#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg7 n SER 2 N 0.00 -6.40 0.00 1.61 2.88 -1.26 -5.11 113.62 105.34 1wg7 n SER 2 Ca 0.00 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1wg7 n SER 2 Cb 0.00 -2.70 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 1wg7 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg7 n SER 3 N 0.24 0.00 0.00 -3.46 7.64 -1.26 -5.16 113.62 111.62 1wg7 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wg7 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wg7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg7 n GLY 4 N -0.39 1.54 2.74 0.23 0.00 -1.26 -5.13 105.19 102.92 1wg7 n GLY 4 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.43 -0.30 1.61 0.15 -1.26 -5.13 113.70 108.34 1wg7 s SER 5 Ca 0.00 -0.38 -0.17 0.00 0.70 0.00 0.00 55.95 56.10 1wg7 s SER 5 Cb 0.00 0.56 0.17 0.00 -1.71 0.00 0.00 66.02 65.05 1wg7 s SER 5 CO 0.00 -0.03 1.19 -0.55 1.20 0.00 0.00 173.24 175.05 1wg7 s SER 6 N 1.41 -0.14 -0.50 5.45 0.15 -1.26 -5.11 113.70 113.70 1wg7 s SER 6 Ca 0.20 0.07 0.07 0.00 0.70 0.00 0.00 55.95 56.98 1wg7 s SER 6 Cb 0.07 1.11 0.20 0.00 -1.71 0.00 0.00 66.02 65.69 1wg7 s SER 6 CO -0.12 -0.03 0.72 0.61 1.20 0.00 0.00 173.24 175.63 1wg7 n GLY 7 N 5.37 -0.09 3.15 9.45 0.00 -1.26 -5.09 105.19 116.72 1wg7 n GLY 7 Ca -0.04 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.70 -3.64 0.00 4.61 0.00 -1.26 -5.17 121.76 117.00 1wg7 s ALA 8 Ca 0.31 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1wg7 s ALA 8 Cb 0.06 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1wg7 s ALA 8 CO -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 175.76 174.09 1wg7 n ALA 9 N 5.43 0.00 -1.25 0.00 0.00 -1.26 -5.15 120.51 118.28 1wg7 n ALA 9 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1wg7 n ALA 9 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1wg7 n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wg7 n SER 10 N 0.00 -6.76 -3.91 0.00 2.88 -1.26 -5.08 113.62 99.49 1wg7 n SER 10 Ca 0.00 0.87 -0.09 0.00 -1.33 0.00 0.00 58.87 58.32 1wg7 n SER 10 Cb 0.00 -3.01 -0.09 0.00 -0.75 0.00 0.00 64.21 60.36 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 -1.43 1.69 0.00 2.46 1.43 -1.26 -5.15 118.68 116.41 1wg7 s LEU 11 Ca 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1wg7 s LEU 11 Cb 0.00 0.72 0.00 0.00 0.03 0.00 0.00 46.19 46.94 1wg7 s LEU 11 CO 0.00 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1wg7 n GLY 12 N 0.59 -1.55 2.88 -3.19 0.00 -1.26 -5.06 105.19 97.60 1wg7 n GLY 12 Ca -0.18 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 13 N -2.96 4.17 -0.25 1.61 1.04 -1.26 -5.05 113.70 111.00 1wg7 s SER 13 Ca 0.00 -3.04 -0.28 0.00 0.48 0.00 0.00 55.95 53.12 1wg7 s SER 13 Cb 0.00 -1.47 0.16 0.00 0.10 0.00 0.00 66.02 64.80 1wg7 s SER 13 CO 0.00 -0.22 1.20 0.00 0.98 0.00 0.00 173.24 175.20 1wg7 s GLN 14 N -0.29 0.32 -0.62 4.02 -2.07 -1.26 -4.85 119.66 114.91 1wg7 s GLN 14 Ca 0.18 0.20 0.02 0.00 -1.82 0.00 0.00 55.36 53.95 1wg7 s GLN 14 Cb -0.22 0.15 0.15 0.00 -1.09 0.00 0.00 33.01 32.01 1wg7 s GLN 14 CO -0.03 -0.08 0.40 0.15 -1.32 0.00 0.00 175.29 174.42 1wg7 s LYS 15 N -0.52 2.34 0.00 9.60 -0.14 -1.26 -4.91 119.74 124.85 1wg7 s LYS 15 Ca 0.04 -2.85 0.00 0.00 -1.36 0.00 0.00 55.97 51.80 1wg7 s LYS 15 Cb -0.03 -3.49 0.00 0.00 -1.68 0.00 0.00 37.83 32.64 1wg7 s LYS 15 CO -0.06 -1.18 0.00 0.41 -0.76 0.00 0.00 175.35 173.76 1wg7 n GLY 16 N 2.83 1.49 0.14 -3.33 0.00 -1.26 -4.89 105.19 100.17 1wg7 n GLY 16 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.60 0.00 -0.02 0.00 -1.26 -5.05 105.19 96.26 1wg7 n GLY 17 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1wg7 n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wg7 n ILE 18 N -2.29 0.00 0.00 -0.61 5.41 -1.26 -5.15 119.36 115.45 1wg7 n ILE 18 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1wg7 n ILE 18 Cb 0.07 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 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 -0.40 0.00 -3.65 1.39 5.66 -1.26 -4.89 114.28 111.12 1wg7 n THR 19 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1wg7 n THR 19 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1wg7 n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1wg7 s LYS 20 N -2.00 0.02 -0.20 1.09 2.20 -1.26 -5.04 119.74 114.55 1wg7 s LYS 20 Ca 0.00 0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 1wg7 s LYS 20 Cb 0.00 0.01 0.07 0.00 -1.51 0.00 0.00 37.83 36.40 1wg7 s LYS 20 CO 0.00 -0.01 0.48 -3.38 -0.36 0.00 0.00 175.35 172.09 1wg7 s HIS 21 N -0.55 -0.75 -0.14 4.03 -3.43 -1.26 -2.21 115.29 110.97 1wg7 s HIS 21 Ca 0.09 1.54 -0.34 0.00 -0.80 0.00 0.00 55.06 55.55 1wg7 s HIS 21 Cb -0.03 0.37 0.13 0.00 -1.43 0.00 0.00 32.58 31.63 1wg7 s HIS 21 CO -0.12 -0.41 1.24 0.20 -2.00 0.00 0.00 174.74 173.65 1wg7 s GLY 22 N 1.60 -0.32 -0.16 -1.38 0.00 -1.22 -5.05 107.32 100.79 1wg7 s GLY 22 Ca -0.09 1.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.69 1wg7 s GLY 22 CO -0.15 0.42 1.35 -0.98 0.00 0.00 0.00 173.10 173.75 1wg7 s TRP 23 N -2.40 2.64 0.41 1.90 0.52 -1.26 -2.70 118.94 118.04 1wg7 s TRP 23 Ca 0.11 0.82 0.05 0.00 0.02 0.00 0.00 56.10 57.10 1wg7 s TRP 23 Cb 0.01 -3.63 -0.06 0.00 -1.15 0.00 0.00 33.47 28.64 1wg7 s TRP 23 CO -0.04 -2.17 0.03 -1.17 0.02 0.00 0.00 176.95 173.62 1wg7 s LEU 24 N 3.74 2.53 -0.30 2.99 2.96 0.23 -4.80 118.68 126.03 1wg7 s LEU 24 Ca 0.59 -1.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1wg7 s LEU 24 Cb -0.24 -0.69 0.08 0.00 0.50 0.00 0.00 46.19 45.85 1wg7 s LEU 24 CO 0.19 -0.61 0.00 -0.31 -1.32 0.00 0.00 176.35 174.30 1wg7 s TYR 25 N -2.91 3.10 0.61 5.38 1.51 -0.22 0.19 117.35 125.00 1wg7 s TYR 25 Ca 0.28 -2.43 -0.15 0.00 -1.01 0.00 0.00 57.07 53.76 1wg7 s TYR 25 Cb 0.07 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1wg7 s TYR 25 CO 0.14 -0.89 1.05 0.21 -1.11 0.00 0.00 175.55 174.95 1wg7 s LYS 26 N 1.14 3.32 0.00 -0.62 2.20 -0.21 -1.43 119.74 124.15 1wg7 s LYS 26 Ca 0.03 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1wg7 s LYS 26 Cb -0.19 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1wg7 s LYS 26 CO -0.09 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.51 1wg7 n GLY 27 N -1.35 3.05 0.28 5.54 0.00 0.42 -2.76 105.19 110.36 1wg7 n GLY 27 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wg7 n ASN 28 N 0.00 0.00 -1.76 1.61 4.13 -1.23 -4.70 115.26 113.31 1wg7 n ASN 28 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1wg7 n ASN 28 Cb 0.00 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1wg7 n ASN 28 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1wg7 n MET 29 N -1.37 -3.90 -4.05 3.52 1.56 -0.88 -4.70 117.12 107.31 1wg7 n MET 29 Ca 0.00 2.93 -0.11 0.00 -0.27 0.00 0.00 57.70 60.25 1wg7 n MET 29 Cb 0.00 -3.24 -0.05 0.00 2.15 0.00 0.00 33.22 32.08 1wg7 n MET 29 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1wg7 s ASN 30 N -0.39 0.30 0.00 6.12 0.01 -1.26 -4.85 114.94 114.86 1wg7 s ASN 30 Ca 0.00 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 1wg7 s ASN 30 Cb 0.00 0.59 0.00 0.00 0.41 0.00 0.00 41.25 42.25 1wg7 s ASN 30 CO 0.00 -1.17 0.55 -1.20 -1.51 0.00 0.00 177.10 173.77 1wg7 n SER 31 N -0.76 0.00 -4.19 -1.22 7.64 -1.26 -4.26 113.62 109.57 1wg7 n SER 31 Ca -0.00 0.55 -0.30 0.00 1.01 0.00 0.00 58.87 60.12 1wg7 n SER 31 Cb 0.62 -0.05 0.19 0.00 -1.01 0.00 0.00 64.21 63.97 1wg7 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n ALA 32 N -1.13 -3.78 -0.09 -0.43 0.00 -1.26 -4.85 120.51 108.98 1wg7 n ALA 32 Ca 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 53.44 51.98 1wg7 n ALA 32 Cb 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.32 0.62 -0.57 0.00 6.09 -1.99 -2.89 117.51 116.45 1wg7 h ILE 33 Ca -0.52 -1.76 0.16 0.00 -1.37 0.00 0.00 64.86 61.38 1wg7 h ILE 33 Cb 1.30 1.46 -0.02 0.00 0.47 0.00 0.00 36.82 40.03 1wg7 h ILE 33 CO 0.37 0.21 0.71 0.28 -3.07 0.00 0.00 178.15 176.65 1wg7 h SER 34 N -1.00 0.00 0.23 2.19 0.02 -1.95 1.03 113.55 114.07 1wg7 h SER 34 Ca -0.21 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.40 1wg7 h SER 34 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1wg7 h SER 34 CO -0.13 0.00 -1.82 1.62 -1.14 0.00 0.00 176.83 175.36 1wg7 h VAL 35 N 0.00 0.82 -0.86 2.27 3.04 -1.91 -2.89 116.25 116.73 1wg7 h VAL 35 Ca 0.27 -2.50 0.14 0.00 -1.01 0.00 0.00 66.70 63.60 1wg7 h VAL 35 Cb 1.68 2.62 -0.09 0.00 -2.01 0.00 0.00 31.29 33.49 1wg7 h VAL 35 CO -0.00 0.84 0.45 0.00 -1.01 0.00 0.00 177.57 177.85 1wg7 h THR 36 N 0.08 0.75 0.13 3.17 1.03 0.13 -1.42 112.91 116.78 1wg7 h THR 36 Ca -0.36 -0.22 -0.30 0.00 -0.01 0.00 0.00 66.41 65.52 1wg7 h THR 36 Cb 2.05 0.04 0.03 0.00 -1.07 0.00 0.00 68.15 69.20 1wg7 h THR 36 CO 0.13 0.12 -1.27 0.24 -0.01 0.00 0.00 175.52 174.73 1wg7 h MET 37 N 0.65 0.57 -6.85 0.00 2.86 -1.44 -2.32 114.93 108.40 1wg7 h MET 37 Ca 0.46 -0.79 -0.57 0.00 -2.06 0.00 0.00 59.70 56.75 1wg7 h MET 37 Cb 0.64 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 1wg7 h MET 37 CO -0.35 1.36 -1.01 0.54 1.06 0.00 0.00 176.91 178.50 1wg7 n ARG 38 N -3.75 -0.49 -3.41 1.72 5.12 -0.53 -2.12 116.66 113.19 1wg7 n ARG 38 Ca -0.13 0.20 -0.29 0.00 -1.93 0.00 0.00 57.85 55.70 1wg7 n ARG 38 Cb 1.00 -2.64 0.02 0.00 -1.16 0.00 0.00 32.46 29.68 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 -2.25 -4.52 -3.68 0.55 7.64 -1.26 -4.43 113.62 105.67 1wg7 n SER 39 Ca -0.13 -0.48 -0.52 0.00 1.01 0.00 0.00 58.87 58.74 1wg7 n SER 39 Cb 0.58 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 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 -1.19 1.04 -3.47 1.43 3.72 -0.90 -4.86 117.46 113.23 1wg7 n PHE 40 Ca -0.18 0.69 -0.37 0.00 -0.05 0.00 0.00 57.45 57.54 1wg7 n PHE 40 Cb 0.61 -1.96 -0.06 0.00 -0.94 0.00 0.00 39.48 37.13 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1wg7 s LYS 41 N 4.93 4.16 -0.18 -1.08 2.36 -1.11 -4.92 119.74 123.90 1wg7 s LYS 41 Ca 1.02 0.28 -0.27 0.00 -2.55 0.00 0.00 55.97 54.45 1wg7 s LYS 41 Cb -1.29 -3.37 -0.01 0.00 -1.05 0.00 0.00 37.83 32.12 1wg7 s LYS 41 CO 0.58 0.35 0.90 0.50 1.55 0.00 0.00 175.35 179.22 1wg7 s ARG 42 N 0.07 4.29 0.18 4.03 3.52 -1.26 -1.04 118.95 128.75 1wg7 s ARG 42 Ca 0.21 1.13 0.03 0.00 -0.13 0.00 0.00 55.73 56.97 1wg7 s ARG 42 Cb -0.15 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.61 1wg7 s ARG 42 CO 0.08 -0.41 -0.01 1.03 -0.81 0.00 0.00 175.30 175.18 1wg7 s ARG 43 N 2.42 1.16 -0.55 5.12 0.52 0.50 -4.93 118.95 123.20 1wg7 s ARG 43 Ca 0.40 -1.56 -0.17 0.00 -0.52 0.00 0.00 55.73 53.88 1wg7 s ARG 43 Cb -0.16 -0.41 0.10 0.00 0.52 0.00 0.00 34.95 35.00 1wg7 s ARG 43 CO 0.11 -0.09 0.58 0.12 0.02 0.00 0.00 175.30 176.04 1wg7 s PHE 44 N -3.55 3.12 -0.42 -0.53 5.36 -0.59 0.77 117.98 122.15 1wg7 s PHE 44 Ca 0.24 -1.02 -0.26 0.00 -0.96 0.00 0.00 56.93 54.93 1wg7 s PHE 44 Cb 0.05 -3.77 0.02 0.00 -0.34 0.00 0.00 43.02 38.99 1wg7 s PHE 44 CO 0.05 -1.10 0.95 -0.06 -1.46 0.00 0.00 175.22 173.59 1wg7 s PHE 45 N 2.16 2.98 -0.16 10.12 0.40 -1.10 0.16 117.98 132.54 1wg7 s PHE 45 Ca 0.08 0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 56.95 1wg7 s PHE 45 Cb -0.26 -3.88 -0.03 0.00 0.51 0.00 0.00 43.02 39.37 1wg7 s PHE 45 CO 0.06 -1.00 -0.04 -1.58 0.70 0.00 0.00 175.22 173.36 1wg7 s HIS 46 N 3.70 3.01 -0.14 0.36 5.65 0.29 -3.42 115.29 124.75 1wg7 s HIS 46 Ca 0.38 -0.34 -0.11 0.00 0.25 0.00 0.00 55.06 55.25 1wg7 s HIS 46 Cb -0.11 -1.97 -0.05 0.00 -1.18 0.00 0.00 32.58 29.28 1wg7 s HIS 46 CO 0.24 -0.07 0.22 -1.17 -0.65 0.00 0.00 174.74 173.30 1wg7 s LEU 47 N 0.44 4.31 0.01 8.88 2.96 -0.94 0.29 118.68 134.64 1wg7 s LEU 47 Ca -0.04 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1wg7 s LEU 47 Cb -0.14 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 1wg7 s LEU 47 CO 0.03 0.25 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.75 1wg7 s ILE 48 N -0.23 0.33 -0.41 6.68 2.07 -0.72 -4.58 121.20 124.34 1wg7 s ILE 48 Ca 0.15 -0.46 -0.19 0.00 -1.41 0.00 0.00 60.65 58.73 1wg7 s ILE 48 Cb -0.13 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1wg7 s ILE 48 CO 0.04 -0.10 0.57 -1.58 -1.91 0.00 0.00 174.94 171.96 1wg7 s GLN 49 N -0.60 3.35 1.04 3.50 0.74 -1.26 -0.96 119.66 125.46 1wg7 s GLN 49 Ca -0.03 -0.38 -0.19 0.00 0.05 0.00 0.00 55.36 54.81 1wg7 s GLN 49 Cb -0.04 -3.91 -0.02 0.00 1.10 0.00 0.00 33.01 30.14 1wg7 s GLN 49 CO -0.00 -0.88 -0.38 1.28 -0.55 0.00 0.00 175.29 174.76 1wg7 n LEU 50 N 6.00 -2.56 -3.65 3.68 7.99 0.31 -4.75 117.00 124.02 1wg7 n LEU 50 Ca -0.03 0.05 -0.41 0.00 -0.01 0.00 0.00 56.01 55.61 1wg7 n LEU 50 Cb 0.48 -0.88 -0.01 0.00 -0.11 0.00 0.00 43.42 42.90 1wg7 n LEU 50 CO 0.50 -3.53 2.65 0.61 -1.51 0.00 0.00 177.39 176.11 1wg7 n GLY 51 N 2.46 4.54 0.13 -0.72 0.00 -1.26 -3.33 105.19 107.00 1wg7 n GLY 51 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 4.69 0.00 0.00 1.61 2.03 -1.26 -5.02 116.55 118.61 1wg7 n ASP 52 Ca 0.56 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1wg7 n ASP 52 Cb 0.34 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg7 n GLY 53 N -0.84 1.79 3.75 0.27 0.00 -1.21 -5.01 105.19 103.94 1wg7 n GLY 53 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1wg7 n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 54 N 0.00 5.30 0.24 1.61 0.15 -1.26 -4.70 113.70 115.05 1wg7 s SER 54 Ca 0.00 2.46 0.08 0.00 0.70 0.00 0.00 55.95 59.19 1wg7 s SER 54 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1wg7 s SER 54 CO 0.00 -1.52 0.08 -0.31 1.20 0.00 0.00 173.24 172.69 1wg7 s TYR 55 N -1.52 2.89 -0.10 3.44 1.51 -1.26 0.11 117.35 122.42 1wg7 s TYR 55 Ca 0.75 -0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 56.60 1wg7 s TYR 55 Cb -0.32 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1wg7 s TYR 55 CO 0.36 0.57 0.23 -0.80 -1.11 0.00 0.00 175.55 174.80 1wg7 s ASN 56 N -3.61 -0.24 -0.59 2.29 -0.87 -0.14 -3.91 114.94 107.87 1wg7 s ASN 56 Ca 0.31 0.49 -0.21 0.00 -1.57 0.00 0.00 52.86 51.88 1wg7 s ASN 56 Cb -0.07 0.38 0.08 0.00 -0.02 0.00 0.00 41.25 41.62 1wg7 s ASN 56 CO 0.22 -0.15 0.79 -0.22 -2.57 0.00 0.00 177.10 175.17 1wg7 s LEU 57 N 1.11 4.86 -0.23 0.60 2.96 -1.14 -1.75 118.68 125.09 1wg7 s LEU 57 Ca -0.08 -1.09 -0.08 0.00 -0.22 0.00 0.00 54.13 52.67 1wg7 s LEU 57 Cb -0.09 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1wg7 s LEU 57 CO -0.07 -1.19 0.08 0.20 -1.32 0.00 0.00 176.35 174.05 1wg7 s ASN 58 N 3.38 5.31 -0.11 3.68 0.01 0.15 -0.87 114.94 126.48 1wg7 s ASN 58 Ca 0.17 -0.13 -0.03 0.00 -0.71 0.00 0.00 52.86 52.17 1wg7 s ASN 58 Cb -0.20 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.48 1wg7 s ASN 58 CO 0.10 0.01 -0.00 0.72 -1.51 0.00 0.00 177.10 176.42 1wg7 s PHE 59 N 1.32 3.14 0.25 2.20 -0.71 -0.89 0.10 117.98 123.39 1wg7 s PHE 59 Ca 0.05 0.07 0.09 0.00 -1.04 0.00 0.00 56.93 56.11 1wg7 s PHE 59 Cb -0.15 -1.86 -0.04 0.00 -1.21 0.00 0.00 43.02 39.76 1wg7 s PHE 59 CO 0.04 0.32 -0.03 0.71 -1.34 0.00 0.00 175.22 174.92 1wg7 s TYR 60 N -0.46 2.67 0.37 3.49 1.51 0.12 -1.25 117.35 123.81 1wg7 s TYR 60 Ca 0.08 -0.22 0.09 0.00 -1.01 0.00 0.00 57.07 56.01 1wg7 s TYR 60 Cb -0.12 -1.21 0.84 0.00 -0.11 0.00 0.00 41.96 41.36 1wg7 s TYR 60 CO 0.02 0.60 1.92 -0.22 -1.11 0.00 0.00 175.55 176.76 1wg7 h LYS 61 N 2.15 0.64 0.00 -0.62 3.64 -1.91 -1.55 116.57 118.92 1wg7 h LYS 61 Ca -0.45 -0.04 -0.46 0.00 -1.27 0.00 0.00 60.65 58.44 1wg7 h LYS 61 Cb 1.24 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.80 1wg7 h LYS 61 CO 0.59 0.42 -0.42 -0.25 -2.27 0.00 0.00 179.45 177.53 1wg7 n ASP 62 N -4.51 0.20 -0.15 4.20 9.92 -1.26 -4.48 116.55 120.46 1wg7 n ASP 62 Ca 0.14 -2.96 -0.10 0.00 -0.53 0.00 0.00 54.79 51.34 1wg7 n ASP 62 Cb 0.38 1.24 -0.01 0.00 -0.64 0.00 0.00 41.12 42.09 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wg7 h GLU 63 N 0.00 0.76 -5.57 -1.24 5.08 -1.92 -3.41 114.58 108.29 1wg7 h GLU 63 Ca -0.24 -0.25 -0.38 0.00 -1.00 0.00 0.00 59.36 57.49 1wg7 h GLU 63 Cb 1.08 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1wg7 h GLU 63 CO 0.37 0.84 1.36 0.15 -1.00 0.00 0.00 179.01 180.73 1wg7 s LYS 64 N -4.99 2.00 0.00 2.33 1.02 -1.26 -4.89 119.74 113.95 1wg7 s LYS 64 Ca -0.13 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1wg7 s LYS 64 Cb 0.11 -4.62 0.00 0.00 -0.52 0.00 0.00 37.83 32.79 1wg7 s LYS 64 CO 0.80 -3.49 0.00 0.44 -0.92 0.00 0.00 175.35 172.18 1wg7 n ILE 65 N 8.14 0.00 0.00 2.17 -5.35 -1.26 -4.70 119.36 118.36 1wg7 n ILE 65 Ca 0.39 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.87 1wg7 n ILE 65 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 -2.48 7.28 2.88 -1.26 -4.94 113.62 115.10 1wg7 n SER 66 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wg7 n SER 66 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.86 -2.19 -1.46 5.02 -1.26 -4.94 118.16 112.46 1wg7 n LYS 67 Ca 0.00 -0.22 -0.42 0.00 -2.02 0.00 0.00 58.31 55.65 1wg7 n LYS 67 Cb 0.00 -0.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.80 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 -3.31 4.30 1.01 1.97 2.02 -1.26 -5.01 118.70 118.42 1wg7 s GLU 68 Ca 0.09 2.02 -0.15 0.00 0.02 0.00 0.00 54.97 56.94 1wg7 s GLU 68 Cb -0.01 -3.45 0.20 0.00 0.10 0.00 0.00 34.13 30.97 1wg7 s GLU 68 CO 0.06 -0.52 1.18 -1.25 0.02 0.00 0.00 175.26 174.76 1wg7 s PRO 69 N 1.89 0.33 0.06 0.39 0.04 -1.26 -4.91 135.00 131.55 1wg7 s PRO 69 Ca 0.65 -0.02 0.17 0.00 0.04 0.00 0.00 61.00 61.84 1wg7 s PRO 69 Cb -0.34 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 1wg7 s PRO 69 CO 0.28 -2.68 0.83 1.63 0.04 0.00 0.00 177.00 177.10 1wg7 n LYS 70 N -4.04 0.62 0.00 4.56 4.76 -0.38 -5.01 118.16 118.66 1wg7 n LYS 70 Ca 0.11 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1wg7 n LYS 70 Cb 0.59 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1wg7 n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wg7 n GLY 71 N 1.39 1.08 2.76 0.72 0.00 -1.24 -5.03 105.19 104.87 1wg7 n GLY 71 Ca -0.09 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 1.01 -0.09 1.61 1.04 -1.26 -2.10 113.70 113.91 1wg7 s SER 72 Ca 0.00 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 1wg7 s SER 72 Cb 0.00 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1wg7 s SER 72 CO 0.00 -0.17 0.99 -0.63 0.98 0.00 0.00 173.24 174.41 1wg7 s ILE 73 N 1.65 4.80 -1.23 -1.02 1.01 -0.05 -4.88 121.20 121.49 1wg7 s ILE 73 Ca -0.01 2.02 -0.19 0.00 0.00 0.00 0.00 60.65 62.47 1wg7 s ILE 73 Cb -0.13 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 1wg7 s ILE 73 CO -0.03 0.03 1.89 0.49 0.00 0.00 0.00 174.94 177.32 1wg7 n PHE 74 N 4.85 3.60 0.26 3.97 3.01 -1.26 -2.88 117.46 129.00 1wg7 n PHE 74 Ca 0.08 -2.32 0.17 0.00 1.01 0.00 0.00 57.45 56.38 1wg7 n PHE 74 Cb 0.49 -2.52 0.78 0.00 -0.01 0.00 0.00 39.48 38.23 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1wg7 h LEU 75 N 13.93 0.00 -1.57 4.37 3.38 -1.93 1.51 115.31 135.01 1wg7 h LEU 75 Ca 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1wg7 h LEU 75 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wg7 h LEU 75 CO 1.51 0.00 -0.12 -0.78 0.09 0.00 0.00 178.44 179.14 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 3.58 -1.84 -2.76 116.42 114.97 1wg7 h ASP 76 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1wg7 h ASP 76 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1wg7 h ASP 76 CO -0.00 0.12 -1.56 -1.20 -2.88 0.00 0.00 179.24 173.72 1wg7 n SER 77 N -3.35 1.88 -4.69 2.28 7.64 0.49 -4.97 113.62 112.89 1wg7 n SER 77 Ca -0.01 -0.04 -0.53 0.00 1.01 0.00 0.00 58.87 59.30 1wg7 n SER 77 Cb 0.32 1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 65.04 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 7.62 0.00 0.00 0.00 0.00 0.17 -3.47 114.93 119.26 1wg7 h MET 79 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.23 1wg7 h MET 79 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.90 1wg7 h MET 79 CO 0.94 0.85 0.00 0.41 0.00 0.00 0.00 176.91 179.11 1wg7 n GLY 80 N 1.31 3.73 3.80 8.32 0.00 -1.16 -5.02 105.19 116.17 1wg7 n GLY 80 Ca 0.01 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 4.58 0.41 1.61 1.01 -1.26 -1.74 120.40 123.01 1wg7 s VAL 81 Ca 0.00 1.42 0.07 0.00 0.00 0.00 0.00 61.98 63.47 1wg7 s VAL 81 Cb 0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1wg7 s VAL 81 CO 0.00 0.54 0.21 0.68 0.00 0.00 0.00 175.10 176.53 1wg7 s VAL 82 N -1.12 2.35 -0.12 2.92 -7.23 0.39 -4.97 120.40 112.62 1wg7 s VAL 82 Ca 0.32 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1wg7 s VAL 82 Cb -0.21 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1wg7 s VAL 82 CO 0.22 0.00 0.04 -1.10 -0.31 0.00 0.00 175.10 173.95 1wg7 s GLN 83 N -3.94 3.35 -0.42 4.82 -0.21 -1.26 -2.70 119.66 119.30 1wg7 s GLN 83 Ca 0.42 -0.35 0.05 0.00 0.02 0.00 0.00 55.36 55.50 1wg7 s GLN 83 Cb 0.03 -2.98 0.17 0.00 1.00 0.00 0.00 33.01 31.23 1wg7 s GLN 83 CO 0.23 0.59 0.47 1.21 -2.12 0.00 0.00 175.29 175.67 1wg7 s ASN 84 N -0.54 0.38 -0.28 5.90 2.47 0.83 -4.84 114.94 118.85 1wg7 s ASN 84 Ca 0.10 -1.88 0.05 0.00 0.42 0.00 0.00 52.86 51.55 1wg7 s ASN 84 Cb -0.12 0.77 0.54 0.00 -1.45 0.00 0.00 41.25 40.99 1wg7 s ASN 84 CO 0.02 -0.18 1.60 -0.46 -3.72 0.00 0.00 177.10 174.36 1wg7 n ASN 85 N 3.65 3.88 -0.09 -4.21 0.23 -1.25 -3.01 115.26 114.47 1wg7 n ASN 85 Ca 0.17 -3.03 -0.15 0.00 -0.53 0.00 0.00 54.58 51.04 1wg7 n ASN 85 Cb 0.49 -0.72 -0.08 0.00 -2.08 0.00 0.00 39.78 37.40 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1wg7 h LYS 86 N 1.47 0.00 0.19 -3.83 1.79 -1.90 -3.39 116.57 110.90 1wg7 h LYS 86 Ca 0.32 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1wg7 h LYS 86 Cb 2.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.79 1wg7 h LYS 86 CO 0.68 0.61 -0.09 -0.39 -1.08 0.00 0.00 179.45 179.17 1wg7 h VAL 87 N -1.00 0.79 -3.44 0.50 -1.51 -1.94 -3.45 116.25 106.20 1wg7 h VAL 87 Ca -0.20 -1.04 -0.45 0.00 -1.23 0.00 0.00 66.70 63.78 1wg7 h VAL 87 Cb 0.96 1.31 -0.34 0.00 -2.13 0.00 0.00 31.29 31.10 1wg7 h VAL 87 CO -0.12 0.20 -0.79 -0.60 -1.23 0.00 0.00 177.57 175.03 1wg7 s ARG 88 N -3.58 1.17 0.29 5.19 3.52 -1.26 -5.00 118.95 119.28 1wg7 s ARG 88 Ca -0.13 -0.22 0.20 0.00 -0.13 0.00 0.00 55.73 55.45 1wg7 s ARG 88 Cb 0.01 -1.06 1.02 0.00 -1.56 0.00 0.00 34.95 33.36 1wg7 s ARG 88 CO 0.47 -0.04 1.11 -2.13 -0.81 0.00 0.00 175.30 173.91 1wg7 n ARG 89 N 3.96 -0.03 -3.15 5.12 0.63 -1.26 0.37 116.66 122.29 1wg7 n ARG 89 Ca -0.24 0.92 -0.26 0.00 -0.92 0.00 0.00 57.85 57.36 1wg7 n ARG 89 Cb 0.51 -1.76 -0.05 0.00 0.45 0.00 0.00 32.46 31.61 1wg7 n ARG 89 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1wg7 n PHE 90 N -4.30 3.07 -4.94 -0.14 3.72 -1.26 -4.58 117.46 109.02 1wg7 n PHE 90 Ca 0.28 -3.99 -0.32 0.00 -0.05 0.00 0.00 57.45 53.36 1wg7 n PHE 90 Cb 1.04 -0.49 -0.16 0.00 -0.94 0.00 0.00 39.48 38.93 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 -2.82 2.33 0.00 4.37 0.00 0.16 -1.74 121.76 124.06 1wg7 s ALA 91 Ca 0.44 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1wg7 s ALA 91 Cb 0.24 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1wg7 s ALA 91 CO -0.09 0.19 -0.15 -0.59 0.00 0.00 0.00 175.76 175.12 1wg7 s PHE 92 N 0.47 1.34 -0.07 0.00 -0.71 0.58 -0.12 117.98 119.48 1wg7 s PHE 92 Ca -0.14 -0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 55.42 1wg7 s PHE 92 Cb -0.17 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.75 1wg7 s PHE 92 CO 0.05 -0.01 0.18 -2.00 -1.34 0.00 0.00 175.22 172.11 1wg7 s GLU 93 N -0.54 3.48 -0.40 1.99 2.12 -1.10 -0.65 118.70 123.61 1wg7 s GLU 93 Ca 0.05 -0.14 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 1wg7 s GLU 93 Cb -0.06 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.19 1wg7 s GLU 93 CO -0.00 0.73 0.28 -0.51 -0.54 0.00 0.00 175.26 175.23 1wg7 s LEU 94 N -1.36 5.00 -0.22 2.70 2.01 0.12 -0.46 118.68 126.47 1wg7 s LEU 94 Ca 0.20 -0.84 -0.27 0.00 0.01 0.00 0.00 54.13 53.23 1wg7 s LEU 94 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 46.19 43.93 1wg7 s LEU 94 CO 0.10 -0.42 0.96 -0.54 1.01 0.00 0.00 176.35 177.46 1wg7 s LYS 95 N 1.68 4.26 0.37 1.70 -0.14 -0.71 -2.33 119.74 124.56 1wg7 s LYS 95 Ca 0.05 1.21 0.08 0.00 -1.36 0.00 0.00 55.97 55.95 1wg7 s LYS 95 Cb -0.19 -3.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 1wg7 s LYS 95 CO 0.10 -0.54 0.18 -1.64 -0.76 0.00 0.00 175.35 172.69 1wg7 s MET 96 N 2.88 2.35 0.06 1.68 -1.94 -0.35 0.18 119.30 124.16 1wg7 s MET 96 Ca 0.41 -1.63 0.23 0.00 -1.71 0.00 0.00 55.69 52.99 1wg7 s MET 96 Cb -0.16 -2.14 0.04 0.00 2.01 0.00 0.00 34.83 34.58 1wg7 s MET 96 CO 0.08 0.01 1.01 0.00 -0.01 0.00 0.00 175.02 176.12 1wg7 n GLN 97 N -1.22 0.33 -0.93 2.03 10.64 -0.77 -4.18 117.38 123.28 1wg7 n GLN 97 Ca -0.02 -0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.01 1wg7 n GLN 97 Cb 0.62 -1.61 -0.01 0.00 -0.86 0.00 0.00 30.24 28.38 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 -2.03 6.08 -4.03 2.61 -0.08 -1.26 -4.80 116.55 113.04 1wg7 n ASP 98 Ca 0.02 -2.88 -0.43 0.00 -1.51 0.00 0.00 54.79 49.99 1wg7 n ASP 98 Cb 0.45 -1.15 0.02 0.00 2.34 0.00 0.00 41.12 42.78 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1wg7 n LYS 99 N 0.95 -0.45 -3.59 -0.67 5.02 -1.26 -4.92 118.16 113.25 1wg7 n LYS 99 Ca 0.28 0.16 -0.06 0.00 -2.02 0.00 0.00 58.31 56.67 1wg7 n LYS 99 Cb 0.59 -2.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.28 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wg7 s SER 100 N -3.45 -0.28 -0.21 4.39 0.01 -1.26 -5.08 113.70 107.82 1wg7 s SER 100 Ca 0.40 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 57.25 1wg7 s SER 100 Cb -0.22 0.40 0.09 0.00 0.21 0.00 0.00 66.02 66.50 1wg7 s SER 100 CO 0.94 -0.68 0.83 -0.94 0.41 0.00 0.00 173.24 173.80 1wg7 s SER 101 N -2.63 -0.60 0.16 2.44 1.04 -1.25 -1.22 113.70 111.63 1wg7 s SER 101 Ca 0.08 0.98 0.04 0.00 0.48 0.00 0.00 55.95 57.53 1wg7 s SER 101 Cb -0.01 0.93 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 1wg7 s SER 101 CO -0.05 -0.32 0.18 -0.31 0.98 0.00 0.00 173.24 173.72 1wg7 s TYR 102 N -0.24 3.26 -0.55 5.02 2.02 -0.98 -4.83 117.35 121.05 1wg7 s TYR 102 Ca -0.02 0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 1wg7 s TYR 102 Cb -0.03 -1.57 0.14 0.00 -0.40 0.00 0.00 41.96 40.11 1wg7 s TYR 102 CO 0.01 0.52 0.38 -1.17 -1.57 0.00 0.00 175.55 173.72 1wg7 s LEU 103 N -3.12 5.42 0.32 -1.29 2.96 -1.26 0.12 118.68 121.83 1wg7 s LEU 103 Ca 0.32 -2.45 -0.02 0.00 -0.22 0.00 0.00 54.13 51.76 1wg7 s LEU 103 Cb -0.10 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1wg7 s LEU 103 CO 0.25 -0.49 0.55 -0.76 -1.32 0.00 0.00 176.35 174.58 1wg7 s LEU 104 N 0.53 4.03 -0.28 -0.68 1.02 0.17 0.16 118.68 123.63 1wg7 s LEU 104 Ca 0.13 0.55 -0.18 0.00 0.02 0.00 0.00 54.13 54.64 1wg7 s LEU 104 Cb -0.21 -3.39 0.08 0.00 0.02 0.00 0.00 46.19 42.69 1wg7 s LEU 104 CO -0.04 -0.25 0.72 0.00 0.02 0.00 0.00 176.35 176.80 1wg7 s ALA 105 N -2.22 -1.89 0.54 4.21 0.00 -0.51 -0.31 121.76 121.58 1wg7 s ALA 105 Ca 0.41 2.31 0.08 0.00 0.00 0.00 0.00 51.96 54.76 1wg7 s ALA 105 Cb -0.10 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.68 1wg7 s ALA 105 CO 0.34 -0.36 0.57 0.00 0.00 0.00 0.00 175.76 176.31 1wg7 s ALA 106 N 1.29 4.53 -0.13 0.00 0.00 -0.71 -1.06 121.76 125.68 1wg7 s ALA 106 Ca -0.07 -1.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.10 1wg7 s ALA 106 Cb -0.05 -1.09 -0.25 0.00 0.00 0.00 0.00 23.12 21.73 1wg7 s ALA 106 CO -0.14 -0.60 0.34 -3.47 0.00 0.00 0.00 175.76 171.88 1wg7 n ASP 107 N -1.96 2.09 -4.45 0.00 2.03 -1.26 -4.67 116.55 108.34 1wg7 n ASP 107 Ca 0.06 0.24 -0.31 0.00 0.52 0.00 0.00 54.79 55.30 1wg7 n ASP 107 Cb 0.63 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 1wg7 n ASP 107 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wg7 s SER 108 N -7.02 3.79 0.27 1.67 0.01 -1.26 -4.96 113.70 106.20 1wg7 s SER 108 Ca -0.23 -0.35 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 1wg7 s SER 108 Cb 0.07 -0.66 0.43 0.00 0.21 0.00 0.00 66.02 66.07 1wg7 s SER 108 CO 0.74 0.30 1.55 -1.84 0.41 0.00 0.00 173.24 174.39 1wg7 n GLU 109 N 1.94 -0.10 0.03 12.44 0.00 -1.26 -0.72 120.64 132.96 1wg7 n GLU 109 Ca -0.16 1.54 -0.05 0.00 0.00 0.00 0.00 57.16 58.49 1wg7 n GLU 109 Cb 0.52 -2.31 -0.03 0.00 0.00 0.00 0.00 31.44 29.62 1wg7 n GLU 109 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1wg7 h VAL 110 N 0.00 0.00 -1.45 3.84 3.04 -1.97 1.40 116.25 121.11 1wg7 h VAL 110 Ca 0.46 0.00 0.42 0.00 -1.01 0.00 0.00 66.70 66.57 1wg7 h VAL 110 Cb 0.71 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.93 1wg7 h VAL 110 CO -1.02 0.00 1.07 -0.33 -1.01 0.00 0.00 177.57 176.28 1wg7 h GLU 111 N -0.24 0.00 0.08 4.17 5.08 -1.33 2.09 114.58 124.43 1wg7 h GLU 111 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1wg7 h GLU 111 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1wg7 h GLU 111 CO -0.11 0.00 -1.34 1.98 -1.00 0.00 0.00 179.01 178.55 1wg7 h MET 112 N 0.00 0.16 0.19 2.33 4.05 0.14 -3.31 114.93 118.48 1wg7 h MET 112 Ca 0.69 -0.27 -0.31 0.00 -0.28 0.00 0.00 59.70 59.52 1wg7 h MET 112 Cb 2.82 0.10 0.02 0.00 -0.80 0.00 0.00 31.60 33.74 1wg7 h MET 112 CO -0.01 1.04 -1.44 1.05 0.23 0.00 0.00 176.91 177.78 1wg7 h GLU 113 N 0.04 0.39 -0.70 0.39 4.11 1.28 -2.82 114.58 117.28 1wg7 h GLU 113 Ca -0.16 -0.67 0.15 0.00 0.07 0.00 0.00 59.36 58.75 1wg7 h GLU 113 Cb 1.94 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 31.32 1wg7 h GLU 113 CO 0.15 1.31 0.03 0.93 0.07 0.00 0.00 179.01 181.50 1wg7 h GLU 114 N 0.11 0.13 0.31 1.06 5.08 0.23 0.38 114.58 121.87 1wg7 h GLU 114 Ca -0.22 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1wg7 h GLU 114 Cb 2.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1wg7 h GLU 114 CO 0.23 0.08 -0.15 -1.49 -1.00 0.00 0.00 179.01 176.68 1wg7 h TRP 115 N 0.13 -0.38 -1.92 4.33 4.06 -1.66 0.35 115.95 120.86 1wg7 h TRP 115 Ca 0.38 -0.01 0.56 0.00 2.06 0.00 0.00 58.89 61.88 1wg7 h TRP 115 Cb 0.64 0.13 -0.08 0.00 -1.00 0.00 0.00 29.16 28.85 1wg7 h TRP 115 CO -0.38 -0.06 1.37 0.82 -3.56 0.00 0.00 178.44 176.64 1wg7 h ILE 116 N -0.97 0.02 0.00 1.49 2.04 -1.06 1.10 117.51 120.13 1wg7 h ILE 116 Ca -0.04 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 1wg7 h ILE 116 Cb 0.50 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1wg7 h ILE 116 CO 0.07 0.00 -0.89 0.74 0.00 0.00 0.00 178.15 178.07 1wg7 h THR 117 N 0.00 0.68 -0.17 -0.27 2.02 -0.10 -3.12 112.91 111.95 1wg7 h THR 117 Ca 0.92 -1.80 0.05 0.00 0.77 0.00 0.00 66.41 66.35 1wg7 h THR 117 Cb 3.67 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 71.60 1wg7 h THR 117 CO -0.04 0.23 -0.26 0.40 0.37 0.00 0.00 175.52 176.22 1wg7 h ILE 118 N -1.00 0.37 0.23 3.11 5.03 0.40 1.51 117.51 127.17 1wg7 h ILE 118 Ca -0.21 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.54 1wg7 h ILE 118 Cb 1.00 0.37 -0.04 0.00 -3.03 0.00 0.00 36.82 35.12 1wg7 h ILE 118 CO -0.13 0.00 -0.46 -0.07 -0.68 0.00 0.00 178.15 176.82 1wg7 h LEU 119 N -0.31 -1.32 -1.11 1.44 4.07 0.78 0.15 115.31 119.01 1wg7 h LEU 119 Ca 0.11 0.13 0.13 0.00 0.08 0.00 0.00 57.88 58.34 1wg7 h LEU 119 Cb 0.48 0.48 -0.08 0.00 1.08 0.00 0.00 40.66 42.62 1wg7 h LEU 119 CO -0.35 -0.55 0.61 0.78 -1.08 0.00 0.00 178.44 177.85 1wg7 h ASN 120 N -0.77 0.82 0.02 -0.43 2.35 -1.35 0.31 115.58 116.54 1wg7 h ASN 120 Ca -0.01 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1wg7 h ASN 120 Cb 0.74 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.95 1wg7 h ASN 120 CO -0.20 0.42 -0.30 0.50 -1.65 0.00 0.00 177.43 176.20 1wg7 h LYS 121 N 0.87 -0.45 -0.45 0.81 1.63 0.37 1.53 116.57 120.89 1wg7 h LYS 121 Ca 0.48 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.26 1wg7 h LYS 121 Cb 0.59 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1wg7 h LYS 121 CO -0.25 -0.30 0.05 0.82 -3.45 0.00 0.00 179.45 176.32 1wg7 h ILE 122 N -0.46 1.22 0.00 2.00 5.03 0.22 0.35 117.51 125.86 1wg7 h ILE 122 Ca 0.06 -0.85 0.00 0.00 -0.12 0.00 0.00 64.86 63.95 1wg7 h ILE 122 Cb 0.54 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 1wg7 h ILE 122 CO -0.24 0.30 0.00 -0.07 -0.68 0.00 0.00 178.15 177.46 1wg7 h LEU 123 N 0.67 0.00 0.00 1.44 4.07 0.10 1.61 115.31 123.21 1wg7 h LEU 123 Ca 0.14 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.91 1wg7 h LEU 123 Cb 0.35 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1wg7 h LEU 123 CO 0.01 0.00 -1.73 0.00 -1.08 0.00 0.00 178.44 175.63 1wg7 n GLN 124 N -2.89 0.64 -0.09 1.13 6.02 0.51 -3.85 117.38 118.85 1wg7 n GLN 124 Ca 0.01 0.12 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 1wg7 n GLN 124 Cb 0.30 -1.70 -0.12 0.00 1.02 0.00 0.00 30.24 29.74 1wg7 n GLN 124 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wg7 n LEU 125 N -2.78 2.12 -0.30 1.08 4.32 0.10 -3.88 117.00 117.67 1wg7 n LEU 125 Ca -0.15 0.33 0.26 0.00 -0.02 0.00 0.00 56.01 56.43 1wg7 n LEU 125 Cb 0.89 -0.98 0.59 0.00 -1.62 0.00 0.00 43.42 42.31 1wg7 n LEU 125 CO 0.43 0.50 1.25 -0.55 -1.22 0.00 0.00 177.39 177.80 1wg7 h ASN 126 N -0.70 0.28 -0.49 -1.43 -1.07 0.21 1.18 115.58 113.57 1wg7 h ASN 126 Ca -0.44 0.05 -0.08 0.00 0.07 0.00 0.00 56.30 55.90 1wg7 h ASN 126 Cb 1.56 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.80 1wg7 h ASN 126 CO -0.17 0.06 0.00 0.15 0.07 0.00 0.00 177.43 177.54 1wg7 h PHE 127 N 0.25 0.94 0.00 4.14 3.04 -1.71 -1.81 116.94 121.78 1wg7 h PHE 127 Ca 0.56 -0.16 -0.14 0.00 3.98 0.00 0.00 57.97 62.20 1wg7 h PHE 127 Cb 1.69 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.93 1wg7 h PHE 127 CO -0.00 0.88 -0.67 0.93 -2.02 0.00 0.00 178.31 177.43 1wg7 h GLU 128 N 0.72 0.00 0.00 1.11 5.08 -0.07 -3.10 114.58 118.32 1wg7 h GLU 128 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1wg7 h GLU 128 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1wg7 h GLU 128 CO 0.02 0.67 -0.24 0.00 -1.00 0.00 0.00 179.01 178.47 1wg7 h ALA 129 N 1.33 1.14 -0.01 3.43 0.00 0.13 -0.02 119.26 125.27 1wg7 h ALA 129 Ca -0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1wg7 h ALA 129 Cb 1.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1wg7 h ALA 129 CO 0.09 0.30 -0.22 0.00 0.00 0.00 0.00 179.25 179.42 1wg7 h ALA 130 N 1.76 0.04 0.00 0.00 0.00 -1.26 -1.41 119.26 118.38 1wg7 h ALA 130 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1wg7 h ALA 130 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wg7 h ALA 130 CO 0.03 0.06 -0.29 0.52 0.00 0.00 0.00 179.25 179.57 1wg7 h MET 131 N -0.50 0.00 -0.04 0.00 2.07 -1.46 -0.07 114.93 114.93 1wg7 h MET 131 Ca -0.03 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.51 1wg7 h MET 131 Cb 0.97 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.70 1wg7 h MET 131 CO 0.04 0.29 -0.34 -0.56 1.07 0.00 0.00 176.91 177.42 1wg7 h GLN 132 N 0.00 0.29 -0.09 1.72 3.07 -1.02 -3.21 115.11 115.88 1wg7 h GLN 132 Ca -0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 58.65 58.40 1wg7 h GLN 132 Cb 0.54 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 1wg7 h GLN 132 CO 0.04 0.94 -0.27 0.93 0.09 0.00 0.00 178.83 180.55 1wg7 h GLU 133 N -0.26 0.16 -0.66 0.06 4.39 -1.06 -2.88 114.58 114.34 1wg7 h GLU 133 Ca -0.03 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.75 1wg7 h GLU 133 Cb 1.02 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.54 1wg7 h GLU 133 CO 0.07 0.43 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.01 1wg7 h LYS 134 N 0.15 0.03 -2.14 2.33 3.64 -1.01 0.51 116.57 120.08 1wg7 h LYS 134 Ca 0.02 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.11 1wg7 h LYS 134 Cb 0.56 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 1wg7 h LYS 134 CO 0.04 0.02 0.29 0.54 -2.27 0.00 0.00 179.45 178.07 1wg7 n ARG 135 N -5.41 2.31 0.00 1.90 3.00 -1.09 -4.35 116.66 113.03 1wg7 n ARG 135 Ca 0.09 -1.34 0.00 0.00 -0.01 0.00 0.00 57.85 56.59 1wg7 n ARG 135 Cb 0.36 -2.13 0.00 0.00 0.00 0.00 0.00 32.46 30.69 1wg7 n ARG 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1wg7 n ASN 136 N 2.45 0.00 0.00 0.55 5.15 0.17 -5.07 115.26 118.51 1wg7 n ASN 136 Ca 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1wg7 n ASN 136 Cb 0.78 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.03 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg7 n GLY 137 N 0.00 2.38 3.87 8.20 0.00 -1.26 -4.89 105.19 113.50 1wg7 n GLY 137 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1wg7 n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wg7 s ASP 138 N 0.00 3.94 0.27 1.61 1.01 -1.26 -4.86 116.67 117.37 1wg7 s ASP 138 Ca 0.00 0.72 0.00 0.00 0.71 0.00 0.00 52.55 53.98 1wg7 s ASP 138 Cb 0.00 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1wg7 s ASP 138 CO 0.00 -2.26 0.00 -1.20 0.21 0.00 0.00 175.17 171.92 1wg7 n SER 139 N -3.54 -8.11 -3.56 0.27 7.64 -1.26 -5.09 113.62 99.97 1wg7 n SER 139 Ca 0.09 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 60.98 1wg7 n SER 139 Cb 0.60 -4.21 -0.05 0.00 -1.01 0.00 0.00 64.21 59.54 1wg7 n SER 139 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1wg7 s HIS 140 N -1.31 -0.48 -0.10 1.43 -3.43 -1.26 -4.99 115.29 105.16 1wg7 s HIS 140 Ca 0.00 0.83 -0.07 0.00 -0.80 0.00 0.00 55.06 55.03 1wg7 s HIS 140 Cb 0.00 0.43 0.03 0.00 -1.43 0.00 0.00 32.58 31.62 1wg7 s HIS 140 CO 0.00 -0.43 0.24 -1.21 -2.00 0.00 0.00 174.74 171.34 1wg7 s GLU 141 N -1.08 0.24 0.00 -0.38 0.41 -1.26 -5.15 118.70 111.48 1wg7 s GLU 141 Ca -0.05 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.94 1wg7 s GLU 141 Cb -0.00 0.00 0.00 0.00 -1.78 0.00 0.00 34.13 32.35 1wg7 s GLU 141 CO 0.04 -0.10 0.00 -3.47 -0.49 0.00 0.00 175.26 171.24 1wg7 n ASP 142 N 3.60 0.00 -3.92 -0.19 -0.08 -1.26 -5.05 116.55 109.64 1wg7 n ASP 142 Ca -0.19 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.00 1wg7 n ASP 142 Cb 0.56 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.97 1wg7 n ASP 142 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wg7 s ASP 143 N 0.00 -0.16 -0.10 1.67 2.15 -1.26 -5.16 116.67 113.81 1wg7 s ASP 143 Ca 0.00 -0.78 0.02 0.00 0.43 0.00 0.00 52.55 52.22 1wg7 s ASP 143 Cb 0.00 0.62 0.01 0.00 -0.30 0.00 0.00 42.92 43.25 1wg7 s ASP 143 CO 0.00 -1.18 -0.16 -0.70 -0.17 0.00 0.00 175.17 172.95 1wg7 s GLU 144 N -3.97 2.30 0.70 4.34 2.12 -1.26 -5.13 118.70 117.80 1wg7 s GLU 144 Ca 0.17 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 1wg7 s GLU 144 Cb -0.02 -1.91 0.10 0.00 0.26 0.00 0.00 34.13 32.55 1wg7 s GLU 144 CO 0.07 -0.02 0.98 -1.12 -0.54 0.00 0.00 175.26 174.63 1wg7 s SER 145 N 0.86 4.53 -0.06 -1.70 0.01 -1.26 -5.11 113.70 110.98 1wg7 s SER 145 Ca -0.09 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 1wg7 s SER 145 Cb -0.15 -0.48 0.03 0.00 0.21 0.00 0.00 66.02 65.63 1wg7 s SER 145 CO 0.00 -1.73 0.03 -0.83 0.41 0.00 0.00 173.24 171.13 1wg7 s GLY 146 N -4.63 0.34 0.87 3.44 0.00 -1.26 -5.15 107.32 100.93 1wg7 s GLY 146 Ca 0.64 0.03 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 1wg7 s GLY 146 CO 0.44 1.28 0.96 -1.55 0.00 0.00 0.00 173.10 174.23 1wg7 n PRO 147 N 5.23 -1.85 -4.52 2.90 -0.04 -1.26 -5.10 135.00 130.36 1wg7 n PRO 147 Ca -0.05 -1.51 -0.24 0.00 -0.04 0.00 0.00 63.50 61.66 1wg7 n PRO 147 Cb 0.50 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.66 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 -4.36 3.12 -0.30 3.54 1.04 -1.26 -5.14 113.70 110.35 1wg7 s SER 148 Ca 0.58 -1.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.65 1wg7 s SER 148 Cb -0.03 -0.24 0.19 0.00 0.10 0.00 0.00 66.02 66.03 1wg7 s SER 148 CO 0.42 -0.46 0.78 -0.55 0.98 0.00 0.00 173.24 174.42 1wg7 s SER 149 N -3.57 -1.06 0.00 7.02 0.15 -1.26 -5.37 113.70 109.61 1wg7 s SER 149 Ca 0.34 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1wg7 s SER 149 Cb 0.08 1.79 0.00 0.00 -1.71 0.00 0.00 66.02 66.18 1wg7 s SER 149 CO 0.16 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.01