SER 6 N -7.00 6.92 -0.11 6.43 0.15 -1.26 -5.04 113.70 113.79 1wg7 s SER 6 Ca 0.00 1.12 -0.14 0.00 0.70 0.00 0.00 55.95 57.63 1wg7 s SER 6 Cb 0.00 -2.42 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1wg7 s SER 6 CO 0.00 -0.26 0.37 -0.83 1.20 0.00 0.00 173.24 173.72 1wg7 s GLY 7 N 1.02 -0.26 -0.41 9.45 0.00 -1.26 -4.62 107.32 111.24 1wg7 s GLY 7 Ca 0.36 0.89 0.10 0.00 0.00 0.00 0.00 44.72 46.07 1wg7 s GLY 7 CO 0.15 0.73 0.95 0.00 0.00 0.00 0.00 173.10 174.92 1wg7 n ALA 8 N 2.44 0.80 -1.51 3.20 0.00 -1.26 -5.06 120.51 119.12 1wg7 n ALA 8 Ca -0.15 -2.41 -0.30 0.00 0.00 0.00 0.00 53.44 50.58 1wg7 n ALA 8 Cb 0.57 -1.04 0.23 0.00 0.00 0.00 0.00 19.45 19.21 1wg7 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wg7 s ALA 9 N -1.13 1.37 -0.51 0.00 0.00 -1.26 -4.98 121.76 115.25 1wg7 s ALA 9 Ca 0.30 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 1wg7 s ALA 9 Cb 0.33 -2.78 0.06 0.00 0.00 0.00 0.00 23.12 20.73 1wg7 s ALA 9 CO -0.06 -3.16 0.63 -1.12 0.00 0.00 0.00 175.76 172.05 1wg7 s SER 10 N -4.49 6.22 0.56 0.00 0.01 -1.26 -5.03 113.70 109.71 1wg7 s SER 10 Ca 0.74 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 57.14 1wg7 s SER 10 Cb -0.05 -2.29 0.05 0.00 0.21 0.00 0.00 66.02 63.94 1wg7 s SER 10 CO 0.55 -0.91 0.43 -1.48 0.41 0.00 0.00 173.24 172.24 1wg7 s LEU 11 N 2.65 2.61 0.00 2.44 -0.00 -1.26 -5.01 118.68 120.11 1wg7 s LEU 11 Ca 0.15 -1.30 0.00 0.00 -0.00 0.00 0.00 54.13 52.98 1wg7 s LEU 11 Cb -0.19 -1.10 0.00 0.00 -0.00 0.00 0.00 46.19 44.90 1wg7 s LEU 11 CO 0.12 -1.19 0.00 0.61 -0.00 0.00 0.00 176.35 175.89 1wg7 n GLY 12 N -1.83 0.71 2.73 -3.48 0.00 -1.26 -2.88 105.19 99.19 1wg7 n GLY 12 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1wg7 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 13 N 0.00 -7.79 0.00 1.61 7.64 -1.26 -4.94 113.62 108.88 1wg7 n SER 13 Ca 0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1wg7 n SER 13 Cb 0.00 -5.22 0.00 0.00 -1.01 0.00 0.00 64.21 57.98 1wg7 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n GLN 14 N 0.25 0.00 -1.15 1.43 1.13 -1.26 -4.42 117.38 113.36 1wg7 n GLN 14 Ca 0.05 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.25 1wg7 n GLN 14 Cb 0.19 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.50 1wg7 n GLN 14 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1wg7 n LYS 15 N -0.16 -2.24 0.00 -1.09 4.81 -1.26 -4.89 118.16 113.33 1wg7 n LYS 15 Ca 0.00 1.62 0.00 0.00 -0.87 0.00 0.00 58.31 59.06 1wg7 n LYS 15 Cb 0.00 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.26 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 -3.54 2.23 3.34 3.14 0.00 -1.26 -4.92 105.19 104.18 1wg7 n GLY 16 Ca -0.02 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 1wg7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg7 n GLY 17 N 0.00 -1.08 3.82 -0.02 0.00 -1.26 -5.03 105.19 101.62 1wg7 n GLY 17 Ca 0.00 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1wg7 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg7 s ILE 18 N -3.41 1.22 0.00 -0.61 1.01 -1.26 -5.15 121.20 113.01 1wg7 s ILE 18 Ca 0.43 -1.85 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1wg7 s ILE 18 Cb -0.07 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1wg7 s ILE 18 CO 0.76 0.00 0.00 1.07 0.00 0.00 0.00 174.94 176.77 1wg7 n THR 19 N -1.45 0.00 0.00 2.92 5.66 -1.26 -4.92 114.28 115.23 1wg7 n THR 19 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 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 -0.57 0.00 -4.23 1.09 4.81 -1.26 -5.02 118.16 112.98 1wg7 n LYS 20 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 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 1.36 0.00 5.64 -3.43 -1.26 -2.50 115.29 113.10 1wg7 s HIS 21 Ca 0.00 -1.47 0.00 0.00 -0.80 0.00 0.00 55.06 52.79 1wg7 s HIS 21 Cb 0.00 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.54 1wg7 s HIS 21 CO 0.00 -0.71 0.00 0.41 -2.00 0.00 0.00 174.74 172.44 1wg7 n GLY 22 N -0.39 3.32 3.59 -1.38 0.00 -1.20 -4.98 105.19 104.17 1wg7 n GLY 22 Ca 0.04 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 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 3.23 0.37 1.61 0.52 -1.26 0.05 118.94 121.46 1wg7 s TRP 23 Ca 0.00 0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.47 1wg7 s TRP 23 Cb 0.00 -2.60 0.03 0.00 -1.15 0.00 0.00 33.47 29.75 1wg7 s TRP 23 CO 0.00 -0.27 0.24 1.28 0.02 0.00 0.00 176.95 178.22 1wg7 n LEU 24 N 5.35 0.00 -3.84 2.99 4.77 0.05 -4.71 117.00 121.61 1wg7 n LEU 24 Ca -0.09 -1.96 -0.30 0.00 -0.03 0.00 0.00 56.01 53.64 1wg7 n LEU 24 Cb 0.50 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1wg7 n LEU 24 CO 0.38 -0.46 -0.22 -0.31 -1.33 0.00 0.00 177.39 175.45 1wg7 s TYR 25 N -1.88 2.63 0.61 -1.77 2.02 0.17 -1.51 117.35 117.62 1wg7 s TYR 25 Ca 0.18 -2.79 -0.14 0.00 -0.37 0.00 0.00 57.07 53.95 1wg7 s TYR 25 Cb -0.01 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 1wg7 s TYR 25 CO 0.12 -0.77 1.05 0.21 -1.57 0.00 0.00 175.55 174.58 1wg7 s LYS 26 N 0.10 3.33 0.03 -0.62 2.20 -1.19 -2.27 119.74 121.32 1wg7 s LYS 26 Ca 0.17 1.09 -0.29 0.00 -0.36 0.00 0.00 55.97 56.58 1wg7 s LYS 26 Cb -0.25 -2.04 0.10 0.00 -1.51 0.00 0.00 37.83 34.13 1wg7 s LYS 26 CO -0.01 -0.80 1.12 0.20 -0.36 0.00 0.00 175.35 175.50 1wg7 s GLY 27 N -3.12 -0.34 -0.19 5.54 0.00 -0.09 -4.23 107.32 104.89 1wg7 s GLY 27 Ca 0.61 0.62 -0.01 0.00 0.00 0.00 0.00 44.72 45.94 1wg7 s GLY 27 CO 0.41 0.14 -0.14 0.54 0.00 0.00 0.00 173.10 174.05 1wg7 s ASN 28 N -2.83 3.56 0.21 1.64 4.22 -1.26 -0.42 114.94 120.07 1wg7 s ASN 28 Ca 0.12 -0.55 -0.30 0.00 -2.14 0.00 0.00 52.86 49.99 1wg7 s ASN 28 Cb 0.01 -1.57 -0.08 0.00 1.28 0.00 0.00 41.25 40.89 1wg7 s ASN 28 CO -0.02 -0.00 1.13 -0.32 -2.04 0.00 0.00 177.10 175.85 1wg7 s MET 29 N 1.32 4.58 0.17 3.55 1.75 -1.26 -4.22 119.30 125.18 1wg7 s MET 29 Ca 0.04 1.79 -0.17 0.00 -1.25 0.00 0.00 55.69 56.11 1wg7 s MET 29 Cb -0.14 -3.24 0.03 0.00 2.84 0.00 0.00 34.83 34.33 1wg7 s MET 29 CO -0.09 0.07 0.48 0.54 -0.65 0.00 0.00 175.02 175.38 1wg7 s ASN 30 N -0.29 -0.26 0.00 1.11 2.20 -1.26 -4.98 114.94 111.46 1wg7 s ASN 30 Ca 0.49 -0.43 0.00 0.00 -0.94 0.00 0.00 52.86 51.98 1wg7 s ASN 30 Cb -0.31 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.48 1wg7 s ASN 30 CO 0.38 -0.99 0.81 -1.54 -2.94 0.00 0.00 177.10 172.82 1wg7 n SER 31 N -0.31 0.00 -4.68 3.54 3.41 -1.26 -4.29 113.62 110.03 1wg7 n SER 31 Ca -0.12 0.81 -0.49 0.00 -0.26 0.00 0.00 58.87 58.82 1wg7 n SER 31 Cb 0.63 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1wg7 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wg7 n ALA 32 N -2.05 0.86 0.17 7.33 0.00 -1.26 -4.82 120.51 120.73 1wg7 n ALA 32 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.77 1wg7 n ALA 32 Cb 0.00 -2.48 0.40 0.00 0.00 0.00 0.00 19.45 17.37 1wg7 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wg7 h ILE 33 N 5.35 1.20 0.00 0.00 6.09 -1.99 -0.79 117.51 127.38 1wg7 h ILE 33 Ca -0.48 -0.96 -0.01 0.00 -1.37 0.00 0.00 64.86 62.04 1wg7 h ILE 33 Cb 1.27 1.45 -0.00 0.00 0.47 0.00 0.00 36.82 40.01 1wg7 h ILE 33 CO 0.95 0.28 -0.03 -1.28 -3.07 0.00 0.00 178.15 175.00 1wg7 h SER 34 N 0.08 0.00 0.26 2.19 0.87 -1.93 -1.54 113.55 113.48 1wg7 h SER 34 Ca 0.01 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.24 1wg7 h SER 34 Cb 0.49 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.39 1wg7 h SER 34 CO 0.03 0.03 -2.02 0.52 -0.53 0.00 0.00 176.83 174.87 1wg7 n VAL 35 N -3.32 1.54 0.17 2.23 0.31 -0.41 -3.51 118.33 115.34 1wg7 n VAL 35 Ca -0.02 -0.79 0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1wg7 n VAL 35 Cb 0.16 -0.93 0.44 0.00 -0.91 0.00 0.00 33.84 32.61 1wg7 n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wg7 n THR 36 N -3.00 1.21 -0.11 2.52 5.66 -0.56 -2.62 114.28 117.38 1wg7 n THR 36 Ca -0.26 0.61 -0.19 0.00 -3.05 0.00 0.00 64.05 61.16 1wg7 n THR 36 Cb 1.09 -1.59 -0.07 0.00 -1.55 0.00 0.00 70.33 68.21 1wg7 n THR 36 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1wg7 n MET 37 N -2.07 0.55 -4.16 1.09 2.81 -1.07 -4.46 117.12 109.82 1wg7 n MET 37 Ca -0.01 0.32 -0.40 0.00 -1.81 0.00 0.00 57.70 55.81 1wg7 n MET 37 Cb 0.06 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 1wg7 n MET 37 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1wg7 n ARG 38 N -4.39 -0.49 -3.49 0.03 5.12 -1.08 -1.22 116.66 111.16 1wg7 n ARG 38 Ca -0.33 0.05 -0.17 0.00 -1.93 0.00 0.00 57.85 55.47 1wg7 n ARG 38 Cb 0.67 -2.77 0.01 0.00 -1.16 0.00 0.00 32.46 29.21 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wg7 n SER 39 N -2.33 -6.10 -3.63 0.55 7.64 -1.26 -4.51 113.62 103.98 1wg7 n SER 39 Ca -0.19 -0.64 -0.33 0.00 1.01 0.00 0.00 58.87 58.72 1wg7 n SER 39 Cb 0.60 -3.48 -0.12 0.00 -1.01 0.00 0.00 64.21 60.19 1wg7 n SER 39 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wg7 n PHE 40 N -2.69 0.45 -3.16 1.43 3.01 -0.35 -4.86 117.46 111.30 1wg7 n PHE 40 Ca -0.14 0.31 -0.24 0.00 1.01 0.00 0.00 57.45 58.38 1wg7 n PHE 40 Cb 0.60 -1.92 -0.00 0.00 -0.01 0.00 0.00 39.48 38.14 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1wg7 s LYS 41 N 7.25 3.38 0.16 -1.08 3.01 -1.26 -5.02 119.74 126.18 1wg7 s LYS 41 Ca 1.10 -0.29 0.09 0.00 -1.01 0.00 0.00 55.97 55.86 1wg7 s LYS 41 Cb -1.02 -2.59 -0.04 0.00 -1.01 0.00 0.00 37.83 33.17 1wg7 s LYS 41 CO 0.40 -0.02 -0.12 -0.98 0.51 0.00 0.00 175.35 175.14 1wg7 s ARG 42 N -4.45 1.98 0.09 1.68 3.03 -1.26 -3.15 118.95 116.87 1wg7 s ARG 42 Ca 0.43 -1.24 -0.11 0.00 2.03 0.00 0.00 55.73 56.84 1wg7 s ARG 42 Cb -0.10 -2.14 0.01 0.00 -1.03 0.00 0.00 34.95 31.69 1wg7 s ARG 42 CO 0.38 0.45 0.24 1.03 -1.13 0.00 0.00 175.30 176.27 1wg7 s ARG 43 N -2.62 0.87 -0.64 3.89 3.00 -0.57 -4.95 118.95 117.93 1wg7 s ARG 43 Ca 0.23 -0.84 -0.26 0.00 0.00 0.00 0.00 55.73 54.87 1wg7 s ARG 43 Cb -0.09 0.36 0.04 0.00 0.00 0.00 0.00 34.95 35.26 1wg7 s ARG 43 CO 0.14 -0.29 1.12 0.12 0.00 0.00 0.00 175.30 176.39 1wg7 s PHE 44 N -3.60 2.56 -0.66 -0.53 5.36 -0.91 -0.77 117.98 119.42 1wg7 s PHE 44 Ca 0.03 -0.03 -0.26 0.00 -0.96 0.00 0.00 56.93 55.70 1wg7 s PHE 44 Cb 0.03 -4.41 0.04 0.00 -0.34 0.00 0.00 43.02 38.34 1wg7 s PHE 44 CO -0.10 -1.71 1.17 -0.06 -1.46 0.00 0.00 175.22 173.07 1wg7 s PHE 45 N 4.80 2.49 -0.22 10.12 0.40 0.11 -1.87 117.98 133.80 1wg7 s PHE 45 Ca 0.33 0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.63 1wg7 s PHE 45 Cb -0.11 -4.49 -0.02 0.00 0.51 0.00 0.00 43.02 38.91 1wg7 s PHE 45 CO 0.17 -1.80 0.01 -1.58 0.70 0.00 0.00 175.22 172.73 1wg7 s HIS 46 N 5.09 3.04 -0.12 0.36 5.65 -0.05 -3.22 115.29 126.04 1wg7 s HIS 46 Ca 0.35 -0.54 -0.20 0.00 0.25 0.00 0.00 55.06 54.92 1wg7 s HIS 46 Cb -0.10 -2.13 -0.04 0.00 -1.18 0.00 0.00 32.58 29.13 1wg7 s HIS 46 CO 0.18 -0.33 0.56 -1.17 -0.65 0.00 0.00 174.74 173.32 1wg7 s LEU 47 N 1.27 4.27 0.04 8.88 2.96 -1.04 -0.49 118.68 134.56 1wg7 s LEU 47 Ca 0.04 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1wg7 s LEU 47 Cb -0.15 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.69 1wg7 s LEU 47 CO 0.01 -0.07 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.36 1wg7 s ILE 48 N 0.87 0.72 0.01 6.68 2.07 -0.49 -4.56 121.20 126.50 1wg7 s ILE 48 Ca 0.29 -1.03 -0.20 0.00 -1.41 0.00 0.00 60.65 58.30 1wg7 s ILE 48 Cb -0.16 -0.73 -0.06 0.00 0.13 0.00 0.00 42.46 41.64 1wg7 s ILE 48 CO 0.12 -0.25 0.58 -1.58 -1.91 0.00 0.00 174.94 171.91 1wg7 s GLN 49 N -1.41 4.28 0.04 3.50 0.74 -1.26 -0.61 119.66 124.94 1wg7 s GLN 49 Ca -0.06 0.71 -0.01 0.00 0.05 0.00 0.00 55.36 56.06 1wg7 s GLN 49 Cb -0.09 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.71 1wg7 s GLN 49 CO 0.01 0.42 0.02 1.28 -0.55 0.00 0.00 175.29 176.47 1wg7 n LEU 50 N 2.53 0.00 -0.16 3.68 7.99 0.52 -4.67 117.00 126.89 1wg7 n LEU 50 Ca -0.08 -0.02 -0.01 0.00 -0.01 0.00 0.00 56.01 55.89 1wg7 n LEU 50 Cb 0.51 -0.03 0.01 0.00 -0.11 0.00 0.00 43.42 43.80 1wg7 n LEU 50 CO 0.43 -1.45 0.24 0.61 -1.51 0.00 0.00 177.39 175.71 1wg7 n GLY 51 N -0.13 -0.88 0.00 -0.72 0.00 -1.26 -4.08 105.19 98.12 1wg7 n GLY 51 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wg7 n ASP 52 N -4.60 0.00 0.00 1.61 -0.08 -1.26 -5.08 116.55 107.14 1wg7 n ASP 52 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1wg7 n ASP 52 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg7 n GLY 53 N 0.00 -1.77 3.61 0.27 0.00 -1.26 -4.80 105.19 101.24 1wg7 n GLY 53 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 1wg7 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 54 N -4.00 2.25 0.42 1.61 1.04 -1.26 -4.03 113.70 109.73 1wg7 s SER 54 Ca 0.00 1.86 0.05 0.00 0.48 0.00 0.00 55.95 58.34 1wg7 s SER 54 Cb 0.00 -2.43 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 1wg7 s SER 54 CO 0.00 -3.47 0.02 -0.31 0.98 0.00 0.00 173.24 170.46 1wg7 s TYR 55 N -2.61 2.31 -0.29 5.02 1.51 -1.26 0.19 117.35 122.22 1wg7 s TYR 55 Ca 0.67 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.80 1wg7 s TYR 55 Cb -0.23 -1.68 0.13 0.00 -0.11 0.00 0.00 41.96 40.07 1wg7 s TYR 55 CO 0.60 0.34 0.88 -0.80 -1.11 0.00 0.00 175.55 175.47 1wg7 s ASN 56 N -3.72 -0.68 -0.53 2.29 0.01 0.22 -4.20 114.94 108.32 1wg7 s ASN 56 Ca 0.28 1.04 -0.21 0.00 -0.71 0.00 0.00 52.86 53.26 1wg7 s ASN 56 Cb 0.08 1.46 0.05 0.00 0.41 0.00 0.00 41.25 43.26 1wg7 s ASN 56 CO 0.14 -0.16 0.75 -0.22 -1.51 0.00 0.00 177.10 176.11 1wg7 s LEU 57 N 1.81 4.66 -0.21 0.60 1.98 -1.20 -1.40 118.68 124.92 1wg7 s LEU 57 Ca -0.08 -0.74 -0.10 0.00 -2.89 0.00 0.00 54.13 50.32 1wg7 s LEU 57 Cb -0.05 -2.57 -0.05 0.00 0.66 0.00 0.00 46.19 44.18 1wg7 s LEU 57 CO -0.17 -1.04 0.13 0.20 -1.89 0.00 0.00 176.35 173.58 1wg7 s ASN 58 N 2.82 6.13 -0.17 3.68 0.01 0.35 -1.39 114.94 126.38 1wg7 s ASN 58 Ca 0.20 0.18 -0.05 0.00 -0.71 0.00 0.00 52.86 52.49 1wg7 s ASN 58 Cb -0.17 -2.08 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1wg7 s ASN 58 CO 0.14 0.15 -0.01 0.72 -1.51 0.00 0.00 177.10 176.58 1wg7 s PHE 59 N 0.57 3.05 0.30 2.20 -0.12 -1.08 -0.87 117.98 122.03 1wg7 s PHE 59 Ca 0.08 -0.32 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 1wg7 s PHE 59 Cb -0.12 -2.01 -0.03 0.00 -0.63 0.00 0.00 43.02 40.23 1wg7 s PHE 59 CO 0.00 -0.09 0.25 0.71 -0.05 0.00 0.00 175.22 176.04 1wg7 s TYR 60 N 0.59 2.98 0.54 3.49 1.51 -0.78 -1.53 117.35 124.14 1wg7 s TYR 60 Ca -0.01 -0.22 0.26 0.00 -1.01 0.00 0.00 57.07 56.08 1wg7 s TYR 60 Cb -0.14 -1.63 1.60 0.00 -0.11 0.00 0.00 41.96 41.69 1wg7 s TYR 60 CO 0.02 0.33 2.19 1.57 -1.11 0.00 0.00 175.55 178.55 1wg7 h LYS 61 N 1.36 0.00 0.00 -0.62 -0.00 -1.91 -2.42 116.57 112.98 1wg7 h LYS 61 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 1wg7 h LYS 61 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 1wg7 h LYS 61 CO 0.59 0.03 0.00 -0.25 -0.00 0.00 0.00 179.45 179.83 1wg7 n ASP 62 N -3.98 0.00 -0.03 7.07 8.00 -1.26 -4.68 116.55 121.66 1wg7 n ASP 62 Ca -0.03 -0.36 -0.11 0.00 0.71 0.00 0.00 54.79 55.01 1wg7 n ASP 62 Cb 0.12 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wg7 h GLU 63 N 0.00 -0.05 -5.24 -1.24 5.08 -1.93 -3.40 114.58 107.80 1wg7 h GLU 63 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1wg7 h GLU 63 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1wg7 h GLU 63 CO 0.00 0.60 1.71 1.63 -1.00 0.00 0.00 179.01 181.94 1wg7 n LYS 64 N -4.73 0.40 0.00 2.33 5.02 -1.26 -4.86 118.16 115.06 1wg7 n LYS 64 Ca -0.07 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1wg7 n LYS 64 Cb 0.32 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 7.68 0.00 0.00 -0.18 -5.35 -1.26 -4.70 119.36 115.55 1wg7 n ILE 65 Ca 0.55 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.03 1wg7 n ILE 65 Cb 0.23 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 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 -2.90 7.28 2.88 -1.26 -4.91 113.62 114.71 1wg7 n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg7 n SER 66 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.58 -2.52 -1.46 5.02 -1.26 -4.92 118.16 112.43 1wg7 n LYS 67 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1wg7 n LYS 67 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 -2.14 4.35 0.29 1.97 2.02 -1.26 -5.00 118.70 118.92 1wg7 s GLU 68 Ca 0.00 1.58 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1wg7 s GLU 68 Cb 0.00 -3.59 -0.09 0.00 0.10 0.00 0.00 34.13 30.55 1wg7 s GLU 68 CO 0.00 -0.46 1.07 -1.25 0.02 0.00 0.00 175.26 174.64 1wg7 s PRO 69 N 2.40 4.60 0.48 0.39 0.04 -1.26 -4.90 135.00 136.74 1wg7 s PRO 69 Ca 0.53 1.73 0.29 0.00 0.04 0.00 0.00 61.00 63.59 1wg7 s PRO 69 Cb -0.22 -3.11 1.36 0.00 0.04 0.00 0.00 34.50 32.56 1wg7 s PRO 69 CO 0.19 0.20 1.78 0.87 0.04 0.00 0.00 177.00 180.08 1wg7 h LYS 70 N 3.68 0.16 0.00 4.56 1.79 -1.62 -3.45 116.57 121.69 1wg7 h LYS 70 Ca -0.47 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1wg7 h LYS 70 Cb 1.21 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1wg7 h LYS 70 CO 0.66 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 179.55 1wg7 n GLY 71 N -1.63 0.85 3.49 3.86 0.00 -1.17 -5.04 105.19 105.55 1wg7 n GLY 71 Ca 0.26 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 1wg7 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 72 N -0.88 -0.48 -0.23 1.61 0.15 -1.26 -2.64 113.70 109.98 1wg7 s SER 72 Ca 0.00 -0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.49 1wg7 s SER 72 Cb 0.00 0.61 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 1wg7 s SER 72 CO 0.00 -1.03 -0.11 -0.63 1.20 0.00 0.00 173.24 172.67 1wg7 s ILE 73 N -3.79 2.55 -1.27 6.45 1.01 -0.48 -4.96 121.20 120.70 1wg7 s ILE 73 Ca 0.03 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 1wg7 s ILE 73 Cb -0.02 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.24 1wg7 s ILE 73 CO -0.09 0.28 1.77 -0.36 0.00 0.00 0.00 174.94 176.55 1wg7 s PHE 74 N 1.29 2.60 0.65 3.97 0.08 -1.26 -3.27 117.98 122.03 1wg7 s PHE 74 Ca 0.01 -1.17 0.26 0.00 0.12 0.00 0.00 56.93 56.15 1wg7 s PHE 74 Cb -0.16 -4.60 1.40 0.00 -0.57 0.00 0.00 43.02 39.09 1wg7 s PHE 74 CO -0.07 -1.69 1.80 -0.07 -0.10 0.00 0.00 175.22 175.09 1wg7 h LEU 75 N 13.67 0.00 -2.15 -0.37 -0.00 -1.92 1.26 115.31 125.80 1wg7 h LEU 75 Ca 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.26 1wg7 h LEU 75 Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.55 1wg7 h LEU 75 CO 1.41 0.00 -0.07 -0.78 -0.00 0.00 0.00 178.44 179.00 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 1.82 -1.85 -2.89 116.42 113.07 1wg7 h ASP 76 Ca 0.07 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.47 1wg7 h ASP 76 Cb 1.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.96 1wg7 h ASP 76 CO -0.00 0.07 -1.91 -1.20 -1.61 0.00 0.00 179.24 174.59 1wg7 n SER 77 N -3.81 2.15 -4.60 2.28 7.64 0.41 -4.99 113.62 112.71 1wg7 n SER 77 Ca -0.02 -0.03 -0.62 0.00 1.01 0.00 0.00 58.87 59.20 1wg7 n SER 77 Cb 0.16 0.41 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 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 3.84 0.34 0.00 0.00 0.00 0.21 -3.47 114.93 115.84 1wg7 h MET 79 Ca -0.48 -0.58 0.00 0.00 0.00 0.00 0.00 59.70 58.64 1wg7 h MET 79 Cb 1.40 0.22 0.00 0.00 0.00 0.00 0.00 31.60 33.22 1wg7 h MET 79 CO 0.78 1.23 0.00 0.41 0.00 0.00 0.00 176.91 179.33 1wg7 n GLY 80 N 1.74 1.13 3.55 8.32 0.00 -1.16 -4.97 105.19 113.79 1wg7 n GLY 80 Ca -0.19 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 4.66 0.39 1.61 1.01 -1.26 -1.20 120.40 123.60 1wg7 s VAL 81 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1wg7 s VAL 81 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1wg7 s VAL 81 CO 0.00 0.38 0.53 0.68 0.00 0.00 0.00 175.10 176.69 1wg7 s VAL 82 N 1.12 3.35 -0.02 2.92 -7.23 0.43 -4.95 120.40 116.03 1wg7 s VAL 82 Ca 0.05 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1wg7 s VAL 82 Cb -0.14 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1wg7 s VAL 82 CO 0.04 -0.05 0.14 -1.10 -0.31 0.00 0.00 175.10 173.81 1wg7 s GLN 83 N -4.29 3.30 0.48 4.82 -0.21 -1.26 -2.16 119.66 120.35 1wg7 s GLN 83 Ca 0.52 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.55 1wg7 s GLN 83 Cb -0.10 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.88 1wg7 s GLN 83 CO 0.32 0.68 0.03 1.21 -2.12 0.00 0.00 175.29 175.41 1wg7 s ASN 84 N -1.77 3.82 0.00 5.90 2.47 0.39 -4.76 114.94 120.98 1wg7 s ASN 84 Ca 0.24 -1.65 0.00 0.00 0.42 0.00 0.00 52.86 51.87 1wg7 s ASN 84 Cb -0.12 0.50 0.00 0.00 -1.45 0.00 0.00 41.25 40.18 1wg7 s ASN 84 CO 0.15 -0.86 0.00 0.59 -3.72 0.00 0.00 177.10 173.26 1wg7 n ASN 85 N -1.27 0.00 -0.08 -4.21 4.13 -1.14 -4.41 115.26 108.28 1wg7 n ASN 85 Ca -0.16 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.01 1wg7 n ASN 85 Cb 0.67 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.88 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1wg7 h LYS 86 N 0.00 -0.30 0.00 3.52 1.79 -1.95 -3.19 116.57 116.44 1wg7 h LYS 86 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1wg7 h LYS 86 Cb 0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1wg7 h LYS 86 CO 0.00 -0.20 0.00 0.28 -1.08 0.00 0.00 179.45 178.45 1wg7 n VAL 87 N -5.41 0.00 -4.28 0.50 0.31 -1.26 -4.93 118.33 103.26 1wg7 n VAL 87 Ca -0.01 0.93 -0.19 0.00 -0.01 0.00 0.00 64.34 65.06 1wg7 n VAL 87 Cb 0.34 -1.84 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1wg7 s ARG 88 N -1.76 1.12 0.09 5.55 3.52 -1.21 -5.06 118.95 121.21 1wg7 s ARG 88 Ca 0.00 -1.34 -0.33 0.00 -0.13 0.00 0.00 55.73 53.93 1wg7 s ARG 88 Cb 0.00 -1.00 -0.14 0.00 -1.56 0.00 0.00 34.95 32.24 1wg7 s ARG 88 CO 0.00 0.19 1.60 0.00 -0.81 0.00 0.00 175.30 176.27 1wg7 h ARG 89 N 3.26 -0.80 -3.55 5.12 2.47 -1.88 -3.02 114.38 115.97 1wg7 h ARG 89 Ca -0.40 0.05 -0.79 0.00 -1.26 0.00 0.00 59.98 57.59 1wg7 h ARG 89 Cb 1.20 0.18 -0.29 0.00 -1.65 0.00 0.00 29.97 29.41 1wg7 h ARG 89 CO 0.53 -0.53 0.34 -0.06 0.56 0.00 0.00 179.97 180.82 1wg7 s PHE 90 N -5.97 4.18 -0.05 3.04 0.08 -1.26 -4.47 117.98 113.53 1wg7 s PHE 90 Ca -0.17 -2.68 -0.05 0.00 0.12 0.00 0.00 56.93 54.15 1wg7 s PHE 90 Cb 0.05 -3.75 0.01 0.00 -0.57 0.00 0.00 43.02 38.76 1wg7 s PHE 90 CO 0.62 -0.92 0.14 0.00 -0.10 0.00 0.00 175.22 174.96 1wg7 s ALA 91 N -1.15 -0.34 0.01 5.36 0.00 -1.24 -2.42 121.76 121.98 1wg7 s ALA 91 Ca 0.29 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1wg7 s ALA 91 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1wg7 s ALA 91 CO -0.09 -0.07 -0.10 -0.59 0.00 0.00 0.00 175.76 174.92 1wg7 s PHE 92 N 0.10 0.84 -0.08 0.00 -0.71 0.11 0.15 117.98 118.40 1wg7 s PHE 92 Ca -0.00 -0.25 -0.05 0.00 -1.04 0.00 0.00 56.93 55.59 1wg7 s PHE 92 Cb -0.01 -0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1wg7 s PHE 92 CO 0.00 -0.01 0.16 -2.00 -1.34 0.00 0.00 175.22 172.03 1wg7 s GLU 93 N -0.65 3.44 -0.48 1.99 2.12 -0.92 0.35 118.70 124.56 1wg7 s GLU 93 Ca 0.01 -0.20 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 1wg7 s GLU 93 Cb -0.05 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.25 1wg7 s GLU 93 CO 0.00 0.74 0.45 -0.51 -0.54 0.00 0.00 175.26 175.40 1wg7 s LEU 94 N -1.39 5.43 -0.69 2.70 2.01 0.32 -0.42 118.68 126.63 1wg7 s LEU 94 Ca 0.20 -1.20 -0.27 0.00 0.01 0.00 0.00 54.13 52.87 1wg7 s LEU 94 Cb -0.12 -2.26 0.01 0.00 0.01 0.00 0.00 46.19 43.83 1wg7 s LEU 94 CO 0.10 -0.71 1.51 -0.54 1.01 0.00 0.00 176.35 177.72 1wg7 s LYS 95 N 1.91 2.97 0.57 1.70 -0.14 -0.34 -2.21 119.74 124.20 1wg7 s LYS 95 Ca 0.07 0.10 -0.04 0.00 -1.36 0.00 0.00 55.97 54.75 1wg7 s LYS 95 Cb -0.23 -4.26 0.02 0.00 -1.68 0.00 0.00 37.83 31.68 1wg7 s LYS 95 CO 0.08 -2.38 0.85 -1.64 -0.76 0.00 0.00 175.35 171.50 1wg7 s MET 96 N 6.25 2.76 -0.02 1.68 -1.94 -0.83 0.20 119.30 127.41 1wg7 s MET 96 Ca 0.48 -0.27 0.19 0.00 -1.71 0.00 0.00 55.69 54.38 1wg7 s MET 96 Cb -0.10 -2.35 -0.27 0.00 2.01 0.00 0.00 34.83 34.12 1wg7 s MET 96 CO 0.17 -0.71 0.55 0.94 -0.01 0.00 0.00 175.02 175.97 1wg7 n GLN 97 N -2.50 0.66 -0.98 2.03 7.27 -1.18 -4.41 117.38 118.26 1wg7 n GLN 97 Ca 0.05 -0.12 -0.15 0.00 0.07 0.00 0.00 57.00 56.85 1wg7 n GLN 97 Cb 0.58 -1.44 -0.04 0.00 2.41 0.00 0.00 30.24 31.76 1wg7 n GLN 97 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1wg7 n ASP 98 N -1.93 6.00 -3.13 1.69 9.92 -1.26 -4.83 116.55 123.00 1wg7 n ASP 98 Ca -0.01 -2.85 -0.07 0.00 -0.53 0.00 0.00 54.79 51.33 1wg7 n ASP 98 Cb 0.43 -1.19 0.01 0.00 -0.64 0.00 0.00 41.12 39.73 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1wg7 n LYS 99 N 1.15 -1.30 0.00 -1.24 5.02 -1.26 -4.97 118.16 115.55 1wg7 n LYS 99 Ca 0.31 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.96 1wg7 n LYS 99 Cb 0.62 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wg7 n SER 100 N 0.84 0.00 -3.64 4.39 3.41 -1.26 -5.08 113.62 112.28 1wg7 n SER 100 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 1wg7 n SER 100 Cb 0.43 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wg7 s SER 101 N 0.00 -0.72 0.01 4.04 1.04 -1.26 -1.98 113.70 114.84 1wg7 s SER 101 Ca 0.00 1.24 -0.12 0.00 0.48 0.00 0.00 55.95 57.56 1wg7 s SER 101 Cb 0.00 1.28 -0.05 0.00 0.10 0.00 0.00 66.02 67.35 1wg7 s SER 101 CO 0.00 -0.20 0.36 -0.31 0.98 0.00 0.00 173.24 174.07 1wg7 s TYR 102 N 0.98 3.66 -0.62 5.02 2.02 -0.94 -4.50 117.35 122.97 1wg7 s TYR 102 Ca -0.05 0.84 -0.14 0.00 -0.37 0.00 0.00 57.07 57.36 1wg7 s TYR 102 Cb -0.05 -2.18 0.16 0.00 -0.40 0.00 0.00 41.96 39.48 1wg7 s TYR 102 CO -0.11 0.62 0.55 -1.17 -1.57 0.00 0.00 175.55 173.87 1wg7 s LEU 103 N -1.37 6.24 0.30 -1.29 2.96 0.45 0.12 118.68 126.08 1wg7 s LEU 103 Ca 0.26 -2.13 -0.07 0.00 -0.22 0.00 0.00 54.13 51.97 1wg7 s LEU 103 Cb -0.15 -2.16 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 1wg7 s LEU 103 CO 0.14 -0.73 0.59 -0.76 -1.32 0.00 0.00 176.35 174.27 1wg7 s LEU 104 N 1.06 4.03 -0.28 -0.68 1.43 0.16 -0.91 118.68 123.48 1wg7 s LEU 104 Ca 0.08 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 1wg7 s LEU 104 Cb -0.23 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.46 1wg7 s LEU 104 CO -0.01 -0.21 0.80 0.00 0.23 0.00 0.00 176.35 177.15 1wg7 s ALA 105 N -2.09 -2.04 0.51 4.21 0.00 -0.96 0.07 121.76 121.45 1wg7 s ALA 105 Ca 0.46 2.34 0.09 0.00 0.00 0.00 0.00 51.96 54.84 1wg7 s ALA 105 Cb -0.11 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.51 1wg7 s ALA 105 CO 0.29 -0.39 0.65 0.00 0.00 0.00 0.00 175.76 176.31 1wg7 s ALA 106 N 1.57 4.57 0.02 0.00 0.00 -1.02 0.45 121.76 127.35 1wg7 s ALA 106 Ca -0.09 -1.89 -0.05 0.00 0.00 0.00 0.00 51.96 49.92 1wg7 s ALA 106 Cb -0.05 -1.39 -0.29 0.00 0.00 0.00 0.00 23.12 21.39 1wg7 s ALA 106 CO -0.18 -0.59 0.92 -0.44 0.00 0.00 0.00 175.76 175.47 1wg7 h ASP 107 N 0.45 0.45 -2.34 0.00 5.19 -1.87 -3.45 116.42 114.86 1wg7 h ASP 107 Ca -0.35 -0.58 -0.58 0.00 -0.62 0.00 0.00 57.03 54.91 1wg7 h ASP 107 Cb 1.29 -0.15 -0.14 0.00 0.18 0.00 0.00 39.33 40.51 1wg7 h ASP 107 CO 0.45 1.48 -0.71 -0.94 -3.12 0.00 0.00 179.24 176.40 1wg7 s SER 108 N -7.09 3.39 0.26 6.45 1.04 -1.26 -5.01 113.70 111.48 1wg7 s SER 108 Ca -0.08 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.20 1wg7 s SER 108 Cb 0.07 -0.28 0.45 0.00 0.10 0.00 0.00 66.02 66.35 1wg7 s SER 108 CO 0.87 -0.15 1.84 1.05 0.98 0.00 0.00 173.24 177.82 1wg7 h GLU 109 N 2.20 0.93 0.00 4.02 9.09 -1.94 -1.29 114.58 127.58 1wg7 h GLU 109 Ca -0.41 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1wg7 h GLU 109 Cb 1.25 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1wg7 h GLU 109 CO 0.66 0.61 0.00 1.55 0.05 0.00 0.00 179.01 181.88 1wg7 n VAL 110 N -4.64 0.00 -0.45 -1.06 3.14 -1.26 0.30 118.33 114.36 1wg7 n VAL 110 Ca 0.16 1.50 0.41 0.00 -2.96 0.00 0.00 64.34 63.44 1wg7 n VAL 110 Cb 0.28 -2.49 0.68 0.00 -1.06 0.00 0.00 33.84 31.25 1wg7 n VAL 110 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1wg7 h GLU 111 N 0.00 0.00 0.25 1.45 5.08 -1.94 2.26 114.58 121.68 1wg7 h GLU 111 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1wg7 h GLU 111 Cb 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 1wg7 h GLU 111 CO 0.00 0.00 -1.46 1.98 -1.00 0.00 0.00 179.01 178.53 1wg7 h MET 112 N 0.00 0.53 -0.00 2.33 4.05 -0.59 -3.24 114.93 118.00 1wg7 h MET 112 Ca 0.70 -0.91 -0.25 0.00 -0.28 0.00 0.00 59.70 58.97 1wg7 h MET 112 Cb 3.18 0.34 0.01 0.00 -0.80 0.00 0.00 31.60 34.33 1wg7 h MET 112 CO -0.01 1.43 -0.99 1.05 0.23 0.00 0.00 176.91 178.63 1wg7 h GLU 113 N 0.12 0.56 -0.02 0.39 4.11 0.79 -2.65 114.58 117.88 1wg7 h GLU 113 Ca -0.26 -0.60 0.01 0.00 0.07 0.00 0.00 59.36 58.59 1wg7 h GLU 113 Cb 2.14 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.53 1wg7 h GLU 113 CO 0.27 1.22 -0.34 0.93 0.07 0.00 0.00 179.01 181.16 1wg7 h GLU 114 N 0.32 -0.39 -0.08 1.06 5.08 0.87 0.20 114.58 121.63 1wg7 h GLU 114 Ca -0.10 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1wg7 h GLU 114 Cb 1.63 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.93 1wg7 h GLU 114 CO 0.18 -0.26 -0.13 -1.49 -1.00 0.00 0.00 179.01 176.31 1wg7 h TRP 115 N -0.41 -0.34 -0.85 4.33 4.06 -1.67 0.40 115.95 121.47 1wg7 h TRP 115 Ca 0.01 0.02 0.25 0.00 2.06 0.00 0.00 58.89 61.22 1wg7 h TRP 115 Cb 0.45 0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 1wg7 h TRP 115 CO -0.48 -0.20 0.91 0.82 -3.56 0.00 0.00 178.44 175.94 1wg7 h ILE 116 N -0.19 0.16 0.11 1.49 2.04 -1.01 1.06 117.51 121.17 1wg7 h ILE 116 Ca 0.07 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.57 1wg7 h ILE 116 Cb 0.29 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1wg7 h ILE 116 CO -0.19 0.00 -1.99 0.41 0.00 0.00 0.00 178.15 176.38 1wg7 n THR 117 N -3.50 1.75 0.35 -0.27 -1.04 0.10 -3.07 114.28 108.60 1wg7 n THR 117 Ca 0.18 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.05 61.44 1wg7 n THR 117 Cb 1.19 -1.73 -0.07 0.00 -1.82 0.00 0.00 70.33 67.90 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 0.00 0.00 -0.96 12.58 5.03 0.45 1.55 117.51 136.15 1wg7 h ILE 118 Ca -0.43 -0.10 0.15 0.00 -0.12 0.00 0.00 64.86 64.36 1wg7 h ILE 118 Cb 1.99 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 35.69 1wg7 h ILE 118 CO 0.06 0.00 0.61 -0.07 -0.68 0.00 0.00 178.15 178.07 1wg7 h LEU 119 N -1.00 0.77 -0.68 1.44 3.38 -0.39 0.42 115.31 119.24 1wg7 h LEU 119 Ca -0.09 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1wg7 h LEU 119 Cb 0.69 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wg7 h LEU 119 CO 0.15 0.36 -0.50 0.78 0.09 0.00 0.00 178.44 179.31 1wg7 h ASN 120 N 0.79 0.43 0.43 -0.43 2.35 -1.44 -1.38 115.58 116.34 1wg7 h ASN 120 Ca 0.50 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 1wg7 h ASN 120 Cb 0.73 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1wg7 h ASN 120 CO -0.27 0.86 -0.28 0.11 -1.65 0.00 0.00 177.43 176.20 1wg7 h LYS 121 N 0.31 -0.65 -0.12 0.81 1.57 0.67 1.83 116.57 120.99 1wg7 h LYS 121 Ca 0.01 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1wg7 h LYS 121 Cb 1.00 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1wg7 h LYS 121 CO 0.09 -0.43 0.12 0.82 -0.57 0.00 0.00 179.45 179.47 1wg7 h ILE 122 N -0.68 0.56 0.25 1.86 5.03 -1.30 1.49 117.51 124.72 1wg7 h ILE 122 Ca -0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.67 1wg7 h ILE 122 Cb 0.55 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 1wg7 h ILE 122 CO 0.05 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.33 1wg7 h LEU 123 N 0.00 -0.29 -0.64 1.44 4.07 -0.36 0.51 115.31 120.04 1wg7 h LEU 123 Ca 0.06 -0.19 -0.09 0.00 0.08 0.00 0.00 57.88 57.73 1wg7 h LEU 123 Cb 0.30 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1wg7 h LEU 123 CO -0.00 0.22 0.03 1.56 -1.08 0.00 0.00 178.44 179.17 1wg7 h GLN 124 N -0.97 1.10 -0.00 1.13 1.08 0.35 -2.23 115.11 115.57 1wg7 h GLN 124 Ca -0.03 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 56.76 1wg7 h GLN 124 Cb 0.46 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1wg7 h GLN 124 CO 0.06 1.05 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.59 1wg7 h LEU 125 N 1.01 0.00 -1.20 1.46 4.07 0.20 -1.92 115.31 118.92 1wg7 h LEU 125 Ca 0.18 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.10 1wg7 h LEU 125 Cb 0.53 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1wg7 h LEU 125 CO 0.03 0.33 0.07 0.78 -1.08 0.00 0.00 178.44 178.56 1wg7 h ASN 126 N 0.00 0.58 -0.12 -0.43 2.35 -0.28 0.14 115.58 117.83 1wg7 h ASN 126 Ca -0.00 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1wg7 h ASN 126 Cb 0.58 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1wg7 h ASN 126 CO 0.04 0.60 -0.07 0.15 -1.65 0.00 0.00 177.43 176.50 1wg7 h PHE 127 N 0.60 0.31 0.00 1.19 3.04 -1.09 -2.77 116.94 118.21 1wg7 h PHE 127 Ca 0.13 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1wg7 h PHE 127 Cb 0.28 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.71 1wg7 h PHE 127 CO 0.01 0.63 -0.16 0.93 -2.02 0.00 0.00 178.31 177.70 1wg7 h GLU 128 N -0.10 0.00 0.00 1.11 5.08 -1.19 -1.87 114.58 117.62 1wg7 h GLU 128 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1wg7 h GLU 128 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1wg7 h GLU 128 CO 0.02 0.16 -0.46 0.00 -1.00 0.00 0.00 179.01 177.73 1wg7 h ALA 129 N 1.84 1.20 -0.04 3.43 0.00 -0.52 -0.31 119.26 124.86 1wg7 h ALA 129 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1wg7 h ALA 129 Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wg7 h ALA 129 CO 0.02 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.79 1wg7 h ALA 130 N 1.54 0.06 0.00 0.00 0.00 -1.07 -1.28 119.26 118.51 1wg7 h ALA 130 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1wg7 h ALA 130 Cb 0.84 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wg7 h ALA 130 CO 0.06 -0.12 -0.15 0.52 0.00 0.00 0.00 179.25 179.56 1wg7 h MET 131 N -0.41 0.00 0.05 0.00 2.07 -1.39 0.34 114.93 115.60 1wg7 h MET 131 Ca 0.00 0.00 -0.27 0.00 -2.07 0.00 0.00 59.70 57.37 1wg7 h MET 131 Cb 0.62 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.36 1wg7 h MET 131 CO 0.01 0.15 -1.09 1.96 1.07 0.00 0.00 176.91 179.01 1wg7 h GLN 132 N 0.00 0.55 0.14 1.72 4.20 -0.94 -3.15 115.11 117.63 1wg7 h GLN 132 Ca -0.00 -0.66 -0.24 0.00 0.06 0.00 0.00 58.65 57.81 1wg7 h GLN 132 Cb 0.45 0.20 0.03 0.00 0.30 0.00 0.00 27.48 28.46 1wg7 h GLN 132 CO 0.02 1.27 -1.02 0.93 -0.67 0.00 0.00 178.83 179.35 1wg7 h GLU 133 N 0.28 0.45 -0.76 1.46 5.08 -0.78 -3.30 114.58 117.02 1wg7 h GLU 133 Ca -0.13 -0.67 0.17 0.00 -1.00 0.00 0.00 59.36 57.73 1wg7 h GLU 133 Cb 1.75 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 31.11 1wg7 h GLU 133 CO 0.20 1.30 0.06 -0.22 -1.00 0.00 0.00 179.01 179.35 1wg7 h LYS 134 N -0.06 0.13 -2.05 2.33 3.64 -0.42 0.20 116.57 120.34 1wg7 h LYS 134 Ca -0.17 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.63 1wg7 h LYS 134 Cb 1.77 -0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 33.37 1wg7 h LYS 134 CO 0.19 0.09 0.67 0.54 -2.27 0.00 0.00 179.45 178.68 1wg7 n ARG 135 N -5.30 2.69 -3.25 1.90 5.12 -1.19 -4.64 116.66 111.99 1wg7 n ARG 135 Ca 0.14 -2.68 -0.04 0.00 -1.93 0.00 0.00 57.85 53.35 1wg7 n ARG 135 Cb 0.49 -2.21 -0.03 0.00 -1.16 0.00 0.00 32.46 29.55 1wg7 n ARG 135 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1wg7 s ASN 136 N 0.08 -0.79 -0.12 0.55 3.84 0.70 -4.99 114.94 114.21 1wg7 s ASN 136 Ca 0.57 -0.88 -0.10 0.00 0.21 0.00 0.00 52.86 52.66 1wg7 s ASN 136 Cb 0.37 1.58 -0.08 0.00 -0.55 0.00 0.00 41.25 42.58 1wg7 s ASN 136 CO -0.25 -0.21 0.19 1.23 -2.79 0.00 0.00 177.10 175.27 1wg7 h GLY 137 N 7.15 0.00 -7.01 1.21 0.00 -1.82 -3.41 103.07 99.19 1wg7 h GLY 137 Ca 0.04 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.68 1wg7 h GLY 137 CO 0.14 0.00 1.44 1.22 0.00 0.00 0.00 176.54 179.34 1wg7 n ASP 138 N -4.70 0.81 -2.93 0.19 8.00 -1.26 -2.78 116.55 113.89 1wg7 n ASP 138 Ca -0.05 0.50 -0.02 0.00 0.71 0.00 0.00 54.79 55.94 1wg7 n ASP 138 Cb 0.19 -0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 40.32 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wg7 n SER 139 N 8.66 -5.57 -3.65 -2.24 2.88 -1.26 -5.04 113.62 107.40 1wg7 n SER 139 Ca 0.56 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1wg7 n SER 139 Cb 0.02 -3.11 -0.06 0.00 -0.75 0.00 0.00 64.21 60.31 1wg7 n SER 139 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wg7 s HIS 140 N -0.65 -0.21 0.00 0.66 3.76 -1.12 -5.08 115.29 112.66 1wg7 s HIS 140 Ca -0.08 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 1wg7 s HIS 140 Cb 0.01 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.87 1wg7 s HIS 140 CO 0.33 -0.10 0.00 0.39 -0.85 0.00 0.00 174.74 174.51 1wg7 n GLU 141 N 3.05 0.00 0.05 1.40 -0.58 -1.26 -4.96 120.64 118.34 1wg7 n GLU 141 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1wg7 n GLU 141 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1wg7 n GLU 141 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wg7 n ASP 142 N 0.00 0.44 0.00 1.62 -0.08 -1.26 -5.06 116.55 112.21 1wg7 n ASP 142 Ca 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1wg7 n ASP 142 Cb 0.00 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.39 1wg7 n ASP 142 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wg7 n ASP 143 N -3.25 0.00 -3.17 1.67 8.00 -1.26 -5.14 116.55 113.40 1wg7 n ASP 143 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1wg7 n ASP 143 Cb 0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1wg7 n ASP 143 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wg7 s GLU 144 N -2.00 0.54 -0.04 -1.24 2.56 -1.26 -4.89 118.70 112.37 1wg7 s GLU 144 Ca 0.00 0.63 -0.08 0.00 0.00 0.00 0.00 54.97 55.52 1wg7 s GLU 144 Cb 0.00 0.25 -0.03 0.00 2.00 0.00 0.00 34.13 36.35 1wg7 s GLU 144 CO 0.00 -0.92 -0.16 -1.13 -0.56 0.00 0.00 175.26 172.49 1wg7 n SER 145 N 5.41 1.41 0.00 -1.70 3.41 -1.26 -4.77 113.62 116.13 1wg7 n SER 145 Ca 0.03 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1wg7 n SER 145 Cb 0.53 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1wg7 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wg7 n GLY 146 N 2.52 3.11 3.45 5.00 0.00 -1.26 -5.00 105.19 113.01 1wg7 n GLY 146 Ca -0.09 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1wg7 n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg7 n PRO 147 N -1.31 -2.10 -3.42 1.61 -0.04 -1.26 -4.92 135.00 123.57 1wg7 n PRO 147 Ca 0.00 -1.79 -0.01 0.00 -0.04 0.00 0.00 63.50 61.66 1wg7 n PRO 147 Cb 0.00 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.01 1wg7 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wg7 s SER 148 N -4.93 -0.89 0.17 3.54 1.04 -1.26 -5.14 113.70 106.23 1wg7 s SER 148 Ca 0.69 1.02 -0.23 0.00 0.48 0.00 0.00 55.95 57.90 1wg7 s SER 148 Cb -0.04 1.93 0.06 0.00 0.10 0.00 0.00 66.02 68.07 1wg7 s SER 148 CO 0.50 -0.25 0.65 -0.55 0.98 0.00 0.00 173.24 174.57 1wg7 s SER 149 N 2.79 -0.49 0.00 7.02 0.15 -1.26 -5.28 113.70 116.63 1wg7 s SER 149 Ca 0.08 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wg7 s SER 149 Cb -0.14 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1wg7 s SER 149 CO -0.18 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 173.85