#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 -7.87 -3.60 1.61 2.88 -1.26 -5.06 113.62 100.32 1wg7 n SER 2 Ca 0.00 1.07 -0.03 0.00 -1.33 0.00 0.00 58.87 58.58 1wg7 n SER 2 Cb 0.00 -5.04 -0.02 0.00 -0.75 0.00 0.00 64.21 58.41 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg7 s SER 3 N -1.89 -0.13 0.24 -3.46 0.01 -1.26 -5.16 113.70 102.06 1wg7 s SER 3 Ca 0.09 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1wg7 s SER 3 Cb -0.02 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1wg7 s SER 3 CO 0.74 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1wg7 n GLY 4 N -0.23 -1.32 3.65 3.44 0.00 -1.26 -4.99 105.19 104.48 1wg7 n GLY 4 Ca -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 -5.34 -0.27 -0.04 1.61 0.15 -1.26 -5.17 113.70 103.38 1wg7 s SER 5 Ca 0.00 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.14 1wg7 s SER 5 Cb 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1wg7 s SER 5 CO 0.00 -0.07 -0.14 -0.44 1.20 0.00 0.00 173.24 173.79 1wg7 s SER 6 N 0.95 1.76 -0.47 5.45 0.01 -1.26 -5.08 113.70 115.07 1wg7 s SER 6 Ca -0.05 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.98 1wg7 s SER 6 Cb -0.03 -0.53 0.22 0.00 0.21 0.00 0.00 66.02 65.88 1wg7 s SER 6 CO -0.12 0.10 0.51 0.61 0.41 0.00 0.00 173.24 174.75 1wg7 n GLY 7 N 3.29 3.12 2.92 3.44 0.00 -1.26 -5.00 105.19 111.70 1wg7 n GLY 7 Ca -0.19 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 1wg7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg7 n ALA 8 N 1.76 -2.48 -3.54 4.61 0.00 -1.26 -5.04 120.51 114.56 1wg7 n ALA 8 Ca 0.25 0.66 -0.12 0.00 0.00 0.00 0.00 53.44 54.23 1wg7 n ALA 8 Cb 0.48 -1.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.83 -1.84 -0.31 0.00 0.00 -1.26 -5.10 121.76 112.42 1wg7 s ALA 9 Ca -0.06 1.34 -0.34 0.00 0.00 0.00 0.00 51.96 52.90 1wg7 s ALA 9 Cb 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 1wg7 s ALA 9 CO 0.36 -0.42 2.19 -1.13 0.00 0.00 0.00 175.76 176.76 1wg7 n SER 10 N 0.54 2.42 -3.71 0.00 3.41 -1.26 -4.91 113.62 110.12 1wg7 n SER 10 Ca -0.13 0.38 -0.23 0.00 -0.26 0.00 0.00 58.87 58.62 1wg7 n SER 10 Cb 0.59 -1.33 -0.17 0.00 -0.26 0.00 0.00 64.21 63.03 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wg7 s LEU 11 N 7.46 0.50 0.00 1.04 2.96 -1.26 -5.09 118.68 124.28 1wg7 s LEU 11 Ca 1.07 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1wg7 s LEU 11 Cb -0.73 -0.34 0.00 0.00 0.50 0.00 0.00 46.19 45.62 1wg7 s LEU 11 CO 0.46 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 1wg7 n GLY 12 N 5.20 2.00 3.72 7.98 0.00 -1.26 -5.01 105.19 117.83 1wg7 n GLY 12 Ca -0.06 0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1wg7 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg7 s SER 13 N 0.00 -0.33 0.15 1.61 0.01 -1.26 -5.00 113.70 108.88 1wg7 s SER 13 Ca 0.00 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wg7 s SER 13 Cb 0.00 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 1wg7 s SER 13 CO 0.00 -1.23 0.06 -1.10 0.41 0.00 0.00 173.24 171.38 1wg7 s GLN 14 N -3.88 1.01 0.51 12.44 1.11 -1.26 -5.05 119.66 124.54 1wg7 s GLN 14 Ca 0.09 -1.49 0.00 0.00 0.01 0.00 0.00 55.36 53.97 1wg7 s GLN 14 Cb -0.04 0.14 0.00 0.00 -1.01 0.00 0.00 33.01 32.10 1wg7 s GLN 14 CO 0.02 -0.26 0.00 1.63 0.01 0.00 0.00 175.29 176.69 1wg7 n LYS 15 N -0.16 0.00 -1.60 2.91 4.01 -1.26 -4.99 118.16 117.07 1wg7 n LYS 15 Ca -0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.75 1wg7 n LYS 15 Cb 0.64 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.15 1wg7 n LYS 15 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wg7 n GLY 16 N 0.00 -3.76 2.87 0.72 0.00 -1.26 -5.03 105.19 98.73 1wg7 n GLY 16 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.20 -0.84 0.50 -0.02 0.00 -1.26 -5.03 107.32 100.47 1wg7 s GLY 17 Ca -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.21 1wg7 s GLY 17 CO 0.10 3.38 0.04 -0.42 0.00 0.00 0.00 173.10 176.21 1wg7 s ILE 18 N 1.19 1.29 0.00 0.90 1.01 -1.26 -5.15 121.20 119.18 1wg7 s ILE 18 Ca 0.24 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 58.94 1wg7 s ILE 18 Cb -0.03 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1wg7 s ILE 18 CO -0.07 0.00 0.00 1.07 0.00 0.00 0.00 174.94 175.94 1wg7 n THR 19 N -1.29 0.00 0.00 2.92 5.66 -1.26 -4.92 114.28 115.39 1wg7 n THR 19 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1wg7 n THR 19 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 -0.45 0.00 -4.20 1.09 4.81 -1.26 -5.05 118.16 113.10 1wg7 n LYS 20 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.26 1wg7 n LYS 20 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1wg7 n LYS 20 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1wg7 n HIS 21 N -0.93 -0.99 0.00 5.64 1.44 -1.26 -2.55 115.22 116.56 1wg7 n HIS 21 Ca 0.00 -2.72 0.00 0.00 -2.01 0.00 0.00 57.72 52.99 1wg7 n HIS 21 Cb 0.00 0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.48 1wg7 n HIS 21 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wg7 n GLY 22 N -0.63 4.52 3.71 -1.39 0.00 -1.18 -5.02 105.19 105.20 1wg7 n GLY 22 Ca 0.06 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 3.58 0.33 1.61 0.52 -1.26 -2.29 118.94 119.44 1wg7 s TRP 23 Ca 0.00 1.56 0.01 0.00 0.02 0.00 0.00 56.10 57.68 1wg7 s TRP 23 Cb 0.00 -3.23 -0.00 0.00 -1.15 0.00 0.00 33.47 29.09 1wg7 s TRP 23 CO 0.00 -0.47 0.02 1.28 0.02 0.00 0.00 176.95 177.80 1wg7 n LEU 24 N 3.87 0.00 -3.87 2.99 4.77 0.20 -4.67 117.00 120.29 1wg7 n LEU 24 Ca 0.07 -2.16 -0.30 0.00 -0.03 0.00 0.00 56.01 53.59 1wg7 n LEU 24 Cb 0.49 0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.78 1wg7 n LEU 24 CO 0.53 -0.31 -0.28 -0.31 -1.33 0.00 0.00 177.39 175.70 1wg7 s TYR 25 N -2.32 2.75 0.48 -1.77 1.51 0.45 0.47 117.35 118.92 1wg7 s TYR 25 Ca 0.03 -2.63 -0.13 0.00 -1.01 0.00 0.00 57.07 53.33 1wg7 s TYR 25 Cb 0.00 -2.39 -0.07 0.00 -0.11 0.00 0.00 41.96 39.40 1wg7 s TYR 25 CO 0.02 -0.85 0.90 0.21 -1.11 0.00 0.00 175.55 174.73 1wg7 s LYS 26 N 0.65 3.83 -0.00 -0.62 2.20 -1.24 -1.47 119.74 123.09 1wg7 s LYS 26 Ca 0.14 0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 56.42 1wg7 s LYS 26 Cb -0.22 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.89 1wg7 s LYS 26 CO -0.08 -0.21 0.21 0.41 -0.36 0.00 0.00 175.35 175.32 1wg7 n GLY 27 N -1.63 0.62 3.39 5.54 0.00 0.21 -3.24 105.19 110.07 1wg7 n GLY 27 Ca 0.05 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wg7 s ASN 28 N -1.47 3.16 -0.10 1.61 4.22 -1.24 -2.09 114.94 119.05 1wg7 s ASN 28 Ca 0.05 -0.85 -0.10 0.00 -2.14 0.00 0.00 52.86 49.82 1wg7 s ASN 28 Cb -0.00 -0.22 -0.05 0.00 1.28 0.00 0.00 41.25 42.26 1wg7 s ASN 28 CO -0.00 0.08 0.22 -0.04 -2.04 0.00 0.00 177.10 175.32 1wg7 s MET 29 N -2.63 3.68 0.09 3.55 -1.94 -1.26 -4.46 119.30 116.34 1wg7 s MET 29 Ca 0.18 0.03 -0.25 0.00 -1.71 0.00 0.00 55.69 53.94 1wg7 s MET 29 Cb -0.08 -3.23 0.07 0.00 2.01 0.00 0.00 34.83 33.61 1wg7 s MET 29 CO 0.08 0.68 0.64 1.21 -0.01 0.00 0.00 175.02 177.63 1wg7 s ASN 30 N -0.84 -0.58 0.00 3.03 2.47 -1.26 -4.96 114.94 112.80 1wg7 s ASN 30 Ca 0.17 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1wg7 s ASN 30 Cb -0.13 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.24 1wg7 s ASN 30 CO 0.06 -0.85 0.06 -1.54 -3.72 0.00 0.00 177.10 171.11 1wg7 n SER 31 N -0.04 0.00 -4.23 -4.21 3.41 -1.26 -4.55 113.62 102.73 1wg7 n SER 31 Ca -0.17 0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.16 1wg7 n SER 31 Cb 0.63 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.71 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 -2.69 -4.31 -0.08 7.33 0.00 -1.26 -4.88 120.51 114.62 1wg7 n ALA 32 Ca 0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 53.44 52.04 1wg7 n ALA 32 Cb 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 17.93 1wg7 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1wg7 n ILE 33 N -4.01 1.59 0.33 0.00 0.13 -1.26 -3.14 119.36 113.00 1wg7 n ILE 33 Ca 0.01 -0.25 0.19 0.00 -1.10 0.00 0.00 62.75 61.60 1wg7 n ILE 33 Cb 0.63 -1.92 1.01 0.00 -0.84 0.00 0.00 39.64 38.52 1wg7 n ILE 33 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1wg7 h SER 34 N -0.70 0.00 0.48 9.51 0.02 -1.95 0.94 113.55 121.85 1wg7 h SER 34 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wg7 h SER 34 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1wg7 h SER 34 CO -0.17 0.00 -1.26 0.52 -1.14 0.00 0.00 176.83 174.79 1wg7 n VAL 35 N -3.05 0.26 0.34 2.27 0.31 -1.26 -3.87 118.33 113.34 1wg7 n VAL 35 Ca -0.02 -0.39 0.12 0.00 -0.01 0.00 0.00 64.34 64.04 1wg7 n VAL 35 Cb 0.23 0.01 0.24 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.00 -0.25 2.52 1.03 0.94 -3.05 112.91 114.09 1wg7 h THR 36 Ca 0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1wg7 h THR 36 Cb 0.87 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 1wg7 h THR 36 CO 0.00 0.00 0.00 0.23 -0.01 0.00 0.00 175.52 175.74 1wg7 n MET 37 N -2.84 2.38 -0.05 0.00 0.00 -0.74 -3.59 117.12 112.28 1wg7 n MET 37 Ca 0.04 -2.07 -0.00 0.00 0.00 0.00 0.00 57.70 55.67 1wg7 n MET 37 Cb 0.50 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.23 1wg7 n MET 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1wg7 n ARG 38 N 1.34 -0.03 -3.15 0.03 3.00 -1.15 -0.18 116.66 116.52 1wg7 n ARG 38 Ca 0.18 0.19 -0.20 0.00 -0.00 0.00 0.00 57.85 58.01 1wg7 n ARG 38 Cb 0.58 -0.27 -0.04 0.00 0.00 0.00 0.00 32.46 32.73 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wg7 n SER 39 N -4.17 1.53 -4.35 6.15 2.88 -1.26 -5.02 113.62 109.38 1wg7 n SER 39 Ca 0.01 -3.12 -0.45 0.00 -1.33 0.00 0.00 58.87 53.97 1wg7 n SER 39 Cb 0.04 -0.61 -0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1wg7 n SER 39 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1wg7 s PHE 40 N -2.54 4.13 -0.09 0.66 5.36 0.75 -4.22 117.98 122.04 1wg7 s PHE 40 Ca 0.41 -2.53 0.05 0.00 -0.96 0.00 0.00 56.93 53.90 1wg7 s PHE 40 Cb 0.32 -3.87 -0.00 0.00 -0.34 0.00 0.00 43.02 39.13 1wg7 s PHE 40 CO -0.09 -0.99 -0.24 0.15 -1.46 0.00 0.00 175.22 172.58 1wg7 s LYS 41 N -0.81 2.88 0.18 10.12 1.02 -1.20 -4.96 119.74 126.97 1wg7 s LYS 41 Ca 0.29 -0.89 -0.33 0.00 0.02 0.00 0.00 55.97 55.07 1wg7 s LYS 41 Cb -0.10 -2.25 -0.13 0.00 -0.52 0.00 0.00 37.83 34.84 1wg7 s LYS 41 CO -0.08 0.24 1.66 -2.13 -0.92 0.00 0.00 175.35 174.12 1wg7 n ARG 42 N 3.34 2.44 -4.23 1.68 0.63 -1.26 -3.83 116.66 115.43 1wg7 n ARG 42 Ca -0.19 0.88 -0.13 0.00 -0.92 0.00 0.00 57.85 57.49 1wg7 n ARG 42 Cb 0.53 -2.69 -0.10 0.00 0.45 0.00 0.00 32.46 30.65 1wg7 n ARG 42 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1wg7 s ARG 43 N 1.14 1.14 0.25 -0.14 6.06 0.18 -4.93 118.95 122.65 1wg7 s ARG 43 Ca 0.78 -1.57 -0.24 0.00 -2.50 0.00 0.00 55.73 52.20 1wg7 s ARG 43 Cb -0.60 -0.13 -0.09 0.00 0.06 0.00 0.00 34.95 34.19 1wg7 s ARG 43 CO 0.36 -0.21 0.84 0.12 -2.50 0.00 0.00 175.30 173.91 1wg7 s PHE 44 N -3.79 3.74 -0.16 5.12 5.36 -0.92 0.61 117.98 127.96 1wg7 s PHE 44 Ca 0.28 1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 57.86 1wg7 s PHE 44 Cb 0.07 -2.79 0.04 0.00 -0.34 0.00 0.00 43.02 40.00 1wg7 s PHE 44 CO 0.06 0.33 -0.01 -0.06 -1.46 0.00 0.00 175.22 174.08 1wg7 s PHE 45 N -1.46 1.28 -0.19 10.12 0.40 -0.97 -1.08 117.98 126.08 1wg7 s PHE 45 Ca 0.44 -0.83 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1wg7 s PHE 45 Cb -0.19 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.22 1wg7 s PHE 45 CO 0.24 -0.55 -0.12 -1.58 0.70 0.00 0.00 175.22 173.90 1wg7 s HIS 46 N 1.77 2.85 -0.07 0.36 5.65 0.18 -3.08 115.29 122.95 1wg7 s HIS 46 Ca 0.01 -1.13 -0.24 0.00 0.25 0.00 0.00 55.06 53.95 1wg7 s HIS 46 Cb -0.15 -1.98 -0.03 0.00 -1.18 0.00 0.00 32.58 29.23 1wg7 s HIS 46 CO -0.07 -0.57 0.75 -1.17 -0.65 0.00 0.00 174.74 173.03 1wg7 s LEU 47 N 1.17 4.30 0.04 8.88 2.96 -1.06 -1.95 118.68 133.03 1wg7 s LEU 47 Ca 0.01 1.24 0.03 0.00 -0.22 0.00 0.00 54.13 55.19 1wg7 s LEU 47 Cb -0.14 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 1wg7 s LEU 47 CO -0.04 -0.17 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.21 1wg7 s ILE 48 N 1.02 0.64 0.04 6.68 2.07 -0.69 -4.57 121.20 126.38 1wg7 s ILE 48 Ca 0.39 -1.04 -0.21 0.00 -1.41 0.00 0.00 60.65 58.39 1wg7 s ILE 48 Cb -0.18 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.68 1wg7 s ILE 48 CO 0.19 -0.30 0.62 -1.58 -1.91 0.00 0.00 174.94 171.95 1wg7 s GLN 49 N -1.46 4.32 0.17 3.50 0.74 -1.26 -0.38 119.66 125.29 1wg7 s GLN 49 Ca -0.07 0.81 -0.02 0.00 0.05 0.00 0.00 55.36 56.12 1wg7 s GLN 49 Cb -0.09 -3.31 0.04 0.00 1.10 0.00 0.00 33.01 30.75 1wg7 s GLN 49 CO 0.01 0.46 0.09 1.28 -0.55 0.00 0.00 175.29 176.57 1wg7 n LEU 50 N 2.34 0.00 -0.19 3.68 7.99 0.23 -4.65 117.00 126.40 1wg7 n LEU 50 Ca -0.07 -0.09 0.03 0.00 -0.01 0.00 0.00 56.01 55.86 1wg7 n LEU 50 Cb 0.51 -0.12 0.06 0.00 -0.11 0.00 0.00 43.42 43.76 1wg7 n LEU 50 CO 0.43 -1.52 0.34 0.61 -1.51 0.00 0.00 177.39 175.75 1wg7 n GLY 51 N -0.45 -0.93 0.00 -0.72 0.00 -1.26 -4.08 105.19 97.75 1wg7 n GLY 51 Ca 0.01 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.85 0.00 0.00 1.61 -0.08 -1.26 -5.09 116.55 106.87 1wg7 n ASP 52 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1wg7 n ASP 52 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 -1.88 3.42 0.27 0.00 -1.26 -4.24 105.19 101.49 1wg7 n GLY 53 Ca 0.00 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 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 0.13 0.35 1.61 0.01 -1.26 -4.64 113.70 105.89 1wg7 s SER 54 Ca 0.00 1.19 0.07 0.00 1.31 0.00 0.00 55.95 58.52 1wg7 s SER 54 Cb 0.00 -1.80 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 1wg7 s SER 54 CO 0.00 -4.68 -0.03 -0.31 0.41 0.00 0.00 173.24 168.63 1wg7 s TYR 55 N -2.42 2.32 -0.21 2.43 1.51 -1.26 0.77 117.35 120.49 1wg7 s TYR 55 Ca 0.69 -0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 55.99 1wg7 s TYR 55 Cb -0.20 -1.47 0.07 0.00 -0.11 0.00 0.00 41.96 40.26 1wg7 s TYR 55 CO 0.62 0.42 0.51 -0.80 -1.11 0.00 0.00 175.55 175.19 1wg7 s ASN 56 N -3.60 -0.66 -0.38 2.29 -0.87 0.48 -3.66 114.94 108.55 1wg7 s ASN 56 Ca 0.33 1.13 -0.18 0.00 -1.57 0.00 0.00 52.86 52.57 1wg7 s ASN 56 Cb 0.06 1.09 0.00 0.00 -0.02 0.00 0.00 41.25 42.39 1wg7 s ASN 56 CO 0.16 -0.21 0.52 -0.22 -2.57 0.00 0.00 177.10 174.77 1wg7 s LEU 57 N 1.66 4.46 -0.02 0.60 2.96 -1.18 -1.70 118.68 125.45 1wg7 s LEU 57 Ca -0.09 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1wg7 s LEU 57 Cb -0.08 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1wg7 s LEU 57 CO -0.15 -0.54 -0.15 0.20 -1.32 0.00 0.00 176.35 174.39 1wg7 s ASN 58 N 1.81 4.00 0.10 3.68 0.01 -0.82 -0.93 114.94 122.78 1wg7 s ASN 58 Ca 0.18 -0.25 0.09 0.00 -0.71 0.00 0.00 52.86 52.17 1wg7 s ASN 58 Cb -0.16 -0.80 -0.03 0.00 0.41 0.00 0.00 41.25 40.67 1wg7 s ASN 58 CO 0.14 0.32 -0.22 0.72 -1.51 0.00 0.00 177.10 176.55 1wg7 s PHE 59 N -0.80 1.93 0.37 2.20 -0.71 -0.96 0.48 117.98 120.49 1wg7 s PHE 59 Ca 0.13 -0.40 0.04 0.00 -1.04 0.00 0.00 56.93 55.66 1wg7 s PHE 59 Cb -0.11 -1.07 -0.06 0.00 -1.21 0.00 0.00 43.02 40.57 1wg7 s PHE 59 CO 0.02 0.22 0.05 0.71 -1.34 0.00 0.00 175.22 174.88 1wg7 s TYR 60 N -1.07 2.08 0.06 3.49 1.51 -0.24 0.15 117.35 123.34 1wg7 s TYR 60 Ca 0.09 -0.92 0.27 0.00 -1.01 0.00 0.00 57.07 55.49 1wg7 s TYR 60 Cb -0.10 -1.42 0.98 0.00 -0.11 0.00 0.00 41.96 41.32 1wg7 s TYR 60 CO 0.04 0.10 1.85 1.57 -1.11 0.00 0.00 175.55 178.00 1wg7 h LYS 61 N 1.94 0.00 0.00 -0.62 2.10 -1.91 -2.43 116.57 115.65 1wg7 h LYS 61 Ca -0.41 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 57.95 1wg7 h LYS 61 Cb 1.25 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.51 1wg7 h LYS 61 CO 0.72 0.14 -0.15 -0.40 -2.00 0.00 0.00 179.45 177.75 1wg7 n ASP 62 N -3.26 -1.39 0.04 7.07 5.68 -1.26 -4.71 116.55 118.71 1wg7 n ASP 62 Ca 0.01 -2.95 -0.03 0.00 -0.50 0.00 0.00 54.79 51.32 1wg7 n ASP 62 Cb 0.41 2.60 0.21 0.00 -1.14 0.00 0.00 41.12 43.20 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1wg7 h GLU 63 N 0.00 0.40 -5.42 0.11 5.08 -1.97 -3.39 114.58 109.38 1wg7 h GLU 63 Ca -0.28 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 57.82 1wg7 h GLU 63 Cb 1.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1wg7 h GLU 63 CO 0.38 0.66 0.26 0.15 -1.00 0.00 0.00 179.01 179.46 1wg7 s LYS 64 N -4.40 1.84 0.00 2.33 1.02 -1.26 -4.86 119.74 114.41 1wg7 s LYS 64 Ca -0.06 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1wg7 s LYS 64 Cb 0.14 -4.90 0.00 0.00 -0.52 0.00 0.00 37.83 32.54 1wg7 s LYS 64 CO 0.78 -4.28 0.00 0.44 -0.92 0.00 0.00 175.35 171.38 1wg7 n ILE 65 N 8.54 0.00 0.00 2.17 -5.35 -1.26 -4.63 119.36 118.83 1wg7 n ILE 65 Ca 0.44 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.92 1wg7 n ILE 65 Cb 0.45 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 -2.89 7.28 2.88 -1.26 -4.89 113.62 114.74 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 -0.91 -2.34 -1.46 5.02 -1.26 -4.90 118.16 112.30 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 -2.41 4.31 0.58 1.97 2.02 -1.26 -5.00 118.70 118.90 1wg7 s GLU 68 Ca 0.00 1.82 -0.16 0.00 0.02 0.00 0.00 54.97 56.65 1wg7 s GLU 68 Cb 0.00 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1wg7 s GLU 68 CO 0.00 -0.54 1.05 -1.25 0.02 0.00 0.00 175.26 174.54 1wg7 s PRO 69 N 2.45 3.43 0.43 0.39 0.04 -1.26 -4.93 135.00 135.55 1wg7 s PRO 69 Ca 0.60 1.19 0.10 0.00 0.04 0.00 0.00 61.00 62.92 1wg7 s PRO 69 Cb -0.28 -2.05 0.95 0.00 0.04 0.00 0.00 34.50 33.16 1wg7 s PRO 69 CO 0.24 -0.72 2.06 0.87 0.04 0.00 0.00 177.00 179.48 1wg7 h LYS 70 N 0.58 0.44 -1.22 4.56 1.79 -0.63 -3.46 116.57 118.63 1wg7 h LYS 70 Ca -0.47 -0.03 0.29 0.00 -2.18 0.00 0.00 60.65 58.27 1wg7 h LYS 70 Cb 1.22 -0.10 -0.21 0.00 -1.58 0.00 0.00 32.23 31.56 1wg7 h LYS 70 CO 0.58 0.29 0.91 0.20 -1.08 0.00 0.00 179.45 180.35 1wg7 s GLY 71 N -3.76 -0.21 0.12 3.86 0.00 -1.22 -5.03 107.32 101.07 1wg7 s GLY 71 Ca -0.08 1.86 0.08 0.00 0.00 0.00 0.00 44.72 46.59 1wg7 s GLY 71 CO 0.73 0.64 -0.20 -1.35 0.00 0.00 0.00 173.10 172.92 1wg7 s SER 72 N -2.00 2.51 -0.13 1.64 1.04 -1.26 -2.26 113.70 113.25 1wg7 s SER 72 Ca 0.10 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 1wg7 s SER 72 Cb -0.01 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1wg7 s SER 72 CO -0.04 0.02 -0.10 -0.63 0.98 0.00 0.00 173.24 173.48 1wg7 s ILE 73 N -1.40 3.32 -1.20 -1.02 1.01 -0.11 -4.98 121.20 116.82 1wg7 s ILE 73 Ca 0.08 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 1wg7 s ILE 73 Cb -0.09 -2.41 0.14 0.00 0.01 0.00 0.00 42.46 40.11 1wg7 s ILE 73 CO 0.05 0.52 1.49 -0.36 0.00 0.00 0.00 174.94 176.64 1wg7 s PHE 74 N 0.22 3.26 0.66 3.97 0.08 -1.26 -3.13 117.98 121.78 1wg7 s PHE 74 Ca -0.06 -1.91 0.31 0.00 0.12 0.00 0.00 56.93 55.38 1wg7 s PHE 74 Cb -0.15 -4.44 1.70 0.00 -0.57 0.00 0.00 43.02 39.56 1wg7 s PHE 74 CO 0.04 -1.53 1.96 -0.07 -0.10 0.00 0.00 175.22 175.53 1wg7 h LEU 75 N 10.59 0.00 -1.27 -0.37 4.07 -1.93 1.53 115.31 127.93 1wg7 h LEU 75 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1wg7 h LEU 75 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1wg7 h LEU 75 CO 1.30 0.00 0.00 -0.78 -1.08 0.00 0.00 178.44 177.88 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 1.82 -1.87 -3.10 116.42 112.84 1wg7 h ASP 76 Ca 0.01 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.45 1wg7 h ASP 76 Cb 0.62 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 1wg7 h ASP 76 CO -0.00 0.00 -1.78 -1.20 -1.61 0.00 0.00 179.24 174.65 1wg7 n SER 77 N -3.06 2.17 -4.54 2.28 7.64 0.49 -5.00 113.62 113.60 1wg7 n SER 77 Ca 0.01 0.00 -0.56 0.00 1.01 0.00 0.00 58.87 59.33 1wg7 n SER 77 Cb 0.33 0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 64.28 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 3.69 0.14 0.00 0.00 0.00 0.20 -3.46 114.93 115.49 1wg7 h MET 79 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 59.70 58.97 1wg7 h MET 79 Cb 1.39 0.09 0.00 0.00 0.00 0.00 0.00 31.60 33.07 1wg7 h MET 79 CO 0.71 0.86 0.00 0.41 0.00 0.00 0.00 176.91 178.89 1wg7 n GLY 80 N 1.75 1.89 3.83 8.32 0.00 -1.13 -4.99 105.19 114.86 1wg7 n GLY 80 Ca -0.23 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 5.42 0.33 1.61 1.01 -1.26 -1.28 120.40 124.23 1wg7 s VAL 81 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.37 1wg7 s VAL 81 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1wg7 s VAL 81 CO 0.00 0.56 0.04 0.68 0.00 0.00 0.00 175.10 176.37 1wg7 s VAL 82 N -0.60 2.76 -0.20 2.92 -7.23 0.16 -4.97 120.40 113.23 1wg7 s VAL 82 Ca 0.15 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.31 1wg7 s VAL 82 Cb -0.12 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1wg7 s VAL 82 CO 0.04 -0.21 0.10 -1.10 -0.31 0.00 0.00 175.10 173.62 1wg7 s GLN 83 N -3.74 4.04 -0.31 4.82 -0.21 -1.26 -1.90 119.66 121.10 1wg7 s GLN 83 Ca 0.35 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.44 1wg7 s GLN 83 Cb -0.01 -3.35 0.09 0.00 1.00 0.00 0.00 33.01 30.74 1wg7 s GLN 83 CO 0.20 0.21 0.06 1.21 -2.12 0.00 0.00 175.29 174.85 1wg7 s ASN 84 N 0.59 4.25 -0.19 5.90 2.47 0.47 -4.86 114.94 123.56 1wg7 s ASN 84 Ca 0.06 -1.75 0.13 0.00 0.42 0.00 0.00 52.86 51.72 1wg7 s ASN 84 Cb -0.12 -1.16 0.72 0.00 -1.45 0.00 0.00 41.25 39.23 1wg7 s ASN 84 CO 0.01 -0.38 1.60 -3.20 -3.72 0.00 0.00 177.10 171.41 1wg7 n ASN 85 N 4.62 5.08 -0.07 -4.21 2.85 -1.26 -2.73 115.26 119.54 1wg7 n ASN 85 Ca -0.01 -2.76 -0.05 0.00 -0.11 0.00 0.00 54.58 51.65 1wg7 n ASN 85 Cb 0.42 -0.65 -0.03 0.00 1.24 0.00 0.00 39.78 40.77 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1wg7 h LYS 86 N 3.59 0.00 0.00 1.20 6.56 -1.92 -3.44 116.57 122.56 1wg7 h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wg7 h LYS 86 Cb 1.74 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.40 1wg7 h LYS 86 CO 0.40 0.18 0.00 0.28 -2.06 0.00 0.00 179.45 178.25 1wg7 n VAL 87 N -4.66 0.00 -4.15 0.50 0.31 -1.26 -4.89 118.33 104.18 1wg7 n VAL 87 Ca -0.07 0.62 -0.28 0.00 -0.01 0.00 0.00 64.34 64.59 1wg7 n VAL 87 Cb 0.22 -1.34 -0.08 0.00 -0.91 0.00 0.00 33.84 31.74 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wg7 s ARG 88 N -0.52 2.52 0.62 5.55 3.00 -1.26 -4.98 118.95 123.88 1wg7 s ARG 88 Ca 0.00 -0.94 0.27 0.00 0.00 0.00 0.00 55.73 55.06 1wg7 s ARG 88 Cb 0.00 -2.48 1.34 0.00 0.00 0.00 0.00 34.95 33.81 1wg7 s ARG 88 CO 0.00 0.50 1.76 0.00 0.00 0.00 0.00 175.30 177.56 1wg7 h ARG 89 N 3.08 0.00 -2.10 3.54 2.47 -1.86 -2.54 114.38 116.97 1wg7 h ARG 89 Ca -0.48 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.67 1wg7 h ARG 89 Cb 1.18 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.11 1wg7 h ARG 89 CO 0.59 0.00 -0.98 1.19 0.56 0.00 0.00 179.97 181.33 1wg7 n PHE 90 N -3.34 0.49 -4.74 3.04 3.72 -1.26 -4.81 117.46 110.55 1wg7 n PHE 90 Ca 0.07 -3.68 -0.27 0.00 -0.05 0.00 0.00 57.45 53.53 1wg7 n PHE 90 Cb 0.73 -0.35 -0.17 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.35 1.49 0.01 4.37 0.00 -0.96 -1.42 121.76 123.91 1wg7 s ALA 91 Ca 0.36 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.83 1wg7 s ALA 91 Cb 0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1wg7 s ALA 91 CO -0.10 0.15 -0.20 -0.59 0.00 0.00 0.00 175.76 175.02 1wg7 s PHE 92 N 0.59 1.81 -0.04 0.00 -0.71 0.17 0.18 117.98 119.97 1wg7 s PHE 92 Ca -0.16 -0.36 -0.05 0.00 -1.04 0.00 0.00 56.93 55.33 1wg7 s PHE 92 Cb -0.16 -1.13 -0.04 0.00 -1.21 0.00 0.00 43.02 40.48 1wg7 s PHE 92 CO 0.05 0.02 0.19 -2.00 -1.34 0.00 0.00 175.22 172.14 1wg7 s GLU 93 N -0.77 3.48 -0.49 1.99 2.12 -0.80 -0.28 118.70 123.94 1wg7 s GLU 93 Ca 0.08 -0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.05 1wg7 s GLU 93 Cb -0.08 -3.13 0.09 0.00 0.26 0.00 0.00 34.13 31.27 1wg7 s GLU 93 CO 0.00 0.70 0.44 -0.51 -0.54 0.00 0.00 175.26 175.36 1wg7 s LEU 94 N -1.59 5.71 -0.58 2.70 2.01 0.56 -0.66 118.68 126.82 1wg7 s LEU 94 Ca 0.23 -1.41 -0.27 0.00 0.01 0.00 0.00 54.13 52.69 1wg7 s LEU 94 Cb -0.13 -2.21 0.01 0.00 0.01 0.00 0.00 46.19 43.87 1wg7 s LEU 94 CO 0.13 -0.72 1.50 -0.54 1.01 0.00 0.00 176.35 177.74 1wg7 s LYS 95 N 1.72 3.16 0.46 1.70 -0.14 -0.40 -2.88 119.74 123.35 1wg7 s LYS 95 Ca 0.05 0.45 0.02 0.00 -1.36 0.00 0.00 55.97 55.12 1wg7 s LYS 95 Cb -0.25 -4.19 0.01 0.00 -1.68 0.00 0.00 37.83 31.72 1wg7 s LYS 95 CO 0.06 -2.11 0.66 -1.64 -0.76 0.00 0.00 175.35 171.56 1wg7 s MET 96 N 5.84 2.92 0.02 1.68 -1.94 -0.59 0.20 119.30 127.43 1wg7 s MET 96 Ca 0.54 -0.70 0.22 0.00 -1.71 0.00 0.00 55.69 54.05 1wg7 s MET 96 Cb -0.11 -2.59 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 1wg7 s MET 96 CO 0.23 -0.34 0.98 0.00 -0.01 0.00 0.00 175.02 175.88 1wg7 n GLN 97 N -2.06 0.18 -1.01 2.03 10.64 -1.10 -4.26 117.38 121.79 1wg7 n GLN 97 Ca 0.03 -0.02 -0.16 0.00 -1.83 0.00 0.00 57.00 55.02 1wg7 n GLN 97 Cb 0.58 -1.54 -0.02 0.00 -0.86 0.00 0.00 30.24 28.41 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 -1.76 6.17 -3.95 2.61 2.03 -1.26 -4.80 116.55 115.58 1wg7 n ASP 98 Ca 0.03 -2.94 -0.36 0.00 0.52 0.00 0.00 54.79 52.03 1wg7 n ASP 98 Cb 0.40 -1.16 0.01 0.00 -0.72 0.00 0.00 41.12 39.65 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 0.91 -0.86 -3.63 -0.67 4.76 -1.26 -4.92 118.16 112.49 1wg7 n LYS 99 Ca 0.32 0.39 -0.02 0.00 -2.87 0.00 0.00 58.31 56.14 1wg7 n LYS 99 Cb 0.60 -2.30 -0.01 0.00 -1.84 0.00 0.00 35.03 31.48 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wg7 s SER 100 N -3.26 -0.13 -0.26 4.39 0.01 -1.26 -5.09 113.70 108.10 1wg7 s SER 100 Ca 0.25 -0.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.11 1wg7 s SER 100 Cb -0.14 0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.43 1wg7 s SER 100 CO 0.93 -0.43 0.85 -0.94 0.41 0.00 0.00 173.24 174.06 1wg7 s SER 101 N -2.73 -0.62 -0.11 2.44 1.04 -1.26 -1.53 113.70 110.94 1wg7 s SER 101 Ca 0.12 1.15 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 1wg7 s SER 101 Cb 0.02 1.15 -0.04 0.00 0.10 0.00 0.00 66.02 67.25 1wg7 s SER 101 CO -0.03 -0.24 0.04 -0.31 0.98 0.00 0.00 173.24 173.68 1wg7 s TYR 102 N 0.17 3.27 -0.63 5.02 2.02 -1.14 -4.74 117.35 121.32 1wg7 s TYR 102 Ca 0.01 0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.76 1wg7 s TYR 102 Cb -0.05 -1.87 0.12 0.00 -0.40 0.00 0.00 41.96 39.77 1wg7 s TYR 102 CO -0.01 0.48 0.72 -1.17 -1.57 0.00 0.00 175.55 174.00 1wg7 s LEU 103 N -0.72 5.53 0.27 -1.29 0.20 -0.89 -0.32 118.68 121.47 1wg7 s LEU 103 Ca 0.12 -1.60 0.04 0.00 0.69 0.00 0.00 54.13 53.38 1wg7 s LEU 103 Cb -0.12 -2.29 -0.03 0.00 -0.43 0.00 0.00 46.19 43.32 1wg7 s LEU 103 CO 0.02 -1.05 0.41 -0.76 -0.29 0.00 0.00 176.35 174.68 1wg7 s LEU 104 N 2.42 4.23 -0.18 -0.68 1.43 0.62 -0.62 118.68 125.89 1wg7 s LEU 104 Ca 0.13 0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.12 1wg7 s LEU 104 Cb -0.22 -2.98 0.09 0.00 0.03 0.00 0.00 46.19 43.10 1wg7 s LEU 104 CO 0.04 -0.13 0.81 0.00 0.23 0.00 0.00 176.35 177.29 1wg7 s ALA 105 N -2.07 -1.84 0.55 4.21 0.00 -0.54 0.43 121.76 122.50 1wg7 s ALA 105 Ca 0.36 1.70 0.05 0.00 0.00 0.00 0.00 51.96 54.07 1wg7 s ALA 105 Cb -0.09 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.29 1wg7 s ALA 105 CO 0.31 -0.32 0.35 0.00 0.00 0.00 0.00 175.76 176.10 1wg7 s ALA 106 N -0.39 4.43 -0.02 0.00 0.00 -0.51 0.17 121.76 125.44 1wg7 s ALA 106 Ca -0.03 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1wg7 s ALA 106 Cb -0.03 -0.62 -0.32 0.00 0.00 0.00 0.00 23.12 22.15 1wg7 s ALA 106 CO 0.03 -0.40 0.80 0.22 0.00 0.00 0.00 175.76 176.41 1wg7 h ASP 107 N 0.81 0.66 -3.18 0.00 3.58 -1.87 -3.44 116.42 112.98 1wg7 h ASP 107 Ca -0.38 -0.87 -0.52 0.00 0.42 0.00 0.00 57.03 55.69 1wg7 h ASP 107 Cb 1.31 -0.22 -0.16 0.00 1.72 0.00 0.00 39.33 41.98 1wg7 h ASP 107 CO 0.59 1.72 -0.76 -0.44 -2.88 0.00 0.00 179.24 177.47 1wg7 s SER 108 N -7.35 2.83 0.23 2.28 0.01 -1.26 -4.97 113.70 105.47 1wg7 s SER 108 Ca -0.13 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 1wg7 s SER 108 Cb 0.05 -0.18 0.37 0.00 0.21 0.00 0.00 66.02 66.47 1wg7 s SER 108 CO 0.88 -0.06 1.66 1.05 0.41 0.00 0.00 173.24 177.17 1wg7 h GLU 109 N 2.83 0.13 0.09 12.44 9.09 -1.94 0.12 114.58 137.34 1wg7 h GLU 109 Ca -0.40 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.00 1wg7 h GLU 109 Cb 1.22 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 1wg7 h GLU 109 CO 0.56 0.08 -0.14 -0.24 0.05 0.00 0.00 179.01 179.33 1wg7 h VAL 110 N 0.13 0.00 -0.77 -1.06 3.04 -1.97 1.36 116.25 116.98 1wg7 h VAL 110 Ca 0.37 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 66.28 1wg7 h VAL 110 Cb 0.62 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.87 1wg7 h VAL 110 CO -0.58 0.00 0.90 -0.33 -1.01 0.00 0.00 177.57 176.55 1wg7 h GLU 111 N -0.24 0.00 0.08 4.17 5.08 -1.81 1.88 114.58 123.74 1wg7 h GLU 111 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1wg7 h GLU 111 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wg7 h GLU 111 CO -0.04 0.00 -1.61 1.98 -1.00 0.00 0.00 179.01 178.34 1wg7 h MET 112 N 0.00 0.17 0.19 2.33 4.05 0.11 -3.31 114.93 118.48 1wg7 h MET 112 Ca 0.37 -0.30 -0.32 0.00 -0.28 0.00 0.00 59.70 59.17 1wg7 h MET 112 Cb 2.16 0.11 0.03 0.00 -0.80 0.00 0.00 31.60 33.10 1wg7 h MET 112 CO -0.00 0.97 -1.37 1.05 0.23 0.00 0.00 176.91 177.79 1wg7 h GLU 113 N 0.05 0.53 -0.35 0.39 4.11 1.25 -2.87 114.58 117.68 1wg7 h GLU 113 Ca -0.27 -0.83 0.08 0.00 0.07 0.00 0.00 59.36 58.41 1wg7 h GLU 113 Cb 2.00 0.30 -0.08 0.00 0.50 0.00 0.00 28.75 31.47 1wg7 h GLU 113 CO 0.13 1.39 -0.22 0.93 0.07 0.00 0.00 179.01 181.31 1wg7 h GLU 114 N 0.18 -0.16 0.10 1.06 5.08 0.12 0.14 114.58 121.10 1wg7 h GLU 114 Ca -0.22 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1wg7 h GLU 114 Cb 2.06 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1wg7 h GLU 114 CO 0.25 -0.11 -0.05 -1.49 -1.00 0.00 0.00 179.01 176.62 1wg7 h TRP 115 N -0.17 -0.12 -0.48 4.33 4.06 -1.66 0.18 115.95 122.08 1wg7 h TRP 115 Ca 0.18 -0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.26 1wg7 h TRP 115 Cb 0.44 0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 1wg7 h TRP 115 CO -0.43 0.01 0.70 0.82 -3.56 0.00 0.00 178.44 175.99 1wg7 h ILE 116 N -0.23 0.16 0.09 1.49 2.04 -1.02 0.64 117.51 120.68 1wg7 h ILE 116 Ca -0.01 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.53 1wg7 h ILE 116 Cb 0.19 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1wg7 h ILE 116 CO 0.02 0.00 -1.70 0.74 0.00 0.00 0.00 178.15 177.22 1wg7 h THR 117 N 0.00 0.78 0.74 -0.27 2.02 0.77 -3.08 112.91 113.86 1wg7 h THR 117 Ca 0.23 -2.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.06 1wg7 h THR 117 Cb 1.63 2.47 0.01 0.00 -1.74 0.00 0.00 68.15 70.52 1wg7 h THR 117 CO -0.00 0.71 -0.36 0.40 0.37 0.00 0.00 175.52 176.64 1wg7 h ILE 118 N -0.28 0.00 -0.59 3.11 5.03 0.30 1.44 117.51 126.51 1wg7 h ILE 118 Ca -0.38 -0.03 0.12 0.00 -0.12 0.00 0.00 64.86 64.45 1wg7 h ILE 118 Cb 1.79 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 35.49 1wg7 h ILE 118 CO 0.00 0.00 0.06 -0.07 -0.68 0.00 0.00 178.15 177.47 1wg7 h LEU 119 N -1.02 -0.13 -1.32 1.44 3.38 -0.67 0.48 115.31 117.47 1wg7 h LEU 119 Ca -0.10 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wg7 h LEU 119 Cb 0.76 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1wg7 h LEU 119 CO 0.17 -0.05 0.00 0.78 0.09 0.00 0.00 178.44 179.43 1wg7 h ASN 120 N 0.18 0.42 0.46 -0.43 2.35 -1.43 0.14 115.58 117.28 1wg7 h ASN 120 Ca 0.31 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1wg7 h ASN 120 Cb 0.47 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1wg7 h ASN 120 CO -0.45 0.49 -0.34 0.11 -1.65 0.00 0.00 177.43 175.59 1wg7 h LYS 121 N 0.44 -0.74 -0.65 0.81 1.57 0.68 1.64 116.57 120.33 1wg7 h LYS 121 Ca 0.10 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1wg7 h LYS 121 Cb 0.29 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1wg7 h LYS 121 CO 0.01 -0.49 0.43 0.82 -0.57 0.00 0.00 179.45 179.64 1wg7 h ILE 122 N -0.76 1.14 0.36 1.86 5.03 -1.07 1.54 117.51 125.61 1wg7 h ILE 122 Ca -0.06 -0.29 -0.02 0.00 -0.12 0.00 0.00 64.86 64.38 1wg7 h ILE 122 Cb 0.63 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.65 1wg7 h ILE 122 CO 0.02 0.15 -0.17 -0.07 -0.68 0.00 0.00 178.15 177.40 1wg7 h LEU 123 N 0.83 -0.41 -0.41 1.44 4.07 -0.22 1.37 115.31 121.98 1wg7 h LEU 123 Ca 0.25 -0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.05 1wg7 h LEU 123 Cb -0.03 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1wg7 h LEU 123 CO -0.06 -0.21 -0.14 1.56 -1.08 0.00 0.00 178.44 178.51 1wg7 h GLN 124 N -0.59 0.81 -0.09 1.13 1.08 0.30 -2.66 115.11 115.09 1wg7 h GLN 124 Ca -0.05 -0.33 -0.06 0.00 -1.45 0.00 0.00 58.65 56.75 1wg7 h GLN 124 Cb 0.44 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1wg7 h GLN 124 CO 0.08 0.96 -0.24 -0.07 -0.95 0.00 0.00 178.83 178.61 1wg7 h LEU 125 N 0.63 0.15 -1.52 1.46 4.07 0.23 -1.77 115.31 118.56 1wg7 h LEU 125 Ca 0.10 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1wg7 h LEU 125 Cb 0.68 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1wg7 h LEU 125 CO 0.05 0.40 0.26 0.78 -1.08 0.00 0.00 178.44 178.85 1wg7 h ASN 126 N 0.15 0.51 -0.47 -0.43 2.35 0.22 0.74 115.58 118.65 1wg7 h ASN 126 Ca 0.02 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1wg7 h ASN 126 Cb 0.51 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1wg7 h ASN 126 CO 0.04 0.40 -0.20 0.15 -1.65 0.00 0.00 177.43 176.16 1wg7 h PHE 127 N 0.60 1.11 0.00 1.19 3.04 -1.15 -1.44 116.94 120.29 1wg7 h PHE 127 Ca 0.16 -0.27 -0.10 0.00 3.98 0.00 0.00 57.97 61.74 1wg7 h PHE 127 Cb -0.02 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1wg7 h PHE 127 CO 0.00 1.08 -0.46 0.93 -2.02 0.00 0.00 178.31 177.85 1wg7 h GLU 128 N 0.82 0.00 -0.31 1.11 5.08 -1.16 -3.21 114.58 116.90 1wg7 h GLU 128 Ca 0.11 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1wg7 h GLU 128 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1wg7 h GLU 128 CO 0.06 0.46 -0.42 0.00 -1.00 0.00 0.00 179.01 178.11 1wg7 h ALA 129 N 1.54 0.47 0.04 3.43 0.00 0.66 -2.05 119.26 123.36 1wg7 h ALA 129 Ca -0.00 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1wg7 h ALA 129 Cb 1.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1wg7 h ALA 129 CO 0.06 0.59 -0.26 0.00 0.00 0.00 0.00 179.25 179.64 1wg7 h ALA 130 N 0.70 -0.38 0.00 0.00 0.00 -1.27 0.48 119.26 118.79 1wg7 h ALA 130 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wg7 h ALA 130 Cb 1.02 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wg7 h ALA 130 CO 0.10 -0.77 -0.05 0.52 0.00 0.00 0.00 179.25 179.05 1wg7 h MET 131 N -0.42 0.00 0.08 0.00 2.07 -1.58 0.16 114.93 115.24 1wg7 h MET 131 Ca 0.05 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.42 1wg7 h MET 131 Cb 0.48 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.22 1wg7 h MET 131 CO -0.20 0.05 -1.13 1.96 1.07 0.00 0.00 176.91 178.66 1wg7 h GLN 132 N 0.00 0.37 0.02 1.72 1.08 -0.15 -3.26 115.11 114.89 1wg7 h GLN 132 Ca -0.00 -0.51 -0.21 0.00 -1.45 0.00 0.00 58.65 56.48 1wg7 h GLN 132 Cb 0.15 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1wg7 h GLN 132 CO 0.01 1.20 -0.96 1.05 -0.95 0.00 0.00 178.83 179.17 1wg7 h GLU 133 N 0.16 0.08 -0.56 1.46 4.11 0.95 -3.28 114.58 117.50 1wg7 h GLU 133 Ca -0.12 -0.11 0.11 0.00 0.07 0.00 0.00 59.36 59.31 1wg7 h GLU 133 Cb 1.81 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.99 1wg7 h GLU 133 CO 0.19 0.97 -0.15 0.87 0.07 0.00 0.00 179.01 180.97 1wg7 h LYS 134 N 0.03 -0.01 -2.17 1.06 1.57 -0.77 -1.45 116.57 114.84 1wg7 h LYS 134 Ca -0.03 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.99 1wg7 h LYS 134 Cb 1.66 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.67 1wg7 h LYS 134 CO 0.14 -0.01 0.66 0.54 -0.57 0.00 0.00 179.45 180.21 1wg7 n ARG 135 N -5.40 4.43 -3.29 3.15 5.12 -1.24 -4.85 116.66 114.59 1wg7 n ARG 135 Ca 0.06 -4.47 -0.07 0.00 -1.93 0.00 0.00 57.85 51.44 1wg7 n ARG 135 Cb 0.30 -2.38 -0.06 0.00 -1.16 0.00 0.00 32.46 29.16 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 -1.78 0.05 0.31 0.55 2.47 -0.55 -5.01 114.94 110.99 1wg7 s ASN 136 Ca 0.44 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1wg7 s ASN 136 Cb 0.27 1.26 0.00 0.00 -1.45 0.00 0.00 41.25 41.33 1wg7 s ASN 136 CO -0.19 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.47 1wg7 n GLY 137 N 5.37 -0.62 3.13 1.21 0.00 -1.26 -4.90 105.19 108.11 1wg7 n GLY 137 Ca -0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1wg7 n GLY 137 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wg7 n ASP 138 N -3.40 -3.10 -1.58 1.61 -0.08 -1.26 -4.68 116.55 104.06 1wg7 n ASP 138 Ca 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1wg7 n ASP 138 Cb 0.00 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wg7 n SER 139 N 1.36 -7.01 -3.92 1.67 2.88 -1.26 -5.10 113.62 102.24 1wg7 n SER 139 Ca -0.00 0.98 -0.08 0.00 -1.33 0.00 0.00 58.87 58.43 1wg7 n SER 139 Cb 0.67 -3.82 -0.04 0.00 -0.75 0.00 0.00 64.21 60.27 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 -0.55 0.07 0.31 0.66 3.76 -1.26 -5.13 115.29 113.16 1wg7 s HIS 140 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 1wg7 s HIS 140 Cb 0.00 0.46 0.00 0.00 1.11 0.00 0.00 32.58 34.15 1wg7 s HIS 140 CO 0.00 -1.12 0.00 -1.91 -0.85 0.00 0.00 174.74 170.86 1wg7 n GLU 141 N -0.42 -2.04 -3.19 1.40 2.13 -1.26 -4.95 120.64 112.31 1wg7 n GLU 141 Ca -0.03 1.51 -0.02 0.00 0.66 0.00 0.00 57.16 59.28 1wg7 n GLU 141 Cb 0.60 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1wg7 n GLU 141 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wg7 n ASP 142 N -3.64 -6.57 -3.67 4.31 8.00 -1.26 -5.00 116.55 108.73 1wg7 n ASP 142 Ca -0.02 0.41 -0.08 0.00 0.71 0.00 0.00 54.79 55.81 1wg7 n ASP 142 Cb 0.44 -1.70 -0.02 0.00 -0.02 0.00 0.00 41.12 39.83 1wg7 n ASP 142 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1wg7 s ASP 143 N -1.04 -0.35 -1.01 -2.24 1.47 -1.26 -5.08 116.67 107.16 1wg7 s ASP 143 Ca 0.02 -0.32 -0.23 0.00 1.18 0.00 0.00 52.55 53.19 1wg7 s ASP 143 Cb -0.00 0.62 0.00 0.00 -0.34 0.00 0.00 42.92 43.20 1wg7 s ASP 143 CO 0.06 -1.09 1.70 -0.70 0.68 0.00 0.00 175.17 175.83 1wg7 s GLU 144 N -3.68 3.14 0.03 2.11 2.12 -1.26 -4.56 118.70 116.60 1wg7 s GLU 144 Ca 0.07 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.51 1wg7 s GLU 144 Cb -0.03 -5.25 -0.01 0.00 0.26 0.00 0.00 34.13 29.10 1wg7 s GLU 144 CO -0.02 -2.80 -0.07 0.45 -0.54 0.00 0.00 175.26 172.29 1wg7 n SER 145 N 11.24 1.15 0.00 -1.70 2.88 -1.26 -5.14 113.62 120.79 1wg7 n SER 145 Ca 0.38 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1wg7 n SER 145 Cb 0.49 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1wg7 n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 146 N 3.03 3.64 3.77 0.46 0.00 -1.26 -5.13 105.19 109.70 1wg7 n GLY 146 Ca -0.04 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.80 -0.14 0.38 1.61 0.04 -1.26 -5.09 135.00 128.72 1wg7 s PRO 147 Ca 0.00 -0.20 0.07 0.00 0.04 0.00 0.00 61.00 60.91 1wg7 s PRO 147 Cb 0.00 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 1wg7 s PRO 147 CO 0.00 -2.97 -0.00 -1.54 0.04 0.00 0.00 177.00 172.53 1wg7 s SER 148 N -4.38 3.54 -0.15 6.66 1.04 -1.26 -4.96 113.70 114.20 1wg7 s SER 148 Ca 0.72 -1.34 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 1wg7 s SER 148 Cb -0.07 -0.33 0.05 0.00 0.10 0.00 0.00 66.02 65.77 1wg7 s SER 148 CO 0.54 -0.43 0.07 -0.55 0.98 0.00 0.00 173.24 173.84 1wg7 s SER 149 N -3.64 2.23 0.00 7.02 0.15 -1.26 -5.14 113.70 113.05 1wg7 s SER 149 Ca 0.35 -0.51 0.18 0.00 0.70 0.00 0.00 55.95 56.67 1wg7 s SER 149 Cb 0.08 -0.33 1.08 0.00 -1.71 0.00 0.00 66.02 65.15 1wg7 s SER 149 CO 0.17 -0.31 1.48 0.61 1.20 0.00 0.00 173.24 176.39